smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003269 700221591 /nfs/dbraw/zinc/22/15/91/700221591.db2.gz WYWCTIUUEKDEIK-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003269 700221594 /nfs/dbraw/zinc/22/15/94/700221594.db2.gz WYWCTIUUEKDEIK-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003269 700221600 /nfs/dbraw/zinc/22/16/00/700221600.db2.gz WYWCTIUUEKDEIK-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO C[C@@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000195191829 713548735 /nfs/dbraw/zinc/54/87/35/713548735.db2.gz VSANCCDWPKZAOJ-FXAWDEMLSA-N 1 3 353.551 3.345 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905433 713613551 /nfs/dbraw/zinc/61/35/51/713613551.db2.gz FETORUJUQIYBKW-KURKYZTESA-N 1 3 353.551 3.391 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786942 713714237 /nfs/dbraw/zinc/71/42/37/713714237.db2.gz HUTLIRYEDRDRPH-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561487 713985151 /nfs/dbraw/zinc/98/51/51/713985151.db2.gz JFBXWUNDEMNZHH-RCCFBDPRSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561487 713985152 /nfs/dbraw/zinc/98/51/52/713985152.db2.gz JFBXWUNDEMNZHH-RCCFBDPRSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561487 713985153 /nfs/dbraw/zinc/98/51/53/713985153.db2.gz JFBXWUNDEMNZHH-RCCFBDPRSA-N 1 3 353.551 3.484 20 0 FGADHO OC1(C[NH2+]Cc2scnc2C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414520329 714005241 /nfs/dbraw/zinc/00/52/41/714005241.db2.gz CRWWCNZSNLFBKV-UHFFFAOYSA-N 1 3 357.523 3.137 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(F)ccc2s1 ZINC000617503932 714662769 /nfs/dbraw/zinc/66/27/69/714662769.db2.gz BFNYHGQDULYPJU-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(F)ccc2s1 ZINC000617503932 714662772 /nfs/dbraw/zinc/66/27/72/714662772.db2.gz BFNYHGQDULYPJU-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000643064127 718003604 /nfs/dbraw/zinc/00/36/04/718003604.db2.gz MBGCEWUTYLAMJZ-RHSMWYFYSA-N 1 3 365.905 3.141 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862290 715417506 /nfs/dbraw/zinc/41/75/06/715417506.db2.gz QNWTXQFPJPUNQO-INIZCTEOSA-N 1 3 368.363 3.436 20 0 FGADHO [NH3+]CCCOCCN[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000629535765 716304391 /nfs/dbraw/zinc/30/43/91/716304391.db2.gz FUPOYQOPDXNLTE-GOSISDBHSA-N 1 3 363.299 3.494 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000638067121 717406298 /nfs/dbraw/zinc/40/62/98/717406298.db2.gz AJWGZWBHLZCTAC-HUUCEWRRSA-N 1 3 371.428 3.186 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705340 718853079 /nfs/dbraw/zinc/85/30/79/718853079.db2.gz PJVKVXWEUVXDBU-RHSMWYFYSA-N 1 3 353.913 3.330 20 0 FGADHO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001164619301 719048890 /nfs/dbraw/zinc/04/88/90/719048890.db2.gz CLDHQQCPGGRZIT-GMAHTHKFSA-N 1 3 362.521 3.261 20 0 FGADHO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2[nH]cnc21 ZINC001164628841 719085928 /nfs/dbraw/zinc/08/59/28/719085928.db2.gz OZGWKNYTTLVPFQ-CABCVRRESA-N 1 3 368.872 3.107 20 0 FGADHO Clc1nnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2[nH]cnc21 ZINC001164628841 719085932 /nfs/dbraw/zinc/08/59/32/719085932.db2.gz OZGWKNYTTLVPFQ-CABCVRRESA-N 1 3 368.872 3.107 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655707772 719327975 /nfs/dbraw/zinc/32/79/75/719327975.db2.gz CNPPQEKZZBYPKV-FUHWJXTLSA-N 1 3 352.544 3.017 20 0 FGADHO Brc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536712 719667964 /nfs/dbraw/zinc/66/79/64/719667964.db2.gz OOXXJWQXWMQROJ-UHFFFAOYSA-N 1 3 357.292 3.023 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298690 720411958 /nfs/dbraw/zinc/41/19/58/720411958.db2.gz WUZRWQBVFGMARQ-YJBOKZPZSA-N 1 3 363.933 3.056 20 0 FGADHO CSc1ccc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666571114 720948920 /nfs/dbraw/zinc/94/89/20/720948920.db2.gz DXOXWVXCXQIAHL-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO CSc1ccc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666571114 720948922 /nfs/dbraw/zinc/94/89/22/720948922.db2.gz DXOXWVXCXQIAHL-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000666827345 720985444 /nfs/dbraw/zinc/98/54/44/720985444.db2.gz TXJVQRFFAIVWPH-AWEZNQCLSA-N 1 3 356.461 3.192 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000666827345 720985447 /nfs/dbraw/zinc/98/54/47/720985447.db2.gz TXJVQRFFAIVWPH-AWEZNQCLSA-N 1 3 356.461 3.192 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022098 721802699 /nfs/dbraw/zinc/80/26/99/721802699.db2.gz HVJMVHOHKZHALM-SXLOBPIMSA-N 1 3 365.525 3.280 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022098 721802702 /nfs/dbraw/zinc/80/27/02/721802702.db2.gz HVJMVHOHKZHALM-SXLOBPIMSA-N 1 3 365.525 3.280 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799996 722409747 /nfs/dbraw/zinc/40/97/47/722409747.db2.gz NVPSAQQPLOPGMH-IAGOWNOFSA-N 1 3 353.551 3.344 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccnc(Cl)c1 ZINC000750834104 722782561 /nfs/dbraw/zinc/78/25/61/722782561.db2.gz HEQKSWZIQFRAOA-UHFFFAOYSA-N 1 3 364.965 3.363 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000794836954 723548494 /nfs/dbraw/zinc/54/84/94/723548494.db2.gz QJXTWTJPIPTESW-CPFNUKBASA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000800373010 724188082 /nfs/dbraw/zinc/18/80/82/724188082.db2.gz GBYVRUFOZCJYFY-NVXWUHKLSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809717362 725262242 /nfs/dbraw/zinc/26/22/42/725262242.db2.gz GPIVIHPJELJDSK-HSFUPAIVSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000809717362 725262243 /nfs/dbraw/zinc/26/22/43/725262243.db2.gz GPIVIHPJELJDSK-HSFUPAIVSA-N 1 3 351.535 3.237 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817888908 727286886 /nfs/dbraw/zinc/28/68/86/727286886.db2.gz LEFXZZRPIWHYSI-GTNSWQLSSA-N 1 3 353.388 3.252 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894681 727287142 /nfs/dbraw/zinc/28/71/42/727287142.db2.gz PNSHEFSOJQZAJS-ZIAGYGMSSA-N 1 3 361.511 3.268 20 0 FGADHO C[C@@H]1CC2(CN1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431726 727311222 /nfs/dbraw/zinc/31/12/22/727311222.db2.gz RUVCJTLBLUFISE-CYBMUJFWSA-N 1 3 370.278 3.255 20 0 FGADHO CCCCN1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819044012 727341639 /nfs/dbraw/zinc/34/16/39/727341639.db2.gz XOJJIZXJFGPRCA-KRWDZBQOSA-N 1 3 355.320 3.337 20 0 FGADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363876 730611129 /nfs/dbraw/zinc/61/11/29/730611129.db2.gz HAWQMOGKNJKVSW-CYBMUJFWSA-N 1 3 355.404 3.108 20 0 FGADHO CC[N@H+](CCC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844314643 730702052 /nfs/dbraw/zinc/70/20/52/730702052.db2.gz FTLHKPFLJORTPO-IBGZPJMESA-N 1 3 351.535 3.050 20 0 FGADHO CC[N@@H+](CCC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844314643 730702060 /nfs/dbraw/zinc/70/20/60/730702060.db2.gz FTLHKPFLJORTPO-IBGZPJMESA-N 1 3 351.535 3.050 20 0 FGADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000846665418 730971865 /nfs/dbraw/zinc/97/18/65/730971865.db2.gz KCBYIBICIGGENI-HUUCEWRRSA-N 1 3 356.388 3.172 20 0 FGADHO C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)CC(F)(F)F ZINC000849117693 731231196 /nfs/dbraw/zinc/23/11/96/731231196.db2.gz QUNOASZXTQKSEF-AWEZNQCLSA-N 1 3 356.436 3.353 20 0 FGADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000850353492 731347126 /nfs/dbraw/zinc/34/71/26/731347126.db2.gz DQKHMVCTRPOFQY-ZDUSSCGKSA-N 1 3 372.344 3.003 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245274 732196246 /nfs/dbraw/zinc/19/62/46/732196246.db2.gz GANJOVQTHCVLPI-ADKAHSJRSA-N 1 3 353.551 3.391 20 0 FGADHO OCc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000858410862 732212112 /nfs/dbraw/zinc/21/21/12/732212112.db2.gz CRLYYYLWGDIQQS-MRXNPFEDSA-N 1 3 351.372 3.279 20 0 FGADHO OCc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000858410862 732212118 /nfs/dbraw/zinc/21/21/18/732212118.db2.gz CRLYYYLWGDIQQS-MRXNPFEDSA-N 1 3 351.372 3.279 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438038 733200802 /nfs/dbraw/zinc/20/08/02/733200802.db2.gz XWNVUKHBXGBUGK-KBPBESRZSA-N 1 3 367.456 3.154 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866231150 733327054 /nfs/dbraw/zinc/32/70/54/733327054.db2.gz QAROCEPYJURXDP-CQSZACIVSA-N 1 3 350.894 3.159 20 0 FGADHO CSc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247716 735744010 /nfs/dbraw/zinc/74/40/10/735744010.db2.gz SKIYSJPRAJIEEH-AWEZNQCLSA-N 1 3 353.495 3.299 20 0 FGADHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)CC1 ZINC000877684374 736704423 /nfs/dbraw/zinc/70/44/23/736704423.db2.gz OAKDGYGZALFSRW-UHFFFAOYSA-N 1 3 359.905 3.229 20 0 FGADHO CCC(CC)(NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878232891 736792824 /nfs/dbraw/zinc/79/28/24/736792824.db2.gz MPKMEZLQQVNAQW-UHFFFAOYSA-N 1 3 351.922 3.155 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697402 740033750 /nfs/dbraw/zinc/03/37/50/740033750.db2.gz SDCIYIYYIKOCHQ-MOPGFXCFSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697402 740033758 /nfs/dbraw/zinc/03/37/58/740033758.db2.gz SDCIYIYYIKOCHQ-MOPGFXCFSA-N 1 3 350.478 3.250 20 0 FGADHO C[C@]1(Br)C[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346555 742400632 /nfs/dbraw/zinc/40/06/32/742400632.db2.gz INVFNZSOFHJYQW-SJORKVTESA-N 1 3 352.320 3.057 20 0 FGADHO CCOP(=O)(CCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OCC ZINC000895555696 742426039 /nfs/dbraw/zinc/42/60/39/742426039.db2.gz AQHFYDOZPICALR-INIZCTEOSA-N 1 3 355.419 3.248 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338682 742670214 /nfs/dbraw/zinc/67/02/14/742670214.db2.gz WGLXNXHPVYYMQY-CYBMUJFWSA-N 1 3 352.906 3.161 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389123 759109032 /nfs/dbraw/zinc/10/90/32/759109032.db2.gz TULQCVQQAPDDND-GGBBIFEXSA-N 1 3 373.324 3.245 20 0 FGADHO [NH3+]CC[C@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491680 759131002 /nfs/dbraw/zinc/13/10/02/759131002.db2.gz MDCLTCJQGAWFIO-LBPRGKRZSA-N 1 3 350.260 3.275 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929948 759419595 /nfs/dbraw/zinc/41/95/95/759419595.db2.gz OBFFTFTVBGERGB-INIZCTEOSA-N 1 3 366.933 3.426 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929948 759419597 /nfs/dbraw/zinc/41/95/97/759419597.db2.gz OBFFTFTVBGERGB-INIZCTEOSA-N 1 3 366.933 3.426 20 0 FGADHO CCC[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038929 759434755 /nfs/dbraw/zinc/43/47/55/759434755.db2.gz HTCDVVMONRWYQI-MAUKXSAKSA-N 1 3 350.938 3.334 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925809288 759548454 /nfs/dbraw/zinc/54/84/54/759548454.db2.gz PKOAUPLBJZICOS-GOSISDBHSA-N 1 3 356.539 3.024 20 0 FGADHO CC(C)[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856370 759560286 /nfs/dbraw/zinc/56/02/86/759560286.db2.gz NNROULCSXNGHAO-RHSMWYFYSA-N 1 3 368.880 3.451 20 0 FGADHO CC[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855494 759560564 /nfs/dbraw/zinc/56/05/64/759560564.db2.gz KRHCZTPIJRYDDG-SWLSCSKDSA-N 1 3 354.853 3.205 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761492 764561113 /nfs/dbraw/zinc/56/11/13/764561113.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761492 764561118 /nfs/dbraw/zinc/56/11/18/764561118.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938716 766576558 /nfs/dbraw/zinc/57/65/58/766576558.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 1 3 367.965 3.174 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938716 766576563 /nfs/dbraw/zinc/57/65/63/766576563.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 1 3 367.965 3.174 20 0 FGADHO CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585830 /nfs/dbraw/zinc/58/58/30/505585830.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 1 3 352.526 3.474 20 0 FGADHO CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585833 /nfs/dbraw/zinc/58/58/33/505585833.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 1 3 352.526 3.474 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746314 505611697 /nfs/dbraw/zinc/61/16/97/505611697.db2.gz OCLJPIBLZNSBMI-XMSQKQJNSA-N 1 3 365.521 3.041 20 0 FGADHO COc1cccc(NC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570934331 505615202 /nfs/dbraw/zinc/61/52/02/505615202.db2.gz DADYNYQEXRHLCJ-UHFFFAOYSA-N 1 3 351.494 3.417 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000576932731 505627527 /nfs/dbraw/zinc/62/75/27/505627527.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000576932731 505627530 /nfs/dbraw/zinc/62/75/30/505627530.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CC1CCN([C@H](CNC(=O)c2ccccc2CC[NH3+])c2ccccc2)CC1 ZINC000568153317 505629133 /nfs/dbraw/zinc/62/91/33/505629133.db2.gz AHOVFAXXSQXUFO-JOCHJYFZSA-N 1 3 365.521 3.391 20 0 FGADHO C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145426 505672497 /nfs/dbraw/zinc/67/24/97/505672497.db2.gz CRDGWYZHUTYJNR-OAHLLOKOSA-N 1 3 357.464 3.425 20 0 FGADHO O[C@H](COc1cccc2ccccc21)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972318 493768239 /nfs/dbraw/zinc/76/82/39/493768239.db2.gz PSZNMJLXQVIXAW-NRFANRHFSA-N 1 3 368.521 3.387 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381581 505680655 /nfs/dbraw/zinc/68/06/55/505680655.db2.gz RANBQLFCHZHKNP-SJORKVTESA-N 1 3 362.514 3.446 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000081045659 493819917 /nfs/dbraw/zinc/81/99/17/493819917.db2.gz YIGBPVIMPNDSAU-GOSISDBHSA-N 1 3 357.542 3.449 20 0 FGADHO CC(C)N(C)CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000068484760 493828146 /nfs/dbraw/zinc/82/81/46/493828146.db2.gz YULSPDMJQCBOHO-UHFFFAOYSA-N 1 3 359.558 3.178 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC(C)CC1 ZINC000048828860 493848498 /nfs/dbraw/zinc/84/84/98/493848498.db2.gz ZSPCTTYEFIZBBV-UHFFFAOYSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC(C)CC1 ZINC000048828860 493848501 /nfs/dbraw/zinc/84/85/01/493848501.db2.gz ZSPCTTYEFIZBBV-UHFFFAOYSA-N 1 3 360.546 3.058 20 0 FGADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000069181269 493933500 /nfs/dbraw/zinc/93/35/00/493933500.db2.gz ANTQJAHXZHOCRT-GOSISDBHSA-N 1 3 357.523 3.377 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000050801638 493935364 /nfs/dbraw/zinc/93/53/64/493935364.db2.gz JFKMVVGPZMTJKL-UHFFFAOYSA-N 1 3 373.585 3.268 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000577270833 505698050 /nfs/dbraw/zinc/69/80/50/505698050.db2.gz MDHNPADKDKGGCI-RTBURBONSA-N 1 3 350.466 3.034 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000577270833 505698053 /nfs/dbraw/zinc/69/80/53/505698053.db2.gz MDHNPADKDKGGCI-RTBURBONSA-N 1 3 350.466 3.034 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000072504359 494187260 /nfs/dbraw/zinc/18/72/60/494187260.db2.gz DNMJADRBDOPPPI-ZWKOTPCHSA-N 1 3 374.529 3.108 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000054265453 494213518 /nfs/dbraw/zinc/21/35/18/494213518.db2.gz CFZXPXFNAFLZKD-UHFFFAOYSA-N 1 3 353.510 3.390 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cnc(C3CCCCC3)s2)CC1(C)C ZINC000568498281 505710165 /nfs/dbraw/zinc/71/01/65/505710165.db2.gz NAQZGCFPSPWFKD-UHFFFAOYSA-N 1 3 350.576 3.306 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000089215226 494274248 /nfs/dbraw/zinc/27/42/48/494274248.db2.gz YJMDFFBSIWGOOT-MRXNPFEDSA-N 1 3 373.522 3.052 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000066173621 494282745 /nfs/dbraw/zinc/28/27/45/494282745.db2.gz HEFHQSNKRPALHP-NRFANRHFSA-N 1 3 372.557 3.339 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701597 494345575 /nfs/dbraw/zinc/34/55/75/494345575.db2.gz KDTBYMINWJTBLG-SJCJKPOMSA-N 1 3 370.324 3.158 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000073724277 494418969 /nfs/dbraw/zinc/41/89/69/494418969.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000073724277 494418974 /nfs/dbraw/zinc/41/89/74/494418974.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038804 494432678 /nfs/dbraw/zinc/43/26/78/494432678.db2.gz UCKJGZCUEKJQJW-GOSISDBHSA-N 1 3 353.510 3.007 20 0 FGADHO CN1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000073923428 494450292 /nfs/dbraw/zinc/45/02/92/494450292.db2.gz WPEGGXWABCHCID-IEBWSBKVSA-N 1 3 363.933 3.181 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000073930634 494451017 /nfs/dbraw/zinc/45/10/17/494451017.db2.gz KWXPUHKMGWNVAQ-LJQANCHMSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005503 494454148 /nfs/dbraw/zinc/45/41/48/494454148.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005503 494454152 /nfs/dbraw/zinc/45/41/52/494454152.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000045814574 494465888 /nfs/dbraw/zinc/46/58/88/494465888.db2.gz XUWSEIVRFAPZDY-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000056343935 494490673 /nfs/dbraw/zinc/49/06/73/494490673.db2.gz CQMUBOZNIXMMMU-IBGZPJMESA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079939147 494552081 /nfs/dbraw/zinc/55/20/81/494552081.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079939147 494552084 /nfs/dbraw/zinc/55/20/84/494552084.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000056786426 494562465 /nfs/dbraw/zinc/56/24/65/494562465.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000056786426 494562470 /nfs/dbraw/zinc/56/24/70/494562470.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000067685625 494611227 /nfs/dbraw/zinc/61/12/27/494611227.db2.gz RLXCWQJFKRSKFT-IBGZPJMESA-N 1 3 372.557 3.202 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000067685625 494611234 /nfs/dbraw/zinc/61/12/34/494611234.db2.gz RLXCWQJFKRSKFT-IBGZPJMESA-N 1 3 372.557 3.202 20 0 FGADHO Cc1ccc(-c2ncc(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)s2)o1 ZINC000121152226 494618860 /nfs/dbraw/zinc/61/88/60/494618860.db2.gz DYWMTOXJCNQTKF-AWEZNQCLSA-N 1 3 363.527 3.236 20 0 FGADHO COc1cccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000121185370 494636379 /nfs/dbraw/zinc/63/63/79/494636379.db2.gz XSAJZDIRZAMSAE-SVMVAKDDSA-N 1 3 360.542 3.495 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000121219182 494653570 /nfs/dbraw/zinc/65/35/70/494653570.db2.gz MBHMNCVURAIKCZ-HZPDHXFCSA-N 1 3 355.473 3.212 20 0 FGADHO CCCn1nc(C)c(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587035 494676960 /nfs/dbraw/zinc/67/69/60/494676960.db2.gz IYVOYYOERBFRLJ-IRXDYDNUSA-N 1 3 362.562 3.231 20 0 FGADHO COc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000092587379 494677378 /nfs/dbraw/zinc/67/73/78/494677378.db2.gz UBMPVBFAMULBRU-IAGOWNOFSA-N 1 3 362.514 3.025 20 0 FGADHO C[S@](=O)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000080344584 494681634 /nfs/dbraw/zinc/68/16/34/494681634.db2.gz QWIJNTSWFVHSNX-AREMUKBSSA-N 1 3 372.534 3.188 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000067996638 494724967 /nfs/dbraw/zinc/72/49/67/494724967.db2.gz XRIYTWKQNQXVTO-KRWDZBQOSA-N 1 3 374.447 3.250 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000067996638 494724976 /nfs/dbraw/zinc/72/49/76/494724976.db2.gz XRIYTWKQNQXVTO-KRWDZBQOSA-N 1 3 374.447 3.250 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075329088 494732544 /nfs/dbraw/zinc/73/25/44/494732544.db2.gz CYGPJOUVRYKYMB-MRXNPFEDSA-N 1 3 357.498 3.298 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075329088 494732546 /nfs/dbraw/zinc/73/25/46/494732546.db2.gz CYGPJOUVRYKYMB-MRXNPFEDSA-N 1 3 357.498 3.298 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132227 494772433 /nfs/dbraw/zinc/77/24/33/494772433.db2.gz LBIDUUYRSMFGNJ-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494773998 /nfs/dbraw/zinc/77/39/98/494773998.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 1 3 351.498 3.024 20 0 FGADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494774002 /nfs/dbraw/zinc/77/40/02/494774002.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 1 3 351.498 3.024 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000075497399 494778047 /nfs/dbraw/zinc/77/80/47/494778047.db2.gz NHYXXJSSLWVAHV-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CN1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(CCc3ccc(F)cc3)CC1)C2 ZINC000126583112 494795154 /nfs/dbraw/zinc/79/51/54/494795154.db2.gz JYNPNEPPXDTNJV-FRIKZZABSA-N 1 3 359.533 3.438 20 0 FGADHO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)N1CCCCCC1 ZINC000126988036 494874003 /nfs/dbraw/zinc/87/40/03/494874003.db2.gz ZTDRYAMYZCBBDN-SFHVURJKSA-N 1 3 373.541 3.094 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132501620 494884443 /nfs/dbraw/zinc/88/44/43/494884443.db2.gz XGYVUVSAERXQGP-SFHVURJKSA-N 1 3 370.463 3.093 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000132594054 494897125 /nfs/dbraw/zinc/89/71/25/494897125.db2.gz KWZVHTVJGKGPJY-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093693409 494913830 /nfs/dbraw/zinc/91/38/30/494913830.db2.gz JMDYYLOFEDDLHY-FQEVSTJZSA-N 1 3 372.601 3.381 20 0 FGADHO CN(C)[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccco1 ZINC000132718935 494914315 /nfs/dbraw/zinc/91/43/15/494914315.db2.gz MBWCAXCXVWIXLJ-NRFANRHFSA-N 1 3 370.541 3.203 20 0 FGADHO CCOc1c(CNCC2(SC)CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000577564541 505752802 /nfs/dbraw/zinc/75/28/02/505752802.db2.gz LOXWSMLHMMVNQC-UHFFFAOYSA-N 1 3 368.591 3.163 20 0 FGADHO O=C(c1ccoc1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000133216425 494986337 /nfs/dbraw/zinc/98/63/37/494986337.db2.gz YGRXCINJGJQSQB-UHFFFAOYSA-N 1 3 359.514 3.271 20 0 FGADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000122728630 495022125 /nfs/dbraw/zinc/02/21/25/495022125.db2.gz OCJSKNMOBHIWPN-CQSZACIVSA-N 1 3 356.507 3.002 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401817 495126931 /nfs/dbraw/zinc/12/69/31/495126931.db2.gz GMPBOLXWQCHJOS-SJORKVTESA-N 1 3 363.521 3.445 20 0 FGADHO [NH3+][C@@H](CC(=O)NCC1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000119661516 495212474 /nfs/dbraw/zinc/21/24/74/495212474.db2.gz ZZKKBPORVUHUNX-NRFANRHFSA-N 1 3 369.484 3.244 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113622096 495322058 /nfs/dbraw/zinc/32/20/58/495322058.db2.gz QYJAKZSHQKXMHK-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113622096 495322060 /nfs/dbraw/zinc/32/20/60/495322060.db2.gz QYJAKZSHQKXMHK-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000105123955 495339250 /nfs/dbraw/zinc/33/92/50/495339250.db2.gz LRTPQVLKSMFAMO-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000105123955 495339254 /nfs/dbraw/zinc/33/92/54/495339254.db2.gz LRTPQVLKSMFAMO-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276428 495351852 /nfs/dbraw/zinc/35/18/52/495351852.db2.gz LMFCTLLGPOSNMW-NRFANRHFSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105276428 495351855 /nfs/dbraw/zinc/35/18/55/495351855.db2.gz LMFCTLLGPOSNMW-NRFANRHFSA-N 1 3 374.573 3.400 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1n1cccn1 ZINC000568785896 505776739 /nfs/dbraw/zinc/77/67/39/505776739.db2.gz LCVDUXZBYLEODU-HBMCJLEFSA-N 1 3 370.541 3.349 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1n1cccn1 ZINC000568785896 505776743 /nfs/dbraw/zinc/77/67/43/505776743.db2.gz LCVDUXZBYLEODU-HBMCJLEFSA-N 1 3 370.541 3.349 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834426 495433953 /nfs/dbraw/zinc/43/39/53/495433953.db2.gz LPFSORAUIUUCEY-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577749330 505784928 /nfs/dbraw/zinc/78/49/28/505784928.db2.gz YDBKTVYSVCZGAI-SXLOBPIMSA-N 1 3 357.542 3.093 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000131119297 495494688 /nfs/dbraw/zinc/49/46/88/495494688.db2.gz NKPNYJPQVVAQCX-UNMCSNQZSA-N 1 3 365.521 3.404 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534930 /nfs/dbraw/zinc/53/49/30/495534930.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534936 /nfs/dbraw/zinc/53/49/36/495534936.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000158594296 495545339 /nfs/dbraw/zinc/54/53/39/495545339.db2.gz CYBIOIVQUDFWQN-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC1 ZINC000170682918 495563347 /nfs/dbraw/zinc/56/33/47/495563347.db2.gz CIIQUUQRJVEPDJ-CQSZACIVSA-N 1 3 357.420 3.498 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+]1CCCC1 ZINC000170682918 495563352 /nfs/dbraw/zinc/56/33/52/495563352.db2.gz CIIQUUQRJVEPDJ-CQSZACIVSA-N 1 3 357.420 3.498 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154275498 495564861 /nfs/dbraw/zinc/56/48/61/495564861.db2.gz WEPWYLMPTMBDRG-DLBZAZTESA-N 1 3 360.571 3.406 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444062 495565533 /nfs/dbraw/zinc/56/55/33/495565533.db2.gz DDOJEGUDKUBSNE-PXNSSMCTSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444062 495565541 /nfs/dbraw/zinc/56/55/41/495565541.db2.gz DDOJEGUDKUBSNE-PXNSSMCTSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618843 495616810 /nfs/dbraw/zinc/61/68/10/495616810.db2.gz SQZKPFNKEMHJMJ-GJZGRUSLSA-N 1 3 351.922 3.368 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000158963264 495625992 /nfs/dbraw/zinc/62/59/92/495625992.db2.gz HGQZOIDVSCZPMR-QUCCMNQESA-N 1 3 364.530 3.134 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000158963264 495625994 /nfs/dbraw/zinc/62/59/94/495625994.db2.gz HGQZOIDVSCZPMR-QUCCMNQESA-N 1 3 364.530 3.134 20 0 FGADHO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000185680605 495676906 /nfs/dbraw/zinc/67/69/06/495676906.db2.gz BVOAFKKAHKCWBR-DLBZAZTESA-N 1 3 360.498 3.427 20 0 FGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869572 505797070 /nfs/dbraw/zinc/79/70/70/505797070.db2.gz UITIKFALLACQSP-OIISXLGYSA-N 1 3 369.431 3.056 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272974 495698910 /nfs/dbraw/zinc/69/89/10/495698910.db2.gz JZFYOBDDOSSVAY-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992348 495704764 /nfs/dbraw/zinc/70/47/64/495704764.db2.gz HTXQLBUSAVROQE-SFHVURJKSA-N 1 3 355.473 3.355 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)c1ccccc1)C1CCN(C)CC1 ZINC000151087975 495733464 /nfs/dbraw/zinc/73/34/64/495733464.db2.gz ANRHFZPXNFEOGM-NRFANRHFSA-N 1 3 367.537 3.083 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898514 495747593 /nfs/dbraw/zinc/74/75/93/495747593.db2.gz SMGDDNOCEPQUEO-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898514 495747599 /nfs/dbraw/zinc/74/75/99/495747599.db2.gz SMGDDNOCEPQUEO-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO O=C(CC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566951 505804399 /nfs/dbraw/zinc/80/43/99/505804399.db2.gz VROYIOJGPAUFRD-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO O=C(CCNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566951 505804400 /nfs/dbraw/zinc/80/44/00/505804400.db2.gz VROYIOJGPAUFRD-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO O=C(CCNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566951 505804402 /nfs/dbraw/zinc/80/44/02/505804402.db2.gz VROYIOJGPAUFRD-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO C[C@H](NCc1cccnc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151448981 495843148 /nfs/dbraw/zinc/84/31/48/495843148.db2.gz IHIDXCCWCYLGAN-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000176989495 495873746 /nfs/dbraw/zinc/87/37/46/495873746.db2.gz BFKVOTSHCXIEOC-UHFFFAOYSA-N 1 3 363.452 3.340 20 0 FGADHO c1ccc(CN2CCC([NH2+]CC3(N4CCCCC4)CCOCC3)CC2)cc1 ZINC000174379951 495934786 /nfs/dbraw/zinc/93/47/86/495934786.db2.gz KKQHWKFCTNNZHV-UHFFFAOYSA-N 1 3 371.569 3.276 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)CC[C@@H]2C)CC1 ZINC000174468524 495973770 /nfs/dbraw/zinc/97/37/70/495973770.db2.gz KZASVHWUGLJGDY-MJGOQNOKSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)cc1 ZINC000177206717 495976927 /nfs/dbraw/zinc/97/69/27/495976927.db2.gz UJACSLLHTSUDBD-CQSZACIVSA-N 1 3 354.336 3.126 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600678 496009213 /nfs/dbraw/zinc/00/92/13/496009213.db2.gz DCFJHTIRBJIYOA-CRAIPNDOSA-N 1 3 351.922 3.169 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnn(C(C)C)c3)CC2)c1 ZINC000171840080 496058727 /nfs/dbraw/zinc/05/87/27/496058727.db2.gz SEJYCENOIQSYDD-UHFFFAOYSA-N 1 3 369.557 3.464 20 0 FGADHO Cc1ncsc1CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177484495 496080698 /nfs/dbraw/zinc/08/06/98/496080698.db2.gz WQDMEWOUKGIANK-HOTGVXAUSA-N 1 3 351.560 3.205 20 0 FGADHO CN(C)C(=O)[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000172084697 496159305 /nfs/dbraw/zinc/15/93/05/496159305.db2.gz OGPPWAWQNREDMM-QFIPXVFZSA-N 1 3 365.521 3.318 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000161629986 496210833 /nfs/dbraw/zinc/21/08/33/496210833.db2.gz WOALXMLFMNDIBY-FUHWJXTLSA-N 1 3 372.557 3.258 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000180985589 496229769 /nfs/dbraw/zinc/22/97/69/496229769.db2.gz ZCUDCVUGTBEUBW-QFIPXVFZSA-N 1 3 364.489 3.209 20 0 FGADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000180985589 496229776 /nfs/dbraw/zinc/22/97/76/496229776.db2.gz ZCUDCVUGTBEUBW-QFIPXVFZSA-N 1 3 364.489 3.209 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303454 496330782 /nfs/dbraw/zinc/33/07/82/496330782.db2.gz VBGDDDSDUMFXMN-WIYYLYMNSA-N 1 3 372.557 3.212 20 0 FGADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000178261295 496391465 /nfs/dbraw/zinc/39/14/65/496391465.db2.gz WMQBGPADZHDBHX-KRWDZBQOSA-N 1 3 366.509 3.489 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417945 /nfs/dbraw/zinc/41/79/45/496417945.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417950 /nfs/dbraw/zinc/41/79/50/496417950.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417954 /nfs/dbraw/zinc/41/79/54/496417954.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417961 /nfs/dbraw/zinc/41/79/61/496417961.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 1 3 366.933 3.195 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(F)cc2C)CC1 ZINC000181558002 496445656 /nfs/dbraw/zinc/44/56/56/496445656.db2.gz ZFLQMOUQPGELLU-UHFFFAOYSA-N 1 3 363.521 3.194 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000175630811 496474056 /nfs/dbraw/zinc/47/40/56/496474056.db2.gz KBVYHNYITUYBBH-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219431 496483468 /nfs/dbraw/zinc/48/34/68/496483468.db2.gz NCVOCKZDCSRQAS-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219431 496483471 /nfs/dbraw/zinc/48/34/71/496483471.db2.gz NCVOCKZDCSRQAS-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219431 496483475 /nfs/dbraw/zinc/48/34/75/496483475.db2.gz NCVOCKZDCSRQAS-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574750334 505847381 /nfs/dbraw/zinc/84/73/81/505847381.db2.gz OXUKERNCBWLJPD-DBXWQHBBSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574750334 505847385 /nfs/dbraw/zinc/84/73/85/505847385.db2.gz OXUKERNCBWLJPD-DBXWQHBBSA-N 1 3 374.550 3.469 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3NCCc4ccccc43)ccc21 ZINC000569083640 505848112 /nfs/dbraw/zinc/84/81/12/505848112.db2.gz HBVXJKWCMKQYTO-LEWJYISDSA-N 1 3 364.493 3.244 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCC2 ZINC000181707652 496511393 /nfs/dbraw/zinc/51/13/93/496511393.db2.gz JVPCDIOHDOFWLP-NHCUHLMSSA-N 1 3 358.526 3.081 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628388 496518341 /nfs/dbraw/zinc/51/83/41/496518341.db2.gz KBPQNAKBWKUUOZ-IBGZPJMESA-N 1 3 360.546 3.492 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628388 496518345 /nfs/dbraw/zinc/51/83/45/496518345.db2.gz KBPQNAKBWKUUOZ-IBGZPJMESA-N 1 3 360.546 3.492 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCS2 ZINC000187750568 496556420 /nfs/dbraw/zinc/55/64/20/496556420.db2.gz LKCYBOLYAFQALF-IBGZPJMESA-N 1 3 363.571 3.238 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770638 496564906 /nfs/dbraw/zinc/56/49/06/496564906.db2.gz YLSASIPPLAKKQR-VQIMIIECSA-N 1 3 363.571 3.238 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912557 496582994 /nfs/dbraw/zinc/58/29/94/496582994.db2.gz TYJXLLRORKNTAO-SJORKVTESA-N 1 3 352.544 3.253 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912557 496582999 /nfs/dbraw/zinc/58/29/99/496582999.db2.gz TYJXLLRORKNTAO-SJORKVTESA-N 1 3 352.544 3.253 20 0 FGADHO CC1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCN(Cc2ccccc2)CC1 ZINC000578066036 505853430 /nfs/dbraw/zinc/85/34/30/505853430.db2.gz BTRLDLKSQZEMCR-OAQYLSRUSA-N 1 3 369.553 3.279 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000181960454 496613923 /nfs/dbraw/zinc/61/39/23/496613923.db2.gz VKVUNIZREPQPIK-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO C[C@@H](N[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000182054121 496652239 /nfs/dbraw/zinc/65/22/39/496652239.db2.gz XVGIDGCSTIRONA-LQWHRVPQSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000182054121 496652243 /nfs/dbraw/zinc/65/22/43/496652243.db2.gz XVGIDGCSTIRONA-LQWHRVPQSA-N 1 3 351.494 3.116 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000182101256 496670231 /nfs/dbraw/zinc/67/02/31/496670231.db2.gz HHSXXUIHFWEWCM-GOSISDBHSA-N 1 3 372.557 3.246 20 0 FGADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165885383 496672027 /nfs/dbraw/zinc/67/20/27/496672027.db2.gz OMVXPZGKKGMLGW-IBGZPJMESA-N 1 3 363.571 3.148 20 0 FGADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165885383 496672030 /nfs/dbraw/zinc/67/20/30/496672030.db2.gz OMVXPZGKKGMLGW-IBGZPJMESA-N 1 3 363.571 3.148 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147474 496678158 /nfs/dbraw/zinc/67/81/58/496678158.db2.gz NLBFGUNKTLZAHL-IRLDBZIGSA-N 1 3 359.558 3.162 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176100968 496682956 /nfs/dbraw/zinc/68/29/56/496682956.db2.gz YURUXXHLPVLDOG-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176100968 496682958 /nfs/dbraw/zinc/68/29/58/496682958.db2.gz YURUXXHLPVLDOG-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000166375511 496685124 /nfs/dbraw/zinc/68/51/24/496685124.db2.gz JPDQFTWDMSDFSN-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158143 496696888 /nfs/dbraw/zinc/69/68/88/496696888.db2.gz PDFBQKLNRGBOAU-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546604 496702983 /nfs/dbraw/zinc/70/29/83/496702983.db2.gz BQUKQVOTBIUDBL-LVCYWYKZSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000168706732 496712246 /nfs/dbraw/zinc/71/22/46/496712246.db2.gz ZVZSKLIPLNJNEK-RCZSKKKRSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000168706732 496712250 /nfs/dbraw/zinc/71/22/50/496712250.db2.gz ZVZSKLIPLNJNEK-RCZSKKKRSA-N 1 3 365.521 3.303 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182274104 496724816 /nfs/dbraw/zinc/72/48/16/496724816.db2.gz SQRCCZXJMJQQMV-AOMKIAJQSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182274104 496724819 /nfs/dbraw/zinc/72/48/19/496724819.db2.gz SQRCCZXJMJQQMV-AOMKIAJQSA-N 1 3 367.493 3.062 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357619 496737022 /nfs/dbraw/zinc/73/70/22/496737022.db2.gz YAJOTFGOHSRSRH-FGZHOGPDSA-N 1 3 358.526 3.333 20 0 FGADHO Cc1nccnc1[C@@H](C)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000188303070 496747000 /nfs/dbraw/zinc/74/70/00/496747000.db2.gz RMHQLWSWKKKGQC-QGZVFWFLSA-N 1 3 354.498 3.153 20 0 FGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194925820 496762037 /nfs/dbraw/zinc/76/20/37/496762037.db2.gz JNXAGLSVMZSFOK-KRWDZBQOSA-N 1 3 367.493 3.069 20 0 FGADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000188375482 496768837 /nfs/dbraw/zinc/76/88/37/496768837.db2.gz SDSXCZMVDOZKIL-HXUWFJFHSA-N 1 3 359.514 3.110 20 0 FGADHO C[C@@H]1C[C@H](NCc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268751000 496773486 /nfs/dbraw/zinc/77/34/86/496773486.db2.gz HRNLSBPDPVAETF-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@H](NCc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268751000 496773492 /nfs/dbraw/zinc/77/34/92/496773492.db2.gz HRNLSBPDPVAETF-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000273342310 496778763 /nfs/dbraw/zinc/77/87/63/496778763.db2.gz AQIGHNXFCRKAFD-RXVVDRJESA-N 1 3 372.557 3.195 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380742 496788891 /nfs/dbraw/zinc/78/88/91/496788891.db2.gz IBRCIZOCDJJWFR-ROUUACIJSA-N 1 3 354.560 3.257 20 0 FGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268946373 496830964 /nfs/dbraw/zinc/83/09/64/496830964.db2.gz BEJVTJZGYOAWRX-ZDUSSCGKSA-N 1 3 363.502 3.365 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962068 496836008 /nfs/dbraw/zinc/83/60/08/496836008.db2.gz XOKKZMSTAPIUNA-VOQZNFBZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962068 496836011 /nfs/dbraw/zinc/83/60/11/496836011.db2.gz XOKKZMSTAPIUNA-VOQZNFBZSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000268988772 496843524 /nfs/dbraw/zinc/84/35/24/496843524.db2.gz LWZDRVZLCLLJAQ-NQIIRXRSSA-N 1 3 356.510 3.444 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247368144 496845400 /nfs/dbraw/zinc/84/54/00/496845400.db2.gz OZGCEEPQXLMEGO-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247368144 496845403 /nfs/dbraw/zinc/84/54/03/496845403.db2.gz OZGCEEPQXLMEGO-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000247398046 496850538 /nfs/dbraw/zinc/85/05/38/496850538.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000247398046 496850543 /nfs/dbraw/zinc/85/05/43/496850543.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 1 3 372.557 3.164 20 0 FGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111488 496873192 /nfs/dbraw/zinc/87/31/92/496873192.db2.gz IYKUHFKQBFOMIB-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111488 496873195 /nfs/dbraw/zinc/87/31/95/496873195.db2.gz IYKUHFKQBFOMIB-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO CCCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195342312 496895754 /nfs/dbraw/zinc/89/57/54/496895754.db2.gz SEBZKBSSRUKIJD-UHFFFAOYSA-N 1 3 358.530 3.319 20 0 FGADHO CSc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195342567 496896893 /nfs/dbraw/zinc/89/68/93/496896893.db2.gz RGPIITRZFXBLKH-UHFFFAOYSA-N 1 3 362.543 3.089 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269516802 496962906 /nfs/dbraw/zinc/96/29/06/496962906.db2.gz QNMQPFBRHRXJAI-HXUWFJFHSA-N 1 3 366.509 3.166 20 0 FGADHO C[NH+](C)CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000264812711 496990247 /nfs/dbraw/zinc/99/02/47/496990247.db2.gz BXXCYLBLMZSKQF-UHFFFAOYSA-N 1 3 351.292 3.271 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393255 496992562 /nfs/dbraw/zinc/99/25/62/496992562.db2.gz DSTWPSHZINTRRL-FBBABVLZSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393255 496992563 /nfs/dbraw/zinc/99/25/63/496992563.db2.gz DSTWPSHZINTRRL-FBBABVLZSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000192122555 497002251 /nfs/dbraw/zinc/00/22/51/497002251.db2.gz IYVFNRPZEKXMST-RTBURBONSA-N 1 3 353.510 3.178 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248456965 497017479 /nfs/dbraw/zinc/01/74/79/497017479.db2.gz SQRCCZXJMJQQMV-OPAMFIHVSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248456965 497017481 /nfs/dbraw/zinc/01/74/81/497017481.db2.gz SQRCCZXJMJQQMV-OPAMFIHVSA-N 1 3 367.493 3.062 20 0 FGADHO Cc1ccc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)ccc2n1 ZINC000189386620 497102796 /nfs/dbraw/zinc/10/27/96/497102796.db2.gz MQUSRRXLNWGBDA-FGZHOGPDSA-N 1 3 353.510 3.401 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000248828669 497112595 /nfs/dbraw/zinc/11/25/95/497112595.db2.gz KYCGOZJJIXMIQK-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000248828669 497112597 /nfs/dbraw/zinc/11/25/97/497112597.db2.gz KYCGOZJJIXMIQK-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cccc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000248828669 497112600 /nfs/dbraw/zinc/11/26/00/497112600.db2.gz KYCGOZJJIXMIQK-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO CC(C)C[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000236681109 497131925 /nfs/dbraw/zinc/13/19/25/497131925.db2.gz OAJWPYYYGOATRE-NRFANRHFSA-N 1 3 359.558 3.211 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236791275 497146148 /nfs/dbraw/zinc/14/61/48/497146148.db2.gz ANQPZCJLAPSWDM-GOSISDBHSA-N 1 3 371.447 3.075 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000574949076 505889249 /nfs/dbraw/zinc/88/92/49/505889249.db2.gz GQCANDHXEMNFBS-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000574949076 505889254 /nfs/dbraw/zinc/88/92/54/505889254.db2.gz GQCANDHXEMNFBS-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO COC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249169625 497177840 /nfs/dbraw/zinc/17/78/40/497177840.db2.gz APGJQGGMMYPFKC-PGRDOPGGSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249169625 497177847 /nfs/dbraw/zinc/17/78/47/497177847.db2.gz APGJQGGMMYPFKC-PGRDOPGGSA-N 1 3 360.542 3.450 20 0 FGADHO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274905871 497196088 /nfs/dbraw/zinc/19/60/88/497196088.db2.gz MDWWYBIXORAJJE-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO COc1ccc(CC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000192728665 497196759 /nfs/dbraw/zinc/19/67/59/497196759.db2.gz PGCGEZNVJGVUQR-UHFFFAOYSA-N 1 3 373.585 3.366 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393338 497197139 /nfs/dbraw/zinc/19/71/39/497197139.db2.gz SCLRCRBVANOLMM-FGTMMUONSA-N 1 3 356.432 3.464 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1Cl ZINC000237197212 497203276 /nfs/dbraw/zinc/20/32/76/497203276.db2.gz BHSQSBPNQXQTSQ-KRWDZBQOSA-N 1 3 361.873 3.309 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274961394 497206541 /nfs/dbraw/zinc/20/65/41/497206541.db2.gz WSGGYQVNTZRKAU-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961394 497206547 /nfs/dbraw/zinc/20/65/47/497206547.db2.gz WSGGYQVNTZRKAU-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961394 497206550 /nfs/dbraw/zinc/20/65/50/497206550.db2.gz WSGGYQVNTZRKAU-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269005 497213391 /nfs/dbraw/zinc/21/33/91/497213391.db2.gz UEGFUGIRHZZXIB-OTYNDTSQSA-N 1 3 355.526 3.030 20 0 FGADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1OC ZINC000192786407 497213910 /nfs/dbraw/zinc/21/39/10/497213910.db2.gz ZTKOROHVRXIAOF-SFHVURJKSA-N 1 3 363.546 3.079 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000192790426 497215139 /nfs/dbraw/zinc/21/51/39/497215139.db2.gz FEYSQYPWBARGKD-HXUWFJFHSA-N 1 3 358.574 3.354 20 0 FGADHO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574963126 505892193 /nfs/dbraw/zinc/89/21/93/505892193.db2.gz ZXPMNIPBCRAIMU-TYPHKJRUSA-N 1 3 363.505 3.292 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000237600151 497261292 /nfs/dbraw/zinc/26/12/92/497261292.db2.gz WDAHXUXCTGIKTC-GJZGRUSLSA-N 1 3 367.921 3.245 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237600223 497261661 /nfs/dbraw/zinc/26/16/61/497261661.db2.gz HKAAOGSQNLHJSW-QZTJIDSGSA-N 1 3 357.542 3.354 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237671681 497274055 /nfs/dbraw/zinc/27/40/55/497274055.db2.gz JNOALMZWHSKYBZ-AVRDEDQJSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237671681 497274061 /nfs/dbraw/zinc/27/40/61/497274061.db2.gz JNOALMZWHSKYBZ-AVRDEDQJSA-N 1 3 365.521 3.277 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)[C@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237718145 497281136 /nfs/dbraw/zinc/28/11/36/497281136.db2.gz GMTXIJLOBSLNIJ-UZLBHIALSA-N 1 3 355.482 3.210 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753516 497287629 /nfs/dbraw/zinc/28/76/29/497287629.db2.gz WVKAOYFRBJDFLA-IBGZPJMESA-N 1 3 373.516 3.028 20 0 FGADHO [NH3+][C@H](CCC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000237918263 497313872 /nfs/dbraw/zinc/31/38/72/497313872.db2.gz GWQWTCASMSREDI-OAQYLSRUSA-N 1 3 351.494 3.031 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408027 497391960 /nfs/dbraw/zinc/39/19/60/497391960.db2.gz FFUIKDPLJVZFBU-SIKLNZKXSA-N 1 3 371.569 3.491 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550187 497411310 /nfs/dbraw/zinc/41/13/10/497411310.db2.gz CBJZRYVRKBAFKE-RHSMWYFYSA-N 1 3 355.320 3.193 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000271665976 497413116 /nfs/dbraw/zinc/41/31/16/497413116.db2.gz FHUPEFMNJQMZOI-MRXNPFEDSA-N 1 3 356.482 3.425 20 0 FGADHO C[C@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728555 497414924 /nfs/dbraw/zinc/41/49/24/497414924.db2.gz ZOTCEWDBMAQDMQ-VMXMFDLUSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728555 497414927 /nfs/dbraw/zinc/41/49/27/497414927.db2.gz ZOTCEWDBMAQDMQ-VMXMFDLUSA-N 1 3 368.525 3.283 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758315 497445586 /nfs/dbraw/zinc/44/55/86/497445586.db2.gz FQUKMYIFAUHTDG-ICSRJNTNSA-N 1 3 357.542 3.064 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCS2 ZINC000276200192 497519346 /nfs/dbraw/zinc/51/93/46/497519346.db2.gz YOQZBVIQYGISIY-QYZOEREBSA-N 1 3 362.539 3.200 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307508 497540561 /nfs/dbraw/zinc/54/05/61/497540561.db2.gz YCHANNRWTKALRP-ZBFHGGJFSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307508 497540564 /nfs/dbraw/zinc/54/05/64/497540564.db2.gz YCHANNRWTKALRP-ZBFHGGJFSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000262644802 497590040 /nfs/dbraw/zinc/59/00/40/497590040.db2.gz NEKRLOBZYJXFNF-IIBYNOLFSA-N 1 3 366.509 3.467 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262676513 497598012 /nfs/dbraw/zinc/59/80/12/497598012.db2.gz SOVBVZNYXKSMGC-NJVDNQLDSA-N 1 3 369.553 3.419 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000572229117 505920038 /nfs/dbraw/zinc/92/00/38/505920038.db2.gz CRBQSPWGPZENHZ-QEJZJMRPSA-N 1 3 367.287 3.140 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000578354813 505921538 /nfs/dbraw/zinc/92/15/38/505921538.db2.gz HHPJISDTUJNCDZ-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565376 497664125 /nfs/dbraw/zinc/66/41/25/497664125.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565376 497664128 /nfs/dbraw/zinc/66/41/28/497664128.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000263263616 497744498 /nfs/dbraw/zinc/74/44/98/497744498.db2.gz GVKBUPPPUAPQCX-KRWDZBQOSA-N 1 3 371.456 3.014 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000246514665 497760317 /nfs/dbraw/zinc/76/03/17/497760317.db2.gz XEMWTYFLWUBNHA-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000246514665 497760321 /nfs/dbraw/zinc/76/03/21/497760321.db2.gz XEMWTYFLWUBNHA-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1noc(C2CCC([NH2+]CC3CCN(c4ccncc4)CC3)CC2)n1 ZINC000292044723 497853545 /nfs/dbraw/zinc/85/35/45/497853545.db2.gz FMEXOHOFOCMGLQ-UHFFFAOYSA-N 1 3 355.486 3.305 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000292058433 497860338 /nfs/dbraw/zinc/86/03/38/497860338.db2.gz JXAGBKOJJRCGTM-QAPCUYQASA-N 1 3 371.447 3.075 20 0 FGADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c2ccccc21 ZINC000575214176 505943691 /nfs/dbraw/zinc/94/36/91/505943691.db2.gz YRMXVTAGDRVWOE-HNNXBMFYSA-N 1 3 369.484 3.373 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462523 505945540 /nfs/dbraw/zinc/94/55/40/505945540.db2.gz PJJUUFARCUZQNX-QHCPKHFHSA-N 1 3 371.569 3.140 20 0 FGADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000581340094 505965229 /nfs/dbraw/zinc/96/52/29/505965229.db2.gz DOUBVKZKGPCQPH-YPAWHYETSA-N 1 3 352.526 3.243 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342333 498112676 /nfs/dbraw/zinc/11/26/76/498112676.db2.gz XCBIKTZSPBJKNV-RBUKOAKNSA-N 1 3 359.514 3.361 20 0 FGADHO CCOc1cc2nccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2cc1OCC ZINC000301471470 498124240 /nfs/dbraw/zinc/12/42/40/498124240.db2.gz TWDLUYOJMBLEGA-INIZCTEOSA-N 1 3 353.466 3.483 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633188 505985511 /nfs/dbraw/zinc/98/55/11/505985511.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633188 505985512 /nfs/dbraw/zinc/98/55/12/505985512.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 1 3 372.557 3.071 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293031215 498241784 /nfs/dbraw/zinc/24/17/84/498241784.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 1 3 365.905 3.095 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293031215 498241789 /nfs/dbraw/zinc/24/17/89/498241789.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 1 3 365.905 3.095 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028783 498271741 /nfs/dbraw/zinc/27/17/41/498271741.db2.gz JAOVTHJKGFQEEA-WBADGQHESA-N 1 3 372.553 3.054 20 0 FGADHO OC1CC[NH+](CCCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286030016 498272030 /nfs/dbraw/zinc/27/20/30/498272030.db2.gz KCPMTBKTEHDHFP-GOSISDBHSA-N 1 3 372.431 3.473 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696806 498298888 /nfs/dbraw/zinc/29/88/88/498298888.db2.gz FKJIFQMYQZATLC-DAYGRLMNSA-N 1 3 363.477 3.078 20 0 FGADHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248430 498320776 /nfs/dbraw/zinc/32/07/76/498320776.db2.gz BLIHVSUSWYHTDJ-JXFKEZNVSA-N 1 3 360.498 3.015 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200877 498322835 /nfs/dbraw/zinc/32/28/35/498322835.db2.gz XYFASAARHMUKSC-HSZRJFAPSA-N 1 3 371.569 3.085 20 0 FGADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200877 498322827 /nfs/dbraw/zinc/32/28/27/498322827.db2.gz XYFASAARHMUKSC-HSZRJFAPSA-N 1 3 371.569 3.085 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811164 506021854 /nfs/dbraw/zinc/02/18/54/506021854.db2.gz NUVDQCDXAHRXCR-ZYOFANERSA-N 1 3 365.521 3.337 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000286334120 498366262 /nfs/dbraw/zinc/36/62/62/498366262.db2.gz XZLBCMVQSKLAPY-KRWDZBQOSA-N 1 3 362.481 3.230 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000569846272 506029841 /nfs/dbraw/zinc/02/98/41/506029841.db2.gz HQDQXWGNNBYNQP-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720321 498422797 /nfs/dbraw/zinc/42/27/97/498422797.db2.gz XWDBPLWJUKMTAD-SUBGPWMZSA-N 1 3 361.555 3.168 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000578860257 506038795 /nfs/dbraw/zinc/03/87/95/506038795.db2.gz OTCMSMNNJFLCTC-QGZVFWFLSA-N 1 3 354.922 3.070 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000362217459 498477155 /nfs/dbraw/zinc/47/71/55/498477155.db2.gz HZXLLQKATPNFFA-NFBKMPQASA-N 1 3 373.585 3.376 20 0 FGADHO COc1cc([C@@H](C)NCCCCC[NH+]2CCCC2)ccc1S(C)(=O)=O ZINC000293755475 498477782 /nfs/dbraw/zinc/47/77/82/498477782.db2.gz QTBMFPBSYKHXJZ-MRXNPFEDSA-N 1 3 368.543 3.015 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000578904660 506049581 /nfs/dbraw/zinc/04/95/81/506049581.db2.gz QFLOIWJQFDJNKZ-NRFANRHFSA-N 1 3 373.516 3.126 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590168 498572549 /nfs/dbraw/zinc/57/25/49/498572549.db2.gz ALCKXIZHCXEBEJ-OAQYLSRUSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294116318 498593808 /nfs/dbraw/zinc/59/38/08/498593808.db2.gz GFUQGSKBRXNFNL-KRWDZBQOSA-N 1 3 354.494 3.070 20 0 FGADHO Brc1cccc(-c2c[nH]c(CNCC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000572822286 506060507 /nfs/dbraw/zinc/06/05/07/506060507.db2.gz JBCBCIXDXSFUSV-CYBMUJFWSA-N 1 3 363.303 3.319 20 0 FGADHO C[C@@H]1CN(C(=O)Nc2ccccc2CCN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000297918414 498608883 /nfs/dbraw/zinc/60/88/83/498608883.db2.gz UOVAUTPGEBZXGJ-KRWDZBQOSA-N 1 3 358.530 3.129 20 0 FGADHO C[C@@H]1CN(C(=O)Nc2ccccc2CCN(C)C)CC[N@H+](C2CCC2)C1 ZINC000297918414 498608891 /nfs/dbraw/zinc/60/88/91/498608891.db2.gz UOVAUTPGEBZXGJ-KRWDZBQOSA-N 1 3 358.530 3.129 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000363041678 498618570 /nfs/dbraw/zinc/61/85/70/498618570.db2.gz WXZDEXRNSPRJIU-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO [NH3+][C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)Cc1ccccc1 ZINC000578984088 506067694 /nfs/dbraw/zinc/06/76/94/506067694.db2.gz FBVWWCCRFJKGBH-IBGZPJMESA-N 1 3 371.550 3.036 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298278458 498719153 /nfs/dbraw/zinc/71/91/53/498719153.db2.gz GSAWPNRPGUNUAX-QGZVFWFLSA-N 1 3 374.529 3.287 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149330 506088125 /nfs/dbraw/zinc/08/81/25/506088125.db2.gz SZFMRPBTZBAQQI-KAGYGMCKSA-N 1 3 360.542 3.009 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149330 506088128 /nfs/dbraw/zinc/08/81/28/506088128.db2.gz SZFMRPBTZBAQQI-KAGYGMCKSA-N 1 3 360.542 3.009 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000283196869 498813219 /nfs/dbraw/zinc/81/32/19/498813219.db2.gz RCBNUKUCEYLADM-QKNQBKEWSA-N 1 3 369.553 3.391 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000363547135 498873560 /nfs/dbraw/zinc/87/35/60/498873560.db2.gz QTKOIRRPGUKLKI-GOSISDBHSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](N(C)Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091958 498906123 /nfs/dbraw/zinc/90/61/23/498906123.db2.gz FJTFAYAOTWRWNN-GJZGRUSLSA-N 1 3 354.510 3.008 20 0 FGADHO C[C@H](N(C)Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091958 498906127 /nfs/dbraw/zinc/90/61/27/498906127.db2.gz FJTFAYAOTWRWNN-GJZGRUSLSA-N 1 3 354.510 3.008 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186956 506112626 /nfs/dbraw/zinc/11/26/26/506112626.db2.gz SIPAETYRUJBBDL-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000367049253 499139645 /nfs/dbraw/zinc/13/96/45/499139645.db2.gz DJGBFNHMFHCEHG-URVUXULASA-N 1 3 363.590 3.072 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000367049253 499139647 /nfs/dbraw/zinc/13/96/47/499139647.db2.gz DJGBFNHMFHCEHG-URVUXULASA-N 1 3 363.590 3.072 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000369941286 499155021 /nfs/dbraw/zinc/15/50/21/499155021.db2.gz CVQPGOSFOFPHBZ-HXUWFJFHSA-N 1 3 366.509 3.026 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226196 /nfs/dbraw/zinc/22/61/96/499226196.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226198 /nfs/dbraw/zinc/22/61/98/499226198.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226200 /nfs/dbraw/zinc/22/62/00/499226200.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226202 /nfs/dbraw/zinc/22/62/02/499226202.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO Cc1nnc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)s1 ZINC000367832128 499236943 /nfs/dbraw/zinc/23/69/43/499236943.db2.gz PFHHLFYCZYNQFA-GOEBONIOSA-N 1 3 363.575 3.058 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638198 499238439 /nfs/dbraw/zinc/23/84/39/499238439.db2.gz WOHOUAHZHFRPKK-HOCLYGCPSA-N 1 3 353.457 3.107 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650508 499240008 /nfs/dbraw/zinc/24/00/08/499240008.db2.gz DSPPKHDRHGHFQP-UAFMIMERSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650508 499240009 /nfs/dbraw/zinc/24/00/09/499240009.db2.gz DSPPKHDRHGHFQP-UAFMIMERSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650508 499240011 /nfs/dbraw/zinc/24/00/11/499240011.db2.gz DSPPKHDRHGHFQP-UAFMIMERSA-N 1 3 363.546 3.142 20 0 FGADHO C[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000367907171 499243984 /nfs/dbraw/zinc/24/39/84/499243984.db2.gz SNRZVZOKARIQAO-MRXNPFEDSA-N 1 3 372.538 3.169 20 0 FGADHO Cn1cc(-c2ccccc2CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197490 506141425 /nfs/dbraw/zinc/14/14/25/506141425.db2.gz DBVQSQJAKYYGMK-FYYLOGMGSA-N 1 3 374.488 3.433 20 0 FGADHO C[C@@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213421 499274580 /nfs/dbraw/zinc/27/45/80/499274580.db2.gz KXGBIHJHQARMOY-QUCCMNQESA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000368213421 499274581 /nfs/dbraw/zinc/27/45/81/499274581.db2.gz KXGBIHJHQARMOY-QUCCMNQESA-N 1 3 365.521 3.389 20 0 FGADHO CN(Cc1csc(-c2ccco2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304140 499307672 /nfs/dbraw/zinc/30/76/72/499307672.db2.gz HIEXXXXHWASZPX-QGZVFWFLSA-N 1 3 360.527 3.003 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199288 506142035 /nfs/dbraw/zinc/14/20/35/506142035.db2.gz SCQGGGNTUOKMSV-ZWOKBUDYSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199288 506142039 /nfs/dbraw/zinc/14/20/39/506142039.db2.gz SCQGGGNTUOKMSV-ZWOKBUDYSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199288 506142043 /nfs/dbraw/zinc/14/20/43/506142043.db2.gz SCQGGGNTUOKMSV-ZWOKBUDYSA-N 1 3 368.949 3.489 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000368698632 499323421 /nfs/dbraw/zinc/32/34/21/499323421.db2.gz PVHKCFWXQYGAJD-QHCPKHFHSA-N 1 3 369.553 3.233 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000368698632 499323422 /nfs/dbraw/zinc/32/34/22/499323422.db2.gz PVHKCFWXQYGAJD-QHCPKHFHSA-N 1 3 369.553 3.233 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744011 499327491 /nfs/dbraw/zinc/32/74/91/499327491.db2.gz XGAWVZPGECJMBM-ACRUOGEOSA-N 1 3 372.557 3.043 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC(=O)Nc3ccc(F)cc32)cc1 ZINC000371725356 499359348 /nfs/dbraw/zinc/35/93/48/499359348.db2.gz CZPAFWIXDSZDNZ-LJQANCHMSA-N 1 3 371.456 3.329 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)c3cccc(C)c3)CC2)CC1 ZINC000573219135 506146763 /nfs/dbraw/zinc/14/67/63/506146763.db2.gz ZYIOIFDCYQTDMR-IBGZPJMESA-N 1 3 371.569 3.411 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375252859 499499449 /nfs/dbraw/zinc/49/94/49/499499449.db2.gz NPGUZHQRFUOQBL-UHFFFAOYSA-N 1 3 355.482 3.100 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CNCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660672 499542741 /nfs/dbraw/zinc/54/27/41/499542741.db2.gz CTACDIMKQYTZKU-AGHHOFFYSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CNCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660672 499542743 /nfs/dbraw/zinc/54/27/43/499542743.db2.gz CTACDIMKQYTZKU-AGHHOFFYSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383333878 499546571 /nfs/dbraw/zinc/54/65/71/499546571.db2.gz ZWZCVGYFYDKZCV-FBBABVLZSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333878 499546572 /nfs/dbraw/zinc/54/65/72/499546572.db2.gz ZWZCVGYFYDKZCV-FBBABVLZSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333878 499546574 /nfs/dbraw/zinc/54/65/74/499546574.db2.gz ZWZCVGYFYDKZCV-FBBABVLZSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCN1Cc1ccccc1 ZINC000375723821 499549068 /nfs/dbraw/zinc/54/90/68/499549068.db2.gz HTBRFAGSKQPBAB-JOCHJYFZSA-N 1 3 355.526 3.032 20 0 FGADHO C[N@H+](Cc1ccccc1)C1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842532 499561465 /nfs/dbraw/zinc/56/14/65/499561465.db2.gz VWXWGYZSQZPVOW-XVAXZDLZSA-N 1 3 369.484 3.385 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842532 499561467 /nfs/dbraw/zinc/56/14/67/499561467.db2.gz VWXWGYZSQZPVOW-XVAXZDLZSA-N 1 3 369.484 3.385 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000576420095 506153764 /nfs/dbraw/zinc/15/37/64/506153764.db2.gz IDONTSXDWLXJHE-NRFANRHFSA-N 1 3 372.557 3.018 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235687 499672720 /nfs/dbraw/zinc/67/27/20/499672720.db2.gz DAVASMGOHOQVDC-AZUAARDMSA-N 1 3 357.542 3.075 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235687 499672722 /nfs/dbraw/zinc/67/27/22/499672722.db2.gz DAVASMGOHOQVDC-AZUAARDMSA-N 1 3 357.542 3.075 20 0 FGADHO c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411261261 499718592 /nfs/dbraw/zinc/71/85/92/499718592.db2.gz POAJNKWJMGSQHP-QHCPKHFHSA-N 1 3 371.569 3.217 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740878 /nfs/dbraw/zinc/74/08/78/499740878.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740880 /nfs/dbraw/zinc/74/08/80/499740880.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 1 3 351.535 3.050 20 0 FGADHO CC(=O)N[C@H](C)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411552224 499754064 /nfs/dbraw/zinc/75/40/64/499754064.db2.gz OWNUKARLXZRLJO-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561805 499763265 /nfs/dbraw/zinc/76/32/65/499763265.db2.gz RNAQQPVIHMLLDL-NHCUHLMSSA-N 1 3 374.525 3.215 20 0 FGADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414181646 499766359 /nfs/dbraw/zinc/76/63/59/499766359.db2.gz CFGGJEIWVOIKQH-YADHBBJMSA-N 1 3 371.569 3.017 20 0 FGADHO CC(C)CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccoc1 ZINC000414186353 499767005 /nfs/dbraw/zinc/76/70/05/499767005.db2.gz HQPRLNVLCFUJLT-FQEVSTJZSA-N 1 3 363.546 3.143 20 0 FGADHO CN1CCC(C[NH2+][C@H](CC2CCC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000414193401 499767477 /nfs/dbraw/zinc/76/74/77/499767477.db2.gz MSIKDEYOHTWJQO-JOCHJYFZSA-N 1 3 371.569 3.304 20 0 FGADHO CCc1ccc([C@@H](CC)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414201675 499768085 /nfs/dbraw/zinc/76/80/85/499768085.db2.gz SXOVZWPSOUDIJJ-OAQYLSRUSA-N 1 3 359.558 3.086 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199810 499768183 /nfs/dbraw/zinc/76/81/83/499768183.db2.gz RLEQLFSENOIBMS-YADHBBJMSA-N 1 3 371.569 3.099 20 0 FGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204518 499768541 /nfs/dbraw/zinc/76/85/41/499768541.db2.gz WKKGKCVVWHOANI-NRFANRHFSA-N 1 3 371.569 3.067 20 0 FGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336535 499778586 /nfs/dbraw/zinc/77/85/86/499778586.db2.gz ZNFOINQDPLTCGA-LEWJYISDSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000414337880 499779021 /nfs/dbraw/zinc/77/90/21/499779021.db2.gz JWDSSESYRUIJJA-WOJBJXKFSA-N 1 3 357.542 3.298 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340311 499779183 /nfs/dbraw/zinc/77/91/83/499779183.db2.gz GVONVCFCXICUTL-CUWPLCDZSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340311 499779184 /nfs/dbraw/zinc/77/91/84/499779184.db2.gz GVONVCFCXICUTL-CUWPLCDZSA-N 1 3 363.521 3.131 20 0 FGADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414551254 499807270 /nfs/dbraw/zinc/80/72/70/499807270.db2.gz FBQICQQRPQIVPF-XMSQKQJNSA-N 1 3 369.553 3.466 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676142 499820062 /nfs/dbraw/zinc/82/00/62/499820062.db2.gz UUOUILVZRIZKEO-SFHVURJKSA-N 1 3 361.505 3.158 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676142 499820063 /nfs/dbraw/zinc/82/00/63/499820063.db2.gz UUOUILVZRIZKEO-SFHVURJKSA-N 1 3 361.505 3.158 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC000414715274 499822260 /nfs/dbraw/zinc/82/22/60/499822260.db2.gz WINLPDHVKFMZFG-NOBHMXGUSA-N 1 3 355.526 3.142 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC000414715274 499822262 /nfs/dbraw/zinc/82/22/62/499822262.db2.gz WINLPDHVKFMZFG-NOBHMXGUSA-N 1 3 355.526 3.142 20 0 FGADHO C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC[NH2+]1 ZINC000414762659 499827771 /nfs/dbraw/zinc/82/77/71/499827771.db2.gz WJWFTGBNFGFXCH-UONOGXRCSA-N 1 3 365.905 3.084 20 0 FGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412154604 499828638 /nfs/dbraw/zinc/82/86/38/499828638.db2.gz HSOXAUZLYYGREP-NRFANRHFSA-N 1 3 369.553 3.476 20 0 FGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412154604 499828639 /nfs/dbraw/zinc/82/86/39/499828639.db2.gz HSOXAUZLYYGREP-NRFANRHFSA-N 1 3 369.553 3.476 20 0 FGADHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777871 499829998 /nfs/dbraw/zinc/82/99/98/499829998.db2.gz INXVTPIHTLAQMO-LSDHHAIUSA-N 1 3 350.528 3.247 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414799159 499832597 /nfs/dbraw/zinc/83/25/97/499832597.db2.gz JUIFRUTYDDBAOS-WWGRRREGSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414799159 499832599 /nfs/dbraw/zinc/83/25/99/499832599.db2.gz JUIFRUTYDDBAOS-WWGRRREGSA-N 1 3 368.319 3.273 20 0 FGADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819779 499834455 /nfs/dbraw/zinc/83/44/55/499834455.db2.gz ZQNXVCJZUVKHTJ-LSDHHAIUSA-N 1 3 371.481 3.230 20 0 FGADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](C)C[NH3+])cc1 ZINC000414882355 499841031 /nfs/dbraw/zinc/84/10/31/499841031.db2.gz UDGVXLJETZFTKR-KRWDZBQOSA-N 1 3 364.493 3.291 20 0 FGADHO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H](N)C4CC4)cc3)nc12 ZINC000414892884 499842394 /nfs/dbraw/zinc/84/23/94/499842394.db2.gz QHKDBNOSWLBXDY-FQEVSTJZSA-N 1 3 350.466 3.049 20 0 FGADHO FC(F)(F)[C@H](CNCc1cc(-c2ccccc2)cs1)N1CC[NH2+]CC1 ZINC000414997719 499853270 /nfs/dbraw/zinc/85/32/70/499853270.db2.gz YXXBCWYTTOCBML-KRWDZBQOSA-N 1 3 369.456 3.341 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000415046104 499857903 /nfs/dbraw/zinc/85/79/03/499857903.db2.gz ZHLHCLSOCRCWCR-UHFFFAOYSA-N 1 3 364.537 3.476 20 0 FGADHO c1ccc([C@H]2C[C@@H](NCc3ccccc3CN3CCOCC3)CC[NH2+]2)cc1 ZINC000415077323 499861085 /nfs/dbraw/zinc/86/10/85/499861085.db2.gz HMSJZYNZFKLWQQ-XZOQPEGZSA-N 1 3 365.521 3.102 20 0 FGADHO Brc1cccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415080774 499861376 /nfs/dbraw/zinc/86/13/76/499861376.db2.gz MANCCIYOECGNII-BBWFWOEESA-N 1 3 353.304 3.338 20 0 FGADHO COc1ccccc1/C=C/CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415127046 499867545 /nfs/dbraw/zinc/86/75/45/499867545.db2.gz HTVIFGAJIASZEW-YRNVUSSQSA-N 1 3 365.521 3.292 20 0 FGADHO CCOc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000415139913 499869644 /nfs/dbraw/zinc/86/96/44/499869644.db2.gz XSGUCMJPGWGJOE-UHFFFAOYSA-N 1 3 353.510 3.168 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415306772 499885100 /nfs/dbraw/zinc/88/51/00/499885100.db2.gz IIYFMSSAWRFNJC-QGZVFWFLSA-N 1 3 362.518 3.190 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415561118 499902361 /nfs/dbraw/zinc/90/23/61/499902361.db2.gz GHGHVLWURRXYMN-UYAOXDASSA-N 1 3 358.530 3.177 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000415917880 499928283 /nfs/dbraw/zinc/92/82/83/499928283.db2.gz JTRBXJZDWFTEDG-OXQOHEQNSA-N 1 3 352.482 3.363 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000415933706 499930186 /nfs/dbraw/zinc/93/01/86/499930186.db2.gz QJAHTMJTEFPHBT-FQEVSTJZSA-N 1 3 370.497 3.229 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000415938094 499930822 /nfs/dbraw/zinc/93/08/22/499930822.db2.gz YEOFGOFNLWSHJA-UHFFFAOYSA-N 1 3 366.509 3.235 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943778 499931494 /nfs/dbraw/zinc/93/14/94/499931494.db2.gz MZABMAJTFAVKPJ-UWJYYQICSA-N 1 3 366.509 3.438 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)CC(C)C ZINC000415949451 499932420 /nfs/dbraw/zinc/93/24/20/499932420.db2.gz BUHPBELLMZPVQU-MRXNPFEDSA-N 1 3 364.509 3.349 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954628 499932890 /nfs/dbraw/zinc/93/28/90/499932890.db2.gz KXIYHIVVAAULAA-DYVFJYSZSA-N 1 3 374.460 3.315 20 0 FGADHO NCc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc(C(F)(F)F)c1 ZINC000415956583 499933398 /nfs/dbraw/zinc/93/33/98/499933398.db2.gz OEFJKWLXPLBQJU-UHFFFAOYSA-N 1 3 368.403 3.032 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960581 499933709 /nfs/dbraw/zinc/93/37/09/499933709.db2.gz QIIHHJOFAVGVIL-CJNGLKHVSA-N 1 3 370.419 3.112 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960581 499933710 /nfs/dbraw/zinc/93/37/10/499933710.db2.gz QIIHHJOFAVGVIL-CJNGLKHVSA-N 1 3 370.419 3.112 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415966023 499934493 /nfs/dbraw/zinc/93/44/93/499934493.db2.gz BIUVEDACIPBWFW-UHFFFAOYSA-N 1 3 362.518 3.000 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000415966381 499934789 /nfs/dbraw/zinc/93/47/89/499934789.db2.gz GLIUUOQXCIBIAA-STQMWFEESA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000415966381 499934790 /nfs/dbraw/zinc/93/47/90/499934790.db2.gz GLIUUOQXCIBIAA-STQMWFEESA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036115 499954010 /nfs/dbraw/zinc/95/40/10/499954010.db2.gz SOIGUUYJLSVIHP-JXFKEZNVSA-N 1 3 354.498 3.013 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000582243217 506167929 /nfs/dbraw/zinc/16/79/29/506167929.db2.gz FQFAELRTBUXHKM-KRWDZBQOSA-N 1 3 371.550 3.152 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000576478219 506168655 /nfs/dbraw/zinc/16/86/55/506168655.db2.gz SSPHKXGNCMHZPT-GCJKJVERSA-N 1 3 365.521 3.184 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000417173605 499995387 /nfs/dbraw/zinc/99/53/87/499995387.db2.gz HMMIUCJVZONWRM-LJQANCHMSA-N 1 3 360.546 3.372 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416252477 499995671 /nfs/dbraw/zinc/99/56/71/499995671.db2.gz OYKOLCPQTPEGGL-IBGZPJMESA-N 1 3 373.472 3.398 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220960 500009050 /nfs/dbraw/zinc/00/90/50/500009050.db2.gz ZHJPTJMFERSJJE-NHCUHLMSSA-N 1 3 372.557 3.291 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417296794 500032631 /nfs/dbraw/zinc/03/26/31/500032631.db2.gz MRASWAYLSLPUFK-OAHLLOKOSA-N 1 3 374.451 3.125 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C/c3ccccc3OC)CC2)CC1 ZINC000421382643 500033553 /nfs/dbraw/zinc/03/35/53/500033553.db2.gz YMIQQPYJUJXPEO-RMKNXTFCSA-N 1 3 357.542 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](CCO)CC1)C1CCN(C)CC1 ZINC000421399675 500037860 /nfs/dbraw/zinc/03/78/60/500037860.db2.gz QOZJULQRADXNSX-LJQANCHMSA-N 1 3 359.558 3.202 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](CCO)CC1)C1CCN(C)CC1 ZINC000421399675 500037863 /nfs/dbraw/zinc/03/78/63/500037863.db2.gz QOZJULQRADXNSX-LJQANCHMSA-N 1 3 359.558 3.202 20 0 FGADHO CC(C)(C)N1CC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000425418149 500098935 /nfs/dbraw/zinc/09/89/35/500098935.db2.gz ITOSRVXZDWWJLE-HXUWFJFHSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)(C)N1CC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000425418149 500098940 /nfs/dbraw/zinc/09/89/40/500098940.db2.gz ITOSRVXZDWWJLE-HXUWFJFHSA-N 1 3 369.553 3.374 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698909 500126324 /nfs/dbraw/zinc/12/63/24/500126324.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698909 500126326 /nfs/dbraw/zinc/12/63/26/500126326.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 1 3 359.558 3.084 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000416844450 500136312 /nfs/dbraw/zinc/13/63/12/500136312.db2.gz PZMWCNFCEUFZMI-PMACEKPBSA-N 1 3 354.498 3.069 20 0 FGADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414062786 500141947 /nfs/dbraw/zinc/14/19/47/500141947.db2.gz LUUFHCHORDIJNR-MRXNPFEDSA-N 1 3 358.555 3.487 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000414101264 500153602 /nfs/dbraw/zinc/15/36/02/500153602.db2.gz BQSWKWACLHKKOX-SLFFLAALSA-N 1 3 360.542 3.325 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417734326 500159145 /nfs/dbraw/zinc/15/91/45/500159145.db2.gz KAXQTWPTNVHKNX-LZLYRXPVSA-N 1 3 366.575 3.146 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417743842 500162514 /nfs/dbraw/zinc/16/25/14/500162514.db2.gz DHGJAMVBXPVYIH-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO CON1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421869849 500167072 /nfs/dbraw/zinc/16/70/72/500167072.db2.gz DRWMGXBKPMXVNK-KSEOMHKRSA-N 1 3 357.542 3.293 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000417803985 500175885 /nfs/dbraw/zinc/17/58/85/500175885.db2.gz YEFXSIVKSRZXKP-NXEWRWPSSA-N 1 3 358.530 3.124 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000417803985 500175889 /nfs/dbraw/zinc/17/58/89/500175889.db2.gz YEFXSIVKSRZXKP-NXEWRWPSSA-N 1 3 358.530 3.124 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002038 500180982 /nfs/dbraw/zinc/18/09/82/500180982.db2.gz FPUJGIAIVMDMGE-QZTJIDSGSA-N 1 3 360.527 3.130 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369245 506181131 /nfs/dbraw/zinc/18/11/31/506181131.db2.gz ADDVDBDAVQXSCV-PXNSSMCTSA-N 1 3 357.542 3.071 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000579470270 506182587 /nfs/dbraw/zinc/18/25/87/506182587.db2.gz CFJLPSMUIMLTTP-UWJYYQICSA-N 1 3 366.509 3.203 20 0 FGADHO COCC[C@@H](c1ccccc1)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958033 500216761 /nfs/dbraw/zinc/21/67/61/500216761.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 1 3 368.521 3.333 20 0 FGADHO COCC[C@@H](c1ccccc1)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958033 500216764 /nfs/dbraw/zinc/21/67/64/500216764.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 1 3 368.521 3.333 20 0 FGADHO CN1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218439 /nfs/dbraw/zinc/21/84/39/500218439.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 1 3 350.388 3.089 20 0 FGADHO CN1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218441 /nfs/dbraw/zinc/21/84/41/500218441.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 1 3 350.388 3.089 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418150633 500237805 /nfs/dbraw/zinc/23/78/05/500237805.db2.gz DCCGFGOVKNWBGL-PMACEKPBSA-N 1 3 374.573 3.302 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N(C)C ZINC000418186465 500244920 /nfs/dbraw/zinc/24/49/20/500244920.db2.gz RYRMMLXCMHUZMO-IWFBPKFRSA-N 1 3 372.557 3.017 20 0 FGADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430571865 500256408 /nfs/dbraw/zinc/25/64/08/500256408.db2.gz NFDSQJWCLLJYET-MSOLQXFVSA-N 1 3 371.569 3.453 20 0 FGADHO CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418343893 500265147 /nfs/dbraw/zinc/26/51/47/500265147.db2.gz RKKFDYPMJTXRBP-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642438 500265404 /nfs/dbraw/zinc/26/54/04/500265404.db2.gz KMFWWESXPSJEPK-JXFKEZNVSA-N 1 3 357.523 3.015 20 0 FGADHO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC(C[NH3+])CC2)cc1 ZINC000430642999 500265609 /nfs/dbraw/zinc/26/56/09/500265609.db2.gz WKFMNMCQTVETSN-FQEVSTJZSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418357101 500268129 /nfs/dbraw/zinc/26/81/29/500268129.db2.gz QMQWUCMSOPTWMU-MGPUTAFESA-N 1 3 354.498 3.329 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418365497 500268679 /nfs/dbraw/zinc/26/86/79/500268679.db2.gz XVMGETTVEHYUCR-UXHICEINSA-N 1 3 358.530 3.080 20 0 FGADHO CN(C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418384439 500270457 /nfs/dbraw/zinc/27/04/57/500270457.db2.gz OJEPUVSTHBVXGT-OAQYLSRUSA-N 1 3 372.557 3.200 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422590548 500279464 /nfs/dbraw/zinc/27/94/64/500279464.db2.gz LBTSAMKUCGJQGM-UHFFFAOYSA-N 1 3 368.525 3.342 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705927 500287965 /nfs/dbraw/zinc/28/79/65/500287965.db2.gz DBMZBCOEHMSXGU-YJBOKZPZSA-N 1 3 355.448 3.387 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731252 500291836 /nfs/dbraw/zinc/29/18/36/500291836.db2.gz GPUFHYGOINUUSX-IAOVAPTHSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(Br)cc2)CCC1 ZINC000422731252 500291840 /nfs/dbraw/zinc/29/18/40/500291840.db2.gz GPUFHYGOINUUSX-IAOVAPTHSA-N 1 3 367.331 3.213 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCCC1 ZINC000422749486 500293540 /nfs/dbraw/zinc/29/35/40/500293540.db2.gz ZKKWPSCLECKRGN-BWAGFHJFSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCC1 ZINC000422749486 500293542 /nfs/dbraw/zinc/29/35/42/500293542.db2.gz ZKKWPSCLECKRGN-BWAGFHJFSA-N 1 3 367.537 3.380 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753266 500294687 /nfs/dbraw/zinc/29/46/87/500294687.db2.gz IGJJOOCVXCCQFR-VWPQPMDRSA-N 1 3 351.494 3.135 20 0 FGADHO CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)N[C@H](C)c1ccccc1 ZINC000422760673 500295195 /nfs/dbraw/zinc/29/51/95/500295195.db2.gz LCPVAANTVSUYFO-DUXKGJEZSA-N 1 3 359.558 3.253 20 0 FGADHO CCC(CC)(CN[C@H](C1CC1)[C@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000422760673 500295196 /nfs/dbraw/zinc/29/51/96/500295196.db2.gz LCPVAANTVSUYFO-DUXKGJEZSA-N 1 3 359.558 3.253 20 0 FGADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760144 500295435 /nfs/dbraw/zinc/29/54/35/500295435.db2.gz GESGNLXGBJBWCI-LSTHTHJFSA-N 1 3 370.493 3.116 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801114 500300043 /nfs/dbraw/zinc/30/00/43/500300043.db2.gz DQRYWANNBFRTQS-IWMITWMQSA-N 1 3 358.457 3.247 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809070 500300266 /nfs/dbraw/zinc/30/02/66/500300266.db2.gz RFLAQHKQPWFGAH-IIBYNOLFSA-N 1 3 351.494 3.473 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810561 500301003 /nfs/dbraw/zinc/30/10/03/500301003.db2.gz NQJMWHOZQQUKID-JTPPEQCGSA-N 1 3 371.569 3.306 20 0 FGADHO CN(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820798 500302028 /nfs/dbraw/zinc/30/20/28/500302028.db2.gz SGCMLGKSARARIX-UNMCSNQZSA-N 1 3 369.484 3.103 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841079 500304643 /nfs/dbraw/zinc/30/46/43/500304643.db2.gz VDNHBYDQZFHJCD-ODVANORSSA-N 1 3 360.420 3.205 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842965 500304775 /nfs/dbraw/zinc/30/47/75/500304775.db2.gz ZXFDLVFXNDPSOC-XYVMCAHJSA-N 1 3 352.906 3.244 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000422851674 500306186 /nfs/dbraw/zinc/30/61/86/500306186.db2.gz PKSATYBRCLQWHR-YSTOQKLRSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869795 500307895 /nfs/dbraw/zinc/30/78/95/500307895.db2.gz APUIULLKPGTODI-HLAWJBBLSA-N 1 3 357.542 3.121 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422871124 500308116 /nfs/dbraw/zinc/30/81/16/500308116.db2.gz ZVFVZKDEXRFVPD-CJNGLKHVSA-N 1 3 353.388 3.071 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887303 500310692 /nfs/dbraw/zinc/31/06/92/500310692.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887303 500310694 /nfs/dbraw/zinc/31/06/94/500310694.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 1 3 371.569 3.021 20 0 FGADHO COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893391 500312261 /nfs/dbraw/zinc/31/22/61/500312261.db2.gz QIAXZTGQJWUZQG-CABCVRRESA-N 1 3 373.497 3.294 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899851 500312952 /nfs/dbraw/zinc/31/29/52/500312952.db2.gz PILJAQRVMPXMCS-RLFYNMQTSA-N 1 3 366.347 3.383 20 0 FGADHO COc1ccc(C2(CN[C@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905903 500314629 /nfs/dbraw/zinc/31/46/29/500314629.db2.gz ZSRTVTKXFKYVTQ-SFTDATJTSA-N 1 3 352.478 3.478 20 0 FGADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422909150 500315570 /nfs/dbraw/zinc/31/55/70/500315570.db2.gz NLWWBBZDVITTBW-OBNJBMLMSA-N 1 3 363.496 3.440 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918224 500316040 /nfs/dbraw/zinc/31/60/40/500316040.db2.gz HNYNPDVCYPHFPS-DYVFJYSZSA-N 1 3 354.441 3.327 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422930732 500318136 /nfs/dbraw/zinc/31/81/36/500318136.db2.gz VRVBLBOXWTVMBI-HQRMLTQVSA-N 1 3 361.530 3.150 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426769642 500318380 /nfs/dbraw/zinc/31/83/80/500318380.db2.gz KRXBXKRMJWRBJX-GIVPXCGWSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931357 500319051 /nfs/dbraw/zinc/31/90/51/500319051.db2.gz XJKRMSYNZIOBPV-KDOFPFPSSA-N 1 3 360.885 3.202 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000422933136 500319090 /nfs/dbraw/zinc/31/90/90/500319090.db2.gz HDGFKWPELDLZBY-ZWKOTPCHSA-N 1 3 369.509 3.270 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc2)cc1 ZINC000422933136 500319092 /nfs/dbraw/zinc/31/90/92/500319092.db2.gz HDGFKWPELDLZBY-ZWKOTPCHSA-N 1 3 369.509 3.270 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000426778685 500319553 /nfs/dbraw/zinc/31/95/53/500319553.db2.gz ZWOYJTORDGCGJP-HDICACEKSA-N 1 3 364.505 3.416 20 0 FGADHO Brc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951241 500322808 /nfs/dbraw/zinc/32/28/08/500322808.db2.gz ZYRGDRCATMVWQL-ZACQAIPSSA-N 1 3 353.304 3.338 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(OCCN[C@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422958254 500323841 /nfs/dbraw/zinc/32/38/41/500323841.db2.gz OUYXWEJDPGLOAS-HZPDHXFCSA-N 1 3 371.481 3.042 20 0 FGADHO FC(F)(F)c1cccnc1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423001160 500329515 /nfs/dbraw/zinc/32/95/15/500329515.db2.gz WTSXSUDASPSNHD-CWRNSKLLSA-N 1 3 357.420 3.380 20 0 FGADHO CN1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1c1ccccc1 ZINC000423010968 500330587 /nfs/dbraw/zinc/33/05/87/500330587.db2.gz HPXOMMYNVQHJKA-KKSHJYNMSA-N 1 3 363.505 3.277 20 0 FGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048768 500335269 /nfs/dbraw/zinc/33/52/69/500335269.db2.gz ITCPTGOZDKACFH-OLZOCXBDSA-N 1 3 357.420 3.025 20 0 FGADHO Fc1cc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047405 500335317 /nfs/dbraw/zinc/33/53/17/500335317.db2.gz VEEYHYFZOMAXHI-FXAWDEMLSA-N 1 3 362.395 3.492 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000431103789 500336462 /nfs/dbraw/zinc/33/64/62/500336462.db2.gz RFFFYAMWTXCOMV-SEWFVUKKSA-N 1 3 369.553 3.324 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2c(Cl)cccc2C1 ZINC000423062276 500337429 /nfs/dbraw/zinc/33/74/29/500337429.db2.gz SUCULUOWKFJOSN-IERDGZPVSA-N 1 3 357.929 3.246 20 0 FGADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063374 500337521 /nfs/dbraw/zinc/33/75/21/500337521.db2.gz WGAYSOSXCRAHEA-KZNAEPCWSA-N 1 3 368.443 3.484 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066640 500337778 /nfs/dbraw/zinc/33/77/78/500337778.db2.gz FBQABFZPNYPUDQ-GUSZCTEKSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066640 500337781 /nfs/dbraw/zinc/33/77/81/500337781.db2.gz FBQABFZPNYPUDQ-GUSZCTEKSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071246 500338714 /nfs/dbraw/zinc/33/87/14/500338714.db2.gz HOQYUOLCSNTJOS-VZJVUDMVSA-N 1 3 356.297 3.359 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101500 500342599 /nfs/dbraw/zinc/34/25/99/500342599.db2.gz IYLILIVNMLWSGZ-YADHBBJMSA-N 1 3 351.494 3.394 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423121330 500345227 /nfs/dbraw/zinc/34/52/27/500345227.db2.gz AUOJZCIWCMSVCD-YYJDGNJWSA-N 1 3 358.457 3.292 20 0 FGADHO C[C@@H]([NH2+]CCCNCc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423192422 500353307 /nfs/dbraw/zinc/35/33/07/500353307.db2.gz VGWQZPNBDNULGP-KNQAVFIVSA-N 1 3 352.526 3.062 20 0 FGADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(C)(C)N ZINC000423282643 500361302 /nfs/dbraw/zinc/36/13/02/500361302.db2.gz DBNSAULDMSWXRQ-VIFPVBQESA-N 1 3 351.800 3.403 20 0 FGADHO CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000427177689 500363527 /nfs/dbraw/zinc/36/35/27/500363527.db2.gz IIOKRKWQCZCOTI-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO Cc1nc(C(C)C)sc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399700 500370605 /nfs/dbraw/zinc/37/06/05/500370605.db2.gz WOLIPPHMLCIPCW-YPMHNXCESA-N 1 3 364.481 3.062 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423445864 500375513 /nfs/dbraw/zinc/37/55/13/500375513.db2.gz CEPSSHMCHGDVOZ-LSKLOWJMSA-N 1 3 370.324 3.291 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423476217 500377570 /nfs/dbraw/zinc/37/75/70/500377570.db2.gz QXODQAJTSUILJN-BSWAZPDLSA-N 1 3 360.395 3.218 20 0 FGADHO COc1ccsc1[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423544727 500383733 /nfs/dbraw/zinc/38/37/33/500383733.db2.gz CILJRZUWBCSGRD-MRXNPFEDSA-N 1 3 359.539 3.401 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000423547971 500384452 /nfs/dbraw/zinc/38/44/52/500384452.db2.gz QRHZRZWKYCOPTA-RFQIPJPRSA-N 1 3 353.304 3.496 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423738219 500398071 /nfs/dbraw/zinc/39/80/71/500398071.db2.gz FXZYKUMCUXUPHE-HSZRJFAPSA-N 1 3 365.521 3.028 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841894 500410478 /nfs/dbraw/zinc/41/04/78/500410478.db2.gz GKTYLVZRKLNNDP-JXFKEZNVSA-N 1 3 358.530 3.021 20 0 FGADHO CC[NH2+]CC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000420293366 500434889 /nfs/dbraw/zinc/43/48/89/500434889.db2.gz QWFXISIPNREIDQ-UHFFFAOYSA-N 1 3 359.283 3.289 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302548 500437858 /nfs/dbraw/zinc/43/78/58/500437858.db2.gz MOMSUPLVGUHOHZ-MJGOQNOKSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302548 500437862 /nfs/dbraw/zinc/43/78/62/500437862.db2.gz MOMSUPLVGUHOHZ-MJGOQNOKSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302548 500437864 /nfs/dbraw/zinc/43/78/64/500437864.db2.gz MOMSUPLVGUHOHZ-MJGOQNOKSA-N 1 3 354.450 3.303 20 0 FGADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420319976 500440720 /nfs/dbraw/zinc/44/07/20/500440720.db2.gz PUEKPSJIGNHHDJ-UXHICEINSA-N 1 3 359.539 3.307 20 0 FGADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323438 500441639 /nfs/dbraw/zinc/44/16/39/500441639.db2.gz UGPZMZGMPYMQTG-SFHVURJKSA-N 1 3 358.482 3.277 20 0 FGADHO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420323438 500441641 /nfs/dbraw/zinc/44/16/41/500441641.db2.gz UGPZMZGMPYMQTG-SFHVURJKSA-N 1 3 358.482 3.277 20 0 FGADHO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420323438 500441644 /nfs/dbraw/zinc/44/16/44/500441644.db2.gz UGPZMZGMPYMQTG-SFHVURJKSA-N 1 3 358.482 3.277 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323696 500441803 /nfs/dbraw/zinc/44/18/03/500441803.db2.gz GTRKEDXINFFDQM-CVEARBPZSA-N 1 3 356.466 3.431 20 0 FGADHO O=C(c1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1)N1CCCCC1 ZINC000420330739 500442438 /nfs/dbraw/zinc/44/24/38/500442438.db2.gz BPNQMKZSXCUMAR-NRFANRHFSA-N 1 3 355.526 3.277 20 0 FGADHO C[C@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400153 500455228 /nfs/dbraw/zinc/45/52/28/500455228.db2.gz IJEATHPHJPYQKL-RXVVDRJESA-N 1 3 365.521 3.199 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000424448920 500507023 /nfs/dbraw/zinc/50/70/23/500507023.db2.gz ZENFSYGAXGRNBO-UHFFFAOYSA-N 1 3 358.461 3.189 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCSc3ccccc3F)CC2)CC1 ZINC000420985808 500549058 /nfs/dbraw/zinc/54/90/58/500549058.db2.gz WYDBTMFWKAQMCK-UHFFFAOYSA-N 1 3 365.562 3.410 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCSc3ccccc3F)CC2)CC1 ZINC000420985808 500549061 /nfs/dbraw/zinc/54/90/61/500549061.db2.gz WYDBTMFWKAQMCK-UHFFFAOYSA-N 1 3 365.562 3.410 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCSc3ccccc3F)CC2)CC1 ZINC000420985808 500549065 /nfs/dbraw/zinc/54/90/65/500549065.db2.gz WYDBTMFWKAQMCK-UHFFFAOYSA-N 1 3 365.562 3.410 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3c(C)cccc3C)CC2)CC1 ZINC000421014382 500554395 /nfs/dbraw/zinc/55/43/95/500554395.db2.gz SDZJABWGKWJCCS-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3c(C)cccc3C)CC2)CC1 ZINC000421014382 500554397 /nfs/dbraw/zinc/55/43/97/500554397.db2.gz SDZJABWGKWJCCS-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCOc3c(C)cccc3C)CC2)CC1 ZINC000421014382 500554399 /nfs/dbraw/zinc/55/43/99/500554399.db2.gz SDZJABWGKWJCCS-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565556 /nfs/dbraw/zinc/56/55/56/500565556.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 1 3 369.553 3.135 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565558 /nfs/dbraw/zinc/56/55/58/500565558.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 1 3 369.553 3.135 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000442252087 500575951 /nfs/dbraw/zinc/57/59/51/500575951.db2.gz SHDGSZCVTPZBFW-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573494539 506204002 /nfs/dbraw/zinc/20/40/02/506204002.db2.gz PCYHMWSJPHVQIQ-NQIIRXRSSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573494539 506204004 /nfs/dbraw/zinc/20/40/04/506204004.db2.gz PCYHMWSJPHVQIQ-NQIIRXRSSA-N 1 3 357.542 3.060 20 0 FGADHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587433 /nfs/dbraw/zinc/58/74/33/500587433.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 1 3 366.509 3.173 20 0 FGADHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587436 /nfs/dbraw/zinc/58/74/36/500587436.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 1 3 366.509 3.173 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000437076625 500599360 /nfs/dbraw/zinc/59/93/60/500599360.db2.gz VPYIKTINHZBOTH-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076625 500599363 /nfs/dbraw/zinc/59/93/63/500599363.db2.gz VPYIKTINHZBOTH-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076625 500599367 /nfs/dbraw/zinc/59/93/67/500599367.db2.gz VPYIKTINHZBOTH-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442601961 500603407 /nfs/dbraw/zinc/60/34/07/500603407.db2.gz UUOWQRIOPHAFBS-UHFFFAOYSA-N 1 3 364.578 3.160 20 0 FGADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCOCC[NH+](C)C ZINC000447592855 500630482 /nfs/dbraw/zinc/63/04/82/500630482.db2.gz OCPIXIRDSMREPC-CYBMUJFWSA-N 1 3 351.491 3.486 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875955 500637913 /nfs/dbraw/zinc/63/79/13/500637913.db2.gz PYSMBNJDOKKGKT-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000447798468 500663458 /nfs/dbraw/zinc/66/34/58/500663458.db2.gz WWNAEJSSUXEYCT-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054784 500669623 /nfs/dbraw/zinc/66/96/23/500669623.db2.gz AEJUAKIJNCFECX-OKZBNKHCSA-N 1 3 357.542 3.192 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993108 500702830 /nfs/dbraw/zinc/70/28/30/500702830.db2.gz YLJZHBSRJNTUDQ-IBGZPJMESA-N 1 3 364.578 3.061 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170455 500749504 /nfs/dbraw/zinc/74/95/04/500749504.db2.gz XVEBOVNVMKCYQF-ZWKOTPCHSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170455 500749508 /nfs/dbraw/zinc/74/95/08/500749508.db2.gz XVEBOVNVMKCYQF-ZWKOTPCHSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170454 500749549 /nfs/dbraw/zinc/74/95/49/500749549.db2.gz XVEBOVNVMKCYQF-ROUUACIJSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170454 500749553 /nfs/dbraw/zinc/74/95/53/500749553.db2.gz XVEBOVNVMKCYQF-ROUUACIJSA-N 1 3 358.448 3.415 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000570710423 506214789 /nfs/dbraw/zinc/21/47/89/506214789.db2.gz ZTLIRGDSUWHROT-IAGOWNOFSA-N 1 3 354.922 3.098 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448551535 500771254 /nfs/dbraw/zinc/77/12/54/500771254.db2.gz VYQWRKJYTYKKHK-OAQYLSRUSA-N 1 3 351.494 3.015 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438347334 500774635 /nfs/dbraw/zinc/77/46/35/500774635.db2.gz SPGOMSIXFHKEMK-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438347334 500774638 /nfs/dbraw/zinc/77/46/38/500774638.db2.gz SPGOMSIXFHKEMK-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444024661 500794064 /nfs/dbraw/zinc/79/40/64/500794064.db2.gz XQWVJJKKSHFBEO-OTWHNJEPSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444024661 500794066 /nfs/dbraw/zinc/79/40/66/500794066.db2.gz XQWVJJKKSHFBEO-OTWHNJEPSA-N 1 3 357.542 3.371 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000438909485 500833967 /nfs/dbraw/zinc/83/39/67/500833967.db2.gz DESFMTGRTNOXPC-KZNAEPCWSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000438909485 500833970 /nfs/dbraw/zinc/83/39/70/500833970.db2.gz DESFMTGRTNOXPC-KZNAEPCWSA-N 1 3 363.571 3.035 20 0 FGADHO C[C@@H]1[NH2+]CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@H]1C ZINC000434673559 500877366 /nfs/dbraw/zinc/87/73/66/500877366.db2.gz QWJZBDKEDQMESD-ROUUACIJSA-N 1 3 351.494 3.141 20 0 FGADHO CSCC1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000449084012 500921262 /nfs/dbraw/zinc/92/12/62/500921262.db2.gz WDBZQQCVNICPJJ-UHFFFAOYSA-N 1 3 361.599 3.445 20 0 FGADHO COc1cccc(Sc2ccccc2C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000449166011 500939066 /nfs/dbraw/zinc/93/90/66/500939066.db2.gz YSSSBCHLBCEUDU-UHFFFAOYSA-N 1 3 372.534 3.393 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000607689583 506226375 /nfs/dbraw/zinc/22/63/75/506226375.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000607689583 506226379 /nfs/dbraw/zinc/22/63/79/506226379.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2ccccc2)CC1 ZINC000449253037 500958117 /nfs/dbraw/zinc/95/81/17/500958117.db2.gz WSLHJSLREHKHMD-WMZHIEFXSA-N 1 3 352.522 3.275 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000440155785 500982395 /nfs/dbraw/zinc/98/23/95/500982395.db2.gz BLRIYTVCZOTABV-NRFANRHFSA-N 1 3 355.526 3.306 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CCCc2ncccc2C)CC1 ZINC000449485130 501014188 /nfs/dbraw/zinc/01/41/88/501014188.db2.gz OZWQRPGOGDFBBD-UHFFFAOYSA-N 1 3 352.526 3.254 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000441185147 501099986 /nfs/dbraw/zinc/09/99/86/501099986.db2.gz YQWPFDHJGUPTJY-OAQYLSRUSA-N 1 3 371.569 3.322 20 0 FGADHO CC(C)N(Cc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395905 501111294 /nfs/dbraw/zinc/11/12/94/501111294.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 1 3 354.510 3.008 20 0 FGADHO CC(C)N(Cc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395905 501111297 /nfs/dbraw/zinc/11/12/97/501111297.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 1 3 354.510 3.008 20 0 FGADHO CC(C)N(Cc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395902 501111448 /nfs/dbraw/zinc/11/14/48/501111448.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 1 3 354.510 3.008 20 0 FGADHO CC(C)N(Cc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395902 501111450 /nfs/dbraw/zinc/11/14/50/501111450.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 1 3 354.510 3.008 20 0 FGADHO CCc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450403510 501113342 /nfs/dbraw/zinc/11/33/42/501113342.db2.gz AXIXWNOLUBVYOJ-UTKZUKDTSA-N 1 3 352.526 3.259 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000441367103 501128279 /nfs/dbraw/zinc/12/82/79/501128279.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 1 3 357.542 3.377 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000441367103 501128281 /nfs/dbraw/zinc/12/82/81/501128281.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 1 3 357.542 3.377 20 0 FGADHO Cc1ccc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)nc1 ZINC000436472240 501132904 /nfs/dbraw/zinc/13/29/04/501132904.db2.gz XWWCXPOCHPJBQM-UHFFFAOYSA-N 1 3 351.498 3.012 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CNCc2ccccc21 ZINC000582466767 506236943 /nfs/dbraw/zinc/23/69/43/506236943.db2.gz MDVYWTBGUOUFAB-QFIPXVFZSA-N 1 3 363.505 3.176 20 0 FGADHO C[C@](O)(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165141 501282345 /nfs/dbraw/zinc/28/23/45/501282345.db2.gz AYWSDXRCCICYDY-TVFCKZIOSA-N 1 3 356.432 3.333 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695584 501289365 /nfs/dbraw/zinc/28/93/65/501289365.db2.gz VDMGPXCVKIVVLN-ZWKOTPCHSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000457695584 501289367 /nfs/dbraw/zinc/28/93/67/501289367.db2.gz VDMGPXCVKIVVLN-ZWKOTPCHSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675180 506251217 /nfs/dbraw/zinc/25/12/17/506251217.db2.gz QUXOAKUJYJFQTL-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458338266 501423247 /nfs/dbraw/zinc/42/32/47/501423247.db2.gz HQQYUBHOZWDSBN-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000458416581 501439805 /nfs/dbraw/zinc/43/98/05/501439805.db2.gz QIXQCSUXIJMOEQ-WIYYLYMNSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000458416581 501439808 /nfs/dbraw/zinc/43/98/08/501439808.db2.gz QIXQCSUXIJMOEQ-WIYYLYMNSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458486395 501455520 /nfs/dbraw/zinc/45/55/20/501455520.db2.gz GPKCAXLTPUEFDT-QUCCMNQESA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508436 501462384 /nfs/dbraw/zinc/46/23/84/501462384.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508436 501462385 /nfs/dbraw/zinc/46/23/85/501462385.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000458670368 501503367 /nfs/dbraw/zinc/50/33/67/501503367.db2.gz WSEBSUSAMZWGPW-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585435 /nfs/dbraw/zinc/58/54/35/501585435.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585437 /nfs/dbraw/zinc/58/54/37/501585437.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619997 501593740 /nfs/dbraw/zinc/59/37/40/501593740.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619997 501593741 /nfs/dbraw/zinc/59/37/41/501593741.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000454619040 501594024 /nfs/dbraw/zinc/59/40/24/501594024.db2.gz ZXCOHTMTCXUKPV-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000454619040 501594025 /nfs/dbraw/zinc/59/40/25/501594025.db2.gz ZXCOHTMTCXUKPV-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1ccc(NC2CCN(c3ccncc3)CC2)c(OCC[NH+](C)C)c1 ZINC000459359722 501638745 /nfs/dbraw/zinc/63/87/45/501638745.db2.gz MNAYOGYGMPFODR-UHFFFAOYSA-N 1 3 354.498 3.411 20 0 FGADHO O=C1[C@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000459442401 501654380 /nfs/dbraw/zinc/65/43/80/501654380.db2.gz JLPFGAZDQWUOGC-LJQANCHMSA-N 1 3 370.884 3.099 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000454960858 501662442 /nfs/dbraw/zinc/66/24/42/501662442.db2.gz MLUBABZHHYVHMN-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO CCOc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(Cl)c1[O-] ZINC000459558404 501676409 /nfs/dbraw/zinc/67/64/09/501676409.db2.gz GCYOUMPKLOACBN-UHFFFAOYSA-N 1 3 358.935 3.361 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457431 501702060 /nfs/dbraw/zinc/70/20/60/501702060.db2.gz NQTKMAIVSPVTHG-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457431 501702062 /nfs/dbraw/zinc/70/20/62/501702062.db2.gz NQTKMAIVSPVTHG-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)N(C)C)cc1 ZINC000457477542 501706560 /nfs/dbraw/zinc/70/65/60/501706560.db2.gz LNDBYIKVXWLVRZ-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccsc1 ZINC000474291962 501777660 /nfs/dbraw/zinc/77/76/60/501777660.db2.gz MTNANBOXJNRJIA-FQEVSTJZSA-N 1 3 371.550 3.249 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000467384280 501783060 /nfs/dbraw/zinc/78/30/60/501783060.db2.gz WMMPVMWJZJFWGV-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000467384280 501783066 /nfs/dbraw/zinc/78/30/66/501783066.db2.gz WMMPVMWJZJFWGV-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000467384280 501783070 /nfs/dbraw/zinc/78/30/70/501783070.db2.gz WMMPVMWJZJFWGV-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477927256 501831120 /nfs/dbraw/zinc/83/11/20/501831120.db2.gz AEOLOMANOUYZOZ-HXUWFJFHSA-N 1 3 355.530 3.430 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477927256 501831127 /nfs/dbraw/zinc/83/11/27/501831127.db2.gz AEOLOMANOUYZOZ-HXUWFJFHSA-N 1 3 355.530 3.430 20 0 FGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000474464893 501845130 /nfs/dbraw/zinc/84/51/30/501845130.db2.gz VGDZSZTYXFPBHP-YADHBBJMSA-N 1 3 359.558 3.119 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000460526984 501849582 /nfs/dbraw/zinc/84/95/82/501849582.db2.gz RPJRZYIKPTUPED-UHFFFAOYSA-N 1 3 366.594 3.406 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@H+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501891999 /nfs/dbraw/zinc/89/19/99/501891999.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 1 3 366.505 3.146 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501892004 /nfs/dbraw/zinc/89/20/04/501892004.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 1 3 366.505 3.146 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018782 501931242 /nfs/dbraw/zinc/93/12/42/501931242.db2.gz BKFFWCVILANQLB-VDGAXYAQSA-N 1 3 362.514 3.245 20 0 FGADHO Cc1ccc(CCC[NH2+]Cc2ccccc2CN2CCC(O)CC2)cn1 ZINC000474801383 501957541 /nfs/dbraw/zinc/95/75/41/501957541.db2.gz RCPPKZRDOHGGLP-UHFFFAOYSA-N 1 3 353.510 3.069 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513530 502005900 /nfs/dbraw/zinc/00/59/00/502005900.db2.gz BZRBJHNWDPWXKA-TZIWHRDSSA-N 1 3 366.509 3.082 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513530 502005904 /nfs/dbraw/zinc/00/59/04/502005904.db2.gz BZRBJHNWDPWXKA-TZIWHRDSSA-N 1 3 366.509 3.082 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000478513530 502005906 /nfs/dbraw/zinc/00/59/06/502005906.db2.gz BZRBJHNWDPWXKA-TZIWHRDSSA-N 1 3 366.509 3.082 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000474966395 502006488 /nfs/dbraw/zinc/00/64/88/502006488.db2.gz KUPJPZBVZOLCHI-OAQYLSRUSA-N 1 3 373.585 3.472 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000475031665 502027638 /nfs/dbraw/zinc/02/76/38/502027638.db2.gz KFBSVGOLVLSORR-UEXGIBASSA-N 1 3 352.563 3.139 20 0 FGADHO CCSc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000486269978 502105711 /nfs/dbraw/zinc/10/57/11/502105711.db2.gz LFBOANMYOMFCHV-GOSISDBHSA-N 1 3 363.571 3.287 20 0 FGADHO CCSc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000486269978 502105719 /nfs/dbraw/zinc/10/57/19/502105719.db2.gz LFBOANMYOMFCHV-GOSISDBHSA-N 1 3 363.571 3.287 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471845413 502152268 /nfs/dbraw/zinc/15/22/68/502152268.db2.gz OGAOZJCNKWEMOG-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479217275 502195190 /nfs/dbraw/zinc/19/51/90/502195190.db2.gz ABDYKOAFHRDVIP-HXUWFJFHSA-N 1 3 357.473 3.026 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000472089873 502227683 /nfs/dbraw/zinc/22/76/83/502227683.db2.gz XFZQUFPMCJCLKH-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO OC1CC[NH+](CCCN[C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479367133 502236726 /nfs/dbraw/zinc/23/67/26/502236726.db2.gz VUHURRGZBGEWCZ-SFHVURJKSA-N 1 3 367.331 3.263 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000462014435 502274480 /nfs/dbraw/zinc/27/44/80/502274480.db2.gz ZIYFOZRMOPKIHV-INIZCTEOSA-N 1 3 368.953 3.142 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000462014435 502274484 /nfs/dbraw/zinc/27/44/84/502274484.db2.gz ZIYFOZRMOPKIHV-INIZCTEOSA-N 1 3 368.953 3.142 20 0 FGADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479537774 502289945 /nfs/dbraw/zinc/28/99/45/502289945.db2.gz AMNGZBVMGSQJRM-DZVQBONVSA-N 1 3 357.542 3.055 20 0 FGADHO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479680744 502341634 /nfs/dbraw/zinc/34/16/34/502341634.db2.gz YFTUEAOXZSBUIC-DYXWJJEUSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479680744 502341639 /nfs/dbraw/zinc/34/16/39/502341639.db2.gz YFTUEAOXZSBUIC-DYXWJJEUSA-N 1 3 374.573 3.489 20 0 FGADHO O=C(N[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693626 502347156 /nfs/dbraw/zinc/34/71/56/502347156.db2.gz XVBVLGIVXNSFGX-JOCHJYFZSA-N 1 3 365.521 3.424 20 0 FGADHO [NH3+]CCCN(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1 ZINC000479782099 502376477 /nfs/dbraw/zinc/37/64/77/502376477.db2.gz PDXARBUETLWHBJ-UHFFFAOYSA-N 1 3 359.901 3.197 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1)N(C)C ZINC000479790066 502378283 /nfs/dbraw/zinc/37/82/83/502378283.db2.gz QRZMWPFVTFSSQM-BJLQDIEVSA-N 1 3 360.546 3.160 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000469438429 502418968 /nfs/dbraw/zinc/41/89/68/502418968.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000469438429 502418973 /nfs/dbraw/zinc/41/89/73/502418973.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 1 3 372.557 3.069 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903803 502421667 /nfs/dbraw/zinc/42/16/67/502421667.db2.gz DUQJXICTHXBUGQ-PZJWPPBQSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903803 502421673 /nfs/dbraw/zinc/42/16/73/502421673.db2.gz DUQJXICTHXBUGQ-PZJWPPBQSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903799 502422386 /nfs/dbraw/zinc/42/23/86/502422386.db2.gz DUQJXICTHXBUGQ-CTNGQTDRSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903799 502422388 /nfs/dbraw/zinc/42/23/88/502422388.db2.gz DUQJXICTHXBUGQ-CTNGQTDRSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950162 502437281 /nfs/dbraw/zinc/43/72/81/502437281.db2.gz MBCBGCFRYRHKOY-TZIWHRDSSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950162 502437284 /nfs/dbraw/zinc/43/72/84/502437284.db2.gz MBCBGCFRYRHKOY-TZIWHRDSSA-N 1 3 374.573 3.156 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466038655 502462484 /nfs/dbraw/zinc/46/24/84/502462484.db2.gz KVUDQYVHOOWDSX-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475981 /nfs/dbraw/zinc/47/59/81/502475981.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475985 /nfs/dbraw/zinc/47/59/85/502475985.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 1 3 374.573 3.410 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466154551 502491452 /nfs/dbraw/zinc/49/14/52/502491452.db2.gz TUYKJWHISSBZFI-MTQWCTHYSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466154551 502491455 /nfs/dbraw/zinc/49/14/55/502491455.db2.gz TUYKJWHISSBZFI-MTQWCTHYSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747154 502520987 /nfs/dbraw/zinc/52/09/87/502520987.db2.gz FRCFCQJEBRCCEL-QKWWCAPFSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747154 502520989 /nfs/dbraw/zinc/52/09/89/502520989.db2.gz FRCFCQJEBRCCEL-QKWWCAPFSA-N 1 3 361.505 3.104 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000480334015 502540181 /nfs/dbraw/zinc/54/01/81/502540181.db2.gz MVVMUNVHBCKRHT-BDTNDASRSA-N 1 3 354.494 3.463 20 0 FGADHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462750002 502556529 /nfs/dbraw/zinc/55/65/29/502556529.db2.gz LKNQGNRBPSKCIK-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462750002 502556532 /nfs/dbraw/zinc/55/65/32/502556532.db2.gz LKNQGNRBPSKCIK-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462750001 502557124 /nfs/dbraw/zinc/55/71/24/502557124.db2.gz LKNQGNRBPSKCIK-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462750001 502557129 /nfs/dbraw/zinc/55/71/29/502557129.db2.gz LKNQGNRBPSKCIK-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000487893870 502559369 /nfs/dbraw/zinc/55/93/69/502559369.db2.gz ILHBWKATKOBIOF-QFIPXVFZSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000466421344 502566435 /nfs/dbraw/zinc/56/64/35/502566435.db2.gz DGIDSIDAPKSWMG-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCC(OCCC[NH3+])CC1)c1cccc(Br)c1 ZINC000469855738 502569631 /nfs/dbraw/zinc/56/96/31/502569631.db2.gz WXNGTGOZWDNFPM-CQSZACIVSA-N 1 3 355.320 3.382 20 0 FGADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865753 502574503 /nfs/dbraw/zinc/57/45/03/502574503.db2.gz YZCIZYNBHKKHID-VQIMIIECSA-N 1 3 363.933 3.037 20 0 FGADHO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000476900159 502615754 /nfs/dbraw/zinc/61/57/54/502615754.db2.gz FRYNLBLVVWLQJK-ICSRJNTNSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480621142 502624241 /nfs/dbraw/zinc/62/42/41/502624241.db2.gz IYKCGHWKXRXXGC-CVDCTZTESA-N 1 3 367.537 3.300 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000473730313 502689685 /nfs/dbraw/zinc/68/96/85/502689685.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 1 3 372.557 3.345 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000473730313 502689690 /nfs/dbraw/zinc/68/96/90/502689690.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 1 3 372.557 3.345 20 0 FGADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000488403758 502704716 /nfs/dbraw/zinc/70/47/16/502704716.db2.gz DFPLKRXFNPROOC-LJQANCHMSA-N 1 3 359.558 3.096 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418706 502709333 /nfs/dbraw/zinc/70/93/33/502709333.db2.gz FVMZDDZFEZYXMT-ROUUACIJSA-N 1 3 353.620 3.447 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000477223687 502712033 /nfs/dbraw/zinc/71/20/33/502712033.db2.gz QMKBGRCXRMWUQP-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000477223687 502712039 /nfs/dbraw/zinc/71/20/39/502712039.db2.gz QMKBGRCXRMWUQP-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000488513703 502737453 /nfs/dbraw/zinc/73/74/53/502737453.db2.gz HUMLGTQRSXHXNJ-GHTZIAJQSA-N 1 3 357.542 3.134 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481039585 502737940 /nfs/dbraw/zinc/73/79/40/502737940.db2.gz RRHVKWRBSZKEAU-TUFLPTIASA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470366102 502751819 /nfs/dbraw/zinc/75/18/19/502751819.db2.gz CFMQSJAGZFYPLD-MRXNPFEDSA-N 1 3 365.477 3.263 20 0 FGADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470366102 502751825 /nfs/dbraw/zinc/75/18/25/502751825.db2.gz CFMQSJAGZFYPLD-MRXNPFEDSA-N 1 3 365.477 3.263 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000481186001 502777108 /nfs/dbraw/zinc/77/71/08/502777108.db2.gz HCYZZDJVXRPCJF-SFGWALBWSA-N 1 3 371.569 3.490 20 0 FGADHO O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000481207513 502783387 /nfs/dbraw/zinc/78/33/87/502783387.db2.gz XBKLAZBRLSQSBN-SIKLNZKXSA-N 1 3 369.553 3.121 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC000470459760 502783578 /nfs/dbraw/zinc/78/35/78/502783578.db2.gz UKZBRSFQUQYFDV-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504877566 502817863 /nfs/dbraw/zinc/81/78/63/502817863.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504877566 502817865 /nfs/dbraw/zinc/81/78/65/502817865.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154933 502834258 /nfs/dbraw/zinc/83/42/58/502834258.db2.gz PEHXNPUWTOLXPS-HOCLYGCPSA-N 1 3 370.440 3.235 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000513037286 502836279 /nfs/dbraw/zinc/83/62/79/502836279.db2.gz ROHMPPSSADLCER-QFIPXVFZSA-N 1 3 370.585 3.279 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500823339 502871049 /nfs/dbraw/zinc/87/10/49/502871049.db2.gz AHIOIELRCWCHDR-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500823339 502871052 /nfs/dbraw/zinc/87/10/52/502871052.db2.gz AHIOIELRCWCHDR-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076222 502875079 /nfs/dbraw/zinc/87/50/79/502875079.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076222 502875081 /nfs/dbraw/zinc/87/50/81/502875081.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180983 502895216 /nfs/dbraw/zinc/89/52/16/502895216.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180983 502895219 /nfs/dbraw/zinc/89/52/19/502895219.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501017775 502913499 /nfs/dbraw/zinc/91/34/99/502913499.db2.gz BZXGKVYSBKBMIF-UHFFFAOYSA-N 1 3 353.466 3.217 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501017775 502913502 /nfs/dbraw/zinc/91/35/02/502913502.db2.gz BZXGKVYSBKBMIF-UHFFFAOYSA-N 1 3 353.466 3.217 20 0 FGADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025614 502915292 /nfs/dbraw/zinc/91/52/92/502915292.db2.gz ZKGGZFJGCSZWJR-CEXWTWQISA-N 1 3 372.557 3.123 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000501043681 502920479 /nfs/dbraw/zinc/92/04/79/502920479.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000501043681 502920480 /nfs/dbraw/zinc/92/04/80/502920480.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 1 3 352.567 3.205 20 0 FGADHO Cc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501046903 502921618 /nfs/dbraw/zinc/92/16/18/502921618.db2.gz CFTCKPHUAVVHEE-UHFFFAOYSA-N 1 3 352.482 3.177 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000501062267 502925443 /nfs/dbraw/zinc/92/54/43/502925443.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000501062267 502925448 /nfs/dbraw/zinc/92/54/48/502925448.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](C(=O)Nc1cccc(F)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064875 502926146 /nfs/dbraw/zinc/92/61/46/502926146.db2.gz ZPVGXTLHSGAACT-MRXNPFEDSA-N 1 3 370.472 3.396 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1)CC1CC1 ZINC000509562687 502935075 /nfs/dbraw/zinc/93/50/75/502935075.db2.gz YLQZSWXUTJGKCL-UHFFFAOYSA-N 1 3 371.525 3.352 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1)CC1CC1 ZINC000509562687 502935079 /nfs/dbraw/zinc/93/50/79/502935079.db2.gz YLQZSWXUTJGKCL-UHFFFAOYSA-N 1 3 371.525 3.352 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149873 502949573 /nfs/dbraw/zinc/94/95/73/502949573.db2.gz IFJZANOMJFIRAI-KZNAEPCWSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149873 502949576 /nfs/dbraw/zinc/94/95/76/502949576.db2.gz IFJZANOMJFIRAI-KZNAEPCWSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H]1C[C@@H](CCNCc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500017 502953098 /nfs/dbraw/zinc/95/30/98/502953098.db2.gz KKIBCKSVZKVCOA-NVXWUHKLSA-N 1 3 357.523 3.237 20 0 FGADHO C[C@@H]1C[C@@H](CCNCc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500017 502953099 /nfs/dbraw/zinc/95/30/99/502953099.db2.gz KKIBCKSVZKVCOA-NVXWUHKLSA-N 1 3 357.523 3.237 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C[C@@H](C)O1 ZINC000513505468 502955237 /nfs/dbraw/zinc/95/52/37/502955237.db2.gz KOGCAWJLYCMSIL-WOIUINJBSA-N 1 3 368.525 3.239 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N2CCN3CCC2CC3)CCCC1)c1ccccc1 ZINC000497438061 502959620 /nfs/dbraw/zinc/95/96/20/502959620.db2.gz KLPIPAHFKRDTPC-GOSISDBHSA-N 1 3 370.541 3.140 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516727 502976124 /nfs/dbraw/zinc/97/61/24/502976124.db2.gz TZAYOUXNGGUKQX-FPOVZHCZSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516727 502976125 /nfs/dbraw/zinc/97/61/25/502976125.db2.gz TZAYOUXNGGUKQX-FPOVZHCZSA-N 1 3 374.573 3.126 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000489632198 503001539 /nfs/dbraw/zinc/00/15/39/503001539.db2.gz GILHMELCEWYPKT-JOCHJYFZSA-N 1 3 368.521 3.270 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000489632198 503001544 /nfs/dbraw/zinc/00/15/44/503001544.db2.gz GILHMELCEWYPKT-JOCHJYFZSA-N 1 3 368.521 3.270 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000506016554 503029539 /nfs/dbraw/zinc/02/95/39/503029539.db2.gz IUMIERUYFLELGJ-XMSQKQJNSA-N 1 3 365.521 3.133 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000506016554 503029545 /nfs/dbraw/zinc/02/95/45/503029545.db2.gz IUMIERUYFLELGJ-XMSQKQJNSA-N 1 3 365.521 3.133 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028089 503072511 /nfs/dbraw/zinc/07/25/11/503072511.db2.gz ZOMSCIGTMKNWOR-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000501814031 503085691 /nfs/dbraw/zinc/08/56/91/503085691.db2.gz MOYRVVAKJFMOOS-OAQYLSRUSA-N 1 3 370.541 3.093 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093527 503085862 /nfs/dbraw/zinc/08/58/62/503085862.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093527 503085865 /nfs/dbraw/zinc/08/58/65/503085865.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093527 503085868 /nfs/dbraw/zinc/08/58/68/503085868.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093530 503086250 /nfs/dbraw/zinc/08/62/50/503086250.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093530 503086253 /nfs/dbraw/zinc/08/62/53/503086253.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093530 503086256 /nfs/dbraw/zinc/08/62/56/503086256.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)CC1 ZINC000514610974 503148782 /nfs/dbraw/zinc/14/87/82/503148782.db2.gz FIEQDTCRCKGYOT-UHFFFAOYSA-N 1 3 351.441 3.100 20 0 FGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000510701760 503175461 /nfs/dbraw/zinc/17/54/61/503175461.db2.gz INZZFQDTDGDVLL-OAHLLOKOSA-N 1 3 363.452 3.411 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180613 /nfs/dbraw/zinc/18/06/13/503180613.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180616 /nfs/dbraw/zinc/18/06/16/503180616.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 1 3 364.578 3.157 20 0 FGADHO COCC[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000502362648 503186964 /nfs/dbraw/zinc/18/69/64/503186964.db2.gz AMOKXAJLTKHUOM-IFMALSPDSA-N 1 3 359.558 3.384 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221630 /nfs/dbraw/zinc/22/16/30/503221630.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 1 3 371.569 3.383 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221633 /nfs/dbraw/zinc/22/16/33/503221633.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 1 3 371.569 3.383 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC(CC[NH+](C)C)CC1 ZINC000511509912 503334453 /nfs/dbraw/zinc/33/44/53/503334453.db2.gz SPULKPWGOOGWLV-UHFFFAOYSA-N 1 3 374.481 3.392 20 0 FGADHO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000499104959 503335191 /nfs/dbraw/zinc/33/51/91/503335191.db2.gz YMBIWNUGJHIBPK-LAUBAEHRSA-N 1 3 372.557 3.384 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000499141595 503342736 /nfs/dbraw/zinc/34/27/36/503342736.db2.gz MBFHOZRIDZYNHR-OAQYLSRUSA-N 1 3 372.557 3.259 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000515476797 503346434 /nfs/dbraw/zinc/34/64/34/503346434.db2.gz TZZLVXUTJARGJK-MPGHIAIKSA-N 1 3 350.478 3.301 20 0 FGADHO c1cc2c(cc1CN1CCC[C@@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490780 503348925 /nfs/dbraw/zinc/34/89/25/503348925.db2.gz SEXMLOLHIGBNAE-LJQANCHMSA-N 1 3 365.525 3.030 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000511648178 503362003 /nfs/dbraw/zinc/36/20/03/503362003.db2.gz LQRQNBWIBGZDOJ-OAQYLSRUSA-N 1 3 357.542 3.375 20 0 FGADHO CC[C@@H]1C[C@@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800226 503368334 /nfs/dbraw/zinc/36/83/34/503368334.db2.gz ZCACLNWRZLCOFZ-IZZBFERCSA-N 1 3 352.563 3.403 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000503302391 503386530 /nfs/dbraw/zinc/38/65/30/503386530.db2.gz MCUWMMDKBFDJCV-HXUWFJFHSA-N 1 3 360.546 3.313 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958115 503404379 /nfs/dbraw/zinc/40/43/79/503404379.db2.gz VCSUZIXYEAGLMG-OTWHNJEPSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958115 503404384 /nfs/dbraw/zinc/40/43/84/503404384.db2.gz VCSUZIXYEAGLMG-OTWHNJEPSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000503525396 503428975 /nfs/dbraw/zinc/42/89/75/503428975.db2.gz DSDHAUFAPFVAML-FCHUYYIVSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155325 503456852 /nfs/dbraw/zinc/45/68/52/503456852.db2.gz LTNLXZPMEFYQLA-SIKLNZKXSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000493939661 503462611 /nfs/dbraw/zinc/46/26/11/503462611.db2.gz FSVUYJAQDRWQBR-YZGWKJHDSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N(C)CCN2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430984 503549141 /nfs/dbraw/zinc/54/91/41/503549141.db2.gz WIJKFYZVFNEYTI-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N(C)CCN2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430984 503549142 /nfs/dbraw/zinc/54/91/42/503549142.db2.gz WIJKFYZVFNEYTI-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000504420580 503572592 /nfs/dbraw/zinc/57/25/92/503572592.db2.gz XIPMLRKQDRZZLW-UXHICEINSA-N 1 3 360.546 3.192 20 0 FGADHO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508848857 503576715 /nfs/dbraw/zinc/57/67/15/503576715.db2.gz AYZDHKHDCJNHET-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO C(=C\C[N@@H+]1CCC[C@H](OCC2CC2)C1)\CN1CCC[C@H](OCC2CC2)C1 ZINC000494657465 503586060 /nfs/dbraw/zinc/58/60/60/503586060.db2.gz UATGBYLCOYIEOS-AUSJAXNVSA-N 1 3 362.558 3.325 20 0 FGADHO C(=C\C[N@H+]1CCC[C@H](OCC2CC2)C1)\CN1CCC[C@H](OCC2CC2)C1 ZINC000494657465 503586064 /nfs/dbraw/zinc/58/60/64/503586064.db2.gz UATGBYLCOYIEOS-AUSJAXNVSA-N 1 3 362.558 3.325 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nc(C)oc2C)CC1 ZINC000500244152 503586723 /nfs/dbraw/zinc/58/67/23/503586723.db2.gz ZSKSFSKFTRAWSA-UHFFFAOYSA-N 1 3 356.514 3.156 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C ZINC000508898124 503593081 /nfs/dbraw/zinc/59/30/81/503593081.db2.gz KLOJCLRDLPNJBV-RXVVDRJESA-N 1 3 374.573 3.360 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653614 /nfs/dbraw/zinc/65/36/14/503653614.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653618 /nfs/dbraw/zinc/65/36/18/503653618.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000495062192 503655507 /nfs/dbraw/zinc/65/55/07/503655507.db2.gz ALGPINWFNDYEAG-SFHVURJKSA-N 1 3 363.933 3.199 20 0 FGADHO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(OCCN(C)C)c1 ZINC000536832820 503735568 /nfs/dbraw/zinc/73/55/68/503735568.db2.gz KVUPKTYLCKICDB-INIZCTEOSA-N 1 3 354.498 3.188 20 0 FGADHO Cc1ccncc1[C@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000536858121 503741865 /nfs/dbraw/zinc/74/18/65/503741865.db2.gz LYVBGBFGQWZDLD-SFHVURJKSA-N 1 3 366.509 3.066 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000543406859 503758005 /nfs/dbraw/zinc/75/80/05/503758005.db2.gz MYHKBYGWNFSDJE-OFNKIYASSA-N 1 3 373.585 3.470 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000543406859 503758008 /nfs/dbraw/zinc/75/80/08/503758008.db2.gz MYHKBYGWNFSDJE-OFNKIYASSA-N 1 3 373.585 3.470 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000537015736 503777853 /nfs/dbraw/zinc/77/78/53/503777853.db2.gz JGPUIQLQYZLLPI-SFTDATJTSA-N 1 3 355.526 3.181 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797319 /nfs/dbraw/zinc/79/73/19/503797319.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 1 3 355.526 3.418 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797324 /nfs/dbraw/zinc/79/73/24/503797324.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 1 3 355.526 3.418 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517702162 503812598 /nfs/dbraw/zinc/81/25/98/503812598.db2.gz METKRHNAHLMYGC-GOSISDBHSA-N 1 3 374.573 3.448 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517702162 503812601 /nfs/dbraw/zinc/81/26/01/503812601.db2.gz METKRHNAHLMYGC-GOSISDBHSA-N 1 3 374.573 3.448 20 0 FGADHO CN(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000540552343 503814536 /nfs/dbraw/zinc/81/45/36/503814536.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 1 3 352.906 3.317 20 0 FGADHO CN(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000540552343 503814540 /nfs/dbraw/zinc/81/45/40/503814540.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 1 3 352.906 3.317 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628415 503838450 /nfs/dbraw/zinc/83/84/50/503838450.db2.gz ZTEOYXWFCFMCLG-AEFFLSMTSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628415 503838456 /nfs/dbraw/zinc/83/84/56/503838456.db2.gz ZTEOYXWFCFMCLG-AEFFLSMTSA-N 1 3 356.466 3.457 20 0 FGADHO CN(CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000543716259 503864315 /nfs/dbraw/zinc/86/43/15/503864315.db2.gz FYAYHTVNKGDOOP-UHFFFAOYSA-N 1 3 366.509 3.210 20 0 FGADHO Cc1cc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccn1 ZINC000527651374 503876656 /nfs/dbraw/zinc/87/66/56/503876656.db2.gz AQOBPDJWEAUQPE-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO Cc1cc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccn1 ZINC000527651374 503876659 /nfs/dbraw/zinc/87/66/59/503876659.db2.gz AQOBPDJWEAUQPE-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ccccn3)cc2)C[C@H]1C ZINC000537351171 503886597 /nfs/dbraw/zinc/88/65/97/503886597.db2.gz FFDBLZXAGSKDLT-KDURUIRLSA-N 1 3 353.510 3.381 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ccccn3)cc2)C[C@H]1C ZINC000537351171 503886602 /nfs/dbraw/zinc/88/66/02/503886602.db2.gz FFDBLZXAGSKDLT-KDURUIRLSA-N 1 3 353.510 3.381 20 0 FGADHO C[NH+](C)CC1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCCC1 ZINC000546861018 503905573 /nfs/dbraw/zinc/90/55/73/503905573.db2.gz QOWWUNLAIMBUKA-UHFFFAOYSA-N 1 3 372.557 3.026 20 0 FGADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000533741319 503939142 /nfs/dbraw/zinc/93/91/42/503939142.db2.gz GBGWQENVGQGVRV-HZPDHXFCSA-N 1 3 350.551 3.234 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023909 /nfs/dbraw/zinc/02/39/09/504023909.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023915 /nfs/dbraw/zinc/02/39/15/504023915.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 1 3 372.557 3.021 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c(Cl)ccc2cccnc21 ZINC000534204372 504069477 /nfs/dbraw/zinc/06/94/77/504069477.db2.gz FHKWJDWMBWZGOW-UHFFFAOYSA-N 1 3 360.933 3.346 20 0 FGADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(CC)CC ZINC000531056836 504173639 /nfs/dbraw/zinc/17/36/39/504173639.db2.gz BLGDXZZZDDGXJH-VTHDOGFWSA-N 1 3 357.542 3.419 20 0 FGADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(CC)CC ZINC000531056836 504173645 /nfs/dbraw/zinc/17/36/45/504173645.db2.gz BLGDXZZZDDGXJH-VTHDOGFWSA-N 1 3 357.542 3.419 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000544598823 504186687 /nfs/dbraw/zinc/18/66/87/504186687.db2.gz YDCTXIJSRPUKSJ-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000519370825 504205120 /nfs/dbraw/zinc/20/51/20/504205120.db2.gz XEWZWJFROAQEFF-OAQYLSRUSA-N 1 3 370.541 3.052 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCCC2 ZINC000538406468 504238363 /nfs/dbraw/zinc/23/83/63/504238363.db2.gz GUIGTLLMISJXIS-RTBURBONSA-N 1 3 361.530 3.240 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793897 504242305 /nfs/dbraw/zinc/24/23/05/504242305.db2.gz BOLLIKRARFFSKO-HNNXBMFYSA-N 1 3 373.722 3.136 20 0 FGADHO CC[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[NH+](CC)CC ZINC000519532157 504243572 /nfs/dbraw/zinc/24/35/72/504243572.db2.gz HODHWZSBWBFNTP-QZTJIDSGSA-N 1 3 351.560 3.248 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000541786731 504254607 /nfs/dbraw/zinc/25/46/07/504254607.db2.gz DYHVOFHQLSPFCO-NQIIRXRSSA-N 1 3 372.557 3.195 20 0 FGADHO C(CN1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629040 504309354 /nfs/dbraw/zinc/30/93/54/504309354.db2.gz WYJBWCFJODTWJP-NHCUHLMSSA-N 1 3 350.547 3.159 20 0 FGADHO C(CN1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629040 504309358 /nfs/dbraw/zinc/30/93/58/504309358.db2.gz WYJBWCFJODTWJP-NHCUHLMSSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535013334 504313215 /nfs/dbraw/zinc/31/32/15/504313215.db2.gz YQKQMLYIASTUEH-FXAWDEMLSA-N 1 3 365.949 3.067 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1C ZINC000538735893 504350518 /nfs/dbraw/zinc/35/05/18/504350518.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 1 3 362.514 3.161 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1C ZINC000538735893 504350523 /nfs/dbraw/zinc/35/05/23/504350523.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 1 3 362.514 3.161 20 0 FGADHO COc1cccc(C[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2)c1 ZINC000531701762 504397250 /nfs/dbraw/zinc/39/72/50/504397250.db2.gz PTFZOYFCJSZIAD-UNMCSNQZSA-N 1 3 354.494 3.025 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723893 504405141 /nfs/dbraw/zinc/40/51/41/504405141.db2.gz RDYYEUNVSRQPNF-GYSYKLTISA-N 1 3 364.843 3.484 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723893 504405146 /nfs/dbraw/zinc/40/51/46/504405146.db2.gz RDYYEUNVSRQPNF-GYSYKLTISA-N 1 3 364.843 3.484 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728901 504406515 /nfs/dbraw/zinc/40/65/15/504406515.db2.gz VHMABVCAZOGODP-ZIAGYGMSSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728901 504406522 /nfs/dbraw/zinc/40/65/22/504406522.db2.gz VHMABVCAZOGODP-ZIAGYGMSSA-N 1 3 373.419 3.234 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000520067353 504406825 /nfs/dbraw/zinc/40/68/25/504406825.db2.gz ISJDTONSPQDBFX-LJQANCHMSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520200334 504433870 /nfs/dbraw/zinc/43/38/70/504433870.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520200334 504433873 /nfs/dbraw/zinc/43/38/73/504433873.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 1 3 366.594 3.260 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000520215336 504437370 /nfs/dbraw/zinc/43/73/70/504437370.db2.gz DHWYLKKIIXBILM-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000528970455 504474953 /nfs/dbraw/zinc/47/49/53/504474953.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 1 3 369.553 3.159 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000528970455 504474957 /nfs/dbraw/zinc/47/49/57/504474957.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 1 3 369.553 3.159 20 0 FGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199500 504496690 /nfs/dbraw/zinc/49/66/90/504496690.db2.gz GQUYGKGZSWOFBT-YLJYHZDGSA-N 1 3 361.505 3.234 20 0 FGADHO Cc1cc(OCCN(C)CCN(C)C2CC[NH+](C)CC2)ccc1C(C)C ZINC000539221950 504501904 /nfs/dbraw/zinc/50/19/04/504501904.db2.gz HAWFFHDGTPKFGY-UHFFFAOYSA-N 1 3 361.574 3.455 20 0 FGADHO CC(C)N(C)C(=O)[C@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681286 504505445 /nfs/dbraw/zinc/50/54/45/504505445.db2.gz RZRHAFXNYLOZTE-IBGZPJMESA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)N(C)C(=O)[C@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681286 504505451 /nfs/dbraw/zinc/50/54/51/504505451.db2.gz RZRHAFXNYLOZTE-IBGZPJMESA-N 1 3 357.542 3.230 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCn2ccnc2C)CC1 ZINC000539311176 504526470 /nfs/dbraw/zinc/52/64/70/504526470.db2.gz FRGHXJILUBSTAJ-KRWDZBQOSA-N 1 3 373.520 3.213 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533383 /nfs/dbraw/zinc/53/33/83/504533383.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533388 /nfs/dbraw/zinc/53/33/88/504533388.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 1 3 372.557 3.242 20 0 FGADHO C[N@H+](CCC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000548720821 504540537 /nfs/dbraw/zinc/54/05/37/504540537.db2.gz NHHORIMSKCUAMY-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO C[N@@H+](CCC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000548720821 504540540 /nfs/dbraw/zinc/54/05/40/504540540.db2.gz NHHORIMSKCUAMY-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000532195617 504570317 /nfs/dbraw/zinc/57/03/17/504570317.db2.gz VUBNGCVFLDMBEF-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200769 504571037 /nfs/dbraw/zinc/57/10/37/504571037.db2.gz BOXJNOURNXNWQL-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200769 504571042 /nfs/dbraw/zinc/57/10/42/504571042.db2.gz BOXJNOURNXNWQL-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200769 504571046 /nfs/dbraw/zinc/57/10/46/504571046.db2.gz BOXJNOURNXNWQL-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532239205 504582708 /nfs/dbraw/zinc/58/27/08/504582708.db2.gz VAFNNACIMMVNKC-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CC[C@H](C)C1 ZINC000532239205 504582712 /nfs/dbraw/zinc/58/27/12/504582712.db2.gz VAFNNACIMMVNKC-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823085 504625607 /nfs/dbraw/zinc/62/56/07/504625607.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823085 504625612 /nfs/dbraw/zinc/62/56/12/504625612.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479464 504665125 /nfs/dbraw/zinc/66/51/25/504665125.db2.gz QDZUPBQHMFQMFN-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479464 504665131 /nfs/dbraw/zinc/66/51/31/504665131.db2.gz QDZUPBQHMFQMFN-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479464 504665137 /nfs/dbraw/zinc/66/51/37/504665137.db2.gz QDZUPBQHMFQMFN-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000539832764 504708978 /nfs/dbraw/zinc/70/89/78/504708978.db2.gz YSWFZHVIGNCMEV-UHFFFAOYSA-N 1 3 360.420 3.170 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620168 504765156 /nfs/dbraw/zinc/76/51/56/504765156.db2.gz JNROYVTZDLPIQK-RBUKOAKNSA-N 1 3 372.557 3.181 20 0 FGADHO Cc1nocc1CNCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000559294011 504822726 /nfs/dbraw/zinc/82/27/26/504822726.db2.gz ABRNNPXOELHNMB-IAGOWNOFSA-N 1 3 357.498 3.282 20 0 FGADHO O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000553315035 504880933 /nfs/dbraw/zinc/88/09/33/504880933.db2.gz MOMHMSKWDBQEOT-HXUWFJFHSA-N 1 3 361.917 3.124 20 0 FGADHO Clc1ccc([C@@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476557 504899285 /nfs/dbraw/zinc/89/92/85/504899285.db2.gz RPBXOQSEFDQPLJ-IRXDYDNUSA-N 1 3 359.905 3.351 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cccc2c1CCNC2 ZINC000562770828 504939635 /nfs/dbraw/zinc/93/96/35/504939635.db2.gz VHWTWMISKOUITQ-UHFFFAOYSA-N 1 3 364.493 3.250 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000565757695 504979081 /nfs/dbraw/zinc/97/90/81/504979081.db2.gz CZHMYARAKDOKAP-LNRXMEIDSA-N 1 3 358.526 3.215 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@H]3CCC[C@H]32)cc1 ZINC000565757695 504979087 /nfs/dbraw/zinc/97/90/87/504979087.db2.gz CZHMYARAKDOKAP-LNRXMEIDSA-N 1 3 358.526 3.215 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 ZINC000562962874 505000621 /nfs/dbraw/zinc/00/06/21/505000621.db2.gz XDXIGHFFDMBBKD-AQDHKIAYSA-N 1 3 371.504 3.130 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)CC1 ZINC000565842354 505003398 /nfs/dbraw/zinc/00/33/98/505003398.db2.gz DTLZOHXPWREBLU-MEMLXQNLSA-N 1 3 369.553 3.245 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)COCc1ccccc1 ZINC000562984187 505009866 /nfs/dbraw/zinc/00/98/66/505009866.db2.gz DYANQTZCSVNADZ-HSZRJFAPSA-N 1 3 368.521 3.340 20 0 FGADHO CC1(C)CC(NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328015 505023949 /nfs/dbraw/zinc/02/39/49/505023949.db2.gz KJPYHWJPVWYAKB-AZUAARDMSA-N 1 3 360.542 3.340 20 0 FGADHO CC1(C)CC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)N1 ZINC000550328015 505023951 /nfs/dbraw/zinc/02/39/51/505023951.db2.gz KJPYHWJPVWYAKB-AZUAARDMSA-N 1 3 360.542 3.340 20 0 FGADHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563092026 505045935 /nfs/dbraw/zinc/04/59/35/505045935.db2.gz IHIMDTUOPDFTAT-YADHBBJMSA-N 1 3 374.488 3.107 20 0 FGADHO C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000553975771 505057900 /nfs/dbraw/zinc/05/79/00/505057900.db2.gz MQSYYZNHFKONOP-KNQAVFIVSA-N 1 3 371.569 3.272 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000550623437 505075646 /nfs/dbraw/zinc/07/56/46/505075646.db2.gz YEYWMZGCDKLYEJ-JSGCOSHPSA-N 1 3 372.376 3.114 20 0 FGADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112917 /nfs/dbraw/zinc/11/29/17/505112917.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 1 3 369.553 3.377 20 0 FGADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112920 /nfs/dbraw/zinc/11/29/20/505112920.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563498975 505157362 /nfs/dbraw/zinc/15/73/62/505157362.db2.gz HKLPNXJZWPFYFM-WBVHZDCISA-N 1 3 356.514 3.107 20 0 FGADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563498975 505157365 /nfs/dbraw/zinc/15/73/65/505157365.db2.gz HKLPNXJZWPFYFM-WBVHZDCISA-N 1 3 356.514 3.107 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159451 /nfs/dbraw/zinc/15/94/51/505159451.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 1 3 372.557 3.194 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159453 /nfs/dbraw/zinc/15/94/53/505159453.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 1 3 372.557 3.194 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1C ZINC000563529278 505167555 /nfs/dbraw/zinc/16/75/55/505167555.db2.gz XMBOTIVVESYMHA-NRFANRHFSA-N 1 3 356.510 3.203 20 0 FGADHO CC1(C)OCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265434 505188206 /nfs/dbraw/zinc/18/82/06/505188206.db2.gz VKWODOHPQOZXKD-VQTJNVASSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000554597631 505217106 /nfs/dbraw/zinc/21/71/06/505217106.db2.gz OCPVNYADEVEGSK-GUDVDZBRSA-N 1 3 357.542 3.123 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008591 505301155 /nfs/dbraw/zinc/30/11/55/505301155.db2.gz LHVXGOAAGFURFM-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008591 505301159 /nfs/dbraw/zinc/30/11/59/505301159.db2.gz LHVXGOAAGFURFM-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008591 505301162 /nfs/dbraw/zinc/30/11/62/505301162.db2.gz LHVXGOAAGFURFM-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282978 505304689 /nfs/dbraw/zinc/30/46/89/505304689.db2.gz LFDPLERPCYMFDW-NFBKMPQASA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282978 505304691 /nfs/dbraw/zinc/30/46/91/505304691.db2.gz LFDPLERPCYMFDW-NFBKMPQASA-N 1 3 369.553 3.376 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)C1CCN(C)CC1 ZINC000551813593 505316433 /nfs/dbraw/zinc/31/64/33/505316433.db2.gz NFTPSWNGVJEREW-FCHUYYIVSA-N 1 3 357.542 3.360 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)C1CCN(C)CC1 ZINC000551813593 505316435 /nfs/dbraw/zinc/31/64/35/505316435.db2.gz NFTPSWNGVJEREW-FCHUYYIVSA-N 1 3 357.542 3.360 20 0 FGADHO CNC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383564 /nfs/dbraw/zinc/38/35/64/505383564.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 1 3 371.550 3.370 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383570 /nfs/dbraw/zinc/38/35/70/505383570.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 1 3 371.550 3.370 20 0 FGADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000555230806 505385415 /nfs/dbraw/zinc/38/54/15/505385415.db2.gz HBZLIHPJBALKHG-QAPCUYQASA-N 1 3 351.922 3.323 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CCOCC1)c1ccccc1 ZINC000552249946 505440918 /nfs/dbraw/zinc/44/09/18/505440918.db2.gz QIPJQXVXWVXKEQ-BDKRGJGYSA-N 1 3 371.569 3.349 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976443 505482989 /nfs/dbraw/zinc/48/29/89/505482989.db2.gz FUKMJPSPMDWWRB-INIZCTEOSA-N 1 3 363.933 3.265 20 0 FGADHO CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000555712741 505497446 /nfs/dbraw/zinc/49/74/46/505497446.db2.gz WTFWFRHWIZGBRV-NHCUHLMSSA-N 1 3 369.553 3.409 20 0 FGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])s2)cs1 ZINC000564791830 505520933 /nfs/dbraw/zinc/52/09/33/505520933.db2.gz OCMAZKADUWPLKC-BYCMXARLSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)s2)cs1 ZINC000564791830 505520937 /nfs/dbraw/zinc/52/09/37/505520937.db2.gz OCMAZKADUWPLKC-BYCMXARLSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000564793389 505521924 /nfs/dbraw/zinc/52/19/24/505521924.db2.gz GRJPWQULVCEZOU-GOSISDBHSA-N 1 3 362.901 3.240 20 0 FGADHO COc1cccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641634 505522631 /nfs/dbraw/zinc/52/26/31/505522631.db2.gz YWUKOXMZDIPVOM-PGRDOPGGSA-N 1 3 368.477 3.092 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120521 505523149 /nfs/dbraw/zinc/52/31/49/505523149.db2.gz MCZPZJNVLUPVEZ-PMACEKPBSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H](CNC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678559 505533447 /nfs/dbraw/zinc/53/34/47/505533447.db2.gz WBURQCBQIPTJHH-GJYPPUQNSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)CN1CCCC1 ZINC000567678559 505533450 /nfs/dbraw/zinc/53/34/50/505533450.db2.gz WBURQCBQIPTJHH-GJYPPUQNSA-N 1 3 354.922 3.100 20 0 FGADHO Cc1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000564940195 505561651 /nfs/dbraw/zinc/56/16/51/505561651.db2.gz LNMCCYOWVSEZOV-XLIONFOSSA-N 1 3 360.546 3.083 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000583184650 506634963 /nfs/dbraw/zinc/63/49/63/506634963.db2.gz ALYKTDWWEZQGDD-UHFFFAOYSA-N 1 3 362.518 3.066 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656138 506651982 /nfs/dbraw/zinc/65/19/82/506651982.db2.gz LDLOTPAVIKWRCN-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179913 506738913 /nfs/dbraw/zinc/73/89/13/506738913.db2.gz WNRQPIUSSRDSGZ-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179913 506738919 /nfs/dbraw/zinc/73/89/19/506738919.db2.gz WNRQPIUSSRDSGZ-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193599 506745101 /nfs/dbraw/zinc/74/51/01/506745101.db2.gz BEXPVYRRFXAPDN-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193599 506745104 /nfs/dbraw/zinc/74/51/04/506745104.db2.gz BEXPVYRRFXAPDN-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604195900 506747441 /nfs/dbraw/zinc/74/74/41/506747441.db2.gz WYJMGMYGJJPOSM-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604195900 506747445 /nfs/dbraw/zinc/74/74/45/506747445.db2.gz WYJMGMYGJJPOSM-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604199989 506748283 /nfs/dbraw/zinc/74/82/83/506748283.db2.gz UIGRTNHVMIMYOD-FQEVSTJZSA-N 1 3 360.546 3.245 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604199989 506748288 /nfs/dbraw/zinc/74/82/88/506748288.db2.gz UIGRTNHVMIMYOD-FQEVSTJZSA-N 1 3 360.546 3.245 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078536 506766718 /nfs/dbraw/zinc/76/67/18/506766718.db2.gz NFEKFTGZCGTRFR-IBGZPJMESA-N 1 3 368.525 3.170 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078536 506766727 /nfs/dbraw/zinc/76/67/27/506766727.db2.gz NFEKFTGZCGTRFR-IBGZPJMESA-N 1 3 368.525 3.170 20 0 FGADHO CCOC(=O)c1cccc(CNCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000600129698 506792194 /nfs/dbraw/zinc/79/21/94/506792194.db2.gz JZMSXLBBVYTVCU-UHFFFAOYSA-N 1 3 367.493 3.260 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583940 506862341 /nfs/dbraw/zinc/86/23/41/506862341.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583940 506862348 /nfs/dbraw/zinc/86/23/48/506862348.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)(C)OC(=O)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCC1 ZINC000597256813 506865801 /nfs/dbraw/zinc/86/58/01/506865801.db2.gz HGHVHECRMHWQEH-LJQANCHMSA-N 1 3 359.514 3.398 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000594099581 506938389 /nfs/dbraw/zinc/93/83/89/506938389.db2.gz INGDZCBMYMBNNV-NRFANRHFSA-N 1 3 372.557 3.297 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000594099581 506938396 /nfs/dbraw/zinc/93/83/96/506938396.db2.gz INGDZCBMYMBNNV-NRFANRHFSA-N 1 3 372.557 3.297 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000583920552 507050549 /nfs/dbraw/zinc/05/05/49/507050549.db2.gz JQRATCKVAMLOAT-FQEVSTJZSA-N 1 3 372.557 3.037 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921540 507051859 /nfs/dbraw/zinc/05/18/59/507051859.db2.gz JGXHGTDWHFBBKQ-LAUBAEHRSA-N 1 3 372.557 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921540 507051863 /nfs/dbraw/zinc/05/18/63/507051863.db2.gz JGXHGTDWHFBBKQ-LAUBAEHRSA-N 1 3 372.557 3.326 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594288927 507065139 /nfs/dbraw/zinc/06/51/39/507065139.db2.gz ZCBMTYUVXHHKRH-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2csc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000600710559 507076592 /nfs/dbraw/zinc/07/65/92/507076592.db2.gz ORTCHECVALCRSA-NSHDSACASA-N 1 3 364.433 3.178 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000600831935 507141836 /nfs/dbraw/zinc/14/18/36/507141836.db2.gz KMFRXCDNQHYQHJ-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000600844351 507145060 /nfs/dbraw/zinc/14/50/60/507145060.db2.gz HBKDXHWMQATVLB-UHFFFAOYSA-N 1 3 360.546 3.204 20 0 FGADHO CSC1(CNCc2cn(-c3ccc(C)cc3)nc2C)CC[NH+](C)CC1 ZINC000594520575 507169072 /nfs/dbraw/zinc/16/90/72/507169072.db2.gz LTVYMSBSYFAWMW-UHFFFAOYSA-N 1 3 358.555 3.406 20 0 FGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000584136828 507171049 /nfs/dbraw/zinc/17/10/49/507171049.db2.gz RJTOIDNDKJOQJF-SJORKVTESA-N 1 3 357.498 3.312 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438016 507249736 /nfs/dbraw/zinc/24/97/36/507249736.db2.gz PEEOOHSQGLYUNB-PXNSSMCTSA-N 1 3 373.541 3.010 20 0 FGADHO CC(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCCC1 ZINC000591538303 507281417 /nfs/dbraw/zinc/28/14/17/507281417.db2.gz FFGNSVQTGXXYRR-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601215108 507298725 /nfs/dbraw/zinc/29/87/25/507298725.db2.gz STWYCCIBNNRDEF-UXHICEINSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591579248 507301286 /nfs/dbraw/zinc/30/12/86/507301286.db2.gz GFGMXKAKTIFHQK-WOJBJXKFSA-N 1 3 360.546 3.017 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000594925356 507317216 /nfs/dbraw/zinc/31/72/16/507317216.db2.gz RXVJUXYRJIKBPX-ZTFGCOKTSA-N 1 3 364.917 3.339 20 0 FGADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000594925353 507317572 /nfs/dbraw/zinc/31/75/72/507317572.db2.gz RXVJUXYRJIKBPX-FHLIZLRMSA-N 1 3 364.917 3.339 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000594942417 507324413 /nfs/dbraw/zinc/32/44/13/507324413.db2.gz IBUAVTMHCWFNFX-KVDGJZSYSA-N 1 3 356.510 3.074 20 0 FGADHO C[C@H](CCNC(=O)Nc1cccc2c1CCNC2)[N@H+](C)Cc1ccccc1 ZINC000584579040 507422251 /nfs/dbraw/zinc/42/22/51/507422251.db2.gz HSDQQYNDGKBFGE-QGZVFWFLSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@H](CCNC(=O)Nc1cccc2c1CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000584579040 507422258 /nfs/dbraw/zinc/42/22/58/507422258.db2.gz HSDQQYNDGKBFGE-QGZVFWFLSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@@H](CCNC(=O)Nc1cccc2c1CCNC2)[N@H+](C)Cc1ccccc1 ZINC000584579039 507422986 /nfs/dbraw/zinc/42/29/86/507422986.db2.gz HSDQQYNDGKBFGE-KRWDZBQOSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@@H](CCNC(=O)Nc1cccc2c1CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000584579039 507422989 /nfs/dbraw/zinc/42/29/89/507422989.db2.gz HSDQQYNDGKBFGE-KRWDZBQOSA-N 1 3 366.509 3.364 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638008 507461162 /nfs/dbraw/zinc/46/11/62/507461162.db2.gz NXZIOZVSGXVJSL-YJBOKZPZSA-N 1 3 366.575 3.161 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000606659593 507471814 /nfs/dbraw/zinc/47/18/14/507471814.db2.gz OOTBDALOIJVJOW-IRFCIJBXSA-N 1 3 374.573 3.411 20 0 FGADHO CN(CCCN(C)Cc1cc(-c2ccc(Cl)cc2)no1)CC[NH+](C)C ZINC000584744071 507479997 /nfs/dbraw/zinc/47/99/97/507479997.db2.gz MRCCYMASBRXPSZ-UHFFFAOYSA-N 1 3 364.921 3.310 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606702202 507488139 /nfs/dbraw/zinc/48/81/39/507488139.db2.gz RTSHQFOCKYYMJS-QGZVFWFLSA-N 1 3 360.546 3.010 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000595826147 507703248 /nfs/dbraw/zinc/70/32/48/507703248.db2.gz WWGFFUFQHFZVTM-OAQYLSRUSA-N 1 3 374.573 3.414 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000595826147 507703252 /nfs/dbraw/zinc/70/32/52/507703252.db2.gz WWGFFUFQHFZVTM-OAQYLSRUSA-N 1 3 374.573 3.414 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507756013 /nfs/dbraw/zinc/75/60/13/507756013.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 1 3 357.542 3.473 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507756020 /nfs/dbraw/zinc/75/60/20/507756020.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 1 3 357.542 3.473 20 0 FGADHO CC1CC[NH+](C2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)CC1 ZINC000824957311 607753541 /nfs/dbraw/zinc/75/35/41/607753541.db2.gz XBFHPEINQLHGCF-UHFFFAOYSA-N 1 3 372.492 3.139 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750371 714251058 /nfs/dbraw/zinc/25/10/58/714251058.db2.gz LTMHQILIQMEENE-AWEZNQCLSA-N 1 3 365.568 3.451 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656730 715014477 /nfs/dbraw/zinc/01/44/77/715014477.db2.gz WAZGOLSRZOVRGH-MRXNPFEDSA-N 1 3 351.922 3.010 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548212 718038715 /nfs/dbraw/zinc/03/87/15/718038715.db2.gz TZCGFSQQOSVARI-DPAVQSFQSA-N 1 3 359.905 3.268 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548213 718038864 /nfs/dbraw/zinc/03/88/64/718038864.db2.gz TZCGFSQQOSVARI-MKVSYHDVSA-N 1 3 359.905 3.268 20 0 FGADHO C[C@]1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272119 716132609 /nfs/dbraw/zinc/13/26/09/716132609.db2.gz DRXXXVFWIZSJSX-LEWJYISDSA-N 1 3 359.583 3.164 20 0 FGADHO C[C@]1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272119 716132611 /nfs/dbraw/zinc/13/26/11/716132611.db2.gz DRXXXVFWIZSJSX-LEWJYISDSA-N 1 3 359.583 3.164 20 0 FGADHO Cc1cc(Br)ccc1[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580381 716310597 /nfs/dbraw/zinc/31/05/97/716310597.db2.gz ABYNPRIABRRJIV-NVXWUHKLSA-N 1 3 365.315 3.415 20 0 FGADHO Fc1ccc(SCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000629591860 716314997 /nfs/dbraw/zinc/31/49/97/716314997.db2.gz PNQFWABLYZQVPE-INIZCTEOSA-N 1 3 356.482 3.147 20 0 FGADHO COc1cc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)sn1 ZINC000638335300 717435922 /nfs/dbraw/zinc/43/59/22/717435922.db2.gz LGZWAHMWHLSVLG-GASCZTMLSA-N 1 3 361.511 3.051 20 0 FGADHO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000644770932 718152507 /nfs/dbraw/zinc/15/25/07/718152507.db2.gz ZQKYSEOYWSQQEY-GUYCJALGSA-N 1 3 367.331 3.119 20 0 FGADHO Cc1cn2c(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)c(C)nc2s1 ZINC000647248970 718342960 /nfs/dbraw/zinc/34/29/60/718342960.db2.gz URTDVDMJVYMCNU-MSOLQXFVSA-N 1 3 354.523 3.448 20 0 FGADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000650567312 718699755 /nfs/dbraw/zinc/69/97/55/718699755.db2.gz WZYOVHQDLXIEEF-KRWDZBQOSA-N 1 3 364.559 3.012 20 0 FGADHO Cc1ccc(Br)cc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757138 719335678 /nfs/dbraw/zinc/33/56/78/719335678.db2.gz CKPHSIKHVGHJAD-GOSISDBHSA-N 1 3 367.331 3.491 20 0 FGADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000658107149 719757606 /nfs/dbraw/zinc/75/76/06/719757606.db2.gz KSYBPUWWPNOQAZ-GJZGRUSLSA-N 1 3 365.953 3.149 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137534 719762140 /nfs/dbraw/zinc/76/21/40/719762140.db2.gz HJKQZSIHDOJUKT-KBXCAEBGSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137534 719762144 /nfs/dbraw/zinc/76/21/44/719762144.db2.gz HJKQZSIHDOJUKT-KBXCAEBGSA-N 1 3 359.539 3.431 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143675 719762567 /nfs/dbraw/zinc/76/25/67/719762567.db2.gz ZTFCLLVROFUOGQ-MSOLQXFVSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143675 719762573 /nfs/dbraw/zinc/76/25/73/719762573.db2.gz ZTFCLLVROFUOGQ-MSOLQXFVSA-N 1 3 357.523 3.185 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662792121 720458270 /nfs/dbraw/zinc/45/82/70/720458270.db2.gz OXEUYPQIDVEBJU-LJQANCHMSA-N 1 3 357.885 3.018 20 0 FGADHO CN(Cc1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733990 720546705 /nfs/dbraw/zinc/54/67/05/720546705.db2.gz FKXVKFYSHZPOND-LJQANCHMSA-N 1 3 372.557 3.192 20 0 FGADHO CN(C)CCC[N@H+](C)CCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC000664245200 720614215 /nfs/dbraw/zinc/61/42/15/720614215.db2.gz NRTQQDZUEMIWCK-UHFFFAOYSA-N 1 3 355.408 3.002 20 0 FGADHO CN(C)CCC[N@@H+](C)CCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC000664245200 720614217 /nfs/dbraw/zinc/61/42/17/720614217.db2.gz NRTQQDZUEMIWCK-UHFFFAOYSA-N 1 3 355.408 3.002 20 0 FGADHO Cc1cccc(N(c2cc(CN(C)C)ccn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777827 721329487 /nfs/dbraw/zinc/32/94/87/721329487.db2.gz RHKQDOHFUYIZJM-IFMALSPDSA-N 1 3 366.509 3.111 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600167 721966676 /nfs/dbraw/zinc/96/66/76/721966676.db2.gz JMUJUELSLKRDHJ-RYQLBKOJSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600167 721966677 /nfs/dbraw/zinc/96/66/77/721966677.db2.gz JMUJUELSLKRDHJ-RYQLBKOJSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600347 721966776 /nfs/dbraw/zinc/96/67/76/721966776.db2.gz MAKCRCIGWQHKJQ-UAGQMJEPSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600347 721966778 /nfs/dbraw/zinc/96/67/78/721966778.db2.gz MAKCRCIGWQHKJQ-UAGQMJEPSA-N 1 3 356.432 3.073 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543008 722415885 /nfs/dbraw/zinc/41/58/85/722415885.db2.gz NGJWOAVOGSURBM-TXTZMMAHSA-N 1 3 351.535 3.237 20 0 FGADHO CN1CCC[C@@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210635 722529139 /nfs/dbraw/zinc/52/91/39/722529139.db2.gz CZBRMGNGWXGILK-QGZVFWFLSA-N 1 3 356.539 3.040 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016230 723774639 /nfs/dbraw/zinc/77/46/39/723774639.db2.gz WNAVFVKURGLZPO-WBAXXEDZSA-N 1 3 372.912 3.239 20 0 FGADHO C[N@H+](CCCN1CCCC1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953215 724350058 /nfs/dbraw/zinc/35/00/58/724350058.db2.gz LEAFUYMAUGKLKN-GOSISDBHSA-N 1 3 353.551 3.441 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953215 724350061 /nfs/dbraw/zinc/35/00/61/724350061.db2.gz LEAFUYMAUGKLKN-GOSISDBHSA-N 1 3 353.551 3.441 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417989 724911336 /nfs/dbraw/zinc/91/13/36/724911336.db2.gz LYSZACHECYFATI-ZIAGYGMSSA-N 1 3 357.340 3.030 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165005 725294024 /nfs/dbraw/zinc/29/40/24/725294024.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 1 3 353.526 3.063 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165005 725294025 /nfs/dbraw/zinc/29/40/25/725294025.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 1 3 353.526 3.063 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507342 725370740 /nfs/dbraw/zinc/37/07/40/725370740.db2.gz YXPLNYLXCQPSAX-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507342 725370742 /nfs/dbraw/zinc/37/07/42/725370742.db2.gz YXPLNYLXCQPSAX-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000812720390 726806628 /nfs/dbraw/zinc/80/66/28/726806628.db2.gz FAOIPAFPKQAFIT-XDNAFOTISA-N 1 3 353.551 3.484 20 0 FGADHO C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CN1CCCC1 ZINC000823671424 729297737 /nfs/dbraw/zinc/29/77/37/729297737.db2.gz OFTAQWJXMFOEQR-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856001 730281347 /nfs/dbraw/zinc/28/13/47/730281347.db2.gz KUXQSXJAQHMCFJ-IAGOWNOFSA-N 1 3 360.889 3.030 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128894 730589267 /nfs/dbraw/zinc/58/92/67/730589267.db2.gz YOSXAXPFCDUIMQ-LSDHHAIUSA-N 1 3 361.921 3.142 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128891 730589427 /nfs/dbraw/zinc/58/94/27/730589427.db2.gz YOSXAXPFCDUIMQ-CABCVRRESA-N 1 3 361.921 3.142 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934735 730910571 /nfs/dbraw/zinc/91/05/71/730910571.db2.gz DJTNNDMSDKXMGF-LXPRWKDFSA-N 1 3 353.551 3.390 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993676 /nfs/dbraw/zinc/99/36/76/730993676.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 1 3 351.535 3.240 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993678 /nfs/dbraw/zinc/99/36/78/730993678.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 1 3 351.535 3.240 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(CC)(CC)SC)CC2)CC1 ZINC000847534316 731062150 /nfs/dbraw/zinc/06/21/50/731062150.db2.gz OCIKQHWYIOGONX-UHFFFAOYSA-N 1 3 369.619 3.221 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064860 731225318 /nfs/dbraw/zinc/22/53/18/731225318.db2.gz FRTFWAJPFVWVSR-CQSZACIVSA-N 1 3 373.328 3.361 20 0 FGADHO C[C@H](NC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074204 731226136 /nfs/dbraw/zinc/22/61/36/731226136.db2.gz GIPOAACIHYYRKW-UBHSHLNASA-N 1 3 371.312 3.032 20 0 FGADHO C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000849091045 731228063 /nfs/dbraw/zinc/22/80/63/731228063.db2.gz DTIFGYUBYMSLCT-KBPBESRZSA-N 1 3 356.436 3.440 20 0 FGADHO [NH2+]=C(NCCC1CC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849116296 731230932 /nfs/dbraw/zinc/23/09/32/731230932.db2.gz NUSIELVDKNIYQC-UHFFFAOYSA-N 1 3 350.457 3.200 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084551 731662111 /nfs/dbraw/zinc/66/21/11/731662111.db2.gz QWXWFSAGZUIWDP-MSOLQXFVSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084551 731662112 /nfs/dbraw/zinc/66/21/12/731662112.db2.gz QWXWFSAGZUIWDP-MSOLQXFVSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853084551 731662119 /nfs/dbraw/zinc/66/21/19/731662119.db2.gz QWXWFSAGZUIWDP-MSOLQXFVSA-N 1 3 351.535 3.098 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239512 731686305 /nfs/dbraw/zinc/68/63/05/731686305.db2.gz GYOUEAAGZMEELL-GOEBONIOSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239512 731686306 /nfs/dbraw/zinc/68/63/06/731686306.db2.gz GYOUEAAGZMEELL-GOEBONIOSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853239512 731686308 /nfs/dbraw/zinc/68/63/08/731686308.db2.gz GYOUEAAGZMEELL-GOEBONIOSA-N 1 3 364.921 3.164 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040955 /nfs/dbraw/zinc/04/09/55/732040955.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 1 3 353.457 3.420 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040964 /nfs/dbraw/zinc/04/09/64/732040964.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 1 3 353.457 3.420 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)cc1CN1CCCCC1 ZINC000866442217 733350378 /nfs/dbraw/zinc/35/03/78/733350378.db2.gz HCTWTUJHXLAWIV-YOEHRIQHSA-N 1 3 356.457 3.348 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988502 733542923 /nfs/dbraw/zinc/54/29/23/733542923.db2.gz NEKWLPUYYJOPHS-KBXCAEBGSA-N 1 3 358.873 3.259 20 0 FGADHO CN1CC[C@@H]2C[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010669 /nfs/dbraw/zinc/01/06/69/737010669.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010674 /nfs/dbraw/zinc/01/06/74/737010674.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO F[C@@H]1CC2(CC[C@H]1N1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611737 739920667 /nfs/dbraw/zinc/92/06/67/739920667.db2.gz VDRFWAVRAUVFCU-RTBURBONSA-N 1 3 354.510 3.208 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668047 740029284 /nfs/dbraw/zinc/02/92/84/740029284.db2.gz HFTBRSACZNTBAL-FPCVCCKLSA-N 1 3 364.452 3.218 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462175 /nfs/dbraw/zinc/46/21/75/742462175.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462177 /nfs/dbraw/zinc/46/21/77/742462177.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH3+])N(C)C)cc1 ZINC000904634209 743965732 /nfs/dbraw/zinc/96/57/32/743965732.db2.gz PCOHISSCPSYBBO-GOSISDBHSA-N 1 3 358.511 3.292 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388533 758910283 /nfs/dbraw/zinc/91/02/83/758910283.db2.gz QUNZSDBPCSPEPW-YKTARERQSA-N 1 3 351.560 3.010 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388533 758910286 /nfs/dbraw/zinc/91/02/86/758910286.db2.gz QUNZSDBPCSPEPW-YKTARERQSA-N 1 3 351.560 3.010 20 0 FGADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372907 759106829 /nfs/dbraw/zinc/10/68/29/759106829.db2.gz KIFUAURFWWSCJB-GDBMZVCRSA-N 1 3 361.313 3.230 20 0 FGADHO [NH3+]CC[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482389 759129230 /nfs/dbraw/zinc/12/92/30/759129230.db2.gz FCKPBXCOIOQNMU-GFCCVEGCSA-N 1 3 350.260 3.275 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)n1 ZINC000925440378 759488659 /nfs/dbraw/zinc/48/86/59/759488659.db2.gz RDYABJFKOZIJSM-RBSFLKMASA-N 1 3 370.335 3.384 20 0 FGADHO O=C1O[C@@H](CN[C@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850578 759558337 /nfs/dbraw/zinc/55/83/37/759558337.db2.gz JPGWMIJUETZYRH-DOMZBBRYSA-N 1 3 366.914 3.152 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000960642569 762736917 /nfs/dbraw/zinc/73/69/17/762736917.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000960642569 762736920 /nfs/dbraw/zinc/73/69/20/762736920.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971567617 762913908 /nfs/dbraw/zinc/91/39/08/762913908.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971567617 762913912 /nfs/dbraw/zinc/91/39/12/762913912.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3sccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995827315 764970564 /nfs/dbraw/zinc/97/05/64/764970564.db2.gz UUBROJWDSOFDKW-XJKCOSOUSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3sccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995827315 764970567 /nfs/dbraw/zinc/97/05/67/764970567.db2.gz UUBROJWDSOFDKW-XJKCOSOUSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC001020172283 765867148 /nfs/dbraw/zinc/86/71/48/765867148.db2.gz VQDSRSDLDAPGBB-RAEVTNRLSA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC001020172283 765867154 /nfs/dbraw/zinc/86/71/54/765867154.db2.gz VQDSRSDLDAPGBB-RAEVTNRLSA-N 1 3 370.324 3.070 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938717 766576797 /nfs/dbraw/zinc/57/67/97/766576797.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 1 3 367.965 3.174 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938717 766576799 /nfs/dbraw/zinc/57/67/99/766576799.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 1 3 367.965 3.174 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049483488 766786732 /nfs/dbraw/zinc/78/67/32/766786732.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 1 3 361.555 3.044 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049483488 766786737 /nfs/dbraw/zinc/78/67/37/766786737.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 1 3 361.555 3.044 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001052393569 766900307 /nfs/dbraw/zinc/90/03/07/766900307.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001052393569 766900311 /nfs/dbraw/zinc/90/03/11/766900311.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 1 3 363.933 3.151 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000567982803 505589846 /nfs/dbraw/zinc/58/98/46/505589846.db2.gz RRNCUDJBCDSJLO-ZVDOUQERSA-N 1 3 373.516 3.028 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045789 505603159 /nfs/dbraw/zinc/60/31/59/505603159.db2.gz JEQHVVPYDVNDLI-IEBWSBKVSA-N 1 3 363.571 3.211 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045789 505603160 /nfs/dbraw/zinc/60/31/60/505603160.db2.gz JEQHVVPYDVNDLI-IEBWSBKVSA-N 1 3 363.571 3.211 20 0 FGADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897816 505619427 /nfs/dbraw/zinc/61/94/27/505619427.db2.gz OYCDXLZODSGBIW-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897816 505619429 /nfs/dbraw/zinc/61/94/29/505619429.db2.gz OYCDXLZODSGBIW-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO CC(C)N1CCN([C@@H]2CC[N@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035806 505666856 /nfs/dbraw/zinc/66/68/56/505666856.db2.gz MSAMOSRZQBIFAG-OXQOHEQNSA-N 1 3 351.485 3.169 20 0 FGADHO CC(C)N1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035806 505666858 /nfs/dbraw/zinc/66/68/58/505666858.db2.gz MSAMOSRZQBIFAG-OXQOHEQNSA-N 1 3 351.485 3.169 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000075768752 493777098 /nfs/dbraw/zinc/77/70/98/493777098.db2.gz TXYRFDHEZQQASB-UGKGYDQZSA-N 1 3 369.553 3.340 20 0 FGADHO COc1ccc(-c2ccncc2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577177823 505680904 /nfs/dbraw/zinc/68/09/04/505680904.db2.gz GSPUHVTUMATTNF-IRLDBZIGSA-N 1 3 367.493 3.085 20 0 FGADHO O[C@H](CNCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000568384456 505681486 /nfs/dbraw/zinc/68/14/86/505681486.db2.gz HKUOPGFTEUWFIY-GOSISDBHSA-N 1 3 358.448 3.234 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000081363740 493879619 /nfs/dbraw/zinc/87/96/19/493879619.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 1 3 357.542 3.475 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000081363740 493879622 /nfs/dbraw/zinc/87/96/22/493879622.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 1 3 357.542 3.475 20 0 FGADHO Cc1[nH]c2c(cccc2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000050798930 493935901 /nfs/dbraw/zinc/93/59/01/493935901.db2.gz WYKCGMNOCUGXMF-UHFFFAOYSA-N 1 3 368.525 3.073 20 0 FGADHO CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCCCC1 ZINC000063407932 494052381 /nfs/dbraw/zinc/05/23/81/494052381.db2.gz IGDVULQCIQQKFN-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@H](C)O1 ZINC000084656585 494090906 /nfs/dbraw/zinc/09/09/06/494090906.db2.gz FHMQUKZAUCFKCY-HOTGVXAUSA-N 1 3 360.527 3.184 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000077644952 494131352 /nfs/dbraw/zinc/13/13/52/494131352.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000077644952 494131355 /nfs/dbraw/zinc/13/13/55/494131355.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000066160619 494280666 /nfs/dbraw/zinc/28/06/66/494280666.db2.gz AOJIEROINJTDFE-NRFANRHFSA-N 1 3 370.541 3.417 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523127 494313722 /nfs/dbraw/zinc/31/37/22/494313722.db2.gz SSCZEDVZGLAYOW-ICSRJNTNSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523127 494313724 /nfs/dbraw/zinc/31/37/24/494313724.db2.gz SSCZEDVZGLAYOW-ICSRJNTNSA-N 1 3 360.546 3.017 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000073494057 494378027 /nfs/dbraw/zinc/37/80/27/494378027.db2.gz KODAYGCKTPINCV-OTYNDTSQSA-N 1 3 372.557 3.166 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000073494057 494378030 /nfs/dbraw/zinc/37/80/30/494378030.db2.gz KODAYGCKTPINCV-OTYNDTSQSA-N 1 3 372.557 3.166 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000073724275 494418897 /nfs/dbraw/zinc/41/88/97/494418897.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000073724275 494418899 /nfs/dbraw/zinc/41/88/99/494418899.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000090010461 494428187 /nfs/dbraw/zinc/42/81/87/494428187.db2.gz JOPLKTGFZCPRTC-NRFANRHFSA-N 1 3 357.542 3.074 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000073959231 494457295 /nfs/dbraw/zinc/45/72/95/494457295.db2.gz GIAIVFPDWIFOIA-MJGOQNOKSA-N 1 3 363.571 3.368 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526255 494478633 /nfs/dbraw/zinc/47/86/33/494478633.db2.gz CTSNZVBIQOUZKU-JVPBZIDWSA-N 1 3 350.478 3.253 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785786 494621252 /nfs/dbraw/zinc/62/12/52/494621252.db2.gz QKZQWNJTUUNPFB-AZUAARDMSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785786 494621257 /nfs/dbraw/zinc/62/12/57/494621257.db2.gz QKZQWNJTUUNPFB-AZUAARDMSA-N 1 3 360.546 3.053 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000115789722 494622520 /nfs/dbraw/zinc/62/25/20/494622520.db2.gz DQPQWOUVBHKWHW-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000024571057 494640751 /nfs/dbraw/zinc/64/07/51/494640751.db2.gz FFASVFJWLOCTCI-IBGZPJMESA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000024571057 494640761 /nfs/dbraw/zinc/64/07/61/494640761.db2.gz FFASVFJWLOCTCI-IBGZPJMESA-N 1 3 372.557 3.215 20 0 FGADHO CCCCCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126173832 494660795 /nfs/dbraw/zinc/66/07/95/494660795.db2.gz JDUIYUPHTMQWBF-KRWDZBQOSA-N 1 3 352.567 3.203 20 0 FGADHO CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992081 494670286 /nfs/dbraw/zinc/67/02/86/494670286.db2.gz MLEFURVPYZZXHG-RTWAWAEBSA-N 1 3 357.542 3.245 20 0 FGADHO CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992082 494670325 /nfs/dbraw/zinc/67/03/25/494670325.db2.gz MLEFURVPYZZXHG-LEWJYISDSA-N 1 3 357.542 3.245 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000080331366 494678893 /nfs/dbraw/zinc/67/88/93/494678893.db2.gz RXWPFZSXHRUMPG-UHFFFAOYSA-N 1 3 361.530 3.011 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000080331366 494678898 /nfs/dbraw/zinc/67/88/98/494678898.db2.gz RXWPFZSXHRUMPG-UHFFFAOYSA-N 1 3 361.530 3.011 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075215741 494709115 /nfs/dbraw/zinc/70/91/15/494709115.db2.gz AZUIEWJNZRLYTL-MRXNPFEDSA-N 1 3 357.498 3.298 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567443 494741966 /nfs/dbraw/zinc/74/19/66/494741966.db2.gz QNRCXDBTTFZLSL-OAQYLSRUSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@H](C(=O)NC1CCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821126 494764616 /nfs/dbraw/zinc/76/46/16/494764616.db2.gz JRLKDENHUQRLSJ-QGZVFWFLSA-N 1 3 358.530 3.067 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821535 494764855 /nfs/dbraw/zinc/76/48/55/494764855.db2.gz PEBIVABXTLVNPP-KDURUIRLSA-N 1 3 372.557 3.409 20 0 FGADHO OCCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629253 505740739 /nfs/dbraw/zinc/74/07/39/505740739.db2.gz BXBXQINRYKISMG-NRFANRHFSA-N 1 3 366.505 3.345 20 0 FGADHO OCCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629253 505740743 /nfs/dbraw/zinc/74/07/43/505740743.db2.gz BXBXQINRYKISMG-NRFANRHFSA-N 1 3 366.505 3.345 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000126520998 494778207 /nfs/dbraw/zinc/77/82/07/494778207.db2.gz DCADJUXISDZQGN-IBGZPJMESA-N 1 3 365.949 3.478 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885564 494787804 /nfs/dbraw/zinc/78/78/04/494787804.db2.gz ACFRSORLNYBEON-ROUUACIJSA-N 1 3 372.557 3.058 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552596 494787930 /nfs/dbraw/zinc/78/79/30/494787930.db2.gz FIWILAIFQWWTLH-AVRDEDQJSA-N 1 3 371.569 3.395 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000075538694 494789899 /nfs/dbraw/zinc/78/98/99/494789899.db2.gz ZKKODZTVYJLBIT-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000075538694 494789902 /nfs/dbraw/zinc/78/99/02/494789902.db2.gz ZKKODZTVYJLBIT-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529773 494808173 /nfs/dbraw/zinc/80/81/73/494808173.db2.gz UZAOJUMYKSARKB-OALUTQOASA-N 1 3 372.557 3.386 20 0 FGADHO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132709 494830161 /nfs/dbraw/zinc/83/01/61/494830161.db2.gz VPUHWHBIKLCPFO-NRFANRHFSA-N 1 3 368.500 3.100 20 0 FGADHO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132709 494830165 /nfs/dbraw/zinc/83/01/65/494830165.db2.gz VPUHWHBIKLCPFO-NRFANRHFSA-N 1 3 368.500 3.100 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000121905684 494886116 /nfs/dbraw/zinc/88/61/16/494886116.db2.gz CFJVHXBVXRAFCJ-IBGZPJMESA-N 1 3 365.949 3.479 20 0 FGADHO CC(=O)Nc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000093844303 494926889 /nfs/dbraw/zinc/92/68/89/494926889.db2.gz KQTSMLVWFRCHGS-QZTJIDSGSA-N 1 3 373.541 3.356 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000093844286 494927448 /nfs/dbraw/zinc/92/74/48/494927448.db2.gz YYHDVHVXVGHFOZ-CALCHBBNSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000122138221 494929807 /nfs/dbraw/zinc/92/98/07/494929807.db2.gz WPFIXUADUBZION-QRVBRYPASA-N 1 3 366.571 3.197 20 0 FGADHO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000132827987 494930257 /nfs/dbraw/zinc/93/02/57/494930257.db2.gz TZMVCFSVBBDTEZ-KRWDZBQOSA-N 1 3 373.566 3.397 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@@H](C)O1 ZINC000093962039 494938178 /nfs/dbraw/zinc/93/81/78/494938178.db2.gz LDFJMSBNSGZSPR-HZPDHXFCSA-N 1 3 362.543 3.128 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1N(C)C ZINC000093945996 494938481 /nfs/dbraw/zinc/93/84/81/494938481.db2.gz WNHUQAZJWXBMMN-IBGZPJMESA-N 1 3 358.574 3.354 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000574338981 505750657 /nfs/dbraw/zinc/75/06/57/505750657.db2.gz ISFYRCLPIMTMSU-JKSUJKDBSA-N 1 3 352.906 3.256 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOCC1 ZINC000574338981 505750658 /nfs/dbraw/zinc/75/06/58/505750658.db2.gz ISFYRCLPIMTMSU-JKSUJKDBSA-N 1 3 352.906 3.256 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@H](C)O1 ZINC000093962034 494938600 /nfs/dbraw/zinc/93/86/00/494938600.db2.gz LDFJMSBNSGZSPR-IYBDPMFKSA-N 1 3 362.543 3.128 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000574338978 505750716 /nfs/dbraw/zinc/75/07/16/505750716.db2.gz ISFYRCLPIMTMSU-CVEARBPZSA-N 1 3 352.906 3.256 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000574338978 505750717 /nfs/dbraw/zinc/75/07/17/505750717.db2.gz ISFYRCLPIMTMSU-CVEARBPZSA-N 1 3 352.906 3.256 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929359 494944242 /nfs/dbraw/zinc/94/42/42/494944242.db2.gz FLOSXRMRYUVEMV-LSDHHAIUSA-N 1 3 354.441 3.440 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929622 494944734 /nfs/dbraw/zinc/94/47/34/494944734.db2.gz FLOSXRMRYUVEMV-HUUCEWRRSA-N 1 3 354.441 3.440 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211531 494985764 /nfs/dbraw/zinc/98/57/64/494985764.db2.gz XMIOCSKEPPSTSV-YOEHRIQHSA-N 1 3 359.436 3.424 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(F)cc1 ZINC000127950003 495021404 /nfs/dbraw/zinc/02/14/04/495021404.db2.gz WPCTYDDTJJESKU-INIZCTEOSA-N 1 3 357.473 3.010 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000119105676 495094298 /nfs/dbraw/zinc/09/42/98/495094298.db2.gz DSPPKHDRHGHFQP-VNTMZGSJSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000119105676 495094301 /nfs/dbraw/zinc/09/43/01/495094301.db2.gz DSPPKHDRHGHFQP-VNTMZGSJSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000119105676 495094308 /nfs/dbraw/zinc/09/43/08/495094308.db2.gz DSPPKHDRHGHFQP-VNTMZGSJSA-N 1 3 363.546 3.142 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119421362 495163291 /nfs/dbraw/zinc/16/32/91/495163291.db2.gz ZGIWLDGWUXWFFY-KGLIPLIRSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119421362 495163294 /nfs/dbraw/zinc/16/32/94/495163294.db2.gz ZGIWLDGWUXWFFY-KGLIPLIRSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119589541 495196935 /nfs/dbraw/zinc/19/69/35/495196935.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119589541 495196937 /nfs/dbraw/zinc/19/69/37/495196937.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 1 3 372.557 3.165 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000129678960 495279953 /nfs/dbraw/zinc/27/99/53/495279953.db2.gz SBXPZXYACVYKSA-TZIWHRDSSA-N 1 3 372.557 3.053 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000124420710 495284197 /nfs/dbraw/zinc/28/41/97/495284197.db2.gz BWMIRMQHBZBLIQ-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000124420710 495284202 /nfs/dbraw/zinc/28/42/02/495284202.db2.gz BWMIRMQHBZBLIQ-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)cc1F ZINC000124573208 495309633 /nfs/dbraw/zinc/30/96/33/495309633.db2.gz JOSAYRFAHMMEJA-UHFFFAOYSA-N 1 3 367.896 3.076 20 0 FGADHO COc1ccc2oc(CNC3CC[NH+](C4CCN(C)CC4)CC3)cc2c1 ZINC000124620588 495317770 /nfs/dbraw/zinc/31/77/70/495317770.db2.gz ZLFWJTONQAOPDH-UHFFFAOYSA-N 1 3 357.498 3.090 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149855 495340969 /nfs/dbraw/zinc/34/09/69/495340969.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149855 495340971 /nfs/dbraw/zinc/34/09/71/495340971.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000105476709 495365833 /nfs/dbraw/zinc/36/58/33/495365833.db2.gz GBVYPLIVPSEISY-UHFFFAOYSA-N 1 3 362.518 3.066 20 0 FGADHO C[N@H+]1CCCN(CCCNCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000105476709 495365836 /nfs/dbraw/zinc/36/58/36/495365836.db2.gz GBVYPLIVPSEISY-UHFFFAOYSA-N 1 3 362.518 3.066 20 0 FGADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564692 495539210 /nfs/dbraw/zinc/53/92/10/495539210.db2.gz FKLDNRZFWAAQOM-KSZLIROESA-N 1 3 366.571 3.499 20 0 FGADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564692 495539214 /nfs/dbraw/zinc/53/92/14/495539214.db2.gz FKLDNRZFWAAQOM-KSZLIROESA-N 1 3 366.571 3.499 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000154301889 495573931 /nfs/dbraw/zinc/57/39/31/495573931.db2.gz BMRQKCHHYXAOEX-OAHLLOKOSA-N 1 3 352.592 3.427 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531125 505794255 /nfs/dbraw/zinc/79/42/55/505794255.db2.gz LYKPTXKYRFSVML-UPJWGTAASA-N 1 3 362.827 3.192 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159251240 495693800 /nfs/dbraw/zinc/69/38/00/495693800.db2.gz ZLHWDQJKDDXGBX-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CN(c1ccccc1CNC[C@](C)(O)c1cccs1)C1CC[NH+](C)CC1 ZINC000150971018 495698297 /nfs/dbraw/zinc/69/82/97/495698297.db2.gz YCQNYJPJJGRISL-NRFANRHFSA-N 1 3 373.566 3.276 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H](CO)c1ccccc1)C1CCN(C)CC1 ZINC000151088026 495733994 /nfs/dbraw/zinc/73/39/94/495733994.db2.gz ANRHFZPXNFEOGM-OAQYLSRUSA-N 1 3 367.537 3.083 20 0 FGADHO Clc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173949313 495759034 /nfs/dbraw/zinc/75/90/34/495759034.db2.gz ASZPZDVTDNMBOB-UHFFFAOYSA-N 1 3 352.906 3.296 20 0 FGADHO C[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000577847557 505804034 /nfs/dbraw/zinc/80/40/34/505804034.db2.gz VGSDTTQIRRXXTF-XGHQBKJUSA-N 1 3 366.509 3.059 20 0 FGADHO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN(C2CCCCC2)CC1 ZINC000155030807 495809556 /nfs/dbraw/zinc/80/95/56/495809556.db2.gz JNVJWCZWPSZDML-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000171305381 495813421 /nfs/dbraw/zinc/81/34/21/495813421.db2.gz SKCFUZNFKIEYSS-GOSISDBHSA-N 1 3 360.546 3.154 20 0 FGADHO Cc1[nH]nc2ncc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807221 /nfs/dbraw/zinc/80/72/21/505807221.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 1 3 361.493 3.220 20 0 FGADHO Cc1[nH]nc2ncc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807223 /nfs/dbraw/zinc/80/72/23/505807223.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 1 3 361.493 3.220 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180460186 496005035 /nfs/dbraw/zinc/00/50/35/496005035.db2.gz FQYFSRQSQBXQDS-MRXNPFEDSA-N 1 3 374.447 3.199 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000177386130 496041508 /nfs/dbraw/zinc/04/15/08/496041508.db2.gz PANUNIVYHIGRQK-UHFFFAOYSA-N 1 3 373.463 3.086 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000568966419 505820408 /nfs/dbraw/zinc/82/04/08/505820408.db2.gz MMSCJSBLNAOZAW-NRFANRHFSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000568966419 505820412 /nfs/dbraw/zinc/82/04/12/505820412.db2.gz MMSCJSBLNAOZAW-NRFANRHFSA-N 1 3 372.557 3.470 20 0 FGADHO CCC(CC)(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000174685139 496061948 /nfs/dbraw/zinc/06/19/48/496061948.db2.gz QSWHJKLMKVBTSN-UHFFFAOYSA-N 1 3 371.569 3.419 20 0 FGADHO Brc1cncc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000183760995 496107710 /nfs/dbraw/zinc/10/77/10/496107710.db2.gz DPDJXJSRENJDFQ-UHFFFAOYSA-N 1 3 361.287 3.245 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000174812164 496117868 /nfs/dbraw/zinc/11/78/68/496117868.db2.gz VVVUUMRLPYHIKY-QGZVFWFLSA-N 1 3 373.501 3.016 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000174812164 496117876 /nfs/dbraw/zinc/11/78/76/496117876.db2.gz VVVUUMRLPYHIKY-QGZVFWFLSA-N 1 3 373.501 3.016 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914226 496159020 /nfs/dbraw/zinc/15/90/20/496159020.db2.gz YMLGNGAEUSSFLZ-OAQYLSRUSA-N 1 3 359.558 3.380 20 0 FGADHO OC1CC[NH+](Cc2ccccc2CNCC2=Cc3ccccc3OC2)CC1 ZINC000175018169 496210332 /nfs/dbraw/zinc/21/03/32/496210332.db2.gz YJZIYKSQHAPJAX-UHFFFAOYSA-N 1 3 364.489 3.209 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000175018169 496210337 /nfs/dbraw/zinc/21/03/37/496210337.db2.gz YJZIYKSQHAPJAX-UHFFFAOYSA-N 1 3 364.489 3.209 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000161629737 496211569 /nfs/dbraw/zinc/21/15/69/496211569.db2.gz WOALXMLFMNDIBY-WMZOPIPTSA-N 1 3 372.557 3.258 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(CC)C[C@@H]3C)CC2)cs1 ZINC000161776310 496236280 /nfs/dbraw/zinc/23/62/80/496236280.db2.gz IETMZUHPKHEASP-LPHOPBHVSA-N 1 3 364.603 3.237 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000161782410 496237436 /nfs/dbraw/zinc/23/74/36/496237436.db2.gz WOVUDJBGPPPRLZ-QGZVFWFLSA-N 1 3 367.559 3.221 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)nc(C)n1 ZINC000162224615 496316998 /nfs/dbraw/zinc/31/69/98/496316998.db2.gz ILJOQXAEUSZBLV-UHFFFAOYSA-N 1 3 371.573 3.449 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000172568869 496343914 /nfs/dbraw/zinc/34/39/14/496343914.db2.gz CZHRTGHEINWTDS-OAQYLSRUSA-N 1 3 372.557 3.258 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000172568869 496343919 /nfs/dbraw/zinc/34/39/19/496343919.db2.gz CZHRTGHEINWTDS-OAQYLSRUSA-N 1 3 372.557 3.258 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000163092496 496462965 /nfs/dbraw/zinc/46/29/65/496462965.db2.gz CIEFSLRBNGQYIU-JKSUJKDBSA-N 1 3 373.463 3.162 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640582 496477774 /nfs/dbraw/zinc/47/77/74/496477774.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640582 496477776 /nfs/dbraw/zinc/47/77/76/496477776.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000175639401 496477981 /nfs/dbraw/zinc/47/79/81/496477981.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000175639401 496477985 /nfs/dbraw/zinc/47/79/85/496477985.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CCC(CC)N(CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178621541 496519088 /nfs/dbraw/zinc/51/90/88/496519088.db2.gz QQLPANDOFKJRMA-UHFFFAOYSA-N 1 3 366.594 3.401 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](N)c1ccccc1 ZINC000178688555 496541873 /nfs/dbraw/zinc/54/18/73/496541873.db2.gz DGDIAPSDFQPGGB-GCJKJVERSA-N 1 3 365.521 3.146 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164250865 496598682 /nfs/dbraw/zinc/59/86/82/496598682.db2.gz KXNDJZFGPDCKJS-NRFANRHFSA-N 1 3 371.569 3.479 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)CN1CCCC1 ZINC000165287905 496655362 /nfs/dbraw/zinc/65/53/62/496655362.db2.gz WNXQLUMQMSAILT-MSOLQXFVSA-N 1 3 356.514 3.382 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000158238388 496657907 /nfs/dbraw/zinc/65/79/07/496657907.db2.gz UHGIXKGNAHXNDE-KRWDZBQOSA-N 1 3 371.447 3.171 20 0 FGADHO Cc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Oc1cccnc1 ZINC000574810522 505860692 /nfs/dbraw/zinc/86/06/92/505860692.db2.gz JFYYDBFXGBPHPI-LJQANCHMSA-N 1 3 367.493 3.370 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268767943 496780286 /nfs/dbraw/zinc/78/02/86/496780286.db2.gz COFXEWPKBHMVES-JRGCBEDISA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268767943 496780288 /nfs/dbraw/zinc/78/02/88/496780288.db2.gz COFXEWPKBHMVES-JRGCBEDISA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782518 496784095 /nfs/dbraw/zinc/78/40/95/496784095.db2.gz UNHOCCAWRWDCBU-OXJNMPFZSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782518 496784100 /nfs/dbraw/zinc/78/41/00/496784100.db2.gz UNHOCCAWRWDCBU-OXJNMPFZSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000273405752 496797126 /nfs/dbraw/zinc/79/71/26/496797126.db2.gz HPHRKVBOYJAQKQ-LVCYWYKZSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000572003947 505867342 /nfs/dbraw/zinc/86/73/42/505867342.db2.gz SKFVRWUXVBYAOU-ZWKOTPCHSA-N 1 3 357.542 3.221 20 0 FGADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000191564315 496813760 /nfs/dbraw/zinc/81/37/60/496813760.db2.gz FXVHZOPWDVHASO-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134400 496830611 /nfs/dbraw/zinc/83/06/11/496830611.db2.gz PEICGTNEGZFYNA-MJGOQNOKSA-N 1 3 372.534 3.263 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000191613643 496832886 /nfs/dbraw/zinc/83/28/86/496832886.db2.gz OXQKIYZHSANWIA-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000574875321 505873624 /nfs/dbraw/zinc/87/36/24/505873624.db2.gz XUXUYUKMPSXWOA-WMZOPIPTSA-N 1 3 365.949 3.256 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979721 496937520 /nfs/dbraw/zinc/93/75/20/496937520.db2.gz MEJMZKUHMRWOGG-UUXHPUJUSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979721 496937523 /nfs/dbraw/zinc/93/75/23/496937523.db2.gz MEJMZKUHMRWOGG-UUXHPUJUSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979721 496937526 /nfs/dbraw/zinc/93/75/26/496937526.db2.gz MEJMZKUHMRWOGG-UUXHPUJUSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979721 496937529 /nfs/dbraw/zinc/93/75/29/496937529.db2.gz MEJMZKUHMRWOGG-UUXHPUJUSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217852 496973520 /nfs/dbraw/zinc/97/35/20/496973520.db2.gz ZZEAKHHGVUMLDS-WCVJEAGWSA-N 1 3 353.457 3.185 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217852 496973526 /nfs/dbraw/zinc/97/35/26/496973526.db2.gz ZZEAKHHGVUMLDS-WCVJEAGWSA-N 1 3 353.457 3.185 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554118 497037166 /nfs/dbraw/zinc/03/71/66/497037166.db2.gz HPHGWECGPKZWOY-TXPKVOOTSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554118 497037173 /nfs/dbraw/zinc/03/71/73/497037173.db2.gz HPHGWECGPKZWOY-TXPKVOOTSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248554118 497037177 /nfs/dbraw/zinc/03/71/77/497037177.db2.gz HPHGWECGPKZWOY-TXPKVOOTSA-N 1 3 366.933 3.322 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CSCCN2)c1 ZINC000236727109 497138558 /nfs/dbraw/zinc/13/85/58/497138558.db2.gz YTPAVZJTZIBVFH-LJQANCHMSA-N 1 3 363.571 3.020 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CSCCN2)c1 ZINC000236727109 497138561 /nfs/dbraw/zinc/13/85/61/497138561.db2.gz YTPAVZJTZIBVFH-LJQANCHMSA-N 1 3 363.571 3.020 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000236820803 497151618 /nfs/dbraw/zinc/15/16/18/497151618.db2.gz MCSWUSLOBFIMEQ-VZKPYBMVSA-N 1 3 373.541 3.115 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153741 /nfs/dbraw/zinc/15/37/41/497153741.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 1 3 374.573 3.126 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153745 /nfs/dbraw/zinc/15/37/45/497153745.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 1 3 374.573 3.126 20 0 FGADHO CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237035029 497182899 /nfs/dbraw/zinc/18/28/99/497182899.db2.gz MJTSUHQGXQXPFH-LAUBAEHRSA-N 1 3 351.494 3.443 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274885455 497190463 /nfs/dbraw/zinc/19/04/63/497190463.db2.gz IIVNBYUVVROVBC-IFMALSPDSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249683639 497232142 /nfs/dbraw/zinc/23/21/42/497232142.db2.gz CKFSJRNJZRFULM-PZJWPPBQSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249683639 497232149 /nfs/dbraw/zinc/23/21/49/497232149.db2.gz CKFSJRNJZRFULM-PZJWPPBQSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)Cc3ccccc3)cc2)C1 ZINC000237673910 497274277 /nfs/dbraw/zinc/27/42/77/497274277.db2.gz QGILKMIGPBSXKH-AVRDEDQJSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)Cc3ccccc3)cc2)C1 ZINC000237673910 497274283 /nfs/dbraw/zinc/27/42/83/497274283.db2.gz QGILKMIGPBSXKH-AVRDEDQJSA-N 1 3 365.521 3.105 20 0 FGADHO NC[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000237827303 497298520 /nfs/dbraw/zinc/29/85/20/497298520.db2.gz WLOOVZBZHOVEFP-QFIPXVFZSA-N 1 3 365.521 3.421 20 0 FGADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237947537 497318212 /nfs/dbraw/zinc/31/82/12/497318212.db2.gz MSBBOIWGOFZJDD-RTWAWAEBSA-N 1 3 351.494 3.247 20 0 FGADHO CCOC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193300301 497343960 /nfs/dbraw/zinc/34/39/60/497343960.db2.gz GTSPNQWSAKCTJB-UMQXSMKFSA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193300301 497343964 /nfs/dbraw/zinc/34/39/64/497343964.db2.gz GTSPNQWSAKCTJB-UMQXSMKFSA-N 1 3 357.498 3.002 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305263 497345223 /nfs/dbraw/zinc/34/52/23/497345223.db2.gz FVZTYQAYYQOMFV-CZUORRHYSA-N 1 3 359.436 3.332 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000572148871 505901588 /nfs/dbraw/zinc/90/15/88/505901588.db2.gz GLXCAZOKTFYCBC-KRWDZBQOSA-N 1 3 354.922 3.098 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245200840 497375334 /nfs/dbraw/zinc/37/53/34/497375334.db2.gz DESWCSMRNKIGFZ-CEXWTWQISA-N 1 3 357.542 3.071 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709838 497410617 /nfs/dbraw/zinc/41/06/17/497410617.db2.gz UNOIDRIYRVZBHI-NQIIRXRSSA-N 1 3 370.541 3.271 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000275709838 497410620 /nfs/dbraw/zinc/41/06/20/497410620.db2.gz UNOIDRIYRVZBHI-NQIIRXRSSA-N 1 3 370.541 3.271 20 0 FGADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OCc1ccncc1 ZINC000271859102 497472098 /nfs/dbraw/zinc/47/20/98/497472098.db2.gz VRAYBYVGMOYVKX-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OCc1ccncc1 ZINC000271859102 497472102 /nfs/dbraw/zinc/47/21/02/497472102.db2.gz VRAYBYVGMOYVKX-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271892437 497481246 /nfs/dbraw/zinc/48/12/46/497481246.db2.gz SFVAKBJTRCANNM-ZDUSSCGKSA-N 1 3 366.303 3.018 20 0 FGADHO CC[N@@H+]1CC[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652733 497490027 /nfs/dbraw/zinc/49/00/27/497490027.db2.gz BUACBRLMAJXVIQ-AVRDEDQJSA-N 1 3 356.558 3.361 20 0 FGADHO CC[N@H+]1CC[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652733 497490029 /nfs/dbraw/zinc/49/00/29/497490029.db2.gz BUACBRLMAJXVIQ-AVRDEDQJSA-N 1 3 356.558 3.361 20 0 FGADHO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262177507 497519890 /nfs/dbraw/zinc/51/98/90/497519890.db2.gz BGBXUTXPCMTGPR-HKHIRDCPSA-N 1 3 369.553 3.263 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378328 497546941 /nfs/dbraw/zinc/54/69/41/497546941.db2.gz MRIOSSFNYYZOPT-DYVFJYSZSA-N 1 3 371.447 3.060 20 0 FGADHO CN(c1ccccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000245923957 497572377 /nfs/dbraw/zinc/57/23/77/497572377.db2.gz HJUBYRLHBXQXTD-KNQAVFIVSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000245923957 497572381 /nfs/dbraw/zinc/57/23/81/497572381.db2.gz HJUBYRLHBXQXTD-KNQAVFIVSA-N 1 3 359.558 3.200 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000276453236 497578215 /nfs/dbraw/zinc/57/82/15/497578215.db2.gz LXJFZBUIBZDMHA-RTWAWAEBSA-N 1 3 366.509 3.358 20 0 FGADHO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000262644803 497589370 /nfs/dbraw/zinc/58/93/70/497589370.db2.gz NEKRLOBZYJXFNF-KKSFZXQISA-N 1 3 366.509 3.467 20 0 FGADHO C[C@@H](CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000262649654 497590971 /nfs/dbraw/zinc/59/09/71/497590971.db2.gz QERQZIWDJLMTIF-WFXMLNOXSA-N 1 3 353.510 3.349 20 0 FGADHO C[C@@H](CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000262649654 497590976 /nfs/dbraw/zinc/59/09/76/497590976.db2.gz QERQZIWDJLMTIF-WFXMLNOXSA-N 1 3 353.510 3.349 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262659993 497594408 /nfs/dbraw/zinc/59/44/08/497594408.db2.gz FTAQLOHHQOOXHO-UWJYYQICSA-N 1 3 353.510 3.479 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262659993 497594414 /nfs/dbraw/zinc/59/44/14/497594414.db2.gz FTAQLOHHQOOXHO-UWJYYQICSA-N 1 3 353.510 3.479 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262684284 497599862 /nfs/dbraw/zinc/59/98/62/497599862.db2.gz ZTVAHEAKURNAJS-GGPKGHCWSA-N 1 3 357.542 3.354 20 0 FGADHO C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123906 497629752 /nfs/dbraw/zinc/62/97/52/497629752.db2.gz AIWXBHIFGAKDPI-RBUKOAKNSA-N 1 3 374.573 3.269 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000268042117 497666381 /nfs/dbraw/zinc/66/63/81/497666381.db2.gz YNHUBPCPPRHFJE-GIVPXCGWSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000268042117 497666385 /nfs/dbraw/zinc/66/63/85/497666385.db2.gz YNHUBPCPPRHFJE-GIVPXCGWSA-N 1 3 372.557 3.114 20 0 FGADHO C(C[NH+]1CCCC1)OC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190977536 497669432 /nfs/dbraw/zinc/66/94/32/497669432.db2.gz SNXYEKASHISKBY-FQEVSTJZSA-N 1 3 350.547 3.445 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246348241 497703899 /nfs/dbraw/zinc/70/38/99/497703899.db2.gz CUFUFSOMKZAHBM-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246348241 497703901 /nfs/dbraw/zinc/70/39/01/497703901.db2.gz CUFUFSOMKZAHBM-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272730843 497714144 /nfs/dbraw/zinc/71/41/44/497714144.db2.gz INJUFDADSDQUPT-WIYYLYMNSA-N 1 3 352.478 3.039 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272730843 497714150 /nfs/dbraw/zinc/71/41/50/497714150.db2.gz INJUFDADSDQUPT-WIYYLYMNSA-N 1 3 352.478 3.039 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723825 /nfs/dbraw/zinc/72/38/25/497723825.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723833 /nfs/dbraw/zinc/72/38/33/497723833.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442738 497736518 /nfs/dbraw/zinc/73/65/18/497736518.db2.gz IACXPCXCHFMIQT-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442738 497736523 /nfs/dbraw/zinc/73/65/23/497736523.db2.gz IACXPCXCHFMIQT-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246462542 497742231 /nfs/dbraw/zinc/74/22/31/497742231.db2.gz NOXZZDLCAVCFOK-TYPHKJRUSA-N 1 3 373.516 3.123 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246462542 497742236 /nfs/dbraw/zinc/74/22/36/497742236.db2.gz NOXZZDLCAVCFOK-TYPHKJRUSA-N 1 3 373.516 3.123 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262182 497744344 /nfs/dbraw/zinc/74/43/44/497744344.db2.gz RCEQPADPNANEHG-QKNQBKEWSA-N 1 3 361.530 3.102 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4sccc4c3)CC2)CC1 ZINC000268516970 497770637 /nfs/dbraw/zinc/77/06/37/497770637.db2.gz UASZIJFMVMRFLJ-UHFFFAOYSA-N 1 3 357.523 3.190 20 0 FGADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704590 497801950 /nfs/dbraw/zinc/80/19/50/497801950.db2.gz RRHSYSAYOPYLRA-NHCUHLMSSA-N 1 3 355.526 3.128 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3CCCC4)CC2)CC1 ZINC000299506290 497828442 /nfs/dbraw/zinc/82/84/42/497828442.db2.gz XYNFYYVNSPLYBT-UHFFFAOYSA-N 1 3 370.541 3.246 20 0 FGADHO C[C@@H](CN1CCC(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000296009572 497889886 /nfs/dbraw/zinc/88/98/86/497889886.db2.gz LOTAOOVJBKJCCS-INIZCTEOSA-N 1 3 351.485 3.028 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311392 497892501 /nfs/dbraw/zinc/89/25/01/497892501.db2.gz BLLQXOKITLVMMI-LAUBAEHRSA-N 1 3 369.534 3.440 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311392 497892506 /nfs/dbraw/zinc/89/25/06/497892506.db2.gz BLLQXOKITLVMMI-LAUBAEHRSA-N 1 3 369.534 3.440 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292175875 497910649 /nfs/dbraw/zinc/91/06/49/497910649.db2.gz OILVAIDENQFUDB-KRWDZBQOSA-N 1 3 366.509 3.351 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281347 497952286 /nfs/dbraw/zinc/95/22/86/497952286.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 1 3 371.569 3.084 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281347 497952293 /nfs/dbraw/zinc/95/22/93/497952293.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 1 3 371.569 3.084 20 0 FGADHO Brc1cnn(C2CC[NH+](CCCN3CCCCC3)CC2)c1 ZINC000364591457 498039873 /nfs/dbraw/zinc/03/98/73/498039873.db2.gz NDFHDSNRDOXFEA-UHFFFAOYSA-N 1 3 355.324 3.159 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000572451960 505972017 /nfs/dbraw/zinc/97/20/17/505972017.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000572451960 505972021 /nfs/dbraw/zinc/97/20/21/505972021.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483602 505979713 /nfs/dbraw/zinc/97/97/13/505979713.db2.gz HJHSAIPQGXFNER-BULFRSBZSA-N 1 3 365.521 3.339 20 0 FGADHO O=C(NCCCCCCC[NH+]1CCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289375140 498124658 /nfs/dbraw/zinc/12/46/58/498124658.db2.gz ARYBHRGCCYWBDB-PMACEKPBSA-N 1 3 372.509 3.453 20 0 FGADHO O=C1O[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130301 /nfs/dbraw/zinc/13/03/01/498130301.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130296 /nfs/dbraw/zinc/13/02/96/498130296.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 1 3 354.494 3.070 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148071 /nfs/dbraw/zinc/14/80/71/498148071.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 1 3 363.505 3.144 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148077 /nfs/dbraw/zinc/14/80/77/498148077.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 1 3 363.505 3.144 20 0 FGADHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289628209 498223486 /nfs/dbraw/zinc/22/34/86/498223486.db2.gz GDNVWUYIROXASS-UHFFFAOYSA-N 1 3 372.456 3.310 20 0 FGADHO COC[C@]1(C)CCN(Cc2ccccc2C[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000296915484 498250416 /nfs/dbraw/zinc/25/04/16/498250416.db2.gz WMSMEDNKZVBMNH-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CCN(Cc2ccccc2C[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000296915484 498250421 /nfs/dbraw/zinc/25/04/21/498250421.db2.gz WMSMEDNKZVBMNH-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000293087914 498263079 /nfs/dbraw/zinc/26/30/79/498263079.db2.gz WUTSDSGEBZNDNO-GOSISDBHSA-N 1 3 373.520 3.078 20 0 FGADHO Cc1cc([C@@H](C)NCCCOC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000282221491 498428047 /nfs/dbraw/zinc/42/80/47/498428047.db2.gz OXXPWBIEQVPHNF-LJQANCHMSA-N 1 3 370.541 3.450 20 0 FGADHO Cc1cc([C@@H]2CCCN(CCC[N@@H+]3CCC[C@@H](c4cc(C)[nH]n4)C3)C2)n[nH]1 ZINC000365389121 498438687 /nfs/dbraw/zinc/43/86/87/498438687.db2.gz JFMJHUWMXSMNTP-RTBURBONSA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@@H]2CCCN(CCC[N@H+]3CCC[C@@H](c4cc(C)[nH]n4)C3)C2)n[nH]1 ZINC000365389121 498438696 /nfs/dbraw/zinc/43/86/96/498438696.db2.gz JFMJHUWMXSMNTP-RTBURBONSA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@@H]2CCCN(CCC[N@@H+]3CCC[C@@H](c4cc(C)n[nH]4)C3)C2)[nH]n1 ZINC000365389121 498438702 /nfs/dbraw/zinc/43/87/02/498438702.db2.gz JFMJHUWMXSMNTP-RTBURBONSA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@@H]2CCCN(CCC[N@H+]3CCC[C@@H](c4cc(C)n[nH]4)C3)C2)[nH]n1 ZINC000365389121 498438705 /nfs/dbraw/zinc/43/87/05/498438705.db2.gz JFMJHUWMXSMNTP-RTBURBONSA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@H]2CCCN(CCC[N@@H+]3CCC[C@H](c4cc(C)[nH]n4)C3)C2)n[nH]1 ZINC000365389120 498439489 /nfs/dbraw/zinc/43/94/89/498439489.db2.gz JFMJHUWMXSMNTP-OALUTQOASA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@H]2CCCN(CCC[N@H+]3CCC[C@H](c4cc(C)[nH]n4)C3)C2)n[nH]1 ZINC000365389120 498439496 /nfs/dbraw/zinc/43/94/96/498439496.db2.gz JFMJHUWMXSMNTP-OALUTQOASA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@H]2CCCN(CCC[N@@H+]3CCC[C@H](c4cc(C)n[nH]4)C3)C2)[nH]n1 ZINC000365389120 498439506 /nfs/dbraw/zinc/43/95/06/498439506.db2.gz JFMJHUWMXSMNTP-OALUTQOASA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc([C@H]2CCCN(CCC[N@H+]3CCC[C@H](c4cc(C)n[nH]4)C3)C2)[nH]n1 ZINC000365389120 498439512 /nfs/dbraw/zinc/43/95/12/498439512.db2.gz JFMJHUWMXSMNTP-OALUTQOASA-N 1 3 370.545 3.199 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1)C(C)C ZINC000362020383 498454664 /nfs/dbraw/zinc/45/46/64/498454664.db2.gz HAMWRUMMZKBFPQ-UHFFFAOYSA-N 1 3 352.482 3.210 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1)C(C)C ZINC000362020383 498454672 /nfs/dbraw/zinc/45/46/72/498454672.db2.gz HAMWRUMMZKBFPQ-UHFFFAOYSA-N 1 3 352.482 3.210 20 0 FGADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(C)c1O ZINC000290371736 498526987 /nfs/dbraw/zinc/52/69/87/498526987.db2.gz NKYWRLMLDLQCTK-OAQYLSRUSA-N 1 3 354.494 3.256 20 0 FGADHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(C)c1O ZINC000290371736 498526990 /nfs/dbraw/zinc/52/69/90/498526990.db2.gz NKYWRLMLDLQCTK-OAQYLSRUSA-N 1 3 354.494 3.256 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000578904661 506049247 /nfs/dbraw/zinc/04/92/47/506049247.db2.gz QFLOIWJQFDJNKZ-OAQYLSRUSA-N 1 3 373.516 3.126 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703709 498541075 /nfs/dbraw/zinc/54/10/75/498541075.db2.gz RROONGSNKBSZOW-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703709 498541080 /nfs/dbraw/zinc/54/10/80/498541080.db2.gz RROONGSNKBSZOW-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO c1coc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCCC2)c1 ZINC000294101006 498588391 /nfs/dbraw/zinc/58/83/91/498588391.db2.gz BZFMJXGVVJOHLW-HXUWFJFHSA-N 1 3 354.498 3.460 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4c3cccc4C)CC2)CC1 ZINC000572853832 506068482 /nfs/dbraw/zinc/06/84/82/506068482.db2.gz PJUQLTPFCFYLFQ-QFIPXVFZSA-N 1 3 369.553 3.295 20 0 FGADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N(C)C1CC1 ZINC000303267932 498660011 /nfs/dbraw/zinc/66/00/11/498660011.db2.gz IZGHFCHAFZHGQS-SFHVURJKSA-N 1 3 372.557 3.200 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879662 498684624 /nfs/dbraw/zinc/68/46/24/498684624.db2.gz KIPWNAQXKCNVJI-FCHUYYIVSA-N 1 3 369.553 3.374 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879662 498684631 /nfs/dbraw/zinc/68/46/31/498684631.db2.gz KIPWNAQXKCNVJI-FCHUYYIVSA-N 1 3 369.553 3.374 20 0 FGADHO O=C1CCCN1C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298269828 498717362 /nfs/dbraw/zinc/71/73/62/498717362.db2.gz GICHRXQNTCBMPK-NRFANRHFSA-N 1 3 364.493 3.004 20 0 FGADHO Fc1ccc2c(c1)OC[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000581895813 506084881 /nfs/dbraw/zinc/08/48/81/506084881.db2.gz QJGYTCVMQIUCCK-NRFANRHFSA-N 1 3 354.469 3.426 20 0 FGADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@@H](N)c1ccccc1 ZINC000366336205 498879276 /nfs/dbraw/zinc/87/92/76/498879276.db2.gz ZJPXAHZUMSVAKN-WIYYLYMNSA-N 1 3 357.542 3.293 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295020761 498881443 /nfs/dbraw/zinc/88/14/43/498881443.db2.gz NEUWJLZGPYQCFW-MIGBEJBISA-N 1 3 363.933 3.292 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295020761 498881450 /nfs/dbraw/zinc/88/14/50/498881450.db2.gz NEUWJLZGPYQCFW-MIGBEJBISA-N 1 3 363.933 3.292 20 0 FGADHO COc1cccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881273 498905703 /nfs/dbraw/zinc/90/57/03/498905703.db2.gz KESXZMJLZNDWEA-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881273 498905707 /nfs/dbraw/zinc/90/57/07/498905707.db2.gz KESXZMJLZNDWEA-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000298881273 498905708 /nfs/dbraw/zinc/90/57/08/498905708.db2.gz KESXZMJLZNDWEA-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000582068060 506126093 /nfs/dbraw/zinc/12/60/93/506126093.db2.gz VBRWECUFFOFQRG-OAQYLSRUSA-N 1 3 372.557 3.230 20 0 FGADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000291650504 499023522 /nfs/dbraw/zinc/02/35/22/499023522.db2.gz KPHSUOOVWZZZKW-FQEVSTJZSA-N 1 3 357.542 3.135 20 0 FGADHO Clc1ccc(-c2cc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)on2)cc1 ZINC000333852204 499088049 /nfs/dbraw/zinc/08/80/49/499088049.db2.gz NVKAPHRAAIICNW-MJGOQNOKSA-N 1 3 373.884 3.195 20 0 FGADHO C[N@H+](C[C@H]1CCC2(CCCCC2)O1)C1CCN(C2CCOCC2)CC1 ZINC000364142319 499123032 /nfs/dbraw/zinc/12/30/32/499123032.db2.gz KMVRVIJAORSRGG-HXUWFJFHSA-N 1 3 350.547 3.444 20 0 FGADHO C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C1CCN(C2CCOCC2)CC1 ZINC000364142319 499123035 /nfs/dbraw/zinc/12/30/35/499123035.db2.gz KMVRVIJAORSRGG-HXUWFJFHSA-N 1 3 350.547 3.444 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(C3)CCCCC4)CC2)CC1 ZINC000579266895 506132380 /nfs/dbraw/zinc/13/23/80/506132380.db2.gz UDZPGCBPDIWMRY-UHFFFAOYSA-N 1 3 361.574 3.366 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000367259306 499169305 /nfs/dbraw/zinc/16/93/05/499169305.db2.gz HOYMOEATOQCTBQ-JOCHJYFZSA-N 1 3 371.569 3.133 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC([NH2+]C4CCCC4)CC3)CC2)cc1 ZINC000367551867 499211609 /nfs/dbraw/zinc/21/16/09/499211609.db2.gz CDLJMMHFBFSBEA-UHFFFAOYSA-N 1 3 370.585 3.195 20 0 FGADHO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000367681872 499224407 /nfs/dbraw/zinc/22/44/07/499224407.db2.gz DHQOXUAHWKOVOU-SFHVURJKSA-N 1 3 354.498 3.249 20 0 FGADHO COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000367681872 499224409 /nfs/dbraw/zinc/22/44/09/499224409.db2.gz DHQOXUAHWKOVOU-SFHVURJKSA-N 1 3 354.498 3.249 20 0 FGADHO CN(C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367700200 499225983 /nfs/dbraw/zinc/22/59/83/499225983.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 1 3 351.535 3.191 20 0 FGADHO CN(C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367700200 499225984 /nfs/dbraw/zinc/22/59/84/499225984.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 1 3 351.535 3.191 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370705834 499246462 /nfs/dbraw/zinc/24/64/62/499246462.db2.gz JOFWWFBXPGPUGM-XXBNENTESA-N 1 3 364.537 3.206 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026068 499256737 /nfs/dbraw/zinc/25/67/37/499256737.db2.gz ZVLZFUIPBGNNQK-FBEWHJACSA-N 1 3 368.525 3.425 20 0 FGADHO CCC[NH+]1CCC(N2CCN(CCCOCCc3ccccc3)CC2)CC1 ZINC000371619655 499348091 /nfs/dbraw/zinc/34/80/91/499348091.db2.gz BSTUYHDUZOOYSQ-UHFFFAOYSA-N 1 3 373.585 3.128 20 0 FGADHO C(=C/C[NH+]1CCC([C@H]2CCOC2)CC1)\CN1CCC([C@H]2CCOC2)CC1 ZINC000371742208 499360621 /nfs/dbraw/zinc/36/06/21/499360621.db2.gz CQEKUYHXDWZNHK-HNSCLNPNSA-N 1 3 362.558 3.040 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157251 499454279 /nfs/dbraw/zinc/45/42/79/499454279.db2.gz ZJERWQSOLDAMKE-ATZDWAIDSA-N 1 3 368.468 3.310 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157251 499454280 /nfs/dbraw/zinc/45/42/80/499454280.db2.gz ZJERWQSOLDAMKE-ATZDWAIDSA-N 1 3 368.468 3.310 20 0 FGADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310969 499505857 /nfs/dbraw/zinc/50/58/57/499505857.db2.gz SMOWKUNJSSFXQT-HXUWFJFHSA-N 1 3 354.498 3.060 20 0 FGADHO C(=C/C[NH+]1CCC2(CCOCC2)CC1)\CN1CCC2(CCOCC2)CC1 ZINC000375388519 499512967 /nfs/dbraw/zinc/51/29/67/499512967.db2.gz FRZLPDWMPYCPIR-OWOJBTEDSA-N 1 3 362.558 3.328 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593651 499536084 /nfs/dbraw/zinc/53/60/84/499536084.db2.gz YYOKFOAERJTNSP-YFXJRYMSSA-N 1 3 365.521 3.464 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732918 499546208 /nfs/dbraw/zinc/54/62/08/499546208.db2.gz DAHIGKXNTKNVRO-DYXWJJEUSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766712 499546250 /nfs/dbraw/zinc/54/62/50/499546250.db2.gz VYQZYAKNTYFJFW-DXIQSLLYSA-N 1 3 365.521 3.446 20 0 FGADHO Brc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000389683850 499552947 /nfs/dbraw/zinc/55/29/47/499552947.db2.gz IBDULKPHPJADGS-OKILXGFUSA-N 1 3 360.299 3.429 20 0 FGADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@H]2CCC[C@H]21 ZINC000375862352 499563089 /nfs/dbraw/zinc/56/30/89/499563089.db2.gz RNRYSDJJYAHZOO-BHIFYINESA-N 1 3 357.542 3.176 20 0 FGADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@H]2CCC[C@H]21 ZINC000375862352 499563091 /nfs/dbraw/zinc/56/30/91/499563091.db2.gz RNRYSDJJYAHZOO-BHIFYINESA-N 1 3 357.542 3.176 20 0 FGADHO CN1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)(N2CCCCC2)CC1 ZINC000376130538 499585242 /nfs/dbraw/zinc/58/52/42/499585242.db2.gz ISLLAWDCMWQWND-HXUWFJFHSA-N 1 3 360.521 3.212 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCN2CCCCC2)C1 ZINC000410349820 499656944 /nfs/dbraw/zinc/65/69/44/499656944.db2.gz HGMMNBNICAHIKQ-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCN2CCCCC2)C1 ZINC000410349820 499656946 /nfs/dbraw/zinc/65/69/46/499656946.db2.gz HGMMNBNICAHIKQ-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO CN1CCC2(CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112658 499663254 /nfs/dbraw/zinc/66/32/54/499663254.db2.gz LIXYTFKBVWQVGP-IBGZPJMESA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC2(CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112658 499663256 /nfs/dbraw/zinc/66/32/56/499663256.db2.gz LIXYTFKBVWQVGP-IBGZPJMESA-N 1 3 351.535 3.194 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H]1CCOc2ccccc21 ZINC000377381984 499685341 /nfs/dbraw/zinc/68/53/41/499685341.db2.gz KACVPWSSUDKYSC-KRWDZBQOSA-N 1 3 355.482 3.068 20 0 FGADHO CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279718 499721096 /nfs/dbraw/zinc/72/10/96/499721096.db2.gz CJCWWZSDTCJGMO-FGZHOGPDSA-N 1 3 372.553 3.424 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000377731326 499726011 /nfs/dbraw/zinc/72/60/11/499726011.db2.gz DGUDJXIKNQKISL-JOCHJYFZSA-N 1 3 371.569 3.086 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000411453193 499742373 /nfs/dbraw/zinc/74/23/73/499742373.db2.gz JJHYNQWVLDZGOQ-OAQYLSRUSA-N 1 3 361.505 3.247 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883686 499745229 /nfs/dbraw/zinc/74/52/29/499745229.db2.gz KOKXOXAOGCVYNJ-BDTNDASRSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883686 499745231 /nfs/dbraw/zinc/74/52/31/499745231.db2.gz KOKXOXAOGCVYNJ-BDTNDASRSA-N 1 3 363.505 3.123 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 ZINC000411476186 499745569 /nfs/dbraw/zinc/74/55/69/499745569.db2.gz GNBUVXYDGPGUSX-LXGCGDOSSA-N 1 3 363.933 3.227 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000411494167 499747433 /nfs/dbraw/zinc/74/74/33/499747433.db2.gz ZSAXXDYVXYPMED-NRFANRHFSA-N 1 3 357.542 3.497 20 0 FGADHO CN1CCO[C@H]([C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199371 499768095 /nfs/dbraw/zinc/76/80/95/499768095.db2.gz WUPXERYPSHHHDV-UXPWSPDFSA-N 1 3 365.949 3.033 20 0 FGADHO CN1CCO[C@H]([C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199371 499768097 /nfs/dbraw/zinc/76/80/97/499768097.db2.gz WUPXERYPSHHHDV-UXPWSPDFSA-N 1 3 365.949 3.033 20 0 FGADHO O[C@H]([C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798835 499791917 /nfs/dbraw/zinc/79/19/17/499791917.db2.gz JQANEXUZYYQDHC-QZTJIDSGSA-N 1 3 356.432 3.418 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cccc(Cl)c3)cc2)CC1 ZINC000414558106 499808666 /nfs/dbraw/zinc/80/86/66/499808666.db2.gz RDSSPBHCEVFDQZ-UHFFFAOYSA-N 1 3 371.912 3.327 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990104 499810197 /nfs/dbraw/zinc/81/01/97/499810197.db2.gz SEBUGPSOTIMEEV-OAQYLSRUSA-N 1 3 369.553 3.245 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706111 499821539 /nfs/dbraw/zinc/82/15/39/499821539.db2.gz OLAAOGFVUVIEPW-VQIMIIECSA-N 1 3 363.933 3.454 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706111 499821540 /nfs/dbraw/zinc/82/15/40/499821540.db2.gz OLAAOGFVUVIEPW-VQIMIIECSA-N 1 3 363.933 3.454 20 0 FGADHO Clc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784260 499830628 /nfs/dbraw/zinc/83/06/28/499830628.db2.gz RAVSTQVAOUFKPT-JKSUJKDBSA-N 1 3 350.890 3.323 20 0 FGADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414802488 499832843 /nfs/dbraw/zinc/83/28/43/499832843.db2.gz BRLFQFBGUHYUAC-GFCCVEGCSA-N 1 3 356.308 3.273 20 0 FGADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801745 499832900 /nfs/dbraw/zinc/83/29/00/499832900.db2.gz MCDGLJXKJHCPNH-RTBURBONSA-N 1 3 355.482 3.276 20 0 FGADHO NC[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C1CC1 ZINC000414815066 499833998 /nfs/dbraw/zinc/83/39/98/499833998.db2.gz ZWBWMCDXFRBWJY-CQSZACIVSA-N 1 3 352.301 3.400 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855895 499838259 /nfs/dbraw/zinc/83/82/59/499838259.db2.gz XUXPBVKEKWLHFQ-SWLSCSKDSA-N 1 3 356.308 3.129 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414908147 499843613 /nfs/dbraw/zinc/84/36/13/499843613.db2.gz RHNLQRVJJOFOQS-QWHCGFSZSA-N 1 3 359.392 3.034 20 0 FGADHO COCC1(CNCc2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000414967014 499849511 /nfs/dbraw/zinc/84/95/11/499849511.db2.gz CNNOLUGNZSYIDM-UHFFFAOYSA-N 1 3 361.711 3.208 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412382239 499850273 /nfs/dbraw/zinc/85/02/73/499850273.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412382239 499850274 /nfs/dbraw/zinc/85/02/74/499850274.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@]1(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]C1 ZINC000415076882 499861268 /nfs/dbraw/zinc/86/12/68/499861268.db2.gz BPMVGLTUPDXUSC-QGZVFWFLSA-N 1 3 356.432 3.343 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126365 499867092 /nfs/dbraw/zinc/86/70/92/499867092.db2.gz MAXGTXXICYRFIU-SJORKVTESA-N 1 3 358.404 3.304 20 0 FGADHO Brc1cccc(CN2CCC([NH2+][C@@H]3CCCNCC3)CC2)c1 ZINC000415140863 499869635 /nfs/dbraw/zinc/86/96/35/499869635.db2.gz NUNURQADVQZISJ-QGZVFWFLSA-N 1 3 366.347 3.145 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314626 499885618 /nfs/dbraw/zinc/88/56/18/499885618.db2.gz XXMKRJZZPYQIQI-YLJYHZDGSA-N 1 3 374.529 3.190 20 0 FGADHO COc1cc2nccc(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2cc1OC ZINC000413204987 499926650 /nfs/dbraw/zinc/92/66/50/499926650.db2.gz PCSPYGDALLFTAF-INIZCTEOSA-N 1 3 355.482 3.420 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977783 499936460 /nfs/dbraw/zinc/93/64/60/499936460.db2.gz YRNRNGCKNNAFER-DYESRHJHSA-N 1 3 366.509 3.438 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983057 499937182 /nfs/dbraw/zinc/93/71/82/499937182.db2.gz YVKZFSPXHDOZKC-INIZCTEOSA-N 1 3 352.482 3.492 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415997331 499939155 /nfs/dbraw/zinc/93/91/55/499939155.db2.gz PANWDABRZVGOGJ-UHFFFAOYSA-N 1 3 352.482 3.405 20 0 FGADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415999147 499939515 /nfs/dbraw/zinc/93/95/15/499939515.db2.gz UNTWBPJLNCZPEP-UHFFFAOYSA-N 1 3 356.514 3.410 20 0 FGADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415999147 499939516 /nfs/dbraw/zinc/93/95/16/499939516.db2.gz UNTWBPJLNCZPEP-UHFFFAOYSA-N 1 3 356.514 3.410 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036128 499954024 /nfs/dbraw/zinc/95/40/24/499954024.db2.gz SOIGUUYJLSVIHP-UZLBHIALSA-N 1 3 354.498 3.013 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416160709 499963877 /nfs/dbraw/zinc/96/38/77/499963877.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 1 3 371.569 3.405 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416160709 499963880 /nfs/dbraw/zinc/96/38/80/499963880.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 1 3 371.569 3.405 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293179 500030638 /nfs/dbraw/zinc/03/06/38/500030638.db2.gz DZUJYBGIZOXTQZ-WOSRLPQWSA-N 1 3 374.451 3.123 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421391672 500036135 /nfs/dbraw/zinc/03/61/35/500036135.db2.gz AUYNEIIQRSZSEO-FQEVSTJZSA-N 1 3 359.558 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421391672 500036139 /nfs/dbraw/zinc/03/61/39/500036139.db2.gz AUYNEIIQRSZSEO-FQEVSTJZSA-N 1 3 359.558 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421391674 500036277 /nfs/dbraw/zinc/03/62/77/500036277.db2.gz AUYNEIIQRSZSEO-HXUWFJFHSA-N 1 3 359.558 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421391674 500036280 /nfs/dbraw/zinc/03/62/80/500036280.db2.gz AUYNEIIQRSZSEO-HXUWFJFHSA-N 1 3 359.558 3.203 20 0 FGADHO O=C(NCC[NH2+]C1CCCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000429545155 500098314 /nfs/dbraw/zinc/09/83/14/500098314.db2.gz BXHQPDKVGSTDJK-UHFFFAOYSA-N 1 3 357.542 3.327 20 0 FGADHO C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000417578067 500115020 /nfs/dbraw/zinc/11/50/20/500115020.db2.gz KMRKVPOMCISYGX-LJQANCHMSA-N 1 3 368.525 3.068 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000416834186 500133843 /nfs/dbraw/zinc/13/38/43/500133843.db2.gz DFQWZUULUHDKAI-FQEVSTJZSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417675163 500146017 /nfs/dbraw/zinc/14/60/17/500146017.db2.gz BHCQVJGYOVLRNP-PXNSSMCTSA-N 1 3 374.573 3.276 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000579453050 506178651 /nfs/dbraw/zinc/17/86/51/506178651.db2.gz XBIXVHRWPOZATD-HXUWFJFHSA-N 1 3 358.530 3.126 20 0 FGADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414088599 500150592 /nfs/dbraw/zinc/15/05/92/500150592.db2.gz CBCJYSBCQPBZPD-SFHVURJKSA-N 1 3 356.514 3.142 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824551 500160158 /nfs/dbraw/zinc/16/01/58/500160158.db2.gz JHVVXVGSQDZNAA-JKSUJKDBSA-N 1 3 353.938 3.273 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000417827172 500179825 /nfs/dbraw/zinc/17/98/25/500179825.db2.gz CWIYCZHVDJVQBV-PKOBYXMFSA-N 1 3 358.530 3.000 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccsc1 ZINC000417002680 500181182 /nfs/dbraw/zinc/18/11/82/500181182.db2.gz GFNFVYDDXJLAFJ-LJQANCHMSA-N 1 3 374.554 3.302 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccsc1 ZINC000417008308 500182962 /nfs/dbraw/zinc/18/29/62/500182962.db2.gz MDFJDTSQXSBNQF-MRXNPFEDSA-N 1 3 352.548 3.092 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000422186678 500229670 /nfs/dbraw/zinc/22/96/70/500229670.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000422186678 500229671 /nfs/dbraw/zinc/22/96/71/500229671.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418161123 500239680 /nfs/dbraw/zinc/23/96/80/500239680.db2.gz SNEFANTYKOIWJC-RBUKOAKNSA-N 1 3 360.546 3.104 20 0 FGADHO CCCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)C1CC[NH2+]CC1 ZINC000418162185 500239831 /nfs/dbraw/zinc/23/98/31/500239831.db2.gz CGCSIVMQPSCXEZ-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000422246744 500241048 /nfs/dbraw/zinc/24/10/48/500241048.db2.gz UFTYMWVGZIKBRN-CBNMVNINSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000418188912 500245692 /nfs/dbraw/zinc/24/56/92/500245692.db2.gz UWOUUEFNIZOYGQ-PWIZWCRZSA-N 1 3 372.557 3.097 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)N(CC)CC)cc1 ZINC000418215423 500250635 /nfs/dbraw/zinc/25/06/35/500250635.db2.gz MXBYOKLNSQDBDL-UXPWSPDFSA-N 1 3 360.546 3.011 20 0 FGADHO [NH3+]CCCOC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430564842 500255419 /nfs/dbraw/zinc/25/54/19/500255419.db2.gz CTLACFCRPRJHIZ-UHFFFAOYSA-N 1 3 367.493 3.269 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601409 500260939 /nfs/dbraw/zinc/26/09/39/500260939.db2.gz TZWUSUISPVSBRL-YRISNDGFSA-N 1 3 371.550 3.403 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418355393 500267626 /nfs/dbraw/zinc/26/76/26/500267626.db2.gz BKEMAOPBRKTFES-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418457125 500278802 /nfs/dbraw/zinc/27/88/02/500278802.db2.gz GNRMXFXHYSVELU-KRWDZBQOSA-N 1 3 368.525 3.500 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCCN1 ZINC000422701814 500287105 /nfs/dbraw/zinc/28/71/05/500287105.db2.gz CPHKCXGHOHIXFJ-IJEWVQPXSA-N 1 3 352.320 3.148 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707515 500287881 /nfs/dbraw/zinc/28/78/81/500287881.db2.gz AGQHYBXSFIAMJO-FDFHNCONSA-N 1 3 353.510 3.430 20 0 FGADHO CN(CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716666 500289232 /nfs/dbraw/zinc/28/92/32/500289232.db2.gz NPUSQOATNXISPD-SIKLNZKXSA-N 1 3 369.484 3.498 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000430812189 500289321 /nfs/dbraw/zinc/28/93/21/500289321.db2.gz UWVZAEZGDKLESQ-PDOICOKGSA-N 1 3 363.571 3.273 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719270 500289585 /nfs/dbraw/zinc/28/95/85/500289585.db2.gz YFWXEYVNZCPNOF-JLJPHGGASA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719270 500289587 /nfs/dbraw/zinc/28/95/87/500289587.db2.gz YFWXEYVNZCPNOF-JLJPHGGASA-N 1 3 352.320 3.135 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731253 500291636 /nfs/dbraw/zinc/29/16/36/500291636.db2.gz GPUFHYGOINUUSX-JQFCIGGWSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(Br)cc2)CCC1 ZINC000422731253 500291638 /nfs/dbraw/zinc/29/16/38/500291638.db2.gz GPUFHYGOINUUSX-JQFCIGGWSA-N 1 3 367.331 3.213 20 0 FGADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746966 500293805 /nfs/dbraw/zinc/29/38/05/500293805.db2.gz XSPXGTPYSXPREL-YTFSRNRJSA-N 1 3 371.569 3.044 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758807 500294308 /nfs/dbraw/zinc/29/43/08/500294308.db2.gz JDELKGWMJOVBDI-MRXNPFEDSA-N 1 3 366.509 3.052 20 0 FGADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418598789 500295538 /nfs/dbraw/zinc/29/55/38/500295538.db2.gz ZERDTGKWNMYHIY-UHFFFAOYSA-N 1 3 358.530 3.087 20 0 FGADHO c1ccc(CN2CC[C@H](N[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772062 500295734 /nfs/dbraw/zinc/29/57/34/500295734.db2.gz YCJJIYGADBKWGG-WPYKKVEZSA-N 1 3 363.505 3.106 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418602959 500295963 /nfs/dbraw/zinc/29/59/63/500295963.db2.gz WFLFQBOSQSKOOQ-QMMLZNLJSA-N 1 3 372.557 3.198 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786073 500297660 /nfs/dbraw/zinc/29/76/60/500297660.db2.gz OERUJCPKGPDERA-RRQGHBQHSA-N 1 3 356.432 3.469 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786073 500297662 /nfs/dbraw/zinc/29/76/62/500297662.db2.gz OERUJCPKGPDERA-RRQGHBQHSA-N 1 3 356.432 3.469 20 0 FGADHO Cc1cccc(COc2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422841557 500304873 /nfs/dbraw/zinc/30/48/73/500304873.db2.gz DCKGTGBHYISXJO-VOQZNFBZSA-N 1 3 354.494 3.416 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422850812 500305427 /nfs/dbraw/zinc/30/54/27/500305427.db2.gz ODKAYPFCEKSDDG-DOTOQJQBSA-N 1 3 354.498 3.034 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918546 500306750 /nfs/dbraw/zinc/30/67/50/500306750.db2.gz HTWNFEDQQWBXAO-IRXDYDNUSA-N 1 3 357.542 3.063 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877249 500308601 /nfs/dbraw/zinc/30/86/01/500308601.db2.gz HNMJRQJPASIWGG-AEFFLSMTSA-N 1 3 362.514 3.447 20 0 FGADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430934388 500309665 /nfs/dbraw/zinc/30/96/65/500309665.db2.gz MDNLMPUOWXRJEL-ZWKOTPCHSA-N 1 3 365.521 3.340 20 0 FGADHO C[C@@H](NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903521 500313997 /nfs/dbraw/zinc/31/39/97/500313997.db2.gz WHPITGQNKUDPSX-RVKKMQEKSA-N 1 3 366.347 3.396 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917601 500315998 /nfs/dbraw/zinc/31/59/98/500315998.db2.gz GNDBLIOLZXVXIG-ZWNOBZJWSA-N 1 3 351.800 3.240 20 0 FGADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422922441 500316704 /nfs/dbraw/zinc/31/67/04/500316704.db2.gz STBFNJGHXVEPIJ-PCCBWWKXSA-N 1 3 374.525 3.071 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1 ZINC000422922441 500316708 /nfs/dbraw/zinc/31/67/08/500316708.db2.gz STBFNJGHXVEPIJ-PCCBWWKXSA-N 1 3 374.525 3.071 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422930734 500318487 /nfs/dbraw/zinc/31/84/87/500318487.db2.gz VRVBLBOXWTVMBI-QRFRQXIXSA-N 1 3 361.530 3.150 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)CC1 ZINC000422927671 500318614 /nfs/dbraw/zinc/31/86/14/500318614.db2.gz ZNLFWXXMPWSSDK-XXBNENTESA-N 1 3 366.553 3.195 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000426778687 500319566 /nfs/dbraw/zinc/31/95/66/500319566.db2.gz ZWOYJTORDGCGJP-ROUUACIJSA-N 1 3 364.505 3.416 20 0 FGADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948107 500321547 /nfs/dbraw/zinc/32/15/47/500321547.db2.gz ZSBAOIZRACZICI-AGHHOFFYSA-N 1 3 366.509 3.167 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422949027 500322001 /nfs/dbraw/zinc/32/20/01/500322001.db2.gz UCPGXABKMJHISJ-LBPRGKRZSA-N 1 3 364.287 3.341 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000431018857 500324370 /nfs/dbraw/zinc/32/43/70/500324370.db2.gz JRKPMAMXBSMTOU-IFMALSPDSA-N 1 3 365.521 3.100 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000431018857 500324372 /nfs/dbraw/zinc/32/43/72/500324372.db2.gz JRKPMAMXBSMTOU-IFMALSPDSA-N 1 3 365.521 3.100 20 0 FGADHO C[C@@H]1C[NH+](CCC2CCN(CCOc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000426821466 500325117 /nfs/dbraw/zinc/32/51/17/500325117.db2.gz SXSAVFMZVLYXMT-QZTJIDSGSA-N 1 3 364.505 3.416 20 0 FGADHO CCN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431030286 500326074 /nfs/dbraw/zinc/32/60/74/500326074.db2.gz LEYCZDFBWMEUNX-UHFFFAOYSA-N 1 3 351.494 3.268 20 0 FGADHO OCCC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979091 500326889 /nfs/dbraw/zinc/32/68/89/500326889.db2.gz LGJKPDJKDLRMIQ-JAXLGGSGSA-N 1 3 352.478 3.346 20 0 FGADHO CN1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1c1ccccc1 ZINC000423010970 500330398 /nfs/dbraw/zinc/33/03/98/500330398.db2.gz HPXOMMYNVQHJKA-PABCKOPISA-N 1 3 363.505 3.277 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017885 500331520 /nfs/dbraw/zinc/33/15/20/500331520.db2.gz XGHRLUXELGQEAW-VUCTXSBTSA-N 1 3 365.930 3.348 20 0 FGADHO C[C@@H](CCC[NH3+])NCc1cc(Br)ccc1Br ZINC000423051291 500335868 /nfs/dbraw/zinc/33/58/68/500335868.db2.gz MZLCIUWEHUHSRU-VIFPVBQESA-N 1 3 350.098 3.429 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058720 500336694 /nfs/dbraw/zinc/33/66/94/500336694.db2.gz KGPNTHAQXZJJMB-KNXALSJPSA-N 1 3 360.395 3.218 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058720 500336695 /nfs/dbraw/zinc/33/66/95/500336695.db2.gz KGPNTHAQXZJJMB-KNXALSJPSA-N 1 3 360.395 3.218 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(-c3ccco3)cc2F)CC[NH2+]CC1 ZINC000423088796 500340665 /nfs/dbraw/zinc/34/06/65/500340665.db2.gz SWCCUKPLNKSIGQ-OAHLLOKOSA-N 1 3 374.456 3.497 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119482 500344591 /nfs/dbraw/zinc/34/45/91/500344591.db2.gz CNWZLEPBYXPGJJ-DOMZBBRYSA-N 1 3 350.304 3.451 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH2+]CC1 ZINC000423193061 500354334 /nfs/dbraw/zinc/35/43/34/500354334.db2.gz WJQIIKYBMXDZMI-SNVBAGLBSA-N 1 3 363.811 3.418 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CCNCC1 ZINC000423193061 500354336 /nfs/dbraw/zinc/35/43/36/500354336.db2.gz WJQIIKYBMXDZMI-SNVBAGLBSA-N 1 3 363.811 3.418 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000431281415 500358526 /nfs/dbraw/zinc/35/85/26/500358526.db2.gz FNMQVXGKHMAONW-WMQCIHAUSA-N 1 3 374.573 3.414 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000431281415 500358529 /nfs/dbraw/zinc/35/85/29/500358529.db2.gz FNMQVXGKHMAONW-WMQCIHAUSA-N 1 3 374.573 3.414 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)c1 ZINC000423356914 500366944 /nfs/dbraw/zinc/36/69/44/500366944.db2.gz RIXZALDXSSWSTQ-FQEVSTJZSA-N 1 3 353.510 3.481 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)c1 ZINC000423356914 500366946 /nfs/dbraw/zinc/36/69/46/500366946.db2.gz RIXZALDXSSWSTQ-FQEVSTJZSA-N 1 3 353.510 3.481 20 0 FGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCc2nccn2C)cc1 ZINC000423365279 500367330 /nfs/dbraw/zinc/36/73/30/500367330.db2.gz AZZVVMMHGJMZMA-INIZCTEOSA-N 1 3 362.477 3.453 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423384326 500369085 /nfs/dbraw/zinc/36/90/85/500369085.db2.gz KVRYWHSJHSPYPY-OAHLLOKOSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423384326 500369086 /nfs/dbraw/zinc/36/90/86/500369086.db2.gz KVRYWHSJHSPYPY-OAHLLOKOSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423406318 500371129 /nfs/dbraw/zinc/37/11/29/500371129.db2.gz UPRHEQZPHRLJFK-ZENOOKHLSA-N 1 3 372.294 3.200 20 0 FGADHO FC(F)(F)[C@H](CN[C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404279 500371157 /nfs/dbraw/zinc/37/11/57/500371157.db2.gz ZSGXYWUFXUOOIP-HOTGVXAUSA-N 1 3 361.839 3.217 20 0 FGADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332805 500382087 /nfs/dbraw/zinc/38/20/87/500382087.db2.gz VNFWUOKYMWXHQE-NZQKXSOJSA-N 1 3 369.553 3.281 20 0 FGADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332806 500382325 /nfs/dbraw/zinc/38/23/25/500382325.db2.gz VNFWUOKYMWXHQE-OFNKIYASSA-N 1 3 369.553 3.281 20 0 FGADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529599 500383203 /nfs/dbraw/zinc/38/32/03/500383203.db2.gz PZHGEWOEIHAKFZ-DUEJHXMNSA-N 1 3 355.526 3.455 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000423547974 500384219 /nfs/dbraw/zinc/38/42/19/500384219.db2.gz QRHZRZWKYCOPTA-XDQVBPFNSA-N 1 3 353.304 3.496 20 0 FGADHO c1cc(COc2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000576584255 506192550 /nfs/dbraw/zinc/19/25/50/506192550.db2.gz KNVNAPWFDGYMPQ-OAQYLSRUSA-N 1 3 351.494 3.482 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423753277 500399501 /nfs/dbraw/zinc/39/95/01/500399501.db2.gz XDGFYTVMEJXUOT-IFMALSPDSA-N 1 3 357.542 3.061 20 0 FGADHO C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000423792646 500401899 /nfs/dbraw/zinc/40/18/99/500401899.db2.gz ICHNAGKKWQPYNV-RXVVDRJESA-N 1 3 357.542 3.437 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423906262 500417963 /nfs/dbraw/zinc/41/79/63/500417963.db2.gz PWZDCBWWMQDEQC-DFQSSKMNSA-N 1 3 355.526 3.188 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423906262 500417966 /nfs/dbraw/zinc/41/79/66/500417966.db2.gz PWZDCBWWMQDEQC-DFQSSKMNSA-N 1 3 355.526 3.188 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431796899 500425876 /nfs/dbraw/zinc/42/58/76/500425876.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431796899 500425878 /nfs/dbraw/zinc/42/58/78/500425878.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@](C[NH3+])(NCCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297656 500436131 /nfs/dbraw/zinc/43/61/31/500436131.db2.gz ZAFLUTSPAUNGGQ-PMACEKPBSA-N 1 3 357.523 3.061 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000420301024 500436924 /nfs/dbraw/zinc/43/69/24/500436924.db2.gz IHTVRAXKZCJKIM-HXUWFJFHSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000420301024 500436926 /nfs/dbraw/zinc/43/69/26/500436926.db2.gz IHTVRAXKZCJKIM-HXUWFJFHSA-N 1 3 354.494 3.419 20 0 FGADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352849 500446250 /nfs/dbraw/zinc/44/62/50/500446250.db2.gz AYEWYYHHGLNLMX-QUCCMNQESA-N 1 3 371.550 3.322 20 0 FGADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352849 500446251 /nfs/dbraw/zinc/44/62/51/500446251.db2.gz AYEWYYHHGLNLMX-QUCCMNQESA-N 1 3 371.550 3.322 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373712 500449996 /nfs/dbraw/zinc/44/99/96/500449996.db2.gz MXYKRJNDFRPDFU-RBUKOAKNSA-N 1 3 364.493 3.252 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373712 500449998 /nfs/dbraw/zinc/44/99/98/500449998.db2.gz MXYKRJNDFRPDFU-RBUKOAKNSA-N 1 3 364.493 3.252 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379918 500452047 /nfs/dbraw/zinc/45/20/47/500452047.db2.gz BOKVQWIGHCLFSO-HLAWJBBLSA-N 1 3 355.526 3.034 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388035 500453417 /nfs/dbraw/zinc/45/34/17/500453417.db2.gz KRBQPLCCAGGOFW-UNMCSNQZSA-N 1 3 354.494 3.437 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390446 500454305 /nfs/dbraw/zinc/45/43/05/500454305.db2.gz NKEQZZSWKBVXQE-QAPCUYQASA-N 1 3 372.431 3.303 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283802 500481117 /nfs/dbraw/zinc/48/11/17/500481117.db2.gz CEKQVBOKVGCPSL-LJQANCHMSA-N 1 3 369.553 3.079 20 0 FGADHO CC(C)O[C@@H](CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428301310 500492996 /nfs/dbraw/zinc/49/29/96/500492996.db2.gz OWMTZGYBMNAPDC-KNQAVFIVSA-N 1 3 359.558 3.253 20 0 FGADHO CC(C)O[C@H](CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428301311 500493094 /nfs/dbraw/zinc/49/30/94/500493094.db2.gz OWMTZGYBMNAPDC-SIKLNZKXSA-N 1 3 359.558 3.253 20 0 FGADHO C[C@@H]1CC2(CN1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386490 500495047 /nfs/dbraw/zinc/49/50/47/500495047.db2.gz XFEIOSHMWGOVLV-CYBMUJFWSA-N 1 3 365.315 3.348 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCc3ccccc3OC)CC2)CC1 ZINC000420979335 500546053 /nfs/dbraw/zinc/54/60/53/500546053.db2.gz KMBLJMPHVSCNPN-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCc3ccccc3OC)CC2)CC1 ZINC000420979335 500546055 /nfs/dbraw/zinc/54/60/55/500546055.db2.gz KMBLJMPHVSCNPN-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCc1cccc(OCCN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421020554 500556321 /nfs/dbraw/zinc/55/63/21/500556321.db2.gz ZJPKVBFAFQYHFB-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCc1cccc(OCCN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421020554 500556325 /nfs/dbraw/zinc/55/63/25/500556325.db2.gz ZJPKVBFAFQYHFB-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566282 /nfs/dbraw/zinc/56/62/82/500566282.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566283 /nfs/dbraw/zinc/56/62/83/500566283.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 1 3 372.557 3.213 20 0 FGADHO COC1(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858935 500567280 /nfs/dbraw/zinc/56/72/80/500567280.db2.gz GRQJGSWAUROEMV-OALUTQOASA-N 1 3 360.542 3.450 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000573494542 506204282 /nfs/dbraw/zinc/20/42/82/506204282.db2.gz PCYHMWSJPHVQIQ-WIYYLYMNSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000573494542 506204284 /nfs/dbraw/zinc/20/42/84/506204284.db2.gz PCYHMWSJPHVQIQ-WIYYLYMNSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126197 500631730 /nfs/dbraw/zinc/63/17/30/500631730.db2.gz NKFBHMGPRSXPQP-HXUWFJFHSA-N 1 3 369.553 3.376 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442880293 500638802 /nfs/dbraw/zinc/63/88/02/500638802.db2.gz XHGHHEDGKSNHFT-SFHVURJKSA-N 1 3 365.949 3.478 20 0 FGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443058422 500670499 /nfs/dbraw/zinc/67/04/99/500670499.db2.gz AAGVMXLENZXTAZ-ZDUSSCGKSA-N 1 3 358.313 3.013 20 0 FGADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000437646707 500675226 /nfs/dbraw/zinc/67/52/26/500675226.db2.gz PGWHLTLFEIVPFW-WWFGTJDESA-N 1 3 373.585 3.314 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000448211736 500733489 /nfs/dbraw/zinc/73/34/89/500733489.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000448211736 500733492 /nfs/dbraw/zinc/73/34/92/500733492.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000448469126 500762432 /nfs/dbraw/zinc/76/24/32/500762432.db2.gz XRAVWHXWRBSFRM-LJQANCHMSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000448469126 500762434 /nfs/dbraw/zinc/76/24/34/500762434.db2.gz XRAVWHXWRBSFRM-LJQANCHMSA-N 1 3 364.578 3.014 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000439228612 500872258 /nfs/dbraw/zinc/87/22/58/500872258.db2.gz HPWDJQLFGLAKKB-OKYOBFRVSA-N 1 3 364.578 3.011 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cnc(-c2ccccc2F)s1 ZINC000449149198 500935319 /nfs/dbraw/zinc/93/53/19/500935319.db2.gz MNGNPDWWGZGMNT-HNNXBMFYSA-N 1 3 363.502 3.276 20 0 FGADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cnc(-c2ccccc2F)s1 ZINC000449149198 500935321 /nfs/dbraw/zinc/93/53/21/500935321.db2.gz MNGNPDWWGZGMNT-HNNXBMFYSA-N 1 3 363.502 3.276 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379800 500963766 /nfs/dbraw/zinc/96/37/66/500963766.db2.gz NNTYZXGIDJXNMW-DZFGPLHGSA-N 1 3 365.477 3.117 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382641 500964308 /nfs/dbraw/zinc/96/43/08/500964308.db2.gz DXYYXDPQCRAEGL-BVYCBKJFSA-N 1 3 373.504 3.494 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383895 500964522 /nfs/dbraw/zinc/96/45/22/500964522.db2.gz JUWFIWIUEJMKBC-BVYCBKJFSA-N 1 3 373.504 3.494 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(C)c2F)CC1 ZINC000449320387 500977067 /nfs/dbraw/zinc/97/70/67/500977067.db2.gz NTURFESCCJDBIX-UHFFFAOYSA-N 1 3 363.521 3.194 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345439 500982939 /nfs/dbraw/zinc/98/29/39/500982939.db2.gz VNGQRBSRRGYBNJ-PGRDOPGGSA-N 1 3 365.521 3.288 20 0 FGADHO OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1)C1CC1 ZINC000449501463 501019355 /nfs/dbraw/zinc/01/93/55/501019355.db2.gz FNACVFZFPKGJGO-PFDCGNQRSA-N 1 3 354.538 3.284 20 0 FGADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450560368 501154626 /nfs/dbraw/zinc/15/46/26/501154626.db2.gz GFRSZYJCZJZUBF-QGZVFWFLSA-N 1 3 367.484 3.184 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000446756139 501161772 /nfs/dbraw/zinc/16/17/72/501161772.db2.gz DERHTBOQUAJYRE-NRFANRHFSA-N 1 3 371.529 3.130 20 0 FGADHO Cc1ccc([C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCC2)cc1 ZINC000446822953 501168811 /nfs/dbraw/zinc/16/88/11/501168811.db2.gz ZVDPASCREWXZOE-QHCPKHFHSA-N 1 3 373.585 3.206 20 0 FGADHO Cc1ccc(Br)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000450626992 501169302 /nfs/dbraw/zinc/16/93/02/501169302.db2.gz HZNKDAXXEITHMP-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000446840435 501171451 /nfs/dbraw/zinc/17/14/51/501171451.db2.gz YYRHHMWQJJAKCS-RXVVDRJESA-N 1 3 371.529 3.128 20 0 FGADHO CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000446938161 501183322 /nfs/dbraw/zinc/18/33/22/501183322.db2.gz VMFAZGCDTKVOPW-RTWAWAEBSA-N 1 3 371.500 3.156 20 0 FGADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000446973225 501188929 /nfs/dbraw/zinc/18/89/29/501188929.db2.gz BZXUSMQHHSOETH-BRWVUGGUSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000446973225 501188931 /nfs/dbraw/zinc/18/89/31/501188931.db2.gz BZXUSMQHHSOETH-BRWVUGGUSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000446973225 501188934 /nfs/dbraw/zinc/18/89/34/501188934.db2.gz BZXUSMQHHSOETH-BRWVUGGUSA-N 1 3 374.422 3.404 20 0 FGADHO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)c(CN[C@H]2CCOC2(C)C)c1 ZINC000451243118 501254239 /nfs/dbraw/zinc/25/42/39/501254239.db2.gz OXDCBXPQUHXLIC-MSOLQXFVSA-N 1 3 350.478 3.140 20 0 FGADHO CCn1ccnc1[C@H](C)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000453069012 501262171 /nfs/dbraw/zinc/26/21/71/501262171.db2.gz KIOGWHQIOREFOT-FQEVSTJZSA-N 1 3 369.557 3.464 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453103875 501269581 /nfs/dbraw/zinc/26/95/81/501269581.db2.gz XONFSOFAEIRVSV-CIAFKFPVSA-N 1 3 360.542 3.053 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453103875 501269585 /nfs/dbraw/zinc/26/95/85/501269585.db2.gz XONFSOFAEIRVSV-CIAFKFPVSA-N 1 3 360.542 3.053 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106647 501270335 /nfs/dbraw/zinc/27/03/35/501270335.db2.gz ZAQXGFCXXYBKMB-IEBWSBKVSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106647 501270339 /nfs/dbraw/zinc/27/03/39/501270339.db2.gz ZAQXGFCXXYBKMB-IEBWSBKVSA-N 1 3 363.933 3.358 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000453129072 501275463 /nfs/dbraw/zinc/27/54/63/501275463.db2.gz DIIALLUAXBYGNB-IPMKNSEASA-N 1 3 354.498 3.207 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000453129072 501275464 /nfs/dbraw/zinc/27/54/64/501275464.db2.gz DIIALLUAXBYGNB-IPMKNSEASA-N 1 3 354.498 3.207 20 0 FGADHO Cc1cc(Br)c(CNCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000453596611 501357563 /nfs/dbraw/zinc/35/75/63/501357563.db2.gz XFNXXOGNBYVVDE-CYBMUJFWSA-N 1 3 361.349 3.146 20 0 FGADHO Cc1cc(Br)c(CNCCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000453596611 501357565 /nfs/dbraw/zinc/35/75/65/501357565.db2.gz XFNXXOGNBYVVDE-CYBMUJFWSA-N 1 3 361.349 3.146 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000453407027 501325495 /nfs/dbraw/zinc/32/54/95/501325495.db2.gz RRAJHRNSROWPJL-KSEOMHKRSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407027 501325496 /nfs/dbraw/zinc/32/54/96/501325496.db2.gz RRAJHRNSROWPJL-KSEOMHKRSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407027 501325498 /nfs/dbraw/zinc/32/54/98/501325498.db2.gz RRAJHRNSROWPJL-KSEOMHKRSA-N 1 3 350.510 3.218 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329529 /nfs/dbraw/zinc/32/95/29/501329529.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329531 /nfs/dbraw/zinc/32/95/31/501329531.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329534 /nfs/dbraw/zinc/32/95/34/501329534.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329537 /nfs/dbraw/zinc/32/95/37/501329537.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@H+](C)C2CC2)cc1OC ZINC000453593418 501356326 /nfs/dbraw/zinc/35/63/26/501356326.db2.gz ABCJLMVABHVXIM-UHFFFAOYSA-N 1 3 371.319 3.430 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@@H+](C)C2CC2)cc1OC ZINC000453593418 501356327 /nfs/dbraw/zinc/35/63/27/501356327.db2.gz ABCJLMVABHVXIM-UHFFFAOYSA-N 1 3 371.319 3.430 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scnc1C(C)C ZINC000455845236 501398962 /nfs/dbraw/zinc/39/89/62/501398962.db2.gz LSRJBFDOTOVXSB-OAHLLOKOSA-N 1 3 367.563 3.146 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scnc1C(C)C ZINC000455845236 501398964 /nfs/dbraw/zinc/39/89/64/501398964.db2.gz LSRJBFDOTOVXSB-OAHLLOKOSA-N 1 3 367.563 3.146 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367861 501428495 /nfs/dbraw/zinc/42/84/95/501428495.db2.gz IIVWOEZIWIPPCM-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367861 501428497 /nfs/dbraw/zinc/42/84/97/501428497.db2.gz IIVWOEZIWIPPCM-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000458759380 501524649 /nfs/dbraw/zinc/52/46/49/501524649.db2.gz GGPGKKLGOFKNSQ-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N(C)C ZINC000458783430 501530672 /nfs/dbraw/zinc/53/06/72/501530672.db2.gz VDQUKLKJGNTXQL-CBQOVEMMSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N(C)C ZINC000458783430 501530673 /nfs/dbraw/zinc/53/06/73/501530673.db2.gz VDQUKLKJGNTXQL-CBQOVEMMSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)C ZINC000458788368 501531934 /nfs/dbraw/zinc/53/19/34/501531934.db2.gz XYQBGUSALKYHCA-UTKZUKDTSA-N 1 3 372.557 3.302 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459121505 501597883 /nfs/dbraw/zinc/59/78/83/501597883.db2.gz YQSPOHJQYBWDQE-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000459260880 501620968 /nfs/dbraw/zinc/62/09/68/501620968.db2.gz KSVVNTBRXNUHFE-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000459260880 501620969 /nfs/dbraw/zinc/62/09/69/501620969.db2.gz KSVVNTBRXNUHFE-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459327144 501631699 /nfs/dbraw/zinc/63/16/99/501631699.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459327144 501631700 /nfs/dbraw/zinc/63/17/00/501631700.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459327141 501631779 /nfs/dbraw/zinc/63/17/79/501631779.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459327141 501631781 /nfs/dbraw/zinc/63/17/81/501631781.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO C[NH+](C)CCC(=O)Nc1ccc(NC2CCN(c3ccncc3)CC2)cc1 ZINC000459359919 501638829 /nfs/dbraw/zinc/63/88/29/501638829.db2.gz UQCJJSWXDUGFRK-UHFFFAOYSA-N 1 3 367.497 3.053 20 0 FGADHO c1ccc2c(c1)[nH+]ccc2N1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000459484693 501661561 /nfs/dbraw/zinc/66/15/61/501661561.db2.gz QIJPTIOBLRENJQ-NRFANRHFSA-N 1 3 355.482 3.290 20 0 FGADHO CNC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459537655 501672435 /nfs/dbraw/zinc/67/24/35/501672435.db2.gz SBOCPNNDFPXPJR-OAQYLSRUSA-N 1 3 357.542 3.279 20 0 FGADHO CNC(=O)CC[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459537655 501672436 /nfs/dbraw/zinc/67/24/36/501672436.db2.gz SBOCPNNDFPXPJR-OAQYLSRUSA-N 1 3 357.542 3.279 20 0 FGADHO FC(F)(F)c1ccnc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459588903 501682396 /nfs/dbraw/zinc/68/23/96/501682396.db2.gz LMRHBKNGSTTYBR-UHFFFAOYSA-N 1 3 350.388 3.297 20 0 FGADHO Cn1c(CNCC[C@@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733430 501705837 /nfs/dbraw/zinc/70/58/37/501705837.db2.gz NMWMCHRYBZNWKF-ZDUSSCGKSA-N 1 3 354.420 3.414 20 0 FGADHO Cn1c(CNCC[C@@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733430 501705839 /nfs/dbraw/zinc/70/58/39/501705839.db2.gz NMWMCHRYBZNWKF-ZDUSSCGKSA-N 1 3 354.420 3.414 20 0 FGADHO COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000459764049 501710772 /nfs/dbraw/zinc/71/07/72/501710772.db2.gz WNIQZMUJYBRLEN-COPCDDAFSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764049 501710773 /nfs/dbraw/zinc/71/07/73/501710773.db2.gz WNIQZMUJYBRLEN-COPCDDAFSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764049 501710777 /nfs/dbraw/zinc/71/07/77/501710777.db2.gz WNIQZMUJYBRLEN-COPCDDAFSA-N 1 3 368.521 3.271 20 0 FGADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000457543830 501719128 /nfs/dbraw/zinc/71/91/28/501719128.db2.gz UWVHTYJSCKYKDD-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000457543830 501719130 /nfs/dbraw/zinc/71/91/30/501719130.db2.gz UWVHTYJSCKYKDD-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[NH+](C)CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000460285992 501780570 /nfs/dbraw/zinc/78/05/70/501780570.db2.gz FAIARRQDMMXZCN-HXUWFJFHSA-N 1 3 357.542 3.452 20 0 FGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373202 501780715 /nfs/dbraw/zinc/78/07/15/501780715.db2.gz KDMSIPYXOUPOIX-SWLSCSKDSA-N 1 3 358.267 3.029 20 0 FGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373202 501780719 /nfs/dbraw/zinc/78/07/19/501780719.db2.gz KDMSIPYXOUPOIX-SWLSCSKDSA-N 1 3 358.267 3.029 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H]1C ZINC000463736429 501806937 /nfs/dbraw/zinc/80/69/37/501806937.db2.gz OQUBGGOTEIZTNO-OPYAIIAOSA-N 1 3 357.542 3.427 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000477884926 501819671 /nfs/dbraw/zinc/81/96/71/501819671.db2.gz VEOUVWFMNUDFOQ-XLIONFOSSA-N 1 3 360.546 3.097 20 0 FGADHO CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000474467462 501845894 /nfs/dbraw/zinc/84/58/94/501845894.db2.gz FJKCFMLIBRYPSH-UHFFFAOYSA-N 1 3 362.514 3.229 20 0 FGADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000485665764 501893334 /nfs/dbraw/zinc/89/33/34/501893334.db2.gz DBADXLXUOXRTHR-UHFFFAOYSA-N 1 3 367.921 3.483 20 0 FGADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000467866042 501894318 /nfs/dbraw/zinc/89/43/18/501894318.db2.gz SGMGYZBRFKJTLZ-GOSISDBHSA-N 1 3 351.922 3.323 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCN(C)CC1 ZINC000481921507 501918536 /nfs/dbraw/zinc/91/85/36/501918536.db2.gz HEKZZTJTOURKPQ-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO CN(C)CCN(C(=O)NCCCCC[NH+]1CCCCC1)C1CCCC1 ZINC000468012440 501929462 /nfs/dbraw/zinc/92/94/62/501929462.db2.gz VAIRTLFPPBPPQW-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)c2)CC1 ZINC000474832351 501966522 /nfs/dbraw/zinc/96/65/22/501966522.db2.gz PTMXIMDATRBXGG-OAQYLSRUSA-N 1 3 372.557 3.278 20 0 FGADHO Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000482117577 501979772 /nfs/dbraw/zinc/97/97/72/501979772.db2.gz CEYHJZQBOAVVAY-SFHVURJKSA-N 1 3 371.554 3.026 20 0 FGADHO Cc1cc(C)cc([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149549 502082137 /nfs/dbraw/zinc/08/21/37/502082137.db2.gz PJCXEXXNYHATKX-NQIIRXRSSA-N 1 3 353.510 3.373 20 0 FGADHO CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(CC)CC ZINC000461451931 502119210 /nfs/dbraw/zinc/11/92/10/502119210.db2.gz GOVAZFMJJJWADX-JYRKZWEQSA-N 1 3 359.558 3.380 20 0 FGADHO CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(CC)CC ZINC000461451931 502119214 /nfs/dbraw/zinc/11/92/14/502119214.db2.gz GOVAZFMJJJWADX-JYRKZWEQSA-N 1 3 359.558 3.380 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H](CN)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207210 502193245 /nfs/dbraw/zinc/19/32/45/502193245.db2.gz IQYPZPDEMRRHKF-TYCQWZJGSA-N 1 3 369.484 3.037 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H](CN)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207210 502193251 /nfs/dbraw/zinc/19/32/51/502193251.db2.gz IQYPZPDEMRRHKF-TYCQWZJGSA-N 1 3 369.484 3.037 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828259 502197447 /nfs/dbraw/zinc/19/74/47/502197447.db2.gz FCFMZGSBMSIKHC-HKUYNNGSSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828259 502197453 /nfs/dbraw/zinc/19/74/53/502197453.db2.gz FCFMZGSBMSIKHC-HKUYNNGSSA-N 1 3 363.933 3.358 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000479223096 502198000 /nfs/dbraw/zinc/19/80/00/502198000.db2.gz LFGSRSNJFZPADW-HRAATJIYSA-N 1 3 369.484 3.210 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](CN)c3ccc(F)cc3)cc21 ZINC000479229901 502199463 /nfs/dbraw/zinc/19/94/63/502199463.db2.gz RUTCMYYGJYRWKN-IBGZPJMESA-N 1 3 368.456 3.023 20 0 FGADHO CC1CCN(C[C@@H](O)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482886805 502207139 /nfs/dbraw/zinc/20/71/39/502207139.db2.gz HMPYHJIHBCQREQ-YJBOKZPZSA-N 1 3 372.431 3.255 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000479270109 502212241 /nfs/dbraw/zinc/21/22/41/502212241.db2.gz DNHIUCSLLVQOHH-CGBFIWBNSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000479270109 502212244 /nfs/dbraw/zinc/21/22/44/502212244.db2.gz DNHIUCSLLVQOHH-CGBFIWBNSA-N 1 3 360.546 3.240 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221493 502219316 /nfs/dbraw/zinc/21/93/16/502219316.db2.gz PWRDVOYMIUGVBC-CTNGQTDRSA-N 1 3 374.573 3.129 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221493 502219319 /nfs/dbraw/zinc/21/93/19/502219319.db2.gz PWRDVOYMIUGVBC-CTNGQTDRSA-N 1 3 374.573 3.129 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472110106 502234715 /nfs/dbraw/zinc/23/47/15/502234715.db2.gz HMEBYFWBMLPWCT-FPOVZHCZSA-N 1 3 372.557 3.339 20 0 FGADHO CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000461977289 502260673 /nfs/dbraw/zinc/26/06/73/502260673.db2.gz MXBLHVVQNARPRW-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCN1C ZINC000479537709 502290138 /nfs/dbraw/zinc/29/01/38/502290138.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCN1C ZINC000479537709 502290139 /nfs/dbraw/zinc/29/01/39/502290139.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 1 3 364.578 3.155 20 0 FGADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000462066399 502293168 /nfs/dbraw/zinc/29/31/68/502293168.db2.gz GSLZRKNEDTXWEJ-UHFFFAOYSA-N 1 3 368.319 3.160 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000472281086 502297087 /nfs/dbraw/zinc/29/70/87/502297087.db2.gz XBRHYGQOINFNQT-SFHVURJKSA-N 1 3 374.481 3.152 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465604116 502323086 /nfs/dbraw/zinc/32/30/86/502323086.db2.gz ULESXYCBWJUPGX-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620079 502328312 /nfs/dbraw/zinc/32/83/12/502328312.db2.gz UNBZDUHOTRFQHG-LEWJYISDSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620079 502328318 /nfs/dbraw/zinc/32/83/18/502328318.db2.gz UNBZDUHOTRFQHG-LEWJYISDSA-N 1 3 374.573 3.441 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CCc2cc(C)c(O)c(C)c2)CC1 ZINC000469246796 502349232 /nfs/dbraw/zinc/34/92/32/502349232.db2.gz WFZQLLVYYZXNRC-UHFFFAOYSA-N 1 3 367.537 3.483 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851626 502397180 /nfs/dbraw/zinc/39/71/80/502397180.db2.gz OOIVXOUJCIEFCJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851626 502397184 /nfs/dbraw/zinc/39/71/84/502397184.db2.gz OOIVXOUJCIEFCJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851626 502397188 /nfs/dbraw/zinc/39/71/88/502397188.db2.gz OOIVXOUJCIEFCJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928080 502431125 /nfs/dbraw/zinc/43/11/25/502431125.db2.gz QWLVAEJMWKDDDY-OAQYLSRUSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042108 502463636 /nfs/dbraw/zinc/46/36/36/502463636.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042108 502463641 /nfs/dbraw/zinc/46/36/41/502463641.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342459 502542252 /nfs/dbraw/zinc/54/22/52/502542252.db2.gz DNPBELQURVFIOX-PWRODBHTSA-N 1 3 363.590 3.122 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462785225 502571435 /nfs/dbraw/zinc/57/14/35/502571435.db2.gz KPZOGEUIMKWSFT-DNVJHFABSA-N 1 3 371.569 3.119 20 0 FGADHO CCOc1cc2[nH+]ccc(N3CCN(CCOC)[C@@H](C)C3)c2cc1OCC ZINC000462808925 502584621 /nfs/dbraw/zinc/58/46/21/502584621.db2.gz QIXPLWLEUKNJCI-INIZCTEOSA-N 1 3 373.497 3.189 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211526 502659173 /nfs/dbraw/zinc/65/91/73/502659173.db2.gz ANKJHTLUMFPYNI-ICSRJNTNSA-N 1 3 366.594 3.259 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000488319518 502683663 /nfs/dbraw/zinc/68/36/63/502683663.db2.gz CBCHYNJIKGBGLE-NRFANRHFSA-N 1 3 360.542 3.159 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027759 502733382 /nfs/dbraw/zinc/73/33/82/502733382.db2.gz VKFLDEICIWXRGJ-HIFRSBDPSA-N 1 3 362.461 3.448 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000473886740 502738544 /nfs/dbraw/zinc/73/85/44/502738544.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000473886740 502738546 /nfs/dbraw/zinc/73/85/46/502738546.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1CCCCCC1 ZINC000467098548 502786808 /nfs/dbraw/zinc/78/68/08/502786808.db2.gz BTCUNCDXOGUALW-KRWDZBQOSA-N 1 3 356.514 3.406 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787858 /nfs/dbraw/zinc/78/78/58/502787858.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787862 /nfs/dbraw/zinc/78/78/62/502787862.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000504880641 502817705 /nfs/dbraw/zinc/81/77/05/502817705.db2.gz CYAYFOPWHXOJRM-FQEVSTJZSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513040048 502836388 /nfs/dbraw/zinc/83/63/88/502836388.db2.gz DVBIMAGKALKTBM-RXVVDRJESA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513040048 502836391 /nfs/dbraw/zinc/83/63/91/502836391.db2.gz DVBIMAGKALKTBM-RXVVDRJESA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072132 502844767 /nfs/dbraw/zinc/84/47/67/502844767.db2.gz YVBPCHFONNCDNR-UGKGYDQZSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072132 502844771 /nfs/dbraw/zinc/84/47/71/502844771.db2.gz YVBPCHFONNCDNR-UGKGYDQZSA-N 1 3 365.521 3.336 20 0 FGADHO C[NH+]1CCC(CCNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000489042613 502866985 /nfs/dbraw/zinc/86/69/85/502866985.db2.gz MOCOVAQBFKMCQU-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO COC1CCN(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513203904 502877281 /nfs/dbraw/zinc/87/72/81/502877281.db2.gz MHFBHVKIUUICLS-UHFFFAOYSA-N 1 3 351.579 3.263 20 0 FGADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006843 502910487 /nfs/dbraw/zinc/91/04/87/502910487.db2.gz ITAKBEJFKPKUDI-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006843 502910491 /nfs/dbraw/zinc/91/04/91/502910491.db2.gz ITAKBEJFKPKUDI-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032505 502917016 /nfs/dbraw/zinc/91/70/16/502917016.db2.gz PQKKDUCYZBFHPK-QZTJIDSGSA-N 1 3 358.530 3.019 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000497113469 502921911 /nfs/dbraw/zinc/92/19/11/502921911.db2.gz HWOUUXMWYKBQEJ-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081591 502931479 /nfs/dbraw/zinc/93/14/79/502931479.db2.gz XVGDXRVCHUYYBO-CEXWTWQISA-N 1 3 372.557 3.408 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cnn(CC(F)F)c2)CC1)CC1CC1 ZINC000509558475 502934441 /nfs/dbraw/zinc/93/44/41/502934441.db2.gz ISASKRZLRLRRMP-UHFFFAOYSA-N 1 3 354.489 3.482 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cnn(CC(F)F)c2)CC1)CC1CC1 ZINC000509558475 502934444 /nfs/dbraw/zinc/93/44/44/502934444.db2.gz ISASKRZLRLRRMP-UHFFFAOYSA-N 1 3 354.489 3.482 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509684427 502967082 /nfs/dbraw/zinc/96/70/82/502967082.db2.gz KYGIKFBMIUOOHT-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO CCn1c(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc2ccccc21 ZINC000505754041 502979193 /nfs/dbraw/zinc/97/91/93/502979193.db2.gz CFLDBAQAXZXJJM-LJQANCHMSA-N 1 3 370.541 3.149 20 0 FGADHO CCn1c(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc2ccccc21 ZINC000505754041 502979195 /nfs/dbraw/zinc/97/91/95/502979195.db2.gz CFLDBAQAXZXJJM-LJQANCHMSA-N 1 3 370.541 3.149 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996202 /nfs/dbraw/zinc/99/62/02/502996202.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996206 /nfs/dbraw/zinc/99/62/06/502996206.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCC(N2CCC([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)CC1 ZINC000501379425 502996910 /nfs/dbraw/zinc/99/69/10/502996910.db2.gz XAZDLYKNLMVXLS-WIYYLYMNSA-N 1 3 356.558 3.256 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760203 503017959 /nfs/dbraw/zinc/01/79/59/503017959.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760203 503017961 /nfs/dbraw/zinc/01/79/61/503017961.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760203 503017963 /nfs/dbraw/zinc/01/79/63/503017963.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 1 3 357.542 3.295 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000501573998 503041520 /nfs/dbraw/zinc/04/15/20/503041520.db2.gz AHBHEKHSVNKOKD-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO NCc1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000582653873 506348694 /nfs/dbraw/zinc/34/86/94/506348694.db2.gz PZMITOMCFVJPAT-UHFFFAOYSA-N 1 3 370.419 3.160 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510097547 503049111 /nfs/dbraw/zinc/04/91/11/503049111.db2.gz GUONVNQJSBZZQM-QFIPXVFZSA-N 1 3 357.542 3.031 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000501785344 503079218 /nfs/dbraw/zinc/07/92/18/503079218.db2.gz KUFPVBUPHDYNAR-OAQYLSRUSA-N 1 3 362.558 3.405 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501848573 503093984 /nfs/dbraw/zinc/09/39/84/503093984.db2.gz IUVYBGJKUSLSEE-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942314 503112388 /nfs/dbraw/zinc/11/23/88/503112388.db2.gz LGSDSSUTSANQNF-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000490199840 503128631 /nfs/dbraw/zinc/12/86/31/503128631.db2.gz VTPHSPGCPMNXSF-YLJYHZDGSA-N 1 3 360.546 3.099 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000502281574 503174100 /nfs/dbraw/zinc/17/41/00/503174100.db2.gz YGDIYQWSXBZTNW-JOCHJYFZSA-N 1 3 371.569 3.263 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000514725024 503177769 /nfs/dbraw/zinc/17/77/69/503177769.db2.gz LKMOHDPMQWCSBA-GGAORHGYSA-N 1 3 363.505 3.031 20 0 FGADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000514735431 503180137 /nfs/dbraw/zinc/18/01/37/503180137.db2.gz DCQAKKLCKLQVJA-OAQYLSRUSA-N 1 3 364.493 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506828174 503180153 /nfs/dbraw/zinc/18/01/53/503180153.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506828174 503180156 /nfs/dbraw/zinc/18/01/56/503180156.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 1 3 364.578 3.157 20 0 FGADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000514735431 503180141 /nfs/dbraw/zinc/18/01/41/503180141.db2.gz DCQAKKLCKLQVJA-OAQYLSRUSA-N 1 3 364.493 3.071 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000498505890 503198403 /nfs/dbraw/zinc/19/84/03/503198403.db2.gz NUMPDBCMHVHFQF-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000498505890 503198404 /nfs/dbraw/zinc/19/84/04/503198404.db2.gz NUMPDBCMHVHFQF-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)NCCN3CCC[C@@H](C)C3)CC2)CC1 ZINC000502632179 503241450 /nfs/dbraw/zinc/24/14/50/503241450.db2.gz TVBGNLOMNQSIFW-XEVCZEQESA-N 1 3 364.578 3.061 20 0 FGADHO CC[NH+](CC)CCOCCN[C@H]1CCc2ccc(Br)cc21 ZINC000511046582 503241638 /nfs/dbraw/zinc/24/16/38/503241638.db2.gz KXAAUDGLYFOGRN-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000515100876 503271831 /nfs/dbraw/zinc/27/18/31/503271831.db2.gz PTYJIYTYQZCVBI-WBVHZDCISA-N 1 3 354.564 3.159 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000515100876 503271833 /nfs/dbraw/zinc/27/18/33/503271833.db2.gz PTYJIYTYQZCVBI-WBVHZDCISA-N 1 3 354.564 3.159 20 0 FGADHO C[C@@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507462975 503303264 /nfs/dbraw/zinc/30/32/64/503303264.db2.gz QVUMATYTWDCQBK-TZIWHRDSSA-N 1 3 360.542 3.462 20 0 FGADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000515294653 503309255 /nfs/dbraw/zinc/30/92/55/503309255.db2.gz RCXFJKPMVIGSTG-OAQYLSRUSA-N 1 3 370.541 3.093 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507518568 503313270 /nfs/dbraw/zinc/31/32/70/503313270.db2.gz DKQGNIRUWYDNNR-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507518568 503313274 /nfs/dbraw/zinc/31/32/74/503313274.db2.gz DKQGNIRUWYDNNR-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507518568 503313279 /nfs/dbraw/zinc/31/32/79/503313279.db2.gz DKQGNIRUWYDNNR-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038352 503331498 /nfs/dbraw/zinc/33/14/98/503331498.db2.gz KMACFHGLWBKHNO-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO CC1CC[NH+]([C@H](CNC(=O)N2CCN(C)CC[C@@H]2C)c2ccccc2)CC1 ZINC000503055759 503337442 /nfs/dbraw/zinc/33/74/42/503337442.db2.gz PIPAKZCBXKNJJH-PZJWPPBQSA-N 1 3 372.557 3.195 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499149721 503344799 /nfs/dbraw/zinc/34/47/99/503344799.db2.gz HGMWOTMJDPMKMB-DKUWSORSSA-N 1 3 363.505 3.331 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C ZINC000503091112 503345505 /nfs/dbraw/zinc/34/55/05/503345505.db2.gz FGESTYAHWQBIHW-ICSRJNTNSA-N 1 3 374.573 3.407 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492510955 503372052 /nfs/dbraw/zinc/37/20/52/503372052.db2.gz AHVKGALECDPWCJ-UTKZUKDTSA-N 1 3 352.478 3.473 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000503650990 503451726 /nfs/dbraw/zinc/45/17/26/503451726.db2.gz SSWDEXHONCZEHS-FQEVSTJZSA-N 1 3 372.557 3.420 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503650990 503451728 /nfs/dbraw/zinc/45/17/28/503451728.db2.gz SSWDEXHONCZEHS-FQEVSTJZSA-N 1 3 372.557 3.420 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000512167325 503474695 /nfs/dbraw/zinc/47/46/95/503474695.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 1 3 363.505 3.285 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000512167325 503474697 /nfs/dbraw/zinc/47/46/97/503474697.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 1 3 363.505 3.285 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079381 503484246 /nfs/dbraw/zinc/48/42/46/503484246.db2.gz NPBPQKZLJZVOMN-UZKOGDIHSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079381 503484249 /nfs/dbraw/zinc/48/42/49/503484249.db2.gz NPBPQKZLJZVOMN-UZKOGDIHSA-N 1 3 369.553 3.420 20 0 FGADHO C[N@H+]1CC=C(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494415886 503538582 /nfs/dbraw/zinc/53/85/82/503538582.db2.gz ZFMZUFFUQYUWIN-UHFFFAOYSA-N 1 3 364.415 3.302 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494415886 503538586 /nfs/dbraw/zinc/53/85/86/503538586.db2.gz ZFMZUFFUQYUWIN-UHFFFAOYSA-N 1 3 364.415 3.302 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000500113458 503556769 /nfs/dbraw/zinc/55/67/69/503556769.db2.gz VCFVUVWWBDYDBC-GHOZHQTGSA-N 1 3 372.557 3.069 20 0 FGADHO C[NH+]1CCC(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494575259 503567436 /nfs/dbraw/zinc/56/74/36/503567436.db2.gz QUVXTZLXUAEXRX-UHFFFAOYSA-N 1 3 366.431 3.382 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000500182978 503573060 /nfs/dbraw/zinc/57/30/60/503573060.db2.gz MIIOKXNGMYIKIJ-QKNQBKEWSA-N 1 3 374.573 3.345 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000500182978 503573063 /nfs/dbraw/zinc/57/30/63/503573063.db2.gz MIIOKXNGMYIKIJ-QKNQBKEWSA-N 1 3 374.573 3.345 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508867944 503582952 /nfs/dbraw/zinc/58/29/52/503582952.db2.gz UNRFSJZYFNXBCV-TYPHKJRUSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654365 503584896 /nfs/dbraw/zinc/58/48/96/503584896.db2.gz NLDXEWQHELDGDP-WOJBJXKFSA-N 1 3 357.542 3.108 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)C ZINC000508894675 503592345 /nfs/dbraw/zinc/59/23/45/503592345.db2.gz GDJMRAMEFDCTHL-ZVDOUQERSA-N 1 3 372.557 3.256 20 0 FGADHO COCCC[NH+]1CCC(N[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056428 503654753 /nfs/dbraw/zinc/65/47/53/503654753.db2.gz CTROWQGOTXODQY-UTKZUKDTSA-N 1 3 364.505 3.384 20 0 FGADHO CC(C)(C)[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969620 503680671 /nfs/dbraw/zinc/68/06/71/503680671.db2.gz LUWGCYMHSXDGEQ-HXUWFJFHSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719770 503695138 /nfs/dbraw/zinc/69/51/38/503695138.db2.gz ZZFTWYIGODCOCU-LJQANCHMSA-N 1 3 369.553 3.411 20 0 FGADHO CC(C)(C)[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248313 503698096 /nfs/dbraw/zinc/69/80/96/503698096.db2.gz WYGAIRFWWFLZNF-HXUWFJFHSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@H](CCNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+]1CCCCC1 ZINC000543293797 503714320 /nfs/dbraw/zinc/71/43/20/503714320.db2.gz VHVUMAGRTBIOAQ-QGZVFWFLSA-N 1 3 362.518 3.013 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299869 503716097 /nfs/dbraw/zinc/71/60/97/503716097.db2.gz FBGQNBITVBAZAK-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855927 503741823 /nfs/dbraw/zinc/74/18/23/503741823.db2.gz CHLIEBUOTZTZQB-ZACQAIPSSA-N 1 3 373.541 3.456 20 0 FGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000543417892 503762042 /nfs/dbraw/zinc/76/20/42/503762042.db2.gz HHFBIZGFYBHTNI-ONTIZHBOSA-N 1 3 359.558 3.303 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024183 503797714 /nfs/dbraw/zinc/79/77/14/503797714.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024183 503797721 /nfs/dbraw/zinc/79/77/21/503797721.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO CN1CCC2(CC1)C[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1O2 ZINC000537167891 503825901 /nfs/dbraw/zinc/82/59/01/503825901.db2.gz LAQMULMBQGPYAK-HXUWFJFHSA-N 1 3 357.542 3.440 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762210 503883153 /nfs/dbraw/zinc/88/31/53/503883153.db2.gz ISNZKCFPDVAAFX-BAMDZGJYSA-N 1 3 368.521 3.321 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@@H](O)C(C)C)CC2)CC1 ZINC000537383244 503897137 /nfs/dbraw/zinc/89/71/37/503897137.db2.gz KZGHIQUWXIGTMR-NRFANRHFSA-N 1 3 359.558 3.105 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000518457907 503992110 /nfs/dbraw/zinc/99/21/10/503992110.db2.gz WCNHAUQHGJYCSG-GUDVDZBRSA-N 1 3 373.541 3.039 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516657 503994974 /nfs/dbraw/zinc/99/49/74/503994974.db2.gz GXGORJJQGOZYRO-NSHGMRRFSA-N 1 3 350.547 3.299 20 0 FGADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000541155296 504024816 /nfs/dbraw/zinc/02/48/16/504024816.db2.gz BGWNVNKYAXURGG-KURKYZTESA-N 1 3 358.530 3.363 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000528006551 504037159 /nfs/dbraw/zinc/03/71/59/504037159.db2.gz TVFBGZXETNUDNU-LQBOVUBWSA-N 1 3 363.505 3.314 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541231570 504052129 /nfs/dbraw/zinc/05/21/29/504052129.db2.gz RHJMSKYTHYCEBS-MRXNPFEDSA-N 1 3 358.448 3.319 20 0 FGADHO COC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000530701165 504056875 /nfs/dbraw/zinc/05/68/75/504056875.db2.gz FUBVZAXFHUHRBC-HDICACEKSA-N 1 3 374.525 3.185 20 0 FGADHO CC[C@H](C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812503 504093964 /nfs/dbraw/zinc/09/39/64/504093964.db2.gz RXBWATHCTLJQKZ-RTWAWAEBSA-N 1 3 359.558 3.306 20 0 FGADHO C[N@H+](CCC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101790 /nfs/dbraw/zinc/10/17/90/504101790.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 1 3 357.542 3.376 20 0 FGADHO C[N@@H+](CCC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101794 /nfs/dbraw/zinc/10/17/94/504101794.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 1 3 357.542 3.376 20 0 FGADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098189 504133010 /nfs/dbraw/zinc/13/30/10/504133010.db2.gz CODQWDGUCRWJJF-AEFFLSMTSA-N 1 3 351.922 3.214 20 0 FGADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098189 504133016 /nfs/dbraw/zinc/13/30/16/504133016.db2.gz CODQWDGUCRWJJF-AEFFLSMTSA-N 1 3 351.922 3.214 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099438 504139964 /nfs/dbraw/zinc/13/99/64/504139964.db2.gz SVXNHBRCZLQDIZ-KRWDZBQOSA-N 1 3 353.457 3.112 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099438 504139967 /nfs/dbraw/zinc/13/99/67/504139967.db2.gz SVXNHBRCZLQDIZ-KRWDZBQOSA-N 1 3 353.457 3.112 20 0 FGADHO CCSc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000534495638 504156860 /nfs/dbraw/zinc/15/68/60/504156860.db2.gz ISVQZUDEYCZMAX-INIZCTEOSA-N 1 3 363.571 3.392 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000519294377 504184599 /nfs/dbraw/zinc/18/45/99/504184599.db2.gz UIOGCCROVJZGIT-LJQANCHMSA-N 1 3 366.594 3.260 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000519294377 504184603 /nfs/dbraw/zinc/18/46/03/504184603.db2.gz UIOGCCROVJZGIT-LJQANCHMSA-N 1 3 366.594 3.260 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000534721168 504224122 /nfs/dbraw/zinc/22/41/22/504224122.db2.gz KRGBQOZHLIZBFS-NHCUHLMSSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508305 504267701 /nfs/dbraw/zinc/26/77/01/504267701.db2.gz HLTVAYQPPSCDDQ-QFBILLFUSA-N 1 3 356.466 3.118 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000538762544 504360559 /nfs/dbraw/zinc/36/05/59/504360559.db2.gz WNPQGZWUFNBYAS-UHFFFAOYSA-N 1 3 362.543 3.461 20 0 FGADHO C[NH+](C)C1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCCCCC1 ZINC000519924623 504385117 /nfs/dbraw/zinc/38/51/17/504385117.db2.gz IDHFOTCFXOJONB-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCCN(C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192375 504431263 /nfs/dbraw/zinc/43/12/63/504431263.db2.gz OYCSAFZQFJMLJG-YLJYHZDGSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507107 504470975 /nfs/dbraw/zinc/47/09/75/504470975.db2.gz STOVQALGIJYSII-KRWDZBQOSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507107 504470977 /nfs/dbraw/zinc/47/09/77/504470977.db2.gz STOVQALGIJYSII-KRWDZBQOSA-N 1 3 357.502 3.048 20 0 FGADHO C[C@H]1C[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977619 504493650 /nfs/dbraw/zinc/49/36/50/504493650.db2.gz FSHBUOPPMXWDEA-JQWIXIFHSA-N 1 3 350.816 3.238 20 0 FGADHO C[C@H]1C[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977619 504493652 /nfs/dbraw/zinc/49/36/52/504493652.db2.gz FSHBUOPPMXWDEA-JQWIXIFHSA-N 1 3 350.816 3.238 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000539308381 504525351 /nfs/dbraw/zinc/52/53/51/504525351.db2.gz HKJMLCUWKHNEPE-GOSISDBHSA-N 1 3 362.537 3.104 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217806 504576197 /nfs/dbraw/zinc/57/61/97/504576197.db2.gz JMTGIVSLMODJCX-OLZOCXBDSA-N 1 3 361.408 3.232 20 0 FGADHO CC(C)C[C@H](N[C@H]1CCc2cc(Cl)ccc21)C(=O)NCC[NH+](C)C ZINC000539645226 504638297 /nfs/dbraw/zinc/63/82/97/504638297.db2.gz LYFCZWQDPBCXKA-ROUUACIJSA-N 1 3 351.922 3.009 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCC1 ZINC000532454331 504656014 /nfs/dbraw/zinc/65/60/14/504656014.db2.gz MGIATOIESOFOEW-CQSZACIVSA-N 1 3 357.420 3.498 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000532454331 504656021 /nfs/dbraw/zinc/65/60/21/504656021.db2.gz MGIATOIESOFOEW-CQSZACIVSA-N 1 3 357.420 3.498 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C)CC1 ZINC000532523741 504682483 /nfs/dbraw/zinc/68/24/83/504682483.db2.gz HRBXISMCMBQRBA-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137517 504698445 /nfs/dbraw/zinc/69/84/45/504698445.db2.gz UOXGJSFIGGKZRQ-RBUKOAKNSA-N 1 3 354.922 3.460 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CC[C@H](C)C1 ZINC000543066527 504710350 /nfs/dbraw/zinc/71/03/50/504710350.db2.gz HOEAJYQQXABCBZ-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CC[C@H](C)C1 ZINC000543066527 504710353 /nfs/dbraw/zinc/71/03/53/504710353.db2.gz HOEAJYQQXABCBZ-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000543090087 504720759 /nfs/dbraw/zinc/72/07/59/504720759.db2.gz PHAHXOLQMKHDIA-HNNXBMFYSA-N 1 3 358.448 3.319 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000521602951 504763037 /nfs/dbraw/zinc/76/30/37/504763037.db2.gz KVESLDJYBUWUMA-MRXNPFEDSA-N 1 3 368.953 3.144 20 0 FGADHO C[C@@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842178 504766105 /nfs/dbraw/zinc/76/61/05/504766105.db2.gz HUFLRRWIPBOYFI-QGZVFWFLSA-N 1 3 362.562 3.173 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000565061286 504784415 /nfs/dbraw/zinc/78/44/15/504784415.db2.gz AMDXMOMHRBBXAC-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000559276614 504817327 /nfs/dbraw/zinc/81/73/27/504817327.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000559276614 504817330 /nfs/dbraw/zinc/81/73/30/504817330.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 1 3 357.542 3.374 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H](CO)C1CCCCC1)C1CCN(C)CC1 ZINC000559333619 504837637 /nfs/dbraw/zinc/83/76/37/504837637.db2.gz OMNYNTZHWXGZBH-OAQYLSRUSA-N 1 3 373.585 3.495 20 0 FGADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1cccnc1 ZINC000565358663 504865253 /nfs/dbraw/zinc/86/52/53/504865253.db2.gz HDNNTVSVSCUKGZ-SEJPIABJSA-N 1 3 364.493 3.195 20 0 FGADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccnc1 ZINC000565358663 504865255 /nfs/dbraw/zinc/86/52/55/504865255.db2.gz HDNNTVSVSCUKGZ-SEJPIABJSA-N 1 3 364.493 3.195 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428897 504884646 /nfs/dbraw/zinc/88/46/46/504884646.db2.gz XYCRUHLTFGBZBS-SJORKVTESA-N 1 3 357.542 3.192 20 0 FGADHO CCN(CCc1ccccc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553350083 504890206 /nfs/dbraw/zinc/89/02/06/504890206.db2.gz CBQBIEYLOUDNFF-UHFFFAOYSA-N 1 3 371.569 3.274 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774290 504926631 /nfs/dbraw/zinc/92/66/31/504926631.db2.gz POTNCQFKXGAWJT-CHPDAQJUSA-N 1 3 358.592 3.080 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(CN(C)C)cc2F)CC1 ZINC000556828387 504987144 /nfs/dbraw/zinc/98/71/44/504987144.db2.gz IXRQGQFBLHCIDA-UHFFFAOYSA-N 1 3 370.472 3.446 20 0 FGADHO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270262 505008287 /nfs/dbraw/zinc/00/82/87/505008287.db2.gz LFWVDAUXKQKXQB-QFIPXVFZSA-N 1 3 365.521 3.408 20 0 FGADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987323 505010954 /nfs/dbraw/zinc/01/09/54/505010954.db2.gz GTMBCVTXSZYRSR-AVRDEDQJSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987323 505010955 /nfs/dbraw/zinc/01/09/55/505010955.db2.gz GTMBCVTXSZYRSR-AVRDEDQJSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987323 505010957 /nfs/dbraw/zinc/01/09/57/505010957.db2.gz GTMBCVTXSZYRSR-AVRDEDQJSA-N 1 3 366.505 3.167 20 0 FGADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089326 505076874 /nfs/dbraw/zinc/07/68/74/505076874.db2.gz YUWYCRGURONJLI-BUVFEPMLSA-N 1 3 368.477 3.308 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000566131802 505092688 /nfs/dbraw/zinc/09/26/88/505092688.db2.gz PPZIIDRTAMFNFW-DOXZYTNZSA-N 1 3 352.906 3.019 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1Br ZINC000560528447 505115338 /nfs/dbraw/zinc/11/53/38/505115338.db2.gz FYYWIFOSYQVSSW-IMJJTQAJSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1Br ZINC000560528447 505115343 /nfs/dbraw/zinc/11/53/43/505115343.db2.gz FYYWIFOSYQVSSW-IMJJTQAJSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1Br ZINC000560528447 505115348 /nfs/dbraw/zinc/11/53/48/505115348.db2.gz FYYWIFOSYQVSSW-IMJJTQAJSA-N 1 3 353.304 3.420 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(Br)c(Br)c1 ZINC000566230191 505119152 /nfs/dbraw/zinc/11/91/52/505119152.db2.gz PSETYADXVLSGDC-RKDXNWHRSA-N 1 3 350.098 3.427 20 0 FGADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563498974 505157570 /nfs/dbraw/zinc/15/75/70/505157570.db2.gz HKLPNXJZWPFYFM-RDJZCZTQSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563498974 505157573 /nfs/dbraw/zinc/15/75/73/505157573.db2.gz HKLPNXJZWPFYFM-RDJZCZTQSA-N 1 3 356.514 3.107 20 0 FGADHO CC[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566407185 505166815 /nfs/dbraw/zinc/16/68/15/505166815.db2.gz NPOUBZKSDLTUAW-OALUTQOASA-N 1 3 350.551 3.003 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781596 505184899 /nfs/dbraw/zinc/18/48/99/505184899.db2.gz FLUZQBYCAOKYSA-HDICACEKSA-N 1 3 358.530 3.019 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000554664512 505235663 /nfs/dbraw/zinc/23/56/63/505235663.db2.gz VUPQIQGVKYVPSP-UHFFFAOYSA-N 1 3 367.537 3.436 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000563874864 505263940 /nfs/dbraw/zinc/26/39/40/505263940.db2.gz QFGWPPVFZDCDLV-SESVDKBCSA-N 1 3 372.557 3.147 20 0 FGADHO Cc1ccccc1[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000561160471 505267841 /nfs/dbraw/zinc/26/78/41/505267841.db2.gz GOVLGEUGDKXNEE-OAQYLSRUSA-N 1 3 357.542 3.415 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211556 505282903 /nfs/dbraw/zinc/28/29/03/505282903.db2.gz GLSQOBDDSGNDSF-WOJBJXKFSA-N 1 3 372.557 3.229 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882722 505289089 /nfs/dbraw/zinc/28/90/89/505289089.db2.gz NPUZIRLCERTMCI-LJQANCHMSA-N 1 3 363.594 3.103 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882722 505289093 /nfs/dbraw/zinc/28/90/93/505289093.db2.gz NPUZIRLCERTMCI-LJQANCHMSA-N 1 3 363.594 3.103 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116804 505311384 /nfs/dbraw/zinc/31/13/84/505311384.db2.gz LFWAUPPLEWCTNK-KNBMTAEXSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116804 505311387 /nfs/dbraw/zinc/31/13/87/505311387.db2.gz LFWAUPPLEWCTNK-KNBMTAEXSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000558116804 505311390 /nfs/dbraw/zinc/31/13/90/505311390.db2.gz LFWAUPPLEWCTNK-KNBMTAEXSA-N 1 3 350.934 3.486 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)N(C)C)cc1 ZINC000567019503 505340844 /nfs/dbraw/zinc/34/08/44/505340844.db2.gz JCNIAJZUXKIWRC-RTBURBONSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC000567019503 505340847 /nfs/dbraw/zinc/34/08/47/505340847.db2.gz JCNIAJZUXKIWRC-RTBURBONSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)N(C)C)cc1 ZINC000567019503 505340852 /nfs/dbraw/zinc/34/08/52/505340852.db2.gz JCNIAJZUXKIWRC-RTBURBONSA-N 1 3 363.571 3.390 20 0 FGADHO COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000555125137 505356846 /nfs/dbraw/zinc/35/68/46/505356846.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[N@H+]3C)CCN2C2CC2)c1 ZINC000555125137 505356851 /nfs/dbraw/zinc/35/68/51/505356851.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@@H]([NH2+]CC[C@@H]3CCCCN3C)CCN2C2CC2)c1 ZINC000555125137 505356855 /nfs/dbraw/zinc/35/68/55/505356855.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555133779 505359084 /nfs/dbraw/zinc/35/90/84/505359084.db2.gz WRJBKCHFCCTJRF-QAPCUYQASA-N 1 3 366.937 3.116 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326574 505360860 /nfs/dbraw/zinc/36/08/60/505360860.db2.gz RQUTYDUBUGMRNW-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc2c1CCNC2 ZINC000567144741 505376558 /nfs/dbraw/zinc/37/65/58/505376558.db2.gz CIGKHKASQMRXNQ-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3occc3c2)CC1 ZINC000567311615 505424074 /nfs/dbraw/zinc/42/40/74/505424074.db2.gz LNUZKWDVKYBZIB-UHFFFAOYSA-N 1 3 371.525 3.349 20 0 FGADHO C=Cc1ccc(CCNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000564737628 505506961 /nfs/dbraw/zinc/50/69/61/505506961.db2.gz YOFSLXRWBSOFAL-UHFFFAOYSA-N 1 3 369.553 3.185 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680717 505534323 /nfs/dbraw/zinc/53/43/23/505534323.db2.gz CXQJUDOQZIUBOW-QUCCMNQESA-N 1 3 356.510 3.290 20 0 FGADHO C/C=C\c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567690110 505537649 /nfs/dbraw/zinc/53/76/49/505537649.db2.gz YLMMCCHXXXNWQY-VHTHAAAWSA-N 1 3 374.525 3.073 20 0 FGADHO C/C=C\c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690110 505537655 /nfs/dbraw/zinc/53/76/55/505537655.db2.gz YLMMCCHXXXNWQY-VHTHAAAWSA-N 1 3 374.525 3.073 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c2)CC1 ZINC000564992845 505566111 /nfs/dbraw/zinc/56/61/11/505566111.db2.gz KQIOTCSNCCDKCB-WMQCIHAUSA-N 1 3 370.541 3.076 20 0 FGADHO C[C@@H]1CCN(CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632866 /nfs/dbraw/zinc/63/28/66/506632866.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@@H]1CCN(CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632871 /nfs/dbraw/zinc/63/28/71/506632871.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 1 3 373.541 3.011 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000608685397 506665110 /nfs/dbraw/zinc/66/51/10/506665110.db2.gz QDMJKRSEWIFMEK-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000594103883 506940996 /nfs/dbraw/zinc/94/09/96/506940996.db2.gz QHEHDHLGNCTNHF-IYWMVGAKSA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000594103883 506941007 /nfs/dbraw/zinc/94/10/07/506941007.db2.gz QHEHDHLGNCTNHF-IYWMVGAKSA-N 1 3 366.594 3.307 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN[C@H](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000583752952 506953730 /nfs/dbraw/zinc/95/37/30/506953730.db2.gz IWIGCGFGOVPCCV-DLBZAZTESA-N 1 3 352.482 3.437 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000594133709 506965507 /nfs/dbraw/zinc/96/55/07/506965507.db2.gz TXMMZFCVPKFORZ-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000594133709 506965511 /nfs/dbraw/zinc/96/55/11/506965511.db2.gz TXMMZFCVPKFORZ-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000583930225 507054911 /nfs/dbraw/zinc/05/49/11/507054911.db2.gz UUNHLPCPUFYYFB-UNMCSNQZSA-N 1 3 358.526 3.048 20 0 FGADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154642 507135427 /nfs/dbraw/zinc/13/54/27/507135427.db2.gz QPWIYKBCSWMTGB-CEWLAPEOSA-N 1 3 357.542 3.449 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861707 507149703 /nfs/dbraw/zinc/14/97/03/507149703.db2.gz OIJXJNNXFNPMRE-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000600888458 507162974 /nfs/dbraw/zinc/16/29/74/507162974.db2.gz WNXZDNKWPYYPHI-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000600888458 507162979 /nfs/dbraw/zinc/16/29/79/507162979.db2.gz WNXZDNKWPYYPHI-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600980881 507214127 /nfs/dbraw/zinc/21/41/27/507214127.db2.gz MPDDPVWBAZHXJP-KNQAVFIVSA-N 1 3 371.569 3.319 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000591554641 507289850 /nfs/dbraw/zinc/28/98/50/507289850.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000591554641 507289858 /nfs/dbraw/zinc/28/98/58/507289858.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558649 507292614 /nfs/dbraw/zinc/29/26/14/507292614.db2.gz XVPFFNSZPMWCRP-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243440 507308271 /nfs/dbraw/zinc/30/82/71/507308271.db2.gz MCKCQQMBSZEVLV-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243440 507308277 /nfs/dbraw/zinc/30/82/77/507308277.db2.gz MCKCQQMBSZEVLV-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000594925355 507318249 /nfs/dbraw/zinc/31/82/49/507318249.db2.gz RXVJUXYRJIKBPX-JCGIZDLHSA-N 1 3 364.917 3.339 20 0 FGADHO CC[NH+]1CCC(N[C@H]2CCc3ccc(I)cc32)CC1 ZINC000595004661 507351359 /nfs/dbraw/zinc/35/13/59/507351359.db2.gz RAODCHMDRZDLKV-INIZCTEOSA-N 1 3 370.278 3.352 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000606662119 507473467 /nfs/dbraw/zinc/47/34/67/507473467.db2.gz NRENYMFZUIIMRA-RXVVDRJESA-N 1 3 372.557 3.161 20 0 FGADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)C1 ZINC000595407434 507482268 /nfs/dbraw/zinc/48/22/68/507482268.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 1 3 373.541 3.011 20 0 FGADHO CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)C1 ZINC000595407434 507482276 /nfs/dbraw/zinc/48/22/76/507482276.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 1 3 373.541 3.011 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000607246884 507669947 /nfs/dbraw/zinc/66/99/47/507669947.db2.gz SWIQGJJTHZLHNT-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000607383912 507715926 /nfs/dbraw/zinc/71/59/26/507715926.db2.gz GSTXIBGOOTWKLY-JOCHJYFZSA-N 1 3 365.521 3.315 20 0 FGADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@H+]2CCCC[C@H]2C)no1 ZINC000515346981 517311450 /nfs/dbraw/zinc/31/14/50/517311450.db2.gz KHJVDPOBUPSKPZ-MRXNPFEDSA-N 1 3 370.497 3.476 20 0 FGADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)no1 ZINC000515346981 517311462 /nfs/dbraw/zinc/31/14/62/517311462.db2.gz KHJVDPOBUPSKPZ-MRXNPFEDSA-N 1 3 370.497 3.476 20 0 FGADHO Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826374775 607750775 /nfs/dbraw/zinc/75/07/75/607750775.db2.gz MBMVTUGZYXECAH-UHFFFAOYSA-N 1 3 372.492 3.094 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585491 609133059 /nfs/dbraw/zinc/13/30/59/609133059.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585491 609133060 /nfs/dbraw/zinc/13/30/60/609133060.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585491 609133061 /nfs/dbraw/zinc/13/30/61/609133061.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585491 609133062 /nfs/dbraw/zinc/13/30/62/609133062.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 1 3 360.481 3.311 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000078559804 700282105 /nfs/dbraw/zinc/28/21/05/700282105.db2.gz SZCQJORQYHKHPC-KRWDZBQOSA-N 1 3 364.559 3.060 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390891 712889376 /nfs/dbraw/zinc/88/93/76/712889376.db2.gz VGLOXKFBUGXBMZ-KSZLIROESA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390891 712889378 /nfs/dbraw/zinc/88/93/78/712889378.db2.gz VGLOXKFBUGXBMZ-KSZLIROESA-N 1 3 351.535 3.286 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000237604990 713594348 /nfs/dbraw/zinc/59/43/48/713594348.db2.gz XCSBSNKOSFVVDX-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO C[NH+](C)Cc1ccccc1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000365892601 713859134 /nfs/dbraw/zinc/85/91/34/713859134.db2.gz VHDKCWCKYPRWJW-UHFFFAOYSA-N 1 3 357.523 3.204 20 0 FGADHO Cc1cc(Br)cn2c(C[N@@H+](C)[C@@H]3CCN(C)C[C@H]3C)cnc12 ZINC000577902760 714470433 /nfs/dbraw/zinc/47/04/33/714470433.db2.gz RANYKRAMZVRMHJ-CZUORRHYSA-N 1 3 365.319 3.177 20 0 FGADHO Cc1cc(Br)cn2c(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)cnc12 ZINC000577902760 714470434 /nfs/dbraw/zinc/47/04/34/714470434.db2.gz RANYKRAMZVRMHJ-CZUORRHYSA-N 1 3 365.319 3.177 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384102 715323135 /nfs/dbraw/zinc/32/31/35/715323135.db2.gz OUWHEOIWXURNBC-MOPGFXCFSA-N 1 3 365.949 3.176 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438997 715336132 /nfs/dbraw/zinc/33/61/32/715336132.db2.gz RUMXXHRNLOHCLO-AWEZNQCLSA-N 1 3 367.921 3.448 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438997 715336140 /nfs/dbraw/zinc/33/61/40/715336140.db2.gz RUMXXHRNLOHCLO-AWEZNQCLSA-N 1 3 367.921 3.448 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1SCCc2ccccc21 ZINC000644584918 718128995 /nfs/dbraw/zinc/12/89/95/718128995.db2.gz VABQAROBCNLSQH-TZIWHRDSSA-N 1 3 356.535 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1SCCc2ccccc21 ZINC000644584918 718128997 /nfs/dbraw/zinc/12/89/97/718128997.db2.gz VABQAROBCNLSQH-TZIWHRDSSA-N 1 3 356.535 3.100 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976828 718391290 /nfs/dbraw/zinc/39/12/90/718391290.db2.gz URYGHSUBBTVDCM-JQHSSLGASA-N 1 3 363.933 3.229 20 0 FGADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980514 718391960 /nfs/dbraw/zinc/39/19/60/718391960.db2.gz QZNVLVSVNACZHJ-MELADBBJSA-N 1 3 370.324 3.102 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccccc3Br)C2)C1 ZINC000650705719 718716929 /nfs/dbraw/zinc/71/69/29/718716929.db2.gz STXRKIDVAWZLNX-ZMSDIMECSA-N 1 3 353.304 3.167 20 0 FGADHO Cc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708145 718717484 /nfs/dbraw/zinc/71/74/84/718717484.db2.gz UIKRAZRBOYEEEF-LZLYRXPVSA-N 1 3 367.331 3.476 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708121 718717550 /nfs/dbraw/zinc/71/75/50/718717550.db2.gz TYGVBLVOWZSIQB-XYJFISCASA-N 1 3 367.331 3.476 20 0 FGADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349262 718935268 /nfs/dbraw/zinc/93/52/68/718935268.db2.gz IHUFIZDGMMDCRB-ZVZYQTTQSA-N 1 3 361.511 3.430 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629614 719105980 /nfs/dbraw/zinc/10/59/80/719105980.db2.gz SWAPGAQODLAZLK-FPOVZHCZSA-N 1 3 359.477 3.368 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629614 719105983 /nfs/dbraw/zinc/10/59/83/719105983.db2.gz SWAPGAQODLAZLK-FPOVZHCZSA-N 1 3 359.477 3.368 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657839324 719719484 /nfs/dbraw/zinc/71/94/84/719719484.db2.gz RUEHYVXWECWYSN-UHFFFAOYSA-N 1 3 351.485 3.002 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658308242 719783690 /nfs/dbraw/zinc/78/36/90/719783690.db2.gz CVVXDHWYALHUAN-LMNJBCLMSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767958 720316219 /nfs/dbraw/zinc/31/62/19/720316219.db2.gz SFYKZHGWYVILDU-IQGAEYHTSA-N 1 3 366.933 3.030 20 0 FGADHO C[C@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767958 720316226 /nfs/dbraw/zinc/31/62/26/720316226.db2.gz SFYKZHGWYVILDU-IQGAEYHTSA-N 1 3 366.933 3.030 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294674 720411426 /nfs/dbraw/zinc/41/14/26/720411426.db2.gz DRPKMKUVKDMYJL-DOTOQJQBSA-N 1 3 361.555 3.447 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450621 720515956 /nfs/dbraw/zinc/51/59/56/720515956.db2.gz KGEHIUPHVINNFJ-CVEARBPZSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450621 720515958 /nfs/dbraw/zinc/51/59/58/720515958.db2.gz KGEHIUPHVINNFJ-CVEARBPZSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995502 721010964 /nfs/dbraw/zinc/01/09/64/721010964.db2.gz PIHRXCLRPWKALL-RDJZCZTQSA-N 1 3 363.933 3.341 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NC2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000668644697 721325414 /nfs/dbraw/zinc/32/54/14/721325414.db2.gz JACRFUPRWHTHDD-JCYILVPMSA-N 1 3 364.559 3.090 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2cccs2)CC1 ZINC000668644729 721325647 /nfs/dbraw/zinc/32/56/47/721325647.db2.gz POWSOVOPNBILIQ-INIZCTEOSA-N 1 3 364.559 3.044 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000675733730 721771246 /nfs/dbraw/zinc/77/12/46/721771246.db2.gz KQVJPSDPPNMXCF-INIZCTEOSA-N 1 3 366.347 3.492 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022095 721802642 /nfs/dbraw/zinc/80/26/42/721802642.db2.gz HVJMVHOHKZHALM-DFQSSKMNSA-N 1 3 365.525 3.280 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022095 721802643 /nfs/dbraw/zinc/80/26/43/721802643.db2.gz HVJMVHOHKZHALM-DFQSSKMNSA-N 1 3 365.525 3.280 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678139267 721941118 /nfs/dbraw/zinc/94/11/18/721941118.db2.gz PVXOKXNIXPACOT-UHFFFAOYSA-N 1 3 367.559 3.002 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678139267 721941121 /nfs/dbraw/zinc/94/11/21/721941121.db2.gz PVXOKXNIXPACOT-UHFFFAOYSA-N 1 3 367.559 3.002 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)cc1CN1CCCCC1 ZINC000775416889 723989775 /nfs/dbraw/zinc/98/97/75/723989775.db2.gz ZLOMAQOHAJTBIG-XOWTYJCDSA-N 1 3 366.571 3.489 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621010 724011938 /nfs/dbraw/zinc/01/19/38/724011938.db2.gz GXHMXTGEHRMGDC-MHORFTMASA-N 1 3 353.551 3.390 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621010 724011942 /nfs/dbraw/zinc/01/19/42/724011942.db2.gz GXHMXTGEHRMGDC-MHORFTMASA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000799360594 724018490 /nfs/dbraw/zinc/01/84/90/724018490.db2.gz OXDIFKPGCOWFFI-SFHVURJKSA-N 1 3 353.551 3.489 20 0 FGADHO C[C@@H](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000784671731 724871289 /nfs/dbraw/zinc/87/12/89/724871289.db2.gz UXQQHXYSMBFELX-KRWDZBQOSA-N 1 3 353.551 3.488 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184133 /nfs/dbraw/zinc/18/41/33/727184133.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184135 /nfs/dbraw/zinc/18/41/35/727184135.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 1 3 351.535 3.051 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929606 727288047 /nfs/dbraw/zinc/28/80/47/727288047.db2.gz IRYOYQPKXHZISM-XDNAFOTISA-N 1 3 367.331 3.383 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929068 727288117 /nfs/dbraw/zinc/28/81/17/727288117.db2.gz IRYOYQPKXHZISM-BSDSXHPESA-N 1 3 367.331 3.383 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818969401 727332429 /nfs/dbraw/zinc/33/24/29/727332429.db2.gz PBEMZJOYSQPUTB-INIZCTEOSA-N 1 3 373.310 3.474 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818985097 727334470 /nfs/dbraw/zinc/33/44/70/727334470.db2.gz NYONSVRLYQWANO-SFHVURJKSA-N 1 3 366.864 3.243 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000823489259 729284955 /nfs/dbraw/zinc/28/49/55/729284955.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 1 3 353.551 3.199 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000823489259 729284956 /nfs/dbraw/zinc/28/49/56/729284956.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 1 3 353.551 3.199 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666187 729297379 /nfs/dbraw/zinc/29/73/79/729297379.db2.gz HJZIVWUXYJKCIJ-XSLAGTTESA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666187 729297381 /nfs/dbraw/zinc/29/73/81/729297381.db2.gz HJZIVWUXYJKCIJ-XSLAGTTESA-N 1 3 351.535 3.381 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961929 729314237 /nfs/dbraw/zinc/31/42/37/729314237.db2.gz ZNTUCJZKLQSCST-BDXSIMOUSA-N 1 3 353.551 3.484 20 0 FGADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529042 731176006 /nfs/dbraw/zinc/17/60/06/731176006.db2.gz QRIRFJDVXUVUAO-QZTJIDSGSA-N 1 3 373.324 3.260 20 0 FGADHO [NH2+]=C(NCCCc1cccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000849057401 731225040 /nfs/dbraw/zinc/22/50/40/731225040.db2.gz UJHSMPHAJOIGAA-UHFFFAOYSA-N 1 3 356.539 3.459 20 0 FGADHO C[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1nccs1 ZINC000849081741 731226909 /nfs/dbraw/zinc/22/69/09/731226909.db2.gz BKHMKSJSQPHYFM-OAHLLOKOSA-N 1 3 357.527 3.025 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110649 731230420 /nfs/dbraw/zinc/23/04/20/731230420.db2.gz MPWVALHLBVHFDW-ZDUSSCGKSA-N 1 3 361.490 3.047 20 0 FGADHO C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)CC(F)(F)F ZINC000849117694 731231268 /nfs/dbraw/zinc/23/12/68/731231268.db2.gz QUNOASZXTQKSEF-CQSZACIVSA-N 1 3 356.436 3.353 20 0 FGADHO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CCN(C(C)(C)C)CC1)C2 ZINC000850566025 731374001 /nfs/dbraw/zinc/37/40/01/731374001.db2.gz SHIXTGKLPYJVQX-UHFFFAOYSA-N 1 3 351.535 3.238 20 0 FGADHO CC(C)(C)OC(=O)N1CC2CC1(CNC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000850566025 731374003 /nfs/dbraw/zinc/37/40/03/731374003.db2.gz SHIXTGKLPYJVQX-UHFFFAOYSA-N 1 3 351.535 3.238 20 0 FGADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641078 733243627 /nfs/dbraw/zinc/24/36/27/733243627.db2.gz SMCOCTUVRQTWBG-ZIAGYGMSSA-N 1 3 367.456 3.154 20 0 FGADHO C[N@H+]1CCCC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641078 733243634 /nfs/dbraw/zinc/24/36/34/733243634.db2.gz SMCOCTUVRQTWBG-ZIAGYGMSSA-N 1 3 367.456 3.154 20 0 FGADHO CN1CCCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641078 733243636 /nfs/dbraw/zinc/24/36/36/733243636.db2.gz SMCOCTUVRQTWBG-ZIAGYGMSSA-N 1 3 367.456 3.154 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746859 736713463 /nfs/dbraw/zinc/71/34/63/736713463.db2.gz ZRZGCIZPBQVJQF-UHFFFAOYSA-N 1 3 355.448 3.226 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878321815 736806590 /nfs/dbraw/zinc/80/65/90/736806590.db2.gz HVYJYRJHOBOSDD-SFHVURJKSA-N 1 3 351.579 3.071 20 0 FGADHO COCCCC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845019 739942858 /nfs/dbraw/zinc/94/28/58/739942858.db2.gz LBVCZEVWYNQOTO-BGYRXZFFSA-N 1 3 351.579 3.074 20 0 FGADHO COCCCC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845019 739942859 /nfs/dbraw/zinc/94/28/59/739942859.db2.gz LBVCZEVWYNQOTO-BGYRXZFFSA-N 1 3 351.579 3.074 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccsc1 ZINC000891877756 739946854 /nfs/dbraw/zinc/94/68/54/739946854.db2.gz NQWGIWFVEWHGBG-QGZVFWFLSA-N 1 3 364.559 3.011 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791333 743775927 /nfs/dbraw/zinc/77/59/27/743775927.db2.gz UMLQLXORSZMLOR-HUUCEWRRSA-N 1 3 358.452 3.025 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CCN1C ZINC000903270062 743832823 /nfs/dbraw/zinc/83/28/23/743832823.db2.gz CEJKJYHOPFXQQK-BZZMCLGOSA-N 1 3 355.448 3.122 20 0 FGADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956951 743905416 /nfs/dbraw/zinc/90/54/16/743905416.db2.gz NYFAJTNCAADUCO-CMPLNLGQSA-N 1 3 365.237 3.354 20 0 FGADHO [NH3+]C[C@@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373718 759106922 /nfs/dbraw/zinc/10/69/22/759106922.db2.gz PBSREWXKAKRJRK-CZUORRHYSA-N 1 3 361.313 3.230 20 0 FGADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000924993656 759429112 /nfs/dbraw/zinc/42/91/12/759429112.db2.gz QNPPXAOIHHAGJN-QAPCUYQASA-N 1 3 363.933 3.199 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925653463 759517266 /nfs/dbraw/zinc/51/72/66/759517266.db2.gz LSTTUJOATDVLOY-SJORKVTESA-N 1 3 369.351 3.184 20 0 FGADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998792294 765124144 /nfs/dbraw/zinc/12/41/44/765124144.db2.gz XELBLTVCADXJPK-RDHHWEPZSA-N 1 3 363.933 3.068 20 0 FGADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998792294 765124153 /nfs/dbraw/zinc/12/41/53/765124153.db2.gz XELBLTVCADXJPK-RDHHWEPZSA-N 1 3 363.933 3.068 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999204303 765147574 /nfs/dbraw/zinc/14/75/74/765147574.db2.gz DWNOKKPFYSUXAH-ZIFCJYIRSA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999204303 765147577 /nfs/dbraw/zinc/14/75/77/765147577.db2.gz DWNOKKPFYSUXAH-ZIFCJYIRSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105293 765974197 /nfs/dbraw/zinc/97/41/97/765974197.db2.gz YNMGUDORHUDRDU-AQDIXCGQSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105293 765974199 /nfs/dbraw/zinc/97/41/99/765974199.db2.gz YNMGUDORHUDRDU-AQDIXCGQSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001029741116 766151125 /nfs/dbraw/zinc/15/11/25/766151125.db2.gz JJKUNJMAWCCBTF-IJEWVQPXSA-N 1 3 369.962 3.022 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001029741116 766151128 /nfs/dbraw/zinc/15/11/28/766151128.db2.gz JJKUNJMAWCCBTF-IJEWVQPXSA-N 1 3 369.962 3.022 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001034216688 766233298 /nfs/dbraw/zinc/23/32/98/766233298.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 1 3 363.571 3.258 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001034216688 766233306 /nfs/dbraw/zinc/23/33/06/766233306.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 1 3 363.571 3.258 20 0 FGADHO C[NH+]1CCC(CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000044516460 257340534 /nfs/dbraw/zinc/34/05/34/257340534.db2.gz DFTOTBHQYIBJTF-UHFFFAOYSA-N 1 3 363.246 3.482 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000274617845 257374342 /nfs/dbraw/zinc/37/43/42/257374342.db2.gz JVKVUEMPGCMTLM-MRXNPFEDSA-N 1 3 360.546 3.322 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608390 505577780 /nfs/dbraw/zinc/57/77/80/505577780.db2.gz OUDVVAHTTGPXKA-BHYGNILZSA-N 1 3 364.415 3.450 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C4CC4)n3)CC2)CC1 ZINC000576765702 505588951 /nfs/dbraw/zinc/58/89/51/505588951.db2.gz PCIVTVBCMFKKJI-UHFFFAOYSA-N 1 3 356.514 3.094 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000576835481 505606327 /nfs/dbraw/zinc/60/63/27/505606327.db2.gz CDRPTUIBWLEPHO-UHFFFAOYSA-N 1 3 373.516 3.127 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000573840010 505632983 /nfs/dbraw/zinc/63/29/83/505632983.db2.gz NGVHVKZEPSTDHT-HTAPYJJXSA-N 1 3 363.505 3.215 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000076331058 493866892 /nfs/dbraw/zinc/86/68/92/493866892.db2.gz HKSLFFUXZKUOOQ-RMKNXTFCSA-N 1 3 363.505 3.315 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1)C1CC1 ZINC000081334324 493873544 /nfs/dbraw/zinc/87/35/44/493873544.db2.gz XAKCSERCLDAMSQ-LJQANCHMSA-N 1 3 357.542 3.475 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4ccccc43)CC2)CC1 ZINC000050802378 493935739 /nfs/dbraw/zinc/93/57/39/493935739.db2.gz HZRKNPNKNNRCPX-UHFFFAOYSA-N 1 3 351.494 3.128 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)CC3CCCC3)CC2)cc1 ZINC000577216954 505690023 /nfs/dbraw/zinc/69/00/23/505690023.db2.gz ZSQNIKPNGWXUQR-OAQYLSRUSA-N 1 3 360.542 3.438 20 0 FGADHO Cc1nc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000069748081 494006930 /nfs/dbraw/zinc/00/69/30/494006930.db2.gz VUIIELVOMOOODP-UHFFFAOYSA-N 1 3 358.555 3.139 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000069816676 494016349 /nfs/dbraw/zinc/01/63/49/494016349.db2.gz KFGSVAJFSSXABZ-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO Brc1ccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199995 494033060 /nfs/dbraw/zinc/03/30/60/494033060.db2.gz SAERDPAWJLJAFQ-QGZVFWFLSA-N 1 3 353.304 3.292 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280660 505699383 /nfs/dbraw/zinc/69/93/83/505699383.db2.gz CPUDEEUIBGGVGA-BHIYHBOVSA-N 1 3 369.509 3.274 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717449 494264197 /nfs/dbraw/zinc/26/41/97/494264197.db2.gz IWFIVOHKZYDBIO-GHTZIAJQSA-N 1 3 372.557 3.242 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066158833 494280180 /nfs/dbraw/zinc/28/01/80/494280180.db2.gz GJRPKQMMFCOJTJ-GOSISDBHSA-N 1 3 374.529 3.109 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000066175951 494284145 /nfs/dbraw/zinc/28/41/45/494284145.db2.gz SBWWPQPOWHXSNI-OAQYLSRUSA-N 1 3 370.541 3.052 20 0 FGADHO Cc1ccccc1NC(=O)C[C@@H](C)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594607 494327741 /nfs/dbraw/zinc/32/77/41/494327741.db2.gz NGFYRAZZKMUNHE-LJQANCHMSA-N 1 3 373.541 3.337 20 0 FGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382546 505717190 /nfs/dbraw/zinc/71/71/90/505717190.db2.gz XCLMIKOSFVFIDF-NHCUHLMSSA-N 1 3 350.510 3.394 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000078946482 494382335 /nfs/dbraw/zinc/38/23/35/494382335.db2.gz RBMSAIGPGPGJHM-UHFFFAOYSA-N 1 3 372.557 3.135 20 0 FGADHO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038805 494432133 /nfs/dbraw/zinc/43/21/33/494432133.db2.gz UCKJGZCUEKJQJW-SFHVURJKSA-N 1 3 353.510 3.007 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000079380029 494442825 /nfs/dbraw/zinc/44/28/25/494442825.db2.gz BYZUCDGHKHHIBS-UHFFFAOYSA-N 1 3 367.493 3.475 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000045757034 494457517 /nfs/dbraw/zinc/45/75/17/494457517.db2.gz WVETWZMWMKCGPT-UHFFFAOYSA-N 1 3 374.573 3.189 20 0 FGADHO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000090541741 494480180 /nfs/dbraw/zinc/48/01/80/494480180.db2.gz VPPQILBPVBFLST-XKGZKEIXSA-N 1 3 364.555 3.332 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000079826163 494531275 /nfs/dbraw/zinc/53/12/75/494531275.db2.gz FYDGRJRAWZRPNW-OAQYLSRUSA-N 1 3 374.573 3.443 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000079826163 494531276 /nfs/dbraw/zinc/53/12/76/494531276.db2.gz FYDGRJRAWZRPNW-OAQYLSRUSA-N 1 3 374.573 3.443 20 0 FGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000091375272 494590211 /nfs/dbraw/zinc/59/02/11/494590211.db2.gz QPJXKOURILGSKX-MRXNPFEDSA-N 1 3 373.928 3.352 20 0 FGADHO C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131360847 494594265 /nfs/dbraw/zinc/59/42/65/494594265.db2.gz FTPTYZKIFORVKX-SFHVURJKSA-N 1 3 368.525 3.473 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608442 /nfs/dbraw/zinc/60/84/42/494608442.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608450 /nfs/dbraw/zinc/60/84/50/494608450.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000568606897 505735911 /nfs/dbraw/zinc/73/59/11/505735911.db2.gz UIPBCAHFVHQEHA-UHFFFAOYSA-N 1 3 362.543 3.019 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000092648633 494692437 /nfs/dbraw/zinc/69/24/37/494692437.db2.gz XKMNCUNXZYNNKL-UHFFFAOYSA-N 1 3 367.541 3.252 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561911 494741120 /nfs/dbraw/zinc/74/11/20/494741120.db2.gz MPQQLANEMOYYSJ-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561911 494741126 /nfs/dbraw/zinc/74/11/26/494741126.db2.gz MPQQLANEMOYYSJ-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCCN(C)C3)c2)CC1 ZINC000108573501 494742440 /nfs/dbraw/zinc/74/24/40/494742440.db2.gz RUYSKHHQBDZYHN-OAQYLSRUSA-N 1 3 372.557 3.060 20 0 FGADHO CCC[C@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821457 494763040 /nfs/dbraw/zinc/76/30/40/494763040.db2.gz QNWRXXFIHCVTER-ZWKOTPCHSA-N 1 3 360.546 3.313 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC(C)(C)C ZINC000092821048 494764198 /nfs/dbraw/zinc/76/41/98/494764198.db2.gz ZFYXOXDHVUWYCT-UHFFFAOYSA-N 1 3 360.546 3.172 20 0 FGADHO C[C@@H]1C[C@H](C)CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821319 494764636 /nfs/dbraw/zinc/76/46/36/494764636.db2.gz MHVPGSGRJRPMAO-KDURUIRLSA-N 1 3 372.557 3.124 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126544748 494784976 /nfs/dbraw/zinc/78/49/76/494784976.db2.gz FSWHKDGXEMVZAD-LJQANCHMSA-N 1 3 365.949 3.479 20 0 FGADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1OCC(F)(F)F ZINC000093088935 494825006 /nfs/dbraw/zinc/82/50/06/494825006.db2.gz SWFMLKOXHHUDAT-UHFFFAOYSA-N 1 3 360.420 3.410 20 0 FGADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1OCC(F)(F)F ZINC000093088935 494825009 /nfs/dbraw/zinc/82/50/09/494825009.db2.gz SWFMLKOXHHUDAT-UHFFFAOYSA-N 1 3 360.420 3.410 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121869827 494879210 /nfs/dbraw/zinc/87/92/10/494879210.db2.gz WWZWJLJASNAEMC-NRFANRHFSA-N 1 3 357.542 3.005 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000121871047 494879527 /nfs/dbraw/zinc/87/95/27/494879527.db2.gz VRZCBKJRAVITAC-IBGZPJMESA-N 1 3 365.949 3.478 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392828 505748246 /nfs/dbraw/zinc/74/82/46/505748246.db2.gz YYBBTMBGCWWUIT-AFXVXQJMSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392828 505748251 /nfs/dbraw/zinc/74/82/51/505748251.db2.gz YYBBTMBGCWWUIT-AFXVXQJMSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392828 505748253 /nfs/dbraw/zinc/74/82/53/505748253.db2.gz YYBBTMBGCWWUIT-AFXVXQJMSA-N 1 3 372.553 3.462 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906327 /nfs/dbraw/zinc/90/63/27/494906327.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 1 3 360.498 3.173 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906330 /nfs/dbraw/zinc/90/63/30/494906330.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 1 3 360.498 3.173 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000127231629 494913925 /nfs/dbraw/zinc/91/39/25/494913925.db2.gz ZYTMLKUIRWAZQU-ZIFCJYIRSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000127231629 494913928 /nfs/dbraw/zinc/91/39/28/494913928.db2.gz ZYTMLKUIRWAZQU-ZIFCJYIRSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000127231629 494913929 /nfs/dbraw/zinc/91/39/29/494913929.db2.gz ZYTMLKUIRWAZQU-ZIFCJYIRSA-N 1 3 362.537 3.101 20 0 FGADHO COc1cc(C)c(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735098 494914682 /nfs/dbraw/zinc/91/46/82/494914682.db2.gz ZZMRDUXKGOJKGC-UHFFFAOYSA-N 1 3 362.514 3.089 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093769494 494918754 /nfs/dbraw/zinc/91/87/54/494918754.db2.gz NBELAEZCDNGQRO-UHFFFAOYSA-N 1 3 350.551 3.209 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093769494 494918759 /nfs/dbraw/zinc/91/87/59/494918759.db2.gz NBELAEZCDNGQRO-UHFFFAOYSA-N 1 3 350.551 3.209 20 0 FGADHO CC1CC[NH+](CCCNCc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000132792869 494925379 /nfs/dbraw/zinc/92/53/79/494925379.db2.gz UNGMDEZRALQLJI-UHFFFAOYSA-N 1 3 372.601 3.429 20 0 FGADHO CN(c1ccccc1CN1CCC([NH+]2CCCC2)CC1)C1CCN(C)CC1 ZINC000127743119 494991132 /nfs/dbraw/zinc/99/11/32/494991132.db2.gz KJIPTYYAWYHUBG-UHFFFAOYSA-N 1 3 370.585 3.277 20 0 FGADHO C[N@H+](Cc1ccccc1NC(=O)C[C@@H]1CSCCN1)C1CCCCC1 ZINC000133354501 495004610 /nfs/dbraw/zinc/00/46/10/495004610.db2.gz ZPTZXGXVNIJFNJ-QGZVFWFLSA-N 1 3 361.555 3.485 20 0 FGADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CSCCN1)C1CCCCC1 ZINC000133354501 495004615 /nfs/dbraw/zinc/00/46/15/495004615.db2.gz ZPTZXGXVNIJFNJ-QGZVFWFLSA-N 1 3 361.555 3.485 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122741070 495023358 /nfs/dbraw/zinc/02/33/58/495023358.db2.gz CCZGPSAILQBDSY-FQEVSTJZSA-N 1 3 365.949 3.176 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029133 /nfs/dbraw/zinc/02/91/33/495029133.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 1 3 373.585 3.161 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008297 495030908 /nfs/dbraw/zinc/03/09/08/495030908.db2.gz ZZEAKHHGVUMLDS-FPCVCCKLSA-N 1 3 353.457 3.185 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008297 495030911 /nfs/dbraw/zinc/03/09/11/495030911.db2.gz ZZEAKHHGVUMLDS-FPCVCCKLSA-N 1 3 353.457 3.185 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128015825 495031495 /nfs/dbraw/zinc/03/14/95/495031495.db2.gz ZTBWQZMULPMCNV-IRXDYDNUSA-N 1 3 369.509 3.086 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128015825 495031497 /nfs/dbraw/zinc/03/14/97/495031497.db2.gz ZTBWQZMULPMCNV-IRXDYDNUSA-N 1 3 369.509 3.086 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123123913 495084125 /nfs/dbraw/zinc/08/41/25/495084125.db2.gz HTVXPCXVTIHYPN-LJQANCHMSA-N 1 3 359.558 3.396 20 0 FGADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128431237 495095840 /nfs/dbraw/zinc/09/58/40/495095840.db2.gz AZFCBVJKKDVQKU-KRWDZBQOSA-N 1 3 369.500 3.226 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC000111816300 495115399 /nfs/dbraw/zinc/11/53/99/495115399.db2.gz FXALRZQCUUAMPK-GOSISDBHSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590876 505767757 /nfs/dbraw/zinc/76/77/57/505767757.db2.gz CVIWOWHGNKHDEY-WAOWUJCRSA-N 1 3 355.526 3.085 20 0 FGADHO CC(C)[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103312126 495218664 /nfs/dbraw/zinc/21/86/64/495218664.db2.gz YRXPOYDKEQPVIL-UXHICEINSA-N 1 3 364.578 3.059 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1cccs1 ZINC000119803579 495245086 /nfs/dbraw/zinc/24/50/86/495245086.db2.gz TXWYUQKCBWEDFG-UHFFFAOYSA-N 1 3 360.527 3.372 20 0 FGADHO O=C(C1CC[NH+](CCCN2CCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000119986835 495283007 /nfs/dbraw/zinc/28/30/07/495283007.db2.gz KRLSBEXGTZHMEH-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480477 495365689 /nfs/dbraw/zinc/36/56/89/495365689.db2.gz AKQAHMJMLNGMGM-CJNGLKHVSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480477 495365692 /nfs/dbraw/zinc/36/56/92/495365692.db2.gz AKQAHMJMLNGMGM-CJNGLKHVSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)C[NH+](C)C ZINC000120422691 495374037 /nfs/dbraw/zinc/37/40/37/495374037.db2.gz RSRLTMVMJSBNCM-ZDUSSCGKSA-N 1 3 370.335 3.344 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000125839822 495506669 /nfs/dbraw/zinc/50/66/69/495506669.db2.gz FHXRWMNIMCRFGO-ZWKOTPCHSA-N 1 3 364.530 3.491 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125882682 495513731 /nfs/dbraw/zinc/51/37/31/495513731.db2.gz SZYKVTYWHKUQAT-IAGOWNOFSA-N 1 3 367.559 3.219 20 0 FGADHO C(NC1CC[NH+](C2CCCCC2)CC1)C1(N2CCOCC2)CCCCC1 ZINC000154154483 495530205 /nfs/dbraw/zinc/53/02/05/495530205.db2.gz JHFIMAWEZKRSSN-UHFFFAOYSA-N 1 3 363.590 3.408 20 0 FGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1(N2CCOCC2)CCCCC1 ZINC000154154483 495530207 /nfs/dbraw/zinc/53/02/07/495530207.db2.gz JHFIMAWEZKRSSN-UHFFFAOYSA-N 1 3 363.590 3.408 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535078 /nfs/dbraw/zinc/53/50/78/495535078.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535082 /nfs/dbraw/zinc/53/50/82/495535082.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCN(C)C3CC3)c2)CC1 ZINC000185336144 495537009 /nfs/dbraw/zinc/53/70/09/495537009.db2.gz QPPRGCHGOSKUGW-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCCC1 ZINC000170683006 495563116 /nfs/dbraw/zinc/56/31/16/495563116.db2.gz CGKDHXCSNQOPLD-CQSZACIVSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH+]1CCCC1 ZINC000170683006 495563122 /nfs/dbraw/zinc/56/31/22/495563122.db2.gz CGKDHXCSNQOPLD-CQSZACIVSA-N 1 3 368.319 3.242 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154326595 495582119 /nfs/dbraw/zinc/58/21/19/495582119.db2.gz QCZNUXWJBVBMAV-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1Br ZINC000154360851 495592793 /nfs/dbraw/zinc/59/27/93/495592793.db2.gz HATOLEAKYXJNJB-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618872 495617544 /nfs/dbraw/zinc/61/75/44/495617544.db2.gz SQZKPFNKEMHJMJ-HUUCEWRRSA-N 1 3 351.922 3.368 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000170979936 495675625 /nfs/dbraw/zinc/67/56/25/495675625.db2.gz MCYCLFHGDKVTET-IBGZPJMESA-N 1 3 369.553 3.171 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150965561 495696482 /nfs/dbraw/zinc/69/64/82/495696482.db2.gz SGCPOAYVSNARDM-FQEVSTJZSA-N 1 3 359.539 3.102 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccccc2F)CC1 ZINC000151001279 495708368 /nfs/dbraw/zinc/70/83/68/495708368.db2.gz GBDUSEXJUJMUSQ-QGZVFWFLSA-N 1 3 363.521 3.447 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118071 495826202 /nfs/dbraw/zinc/82/62/02/495826202.db2.gz PSCVQANIELDCDU-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@@H](NCc1cccnc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000151449048 495842664 /nfs/dbraw/zinc/84/26/64/495842664.db2.gz IHIDXCCWCYLGAN-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000151569247 495880956 /nfs/dbraw/zinc/88/09/56/495880956.db2.gz QHLZZCFMZBJXRV-INIZCTEOSA-N 1 3 358.482 3.495 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(C)(C)c3ccccc3)CC2)CC1 ZINC000151599676 495889954 /nfs/dbraw/zinc/88/99/54/495889954.db2.gz APNSTAPIZANMTN-UHFFFAOYSA-N 1 3 371.569 3.419 20 0 FGADHO Cc1ccc(F)cc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180228102 495915480 /nfs/dbraw/zinc/91/54/80/495915480.db2.gz KDSSJMJVHFXBGY-UHFFFAOYSA-N 1 3 369.484 3.250 20 0 FGADHO CNC(=O)c1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000174402721 495942697 /nfs/dbraw/zinc/94/26/97/495942697.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000174402721 495942705 /nfs/dbraw/zinc/94/27/05/495942705.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785105 505814821 /nfs/dbraw/zinc/81/48/21/505814821.db2.gz AHRMQUFYAFABFC-MRDQGFSESA-N 1 3 374.550 3.356 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(OCCN(C)C)c1 ZINC000155502811 495976264 /nfs/dbraw/zinc/97/62/64/495976264.db2.gz AUQSSFJYRPJAQL-GOSISDBHSA-N 1 3 361.530 3.070 20 0 FGADHO CC(C)C1(C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000186556433 496043516 /nfs/dbraw/zinc/04/35/16/496043516.db2.gz CZCWHTSKNKGIAU-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)N1CCCCC1 ZINC000580710552 505820258 /nfs/dbraw/zinc/82/02/58/505820258.db2.gz FEQNZPRSDJQXMY-KAGYGMCKSA-N 1 3 360.542 3.296 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000174770191 496099409 /nfs/dbraw/zinc/09/94/09/496099409.db2.gz MSDKEIXSZROPHK-UHFFFAOYSA-N 1 3 357.542 3.060 20 0 FGADHO CN(CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152491111 496167206 /nfs/dbraw/zinc/16/72/06/496167206.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152491111 496167215 /nfs/dbraw/zinc/16/72/15/496167215.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000156155011 496172899 /nfs/dbraw/zinc/17/28/99/496172899.db2.gz RXMQAMNPKVQNAH-IBGZPJMESA-N 1 3 370.459 3.417 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000181049161 496252791 /nfs/dbraw/zinc/25/27/91/496252791.db2.gz SERXRBGJAHUBAR-LJQANCHMSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000184233715 496296829 /nfs/dbraw/zinc/29/68/29/496296829.db2.gz FCLZUHWALUWPDL-ICSRJNTNSA-N 1 3 357.542 3.455 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178034077 496296883 /nfs/dbraw/zinc/29/68/83/496296883.db2.gz ARXQLAJSRRDHOK-FUHIMQAGSA-N 1 3 362.514 3.388 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034919 496298002 /nfs/dbraw/zinc/29/80/02/496298002.db2.gz QBSRLDBTBSABAD-ITTUMRLJSA-N 1 3 359.558 3.128 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000156900255 496359549 /nfs/dbraw/zinc/35/95/49/496359549.db2.gz XPCAWXYNIATHMP-MNLRITNHSA-N 1 3 374.573 3.271 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157016000 496386314 /nfs/dbraw/zinc/38/63/14/496386314.db2.gz GEJAIPYAKWGOEP-AEFFLSMTSA-N 1 3 361.530 3.102 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000175574316 496448718 /nfs/dbraw/zinc/44/87/18/496448718.db2.gz KNQGLJBNYJDWHI-BBWFWOEESA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000187474459 496457309 /nfs/dbraw/zinc/45/73/09/496457309.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 1 3 374.573 3.125 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000187474459 496457316 /nfs/dbraw/zinc/45/73/16/496457316.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 1 3 374.573 3.125 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707588 496511093 /nfs/dbraw/zinc/51/10/93/496511093.db2.gz UBRUVTDBGYROOU-YADHBBJMSA-N 1 3 372.553 3.471 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000175753384 496529750 /nfs/dbraw/zinc/52/97/50/496529750.db2.gz GEDGMDWCJUFRQP-GOSISDBHSA-N 1 3 372.557 3.213 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000578048850 505849657 /nfs/dbraw/zinc/84/96/57/505849657.db2.gz SGQBPSYNCJGKOI-OAQYLSRUSA-N 1 3 364.493 3.118 20 0 FGADHO C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056075 496535965 /nfs/dbraw/zinc/53/59/65/496535965.db2.gz RARLHVRUCOGHCB-AEFFLSMTSA-N 1 3 363.521 3.130 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000157962311 496596715 /nfs/dbraw/zinc/59/67/15/496596715.db2.gz DSLCRAKKAWISNO-OIISXLGYSA-N 1 3 351.922 3.247 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000157962311 496596721 /nfs/dbraw/zinc/59/67/21/496596721.db2.gz DSLCRAKKAWISNO-OIISXLGYSA-N 1 3 351.922 3.247 20 0 FGADHO CC[C@@H](C)Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175959678 496618782 /nfs/dbraw/zinc/61/87/82/496618782.db2.gz FTNDDDZSGGFQKV-QGZVFWFLSA-N 1 3 373.541 3.152 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000164735886 496630002 /nfs/dbraw/zinc/63/00/02/496630002.db2.gz JYCQLFGMHHVUJO-KYJSFNMBSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000164735886 496630005 /nfs/dbraw/zinc/63/00/05/496630005.db2.gz JYCQLFGMHHVUJO-KYJSFNMBSA-N 1 3 366.347 3.348 20 0 FGADHO COc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000173329775 496645754 /nfs/dbraw/zinc/64/57/54/496645754.db2.gz XJRGLNPABYPEER-MRXNPFEDSA-N 1 3 358.482 3.495 20 0 FGADHO COc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000173329762 496646205 /nfs/dbraw/zinc/64/62/05/496646205.db2.gz XJRGLNPABYPEER-INIZCTEOSA-N 1 3 358.482 3.495 20 0 FGADHO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000165614326 496664421 /nfs/dbraw/zinc/66/44/21/496664421.db2.gz MSRKKWNSKBECBP-KRWDZBQOSA-N 1 3 369.509 3.479 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000173411997 496681625 /nfs/dbraw/zinc/68/16/25/496681625.db2.gz LFTWXNQNACBLTM-FPOVZHCZSA-N 1 3 374.573 3.225 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000173411997 496681631 /nfs/dbraw/zinc/68/16/31/496681631.db2.gz LFTWXNQNACBLTM-FPOVZHCZSA-N 1 3 374.573 3.225 20 0 FGADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186410 496705300 /nfs/dbraw/zinc/70/53/00/496705300.db2.gz GETFGFPMCCWDBW-SFTDATJTSA-N 1 3 370.541 3.138 20 0 FGADHO Fc1cccnc1N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000168145853 496708477 /nfs/dbraw/zinc/70/84/77/496708477.db2.gz FGPXJHJRNVQLTH-FQEVSTJZSA-N 1 3 368.500 3.096 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000191378160 496742803 /nfs/dbraw/zinc/74/28/03/496742803.db2.gz IMAASEWQOPLPNR-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000191378160 496742806 /nfs/dbraw/zinc/74/28/06/496742806.db2.gz IMAASEWQOPLPNR-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000273241822 496749629 /nfs/dbraw/zinc/74/96/29/496749629.db2.gz QIAOVNMWZWCOLE-HZPDHXFCSA-N 1 3 351.560 3.243 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000273241824 496750412 /nfs/dbraw/zinc/75/04/12/496750412.db2.gz QIAOVNMWZWCOLE-JKSUJKDBSA-N 1 3 351.560 3.243 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000247069330 496769562 /nfs/dbraw/zinc/76/95/62/496769562.db2.gz QBSRLDBTBSABAD-GPQLQYNLSA-N 1 3 359.558 3.128 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247084474 496775170 /nfs/dbraw/zinc/77/51/70/496775170.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247084474 496775172 /nfs/dbraw/zinc/77/51/72/496775172.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 1 3 372.557 3.060 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247088555 496775735 /nfs/dbraw/zinc/77/57/35/496775735.db2.gz PHAQXIQQUOYUNJ-MSOLQXFVSA-N 1 3 356.514 3.382 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772875 496780210 /nfs/dbraw/zinc/78/02/10/496780210.db2.gz AIEHZAPXDYQZBN-JXFKEZNVSA-N 1 3 355.482 3.030 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1cccn1 ZINC000268768026 496780303 /nfs/dbraw/zinc/78/03/03/496780303.db2.gz OOGBJMCKHONRST-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1cccn1 ZINC000268768026 496780308 /nfs/dbraw/zinc/78/03/08/496780308.db2.gz OOGBJMCKHONRST-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247118974 496784688 /nfs/dbraw/zinc/78/46/88/496784688.db2.gz AIZQWVWNSDFOFB-FTRWYGJKSA-N 1 3 351.485 3.249 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247118974 496784691 /nfs/dbraw/zinc/78/46/91/496784691.db2.gz AIZQWVWNSDFOFB-FTRWYGJKSA-N 1 3 351.485 3.249 20 0 FGADHO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503235 496787063 /nfs/dbraw/zinc/78/70/63/496787063.db2.gz BWMYKQZIFKNIFO-TZIWHRDSSA-N 1 3 359.558 3.289 20 0 FGADHO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503235 496787068 /nfs/dbraw/zinc/78/70/68/496787068.db2.gz BWMYKQZIFKNIFO-TZIWHRDSSA-N 1 3 359.558 3.289 20 0 FGADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800893 496789518 /nfs/dbraw/zinc/78/95/18/496789518.db2.gz ANBCPEGFHDGICX-DENIHFKCSA-N 1 3 359.558 3.130 20 0 FGADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800899 496790110 /nfs/dbraw/zinc/79/01/10/496790110.db2.gz ANBCPEGFHDGICX-SIKLNZKXSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837510 /nfs/dbraw/zinc/83/75/10/496837510.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837513 /nfs/dbraw/zinc/83/75/13/496837513.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000268985046 496842146 /nfs/dbraw/zinc/84/21/46/496842146.db2.gz LHMJMSONRZLYBL-SFHVURJKSA-N 1 3 354.494 3.373 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000248062703 496950020 /nfs/dbraw/zinc/95/00/20/496950020.db2.gz YXICMSRAEDNDKC-OPYAIIAOSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000248062703 496950026 /nfs/dbraw/zinc/95/00/26/496950026.db2.gz YXICMSRAEDNDKC-OPYAIIAOSA-N 1 3 371.529 3.055 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985604 496953689 /nfs/dbraw/zinc/95/36/89/496953689.db2.gz IZMZACDIPOXSGK-FQEVSTJZSA-N 1 3 356.510 3.316 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985604 496953692 /nfs/dbraw/zinc/95/36/92/496953692.db2.gz IZMZACDIPOXSGK-FQEVSTJZSA-N 1 3 356.510 3.316 20 0 FGADHO [NH3+]C[C@H]1CN(Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952693 505875880 /nfs/dbraw/zinc/87/58/80/505875880.db2.gz PVWCABREJQVZCE-NRFANRHFSA-N 1 3 366.505 3.453 20 0 FGADHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396918 496994354 /nfs/dbraw/zinc/99/43/54/496994354.db2.gz KUUZBQZJPCHVFG-GUDVDZBRSA-N 1 3 363.571 3.012 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403326 496998490 /nfs/dbraw/zinc/99/84/90/496998490.db2.gz OMNAKIGIJQXZPK-MLCQCVOFSA-N 1 3 372.553 3.320 20 0 FGADHO c1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432730 497097530 /nfs/dbraw/zinc/09/75/30/497097530.db2.gz WBOFHUZSWNXKFS-YSIASYRMSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432730 497097532 /nfs/dbraw/zinc/09/75/32/497097532.db2.gz WBOFHUZSWNXKFS-YSIASYRMSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432730 497097534 /nfs/dbraw/zinc/09/75/34/497097534.db2.gz WBOFHUZSWNXKFS-YSIASYRMSA-N 1 3 368.550 3.032 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393747 497099960 /nfs/dbraw/zinc/09/99/60/497099960.db2.gz ZFQFXDFJUXMACV-HNNXBMFYSA-N 1 3 367.563 3.146 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393747 497099966 /nfs/dbraw/zinc/09/99/66/497099966.db2.gz ZFQFXDFJUXMACV-HNNXBMFYSA-N 1 3 367.563 3.146 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236651870 497127588 /nfs/dbraw/zinc/12/75/88/497127588.db2.gz MWHZQDNLASRFDM-VXKWHMMOSA-N 1 3 365.521 3.318 20 0 FGADHO CNC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248955636 497140371 /nfs/dbraw/zinc/14/03/71/497140371.db2.gz FUTGDMOFPUQDKP-OEWRPIJISA-N 1 3 365.521 3.292 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000236801432 497147410 /nfs/dbraw/zinc/14/74/10/497147410.db2.gz LOYGTDUZIJUKSU-FCHUYYIVSA-N 1 3 359.558 3.249 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(OCCN(C)C)c1 ZINC000265676786 497158755 /nfs/dbraw/zinc/15/87/55/497158755.db2.gz AVJKOJGBLHCUQX-SFHVURJKSA-N 1 3 374.529 3.028 20 0 FGADHO CC[NH+](CC)CCOc1cc(NC(=O)C2(N)CCCCC2)ccc1OC ZINC000236877145 497161228 /nfs/dbraw/zinc/16/12/28/497161228.db2.gz MBNBXKQNQMPURK-UHFFFAOYSA-N 1 3 363.502 3.016 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000265704782 497164471 /nfs/dbraw/zinc/16/44/71/497164471.db2.gz AKLCGSKPTKZZNO-QWFCFKBJSA-N 1 3 360.546 3.021 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887395 497191547 /nfs/dbraw/zinc/19/15/47/497191547.db2.gz ITEXHGAKQHNKQE-SLYNCCJLSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887395 497191553 /nfs/dbraw/zinc/19/15/53/497191553.db2.gz ITEXHGAKQHNKQE-SLYNCCJLSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274887395 497191559 /nfs/dbraw/zinc/19/15/59/497191559.db2.gz ITEXHGAKQHNKQE-SLYNCCJLSA-N 1 3 354.494 3.229 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946145 497214343 /nfs/dbraw/zinc/21/43/43/497214343.db2.gz JQMGSCIQJIHHTF-GHTZIAJQSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946145 497214347 /nfs/dbraw/zinc/21/43/47/497214347.db2.gz JQMGSCIQJIHHTF-GHTZIAJQSA-N 1 3 357.542 3.475 20 0 FGADHO COc1ccccc1C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000192796065 497216140 /nfs/dbraw/zinc/21/61/40/497216140.db2.gz YIPUEAZWHYAPTP-NRFANRHFSA-N 1 3 361.574 3.268 20 0 FGADHO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798999 497217253 /nfs/dbraw/zinc/21/72/53/497217253.db2.gz DEWKABQTOTYXCV-NRFANRHFSA-N 1 3 358.574 3.003 20 0 FGADHO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798999 497217259 /nfs/dbraw/zinc/21/72/59/497217259.db2.gz DEWKABQTOTYXCV-NRFANRHFSA-N 1 3 358.574 3.003 20 0 FGADHO Cc1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237372508 497227895 /nfs/dbraw/zinc/22/78/95/497227895.db2.gz MSYPELXEMJVJAZ-HKUYNNGSSA-N 1 3 373.541 3.434 20 0 FGADHO C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237441873 497237405 /nfs/dbraw/zinc/23/74/05/497237405.db2.gz UFPAQFYMNKXJNE-KVSKMBFKSA-N 1 3 357.523 3.337 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237481970 497243149 /nfs/dbraw/zinc/24/31/49/497243149.db2.gz KNCKFUWNYRYFTD-LAUBAEHRSA-N 1 3 351.494 3.071 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1F ZINC000578232240 505893850 /nfs/dbraw/zinc/89/38/50/505893850.db2.gz MQMRQGRDNWGZIF-OAQYLSRUSA-N 1 3 372.484 3.089 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922143 497247637 /nfs/dbraw/zinc/24/76/37/497247637.db2.gz PVNKFCPJUAGDJZ-GOSISDBHSA-N 1 3 370.493 3.324 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251566793 497278262 /nfs/dbraw/zinc/27/82/62/497278262.db2.gz HCBZXJPHRKZOSH-RBBKRZOGSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251566793 497278266 /nfs/dbraw/zinc/27/82/66/497278266.db2.gz HCBZXJPHRKZOSH-RBBKRZOGSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933457 497297858 /nfs/dbraw/zinc/29/78/58/497297858.db2.gz MRXJVAJNMIQLLX-CHWSQXEVSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933457 497297862 /nfs/dbraw/zinc/29/78/62/497297862.db2.gz MRXJVAJNMIQLLX-CHWSQXEVSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000189933457 497297865 /nfs/dbraw/zinc/29/78/65/497297865.db2.gz MRXJVAJNMIQLLX-CHWSQXEVSA-N 1 3 358.395 3.443 20 0 FGADHO [NH3+][C@@H](CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237950516 497319313 /nfs/dbraw/zinc/31/93/13/497319313.db2.gz MSBBOIWGOFZJDD-SFTDATJTSA-N 1 3 351.494 3.247 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000569298090 505899559 /nfs/dbraw/zinc/89/95/59/505899559.db2.gz RAIMPKQHXMERSG-ZWKOTPCHSA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000569298090 505899561 /nfs/dbraw/zinc/89/95/61/505899561.db2.gz RAIMPKQHXMERSG-ZWKOTPCHSA-N 1 3 360.546 3.240 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444284 497351596 /nfs/dbraw/zinc/35/15/96/497351596.db2.gz CSYMODACVFMGMF-XUVXKRRUSA-N 1 3 356.510 3.400 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC/C=C\c3ccccc3)CC2)CC1 ZINC000255163231 497360580 /nfs/dbraw/zinc/36/05/80/497360580.db2.gz FTXCNNVOHHKHNC-UITAMQMPSA-N 1 3 355.526 3.155 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N(CC)CC ZINC000271701634 497423543 /nfs/dbraw/zinc/42/35/43/497423543.db2.gz HNEOTMRXWGKLBO-FQEVSTJZSA-N 1 3 360.546 3.276 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275921842 497463369 /nfs/dbraw/zinc/46/33/69/497463369.db2.gz QCTYGDAVMKERQI-AWEZNQCLSA-N 1 3 359.333 3.008 20 0 FGADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892563 497469631 /nfs/dbraw/zinc/46/96/31/497469631.db2.gz UFDMOXIWRBCOII-FQEVSTJZSA-N 1 3 369.553 3.423 20 0 FGADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996042 497488840 /nfs/dbraw/zinc/48/88/40/497488840.db2.gz NSZPHMQOSOBIPE-QZTJIDSGSA-N 1 3 371.569 3.453 20 0 FGADHO CC(C)(C)N1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000245681765 497499488 /nfs/dbraw/zinc/49/94/88/497499488.db2.gz JAPXEFKGTJDIBG-WTGUMLROSA-N 1 3 355.526 3.171 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCS2 ZINC000276200182 497518871 /nfs/dbraw/zinc/51/88/71/497518871.db2.gz YOQZBVIQYGISIY-GUDVDZBRSA-N 1 3 362.539 3.200 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000262219360 497525687 /nfs/dbraw/zinc/52/56/87/497525687.db2.gz ZNKVJGPEDPEMLN-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000262219360 497525691 /nfs/dbraw/zinc/52/56/91/497525691.db2.gz ZNKVJGPEDPEMLN-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369454 497534957 /nfs/dbraw/zinc/53/49/57/497534957.db2.gz SKROTCBEDOPHLR-NQIIRXRSSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000246119359 497627354 /nfs/dbraw/zinc/62/73/54/497627354.db2.gz KGRYZECIQAFZGB-GHTZIAJQSA-N 1 3 351.498 3.024 20 0 FGADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000246119359 497627361 /nfs/dbraw/zinc/62/73/61/497627361.db2.gz KGRYZECIQAFZGB-GHTZIAJQSA-N 1 3 351.498 3.024 20 0 FGADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166850 497644942 /nfs/dbraw/zinc/64/49/42/497644942.db2.gz FPBOYYHLSPHNNI-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000262943363 497662273 /nfs/dbraw/zinc/66/22/73/497662273.db2.gz USAOTGXEFJXCNB-KXXHFCIOSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000262943363 497662278 /nfs/dbraw/zinc/66/22/78/497662278.db2.gz USAOTGXEFJXCNB-KXXHFCIOSA-N 1 3 365.521 3.349 20 0 FGADHO N[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000246238966 497670808 /nfs/dbraw/zinc/67/08/08/497670808.db2.gz DARDENMRTMXJHE-LQCXBHPOSA-N 1 3 363.505 3.388 20 0 FGADHO N[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000246238966 497670810 /nfs/dbraw/zinc/67/08/10/497670810.db2.gz DARDENMRTMXJHE-LQCXBHPOSA-N 1 3 363.505 3.388 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730718 497715147 /nfs/dbraw/zinc/71/51/47/497715147.db2.gz ILBQXRNQKYHDJP-UGKGYDQZSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730718 497715148 /nfs/dbraw/zinc/71/51/48/497715148.db2.gz ILBQXRNQKYHDJP-UGKGYDQZSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735377 497715628 /nfs/dbraw/zinc/71/56/28/497715628.db2.gz JQVDMSSUFPNJBS-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735377 497715635 /nfs/dbraw/zinc/71/56/35/497715635.db2.gz JQVDMSSUFPNJBS-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246400949 497722300 /nfs/dbraw/zinc/72/23/00/497722300.db2.gz LRNDTDIBKYLQBI-SLFFLAALSA-N 1 3 374.525 3.266 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724515 /nfs/dbraw/zinc/72/45/15/497724515.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724516 /nfs/dbraw/zinc/72/45/16/497724516.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444644 497736277 /nfs/dbraw/zinc/73/62/77/497736277.db2.gz OUAQAIAZYQUKQE-TUNNFDKTSA-N 1 3 358.574 3.250 20 0 FGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263229870 497737333 /nfs/dbraw/zinc/73/73/33/497737333.db2.gz NHUCOQAEPKTNLY-PUHATCMVSA-N 1 3 369.553 3.409 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472702 497746080 /nfs/dbraw/zinc/74/60/80/497746080.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472702 497746083 /nfs/dbraw/zinc/74/60/83/497746083.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000263284416 497749373 /nfs/dbraw/zinc/74/93/73/497749373.db2.gz TUAHBVOSKFSUAH-JOCHJYFZSA-N 1 3 365.521 3.249 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246522115 497762636 /nfs/dbraw/zinc/76/26/36/497762636.db2.gz URPBMKPNDKOLID-ZFWWWQNUSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246522115 497762640 /nfs/dbraw/zinc/76/26/40/497762640.db2.gz URPBMKPNDKOLID-ZFWWWQNUSA-N 1 3 368.319 3.158 20 0 FGADHO COc1cccc(OC)c1OC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000268519621 497771811 /nfs/dbraw/zinc/77/18/11/497771811.db2.gz FKPLOFREZGGLKK-QGZVFWFLSA-N 1 3 362.514 3.421 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000246568700 497776310 /nfs/dbraw/zinc/77/63/10/497776310.db2.gz ZHWAWQLSNMQIHH-JBACZVJFSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000246568700 497776316 /nfs/dbraw/zinc/77/63/16/497776316.db2.gz ZHWAWQLSNMQIHH-JBACZVJFSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246840142 497815592 /nfs/dbraw/zinc/81/55/92/497815592.db2.gz BQKWBNHHQPMSSM-YTQUADARSA-N 1 3 360.546 3.288 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870258 497817774 /nfs/dbraw/zinc/81/77/74/497817774.db2.gz CNXIEQANYBSWOZ-DEICHXMPSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870258 497817775 /nfs/dbraw/zinc/81/77/75/497817775.db2.gz CNXIEQANYBSWOZ-DEICHXMPSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289162547 498040071 /nfs/dbraw/zinc/04/00/71/498040071.db2.gz DRDHOLAYSMIPNI-QRQLOZEOSA-N 1 3 358.482 3.062 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289162547 498040074 /nfs/dbraw/zinc/04/00/74/498040074.db2.gz DRDHOLAYSMIPNI-QRQLOZEOSA-N 1 3 358.482 3.062 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000572451961 505972211 /nfs/dbraw/zinc/97/22/11/505972211.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000572451961 505972212 /nfs/dbraw/zinc/97/22/12/505972212.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO Oc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000285358772 498062708 /nfs/dbraw/zinc/06/27/08/498062708.db2.gz VOAAOCFEJOJSQH-GHTZIAJQSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000285358772 498062705 /nfs/dbraw/zinc/06/27/05/498062705.db2.gz VOAAOCFEJOJSQH-GHTZIAJQSA-N 1 3 352.478 3.126 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2F)CC1 ZINC000569596217 505972693 /nfs/dbraw/zinc/97/26/93/505972693.db2.gz ZVCMODVMNWWHHU-YLJYHZDGSA-N 1 3 372.484 3.381 20 0 FGADHO COc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000285449612 498089262 /nfs/dbraw/zinc/08/92/62/498089262.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 1 3 365.905 3.234 20 0 FGADHO COc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285449612 498089258 /nfs/dbraw/zinc/08/92/58/498089258.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 1 3 365.905 3.234 20 0 FGADHO C[N@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296571 498095559 /nfs/dbraw/zinc/09/55/59/498095559.db2.gz QILIDGVSFAOYMT-OALUTQOASA-N 1 3 358.482 3.062 20 0 FGADHO C[N@@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296571 498095565 /nfs/dbraw/zinc/09/55/65/498095565.db2.gz QILIDGVSFAOYMT-OALUTQOASA-N 1 3 358.482 3.062 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)CC1 ZINC000572496159 505983295 /nfs/dbraw/zinc/98/32/95/505983295.db2.gz DCSWMUCCFWDDFT-UHFFFAOYSA-N 1 3 371.525 3.332 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000364780494 498139390 /nfs/dbraw/zinc/13/93/90/498139390.db2.gz WBTUMCKYACGFNM-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285656522 498161538 /nfs/dbraw/zinc/16/15/38/498161538.db2.gz MNUJVWNTALSFAQ-INIZCTEOSA-N 1 3 365.477 3.464 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005859 498251093 /nfs/dbraw/zinc/25/10/93/498251093.db2.gz UJVJKFJBEZLKAD-ZDUSSCGKSA-N 1 3 352.416 3.100 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005859 498251102 /nfs/dbraw/zinc/25/11/02/498251102.db2.gz UJVJKFJBEZLKAD-ZDUSSCGKSA-N 1 3 352.416 3.100 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028779 498272408 /nfs/dbraw/zinc/27/24/08/498272408.db2.gz JAOVTHJKGFQEEA-SSGKUCQKSA-N 1 3 372.553 3.054 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000365070833 498283384 /nfs/dbraw/zinc/28/33/84/498283384.db2.gz YOAIXMJEHGKXAG-YMPZKCBVSA-N 1 3 372.553 3.328 20 0 FGADHO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738849 506010197 /nfs/dbraw/zinc/01/01/97/506010197.db2.gz FXFNSVFGNVCCOH-RDJZCZTQSA-N 1 3 370.440 3.015 20 0 FGADHO Cc1noc(CCCN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293163751 498291122 /nfs/dbraw/zinc/29/11/22/498291122.db2.gz CNJMNLJIXSVXOG-UHFFFAOYSA-N 1 3 354.498 3.299 20 0 FGADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)C2 ZINC000360999103 498331034 /nfs/dbraw/zinc/33/10/34/498331034.db2.gz MSRCBYQLDXEKIM-LCKKVJLRSA-N 1 3 362.521 3.143 20 0 FGADHO Cc1ccc([C@@H](NCCCN2CCN(C(C)C)CC2)c2ccccn2)cc1 ZINC000282032408 498366100 /nfs/dbraw/zinc/36/61/00/498366100.db2.gz KYKBOSRRJSBUEH-HSZRJFAPSA-N 1 3 366.553 3.485 20 0 FGADHO Cc1ccc([C@@H](NCCCN2CC[NH+](C(C)C)CC2)c2ccccn2)cc1 ZINC000282032408 498366106 /nfs/dbraw/zinc/36/61/06/498366106.db2.gz KYKBOSRRJSBUEH-HSZRJFAPSA-N 1 3 366.553 3.485 20 0 FGADHO COc1ccc([C@@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CCCN2C)cc1 ZINC000365236264 498366474 /nfs/dbraw/zinc/36/64/74/498366474.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 1 3 357.542 3.293 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610499 506027635 /nfs/dbraw/zinc/02/76/35/506027635.db2.gz QSKIFJGJNCGMTH-FQEVSTJZSA-N 1 3 357.542 3.223 20 0 FGADHO Nc1nccc([C@@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856270 506037840 /nfs/dbraw/zinc/03/78/40/506037840.db2.gz NHPHEVDXODYHDW-HXUWFJFHSA-N 1 3 365.525 3.255 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294672 498499205 /nfs/dbraw/zinc/49/92/05/498499205.db2.gz YETYAZXASSMTRW-AZUAARDMSA-N 1 3 355.530 3.294 20 0 FGADHO CCOc1c(OC)cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338287 498515064 /nfs/dbraw/zinc/51/50/64/498515064.db2.gz FGDLSXQIHAYEOP-SFHVURJKSA-N 1 3 362.514 3.266 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297627968 498516685 /nfs/dbraw/zinc/51/66/85/498516685.db2.gz LUDQSTOJGDESBQ-XMSQKQJNSA-N 1 3 350.510 3.161 20 0 FGADHO O=C(NCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949682 498564511 /nfs/dbraw/zinc/56/45/11/498564511.db2.gz BNFKVYYSOIUFIW-UXHICEINSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949682 498564501 /nfs/dbraw/zinc/56/45/01/498564501.db2.gz BNFKVYYSOIUFIW-UXHICEINSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949682 498564505 /nfs/dbraw/zinc/56/45/05/498564505.db2.gz BNFKVYYSOIUFIW-UXHICEINSA-N 1 3 359.514 3.300 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000294047265 498572393 /nfs/dbraw/zinc/57/23/93/498572393.db2.gz XYGIFSOTYOAHTC-UHFFFAOYSA-N 1 3 357.498 3.490 20 0 FGADHO [NH3+]CCCN(CC1CCCC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000576038115 506061711 /nfs/dbraw/zinc/06/17/11/506061711.db2.gz ZXWUPLIVVJJYEM-UHFFFAOYSA-N 1 3 357.542 3.266 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](C4CC4)C3)CC2)CC1 ZINC000576052244 506065288 /nfs/dbraw/zinc/06/52/88/506065288.db2.gz DGCRZFDMIJXCKQ-VQTJNVASSA-N 1 3 361.574 3.268 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000303269755 498658719 /nfs/dbraw/zinc/65/87/19/498658719.db2.gz HAOLEYCIPHJMCR-RTWAWAEBSA-N 1 3 372.557 3.258 20 0 FGADHO CN1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967032 498716276 /nfs/dbraw/zinc/71/62/76/498716276.db2.gz GASHZTWOVBCMDM-PXNSSMCTSA-N 1 3 363.933 3.181 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366001223 498725761 /nfs/dbraw/zinc/72/57/61/498725761.db2.gz NUFVMKNMCIRPCO-BEFAXECRSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366001223 498725767 /nfs/dbraw/zinc/72/57/67/498725767.db2.gz NUFVMKNMCIRPCO-BEFAXECRSA-N 1 3 357.523 3.233 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000313115930 498766569 /nfs/dbraw/zinc/76/65/69/498766569.db2.gz ZSEVLTPXKUEDOQ-FDFHNCONSA-N 1 3 364.489 3.473 20 0 FGADHO C[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000294710422 498779766 /nfs/dbraw/zinc/77/97/66/498779766.db2.gz BGOMAXZWORPLPP-OAHLLOKOSA-N 1 3 351.485 3.217 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087914 506091312 /nfs/dbraw/zinc/09/13/12/506091312.db2.gz GJWYZSICFPERMB-NVXWUHKLSA-N 1 3 370.440 3.015 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(F)c3Cl)CC2)CC1 ZINC000287596546 498808997 /nfs/dbraw/zinc/80/89/97/498808997.db2.gz HCEMSXNOKBCTEZ-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)c3ccc(C)cc3)CC2)CC1 ZINC000581952734 506098824 /nfs/dbraw/zinc/09/88/24/506098824.db2.gz SQEHTXOUGZVCDV-LJQANCHMSA-N 1 3 371.569 3.411 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000570145949 506101389 /nfs/dbraw/zinc/10/13/89/506101389.db2.gz VDVYRIQFNDFZHQ-IERDGZPVSA-N 1 3 364.493 3.464 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000570145949 506101393 /nfs/dbraw/zinc/10/13/93/506101393.db2.gz VDVYRIQFNDFZHQ-IERDGZPVSA-N 1 3 364.493 3.464 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630306 498881360 /nfs/dbraw/zinc/88/13/60/498881360.db2.gz JFDOLJWSLMVYCJ-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630306 498881367 /nfs/dbraw/zinc/88/13/67/498881367.db2.gz JFDOLJWSLMVYCJ-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129306 498908428 /nfs/dbraw/zinc/90/84/28/498908428.db2.gz JJSOIEUPVDYPQE-HOTGVXAUSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129306 498908433 /nfs/dbraw/zinc/90/84/33/498908433.db2.gz JJSOIEUPVDYPQE-HOTGVXAUSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCN(C2CCC2)C1 ZINC000333129306 498908439 /nfs/dbraw/zinc/90/84/39/498908439.db2.gz JJSOIEUPVDYPQE-HOTGVXAUSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129314 498909434 /nfs/dbraw/zinc/90/94/34/498909434.db2.gz JJSOIEUPVDYPQE-JKSUJKDBSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129314 498909436 /nfs/dbraw/zinc/90/94/36/498909436.db2.gz JJSOIEUPVDYPQE-JKSUJKDBSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCN(C2CCC2)C1 ZINC000333129314 498909442 /nfs/dbraw/zinc/90/94/42/498909442.db2.gz JJSOIEUPVDYPQE-JKSUJKDBSA-N 1 3 354.498 3.121 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3cccnc3Cl)CC2)CC1 ZINC000363664240 498932655 /nfs/dbraw/zinc/93/26/55/498932655.db2.gz XAGUQLODUYWJAK-UHFFFAOYSA-N 1 3 350.938 3.021 20 0 FGADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360362 499003530 /nfs/dbraw/zinc/00/35/30/499003530.db2.gz KPQWDZSCMJMAPV-TZIWHRDSSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)(O)CN1CCc2c(cccc2NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000363867462 499032138 /nfs/dbraw/zinc/03/21/38/499032138.db2.gz YOVUNYANGWJDRQ-UHFFFAOYSA-N 1 3 359.558 3.490 20 0 FGADHO CC(C)(C)OC(=O)N1CCC2(CCN(CCC[NH+]3CCCC3)C2)CC1 ZINC000364074115 499108350 /nfs/dbraw/zinc/10/83/50/499108350.db2.gz SFXFOVQKPKCSNN-UHFFFAOYSA-N 1 3 351.535 3.195 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184194 /nfs/dbraw/zinc/18/41/94/499184194.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 1 3 358.530 3.250 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184196 /nfs/dbraw/zinc/18/41/96/499184196.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 1 3 358.530 3.250 20 0 FGADHO C[C@@H](CCNC(=O)N1CCCC12CCN(C)CC2)[N@H+](C)Cc1ccccc1 ZINC000367467498 499202603 /nfs/dbraw/zinc/20/26/03/499202603.db2.gz PTFUJLSAJBUGMR-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CCNC(=O)N1CCCC12CCN(C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000367467498 499202604 /nfs/dbraw/zinc/20/26/04/499202604.db2.gz PTFUJLSAJBUGMR-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370698716 499245417 /nfs/dbraw/zinc/24/54/17/499245417.db2.gz JZOHPKNOMFLNKG-CRAIPNDOSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370698716 499245419 /nfs/dbraw/zinc/24/54/19/499245419.db2.gz JZOHPKNOMFLNKG-CRAIPNDOSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370705831 499246448 /nfs/dbraw/zinc/24/64/48/499246448.db2.gz JOFWWFBXPGPUGM-AUSIDOKSSA-N 1 3 364.537 3.206 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367995221 499253048 /nfs/dbraw/zinc/25/30/48/499253048.db2.gz YDTRPUACEGBEEW-SAKMYQHLSA-N 1 3 362.489 3.301 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367995221 499253049 /nfs/dbraw/zinc/25/30/49/499253049.db2.gz YDTRPUACEGBEEW-SAKMYQHLSA-N 1 3 362.489 3.301 20 0 FGADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000368212646 499274423 /nfs/dbraw/zinc/27/44/23/499274423.db2.gz PHBBSWLIHGPGIX-PWRODBHTSA-N 1 3 374.525 3.266 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(C2CCOCC2)CC1 ZINC000368366970 499289452 /nfs/dbraw/zinc/28/94/52/499289452.db2.gz KFKHTUPYYHNHLU-UHFFFAOYSA-N 1 3 374.525 3.407 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(C2CCOCC2)CC1 ZINC000368366970 499289454 /nfs/dbraw/zinc/28/94/54/499289454.db2.gz KFKHTUPYYHNHLU-UHFFFAOYSA-N 1 3 374.525 3.407 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448434 499470348 /nfs/dbraw/zinc/47/03/48/499470348.db2.gz LEUAFKXRJNTWNL-IHPCNDPISA-N 1 3 368.500 3.300 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448434 499470349 /nfs/dbraw/zinc/47/03/49/499470349.db2.gz LEUAFKXRJNTWNL-IHPCNDPISA-N 1 3 368.500 3.300 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355355 499506340 /nfs/dbraw/zinc/50/63/40/499506340.db2.gz KDIOKAJJBGZBOU-QGZVFWFLSA-N 1 3 360.473 3.389 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355355 499506341 /nfs/dbraw/zinc/50/63/41/499506341.db2.gz KDIOKAJJBGZBOU-QGZVFWFLSA-N 1 3 360.473 3.389 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643773 499542326 /nfs/dbraw/zinc/54/23/26/499542326.db2.gz GBULNRXBMDNLFF-NRSPTQNISA-N 1 3 354.494 3.069 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643773 499542327 /nfs/dbraw/zinc/54/23/27/499542327.db2.gz GBULNRXBMDNLFF-NRSPTQNISA-N 1 3 354.494 3.069 20 0 FGADHO OC1(C[NH2+][C@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)CC1 ZINC000397498590 499564132 /nfs/dbraw/zinc/56/41/32/499564132.db2.gz SWKFNAOUPMHVNE-NRFANRHFSA-N 1 3 354.469 3.430 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076365 499566146 /nfs/dbraw/zinc/56/61/46/499566146.db2.gz QSXUHKGIOVVICX-VURPSTOHSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000410352032 499656973 /nfs/dbraw/zinc/65/69/73/499656973.db2.gz HDNPFSZDXSLQDO-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000410352032 499656974 /nfs/dbraw/zinc/65/69/74/499656974.db2.gz HDNPFSZDXSLQDO-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411172914 499706297 /nfs/dbraw/zinc/70/62/97/499706297.db2.gz KEPVDBIPCAQOFS-SFHVURJKSA-N 1 3 366.571 3.202 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCOc3ccccc3C)CC2)CC1 ZINC000377593144 499707912 /nfs/dbraw/zinc/70/79/12/499707912.db2.gz LAWFHNTZIHNUQU-UHFFFAOYSA-N 1 3 359.558 3.256 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617293 499711139 /nfs/dbraw/zinc/71/11/39/499711139.db2.gz AJNNIDHAXVMRSC-YLJYHZDGSA-N 1 3 356.466 3.192 20 0 FGADHO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000377632572 499713585 /nfs/dbraw/zinc/71/35/85/499713585.db2.gz SZCRDIZZKMSTOA-QGZVFWFLSA-N 1 3 371.447 3.045 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377704282 499722462 /nfs/dbraw/zinc/72/24/62/499722462.db2.gz WNKNYEHSTYGZPC-HOJAQTOUSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377704282 499722463 /nfs/dbraw/zinc/72/24/63/499722463.db2.gz WNKNYEHSTYGZPC-HOJAQTOUSA-N 1 3 370.493 3.204 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000411454012 499742405 /nfs/dbraw/zinc/74/24/05/499742405.db2.gz AEOIKZUVNGLSQE-HXUWFJFHSA-N 1 3 363.933 3.371 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)cn1 ZINC000414126774 499762677 /nfs/dbraw/zinc/76/26/77/499762677.db2.gz FJKCENONPSLRBH-QGZVFWFLSA-N 1 3 369.509 3.284 20 0 FGADHO C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656195 499773625 /nfs/dbraw/zinc/77/36/25/499773625.db2.gz PUQYSNUAMWGCHX-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000414292038 499774849 /nfs/dbraw/zinc/77/48/49/499774849.db2.gz ADYHZNQKJSTSBO-LJQANCHMSA-N 1 3 367.537 3.430 20 0 FGADHO OC[C@@]1([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775494 499789315 /nfs/dbraw/zinc/78/93/15/499789315.db2.gz XXUOURLXODRYAV-FCHUYYIVSA-N 1 3 358.526 3.082 20 0 FGADHO O[C@@H]([C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798833 499791960 /nfs/dbraw/zinc/79/19/60/499791960.db2.gz JQANEXUZYYQDHC-MSOLQXFVSA-N 1 3 356.432 3.418 20 0 FGADHO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556171 499808301 /nfs/dbraw/zinc/80/83/01/499808301.db2.gz NTQHMINZIRIMFN-PXNSSMCTSA-N 1 3 357.542 3.300 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412013356 499812878 /nfs/dbraw/zinc/81/28/78/499812878.db2.gz NVQRMPDLQGTLPY-QFIPXVFZSA-N 1 3 371.569 3.256 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412013356 499812879 /nfs/dbraw/zinc/81/28/79/499812879.db2.gz NVQRMPDLQGTLPY-QFIPXVFZSA-N 1 3 371.569 3.256 20 0 FGADHO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679878 499820019 /nfs/dbraw/zinc/82/00/19/499820019.db2.gz SHCUFWYZGSRQDW-PXNSSMCTSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679878 499820021 /nfs/dbraw/zinc/82/00/21/499820021.db2.gz SHCUFWYZGSRQDW-PXNSSMCTSA-N 1 3 357.542 3.318 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC000414715277 499822209 /nfs/dbraw/zinc/82/22/09/499822209.db2.gz WINLPDHVKFMZFG-QFRKBEELSA-N 1 3 355.526 3.142 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC000414715277 499822211 /nfs/dbraw/zinc/82/22/11/499822211.db2.gz WINLPDHVKFMZFG-QFRKBEELSA-N 1 3 355.526 3.142 20 0 FGADHO C[C@H]1C[C@H](CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749413 499826483 /nfs/dbraw/zinc/82/64/83/499826483.db2.gz PUBJCKOIZNNKTE-ZWKOTPCHSA-N 1 3 370.566 3.316 20 0 FGADHO Clc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784257 499830715 /nfs/dbraw/zinc/83/07/15/499830715.db2.gz RAVSTQVAOUFKPT-HZPDHXFCSA-N 1 3 350.890 3.323 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000414795434 499832155 /nfs/dbraw/zinc/83/21/55/499832155.db2.gz WTYXWIDEESTRSF-MJGOQNOKSA-N 1 3 360.889 3.058 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842278 499836726 /nfs/dbraw/zinc/83/67/26/499836726.db2.gz OFHBPYIPMFHNFX-TZMCWYRMSA-N 1 3 361.408 3.265 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414877023 499840329 /nfs/dbraw/zinc/84/03/29/499840329.db2.gz FGIDDQCXDQFSHR-HXUWFJFHSA-N 1 3 370.497 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412382243 499850422 /nfs/dbraw/zinc/85/04/22/499850422.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412382243 499850423 /nfs/dbraw/zinc/85/04/23/499850423.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 1 3 357.542 3.231 20 0 FGADHO COCCOc1ccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414997341 499853056 /nfs/dbraw/zinc/85/30/56/499853056.db2.gz HFLGTJIRBRMVNF-SIKLNZKXSA-N 1 3 372.484 3.334 20 0 FGADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415080507 499861554 /nfs/dbraw/zinc/86/15/54/499861554.db2.gz LTZCDGRNFXGRPM-PKTZIBPZSA-N 1 3 373.500 3.480 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H](C)C[C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099326 499863295 /nfs/dbraw/zinc/86/32/95/499863295.db2.gz GTCFOVGIDKTONH-WMQCIHAUSA-N 1 3 357.542 3.291 20 0 FGADHO [NH3+]C1(CNCc2ccc3ncccc3c2)CCN(Cc2ccccc2)CC1 ZINC000415125385 499866757 /nfs/dbraw/zinc/86/67/57/499866757.db2.gz DROXIYNQWRYNIA-UHFFFAOYSA-N 1 3 360.505 3.318 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415561116 499902278 /nfs/dbraw/zinc/90/22/78/499902278.db2.gz GHGHVLWURRXYMN-ICSRJNTNSA-N 1 3 358.530 3.177 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000415927586 499929423 /nfs/dbraw/zinc/92/94/23/499929423.db2.gz DDICJOWTAYVFFH-UHFFFAOYSA-N 1 3 366.509 3.366 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415935993 499930418 /nfs/dbraw/zinc/93/04/18/499930418.db2.gz UTIPISIIULLJFF-OXQOHEQNSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000415942218 499931231 /nfs/dbraw/zinc/93/12/31/499931231.db2.gz IRMNUNWPLVADFA-UZLBHIALSA-N 1 3 352.482 3.191 20 0 FGADHO [NH3+]CCOc1ccc(NC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000415944946 499931807 /nfs/dbraw/zinc/93/18/07/499931807.db2.gz KCJZOAKSXYYISR-UHFFFAOYSA-N 1 3 374.529 3.192 20 0 FGADHO CC1CCC(N2CCN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)CC2)CC1 ZINC000415956620 499933209 /nfs/dbraw/zinc/93/32/09/499933209.db2.gz OHUOSEZSZVIYSV-UHFFFAOYSA-N 1 3 374.504 3.200 20 0 FGADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415960917 499933868 /nfs/dbraw/zinc/93/38/68/499933868.db2.gz CNUKUPZGGQMBFZ-LRDDRELGSA-N 1 3 370.419 3.255 20 0 FGADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979488 499936791 /nfs/dbraw/zinc/93/67/91/499936791.db2.gz QXKOBBAIBJYQPS-HXUWFJFHSA-N 1 3 367.497 3.059 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000582243218 506167520 /nfs/dbraw/zinc/16/75/20/506167520.db2.gz FQFAELRTBUXHKM-QGZVFWFLSA-N 1 3 371.550 3.152 20 0 FGADHO CN(CCCN(C)C(=O)CC[N@@H+]1CCc2ccccc2C1)Cc1ccco1 ZINC000416235073 499989559 /nfs/dbraw/zinc/98/95/59/499989559.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 1 3 369.509 3.008 20 0 FGADHO CN(CCCN(C)C(=O)CC[N@H+]1CCc2ccccc2C1)Cc1ccco1 ZINC000416235073 499989566 /nfs/dbraw/zinc/98/95/66/499989566.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 1 3 369.509 3.008 20 0 FGADHO CC(C)CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000429047288 499995297 /nfs/dbraw/zinc/99/52/97/499995297.db2.gz PKBHFQFOHSEXOW-UHFFFAOYSA-N 1 3 359.558 3.383 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624264 500006274 /nfs/dbraw/zinc/00/62/74/500006274.db2.gz JHTGGKIOHBIURA-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624264 500006277 /nfs/dbraw/zinc/00/62/77/500006277.db2.gz JHTGGKIOHBIURA-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417381097 500054276 /nfs/dbraw/zinc/05/42/76/500054276.db2.gz ICBKEICIODECRG-VQIMIIECSA-N 1 3 351.485 3.011 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399397 500061504 /nfs/dbraw/zinc/06/15/04/500061504.db2.gz ZMZFDIBFPWYAQZ-VNTMZGSJSA-N 1 3 363.496 3.359 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399397 500061507 /nfs/dbraw/zinc/06/15/07/500061507.db2.gz ZMZFDIBFPWYAQZ-VNTMZGSJSA-N 1 3 363.496 3.359 20 0 FGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416486 500074048 /nfs/dbraw/zinc/07/40/48/500074048.db2.gz DBDUHJYDWJJWEF-FXAWDEMLSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CCN(c3cccnn3)CC2)CC1 ZINC000429416486 500074051 /nfs/dbraw/zinc/07/40/51/500074051.db2.gz DBDUHJYDWJJWEF-FXAWDEMLSA-N 1 3 357.546 3.078 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698914 500126045 /nfs/dbraw/zinc/12/60/45/500126045.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698914 500126047 /nfs/dbraw/zinc/12/60/47/500126047.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698916 500126379 /nfs/dbraw/zinc/12/63/79/500126379.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698916 500126380 /nfs/dbraw/zinc/12/63/80/500126380.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 1 3 359.558 3.084 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000416848135 500137857 /nfs/dbraw/zinc/13/78/57/500137857.db2.gz WMPPDGGKCZTTBR-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675619 500146088 /nfs/dbraw/zinc/14/60/88/500146088.db2.gz CDTOVFIJIQTUEU-SOAGJPPSSA-N 1 3 372.557 3.029 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830972 500161132 /nfs/dbraw/zinc/16/11/32/500161132.db2.gz CEKCZQKPKNWRHZ-PWRODBHTSA-N 1 3 364.505 3.499 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842368 500162689 /nfs/dbraw/zinc/16/26/89/500162689.db2.gz KVBNPGIQIBOOAE-NJDAHSKKSA-N 1 3 362.489 3.253 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828969 500179671 /nfs/dbraw/zinc/17/96/71/500179671.db2.gz QVXNVHONTSTBEM-DUXKGJEZSA-N 1 3 372.557 3.104 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837486 500181212 /nfs/dbraw/zinc/18/12/12/500181212.db2.gz MKWAUYMQIVSMSR-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463571 506181075 /nfs/dbraw/zinc/18/10/75/506181075.db2.gz ZXKCJLAYUOQHHF-AZUAARDMSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463571 506181078 /nfs/dbraw/zinc/18/10/78/506181078.db2.gz ZXKCJLAYUOQHHF-AZUAARDMSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463571 506181082 /nfs/dbraw/zinc/18/10/82/506181082.db2.gz ZXKCJLAYUOQHHF-AZUAARDMSA-N 1 3 368.949 3.175 20 0 FGADHO c1c(CNCC2CCN(c3ccccc3)CC2)onc1C1CC[NH2+]CC1 ZINC000425895570 500208966 /nfs/dbraw/zinc/20/89/66/500208966.db2.gz JUSGXTCTBSZLHS-UHFFFAOYSA-N 1 3 354.498 3.148 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417988162 500209908 /nfs/dbraw/zinc/20/99/08/500209908.db2.gz RSYKHIGWVMBLIM-NQIIRXRSSA-N 1 3 368.525 3.286 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418002371 500212218 /nfs/dbraw/zinc/21/22/18/500212218.db2.gz XONXCYYZNHJNMU-YRISNDGFSA-N 1 3 372.557 3.201 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418002371 500212221 /nfs/dbraw/zinc/21/22/21/500212221.db2.gz XONXCYYZNHJNMU-YRISNDGFSA-N 1 3 372.557 3.201 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000418035357 500217903 /nfs/dbraw/zinc/21/79/03/500217903.db2.gz AIWOALXENFQUEU-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418153812 500238150 /nfs/dbraw/zinc/23/81/50/500238150.db2.gz JGQHCTYEAZPXEG-ZCNNSNEGSA-N 1 3 372.557 3.104 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000418173148 500242294 /nfs/dbraw/zinc/24/22/94/500242294.db2.gz QCFRHDABWBAQCS-UHFFFAOYSA-N 1 3 364.578 3.064 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174863 500242999 /nfs/dbraw/zinc/24/29/99/500242999.db2.gz FHIUSKUVSNDGET-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000418182729 500244501 /nfs/dbraw/zinc/24/45/01/500244501.db2.gz NHFNNAAYEJTZQD-XLIONFOSSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000418188908 500245841 /nfs/dbraw/zinc/24/58/41/500245841.db2.gz UWOUUEFNIZOYGQ-DBVUQKKJSA-N 1 3 372.557 3.097 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)N(C)C ZINC000418189803 500245947 /nfs/dbraw/zinc/24/59/47/500245947.db2.gz VSUILIYSEXQCRO-WJMWBRGCSA-N 1 3 372.557 3.242 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193365 500246786 /nfs/dbraw/zinc/24/67/86/500246786.db2.gz ZLXPFGAQKXAYRJ-FHLIZLRMSA-N 1 3 366.937 3.150 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192322 500246873 /nfs/dbraw/zinc/24/68/73/500246873.db2.gz YKJIOCBNUKERQJ-JCGIZDLHSA-N 1 3 366.937 3.020 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)N(CC)CC)cc1 ZINC000418223748 500251963 /nfs/dbraw/zinc/25/19/63/500251963.db2.gz YZLLRCORUTZWBW-VDGAXYAQSA-N 1 3 360.546 3.011 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601408 500261086 /nfs/dbraw/zinc/26/10/86/500261086.db2.gz TZWUSUISPVSBRL-MDKPJZGXSA-N 1 3 371.550 3.403 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319210 506185774 /nfs/dbraw/zinc/18/57/74/506185774.db2.gz JREHDZFXAJIVEK-UYAOXDASSA-N 1 3 360.546 3.067 20 0 FGADHO CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418343891 500265161 /nfs/dbraw/zinc/26/51/61/500265161.db2.gz RKKFDYPMJTXRBP-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO NC[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394087 500271332 /nfs/dbraw/zinc/27/13/32/500271332.db2.gz XJZFRLFFJXIWIM-WOJBJXKFSA-N 1 3 354.498 3.046 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000418458968 500279593 /nfs/dbraw/zinc/27/95/93/500279593.db2.gz IGXRWBXCNOGFAH-OHTSDLOESA-N 1 3 358.530 3.112 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619443 500282087 /nfs/dbraw/zinc/28/20/87/500282087.db2.gz NHOUHLVCPYUZMJ-MRXNPFEDSA-N 1 3 354.926 3.150 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000418485925 500282639 /nfs/dbraw/zinc/28/26/39/500282639.db2.gz HTUWEYCVIBNKDJ-OAHLLOKOSA-N 1 3 360.527 3.041 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCN1 ZINC000422710569 500287976 /nfs/dbraw/zinc/28/79/76/500287976.db2.gz LLXHNFONICJZLE-JLJPHGGASA-N 1 3 352.320 3.148 20 0 FGADHO CSc1nnc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725980 500290110 /nfs/dbraw/zinc/29/01/10/500290110.db2.gz CWYNTAVMMQYAKV-DLBZAZTESA-N 1 3 359.543 3.323 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720100 500290179 /nfs/dbraw/zinc/29/01/79/500290179.db2.gz ZNWYTFLHGJCIBJ-UNEWFSDZSA-N 1 3 352.320 3.006 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)N(C)C ZINC000422743662 500293195 /nfs/dbraw/zinc/29/31/95/500293195.db2.gz IVWUZIKTIQKKRH-NRSPTQNISA-N 1 3 353.510 3.381 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422752469 500294049 /nfs/dbraw/zinc/29/40/49/500294049.db2.gz HDICBXCKBTZEBD-AOMKIAJQSA-N 1 3 368.525 3.345 20 0 FGADHO COc1cccc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422759300 500294463 /nfs/dbraw/zinc/29/44/63/500294463.db2.gz KRUFVTTZXRBZBA-JLMWRMLUSA-N 1 3 353.510 3.212 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762550 500295207 /nfs/dbraw/zinc/29/52/07/500295207.db2.gz NXTNDNOBQBAMKY-YOEHRIQHSA-N 1 3 356.432 3.471 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418602540 500296033 /nfs/dbraw/zinc/29/60/33/500296033.db2.gz VUOBBTZYDYXNML-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418640642 500299109 /nfs/dbraw/zinc/29/91/09/500299109.db2.gz RBYHFKQSQQZVET-OAQYLSRUSA-N 1 3 372.557 3.027 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418640642 500299112 /nfs/dbraw/zinc/29/91/12/500299112.db2.gz RBYHFKQSQQZVET-OAQYLSRUSA-N 1 3 372.557 3.027 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418656956 500302397 /nfs/dbraw/zinc/30/23/97/500302397.db2.gz TVWLVIYMHFHUFO-PMACEKPBSA-N 1 3 354.498 3.028 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840471 500303802 /nfs/dbraw/zinc/30/38/02/500303802.db2.gz SYHGLNMDXBSXHA-WBVHZDCISA-N 1 3 358.555 3.473 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847085 500305357 /nfs/dbraw/zinc/30/53/57/500305357.db2.gz QZYARHXGNYIEQZ-CZUORRHYSA-N 1 3 366.502 3.274 20 0 FGADHO CC[C@H]([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418706106 500310256 /nfs/dbraw/zinc/31/02/56/500310256.db2.gz FCKCFTVVBBIQNA-VQTJNVASSA-N 1 3 372.557 3.056 20 0 FGADHO c1ccc2cc(OCCCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422883921 500310402 /nfs/dbraw/zinc/31/04/02/500310402.db2.gz DGVOQNRIIHYSRO-FDFHNCONSA-N 1 3 354.494 3.355 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898331 500313300 /nfs/dbraw/zinc/31/33/00/500313300.db2.gz DSWBKWMJTKVGBC-RRCSTGOVSA-N 1 3 373.324 3.243 20 0 FGADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903405 500313621 /nfs/dbraw/zinc/31/36/21/500313621.db2.gz OMRMMGSABLHUPM-TWHAJKEOSA-N 1 3 371.569 3.308 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900423 500314046 /nfs/dbraw/zinc/31/40/46/500314046.db2.gz QKSXYHSJJXQKRT-IIDMSEBBSA-N 1 3 366.347 3.253 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906771 500314475 /nfs/dbraw/zinc/31/44/75/500314475.db2.gz KIORKMYJESBENT-DKSSEZFCSA-N 1 3 353.913 3.421 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947424 500321895 /nfs/dbraw/zinc/32/18/95/500321895.db2.gz PZUVNBVDPJFRNI-HLSZOSTASA-N 1 3 371.569 3.306 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949421 500322315 /nfs/dbraw/zinc/32/23/15/500322315.db2.gz UEBGDZLRWBVGOM-LBPRGKRZSA-N 1 3 364.287 3.341 20 0 FGADHO OCC1CCN(Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422984166 500327340 /nfs/dbraw/zinc/32/73/40/500327340.db2.gz XFHKTSNMBQLAKE-YPAWHYETSA-N 1 3 357.542 3.224 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988335 500327927 /nfs/dbraw/zinc/32/79/27/500327927.db2.gz ISSCKTPWAROFEB-QNDJGXFYSA-N 1 3 370.459 3.367 20 0 FGADHO COc1cccc(COCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999988 500329299 /nfs/dbraw/zinc/32/92/99/500329299.db2.gz GKLMCESXCCDTMK-UNMCSNQZSA-N 1 3 368.477 3.057 20 0 FGADHO Clc1ccc(COCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026799 500332240 /nfs/dbraw/zinc/33/22/40/500332240.db2.gz OEKBXGMQYAQKMA-CGTJXYLNSA-N 1 3 373.324 3.257 20 0 FGADHO Clc1ccc(COCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026800 500332700 /nfs/dbraw/zinc/33/27/00/500332700.db2.gz OEKBXGMQYAQKMA-KBAYOESNSA-N 1 3 373.324 3.257 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423035483 500333797 /nfs/dbraw/zinc/33/37/97/500333797.db2.gz RNAXUCCYECTSDZ-GOEBONIOSA-N 1 3 355.320 3.497 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035660 500333961 /nfs/dbraw/zinc/33/39/61/500333961.db2.gz SFYZKYHIRRCAGS-DNVCBOLYSA-N 1 3 368.456 3.356 20 0 FGADHO Fc1cc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047408 500334980 /nfs/dbraw/zinc/33/49/80/500334980.db2.gz VEEYHYFZOMAXHI-YLJYHZDGSA-N 1 3 362.395 3.492 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076708 500339571 /nfs/dbraw/zinc/33/95/71/500339571.db2.gz RTCXINMEZZZMET-FVQBIDKESA-N 1 3 358.448 3.155 20 0 FGADHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087751 500340633 /nfs/dbraw/zinc/34/06/33/500340633.db2.gz QGJBDAWMBAODSX-YXYCDRMUSA-N 1 3 359.480 3.302 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423110780 500343890 /nfs/dbraw/zinc/34/38/90/500343890.db2.gz VVQJWASTPUOALA-OXQOHEQNSA-N 1 3 373.928 3.225 20 0 FGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423151443 500348531 /nfs/dbraw/zinc/34/85/31/500348531.db2.gz DFABDDIFTGEGAI-SZMVWBNQSA-N 1 3 369.347 3.158 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000423151569 500348770 /nfs/dbraw/zinc/34/87/70/500348770.db2.gz CRQNZPGCMTWNCM-KBPBESRZSA-N 1 3 373.497 3.156 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162967 500349659 /nfs/dbraw/zinc/34/96/59/500349659.db2.gz LXYNMOWWSOGCTE-LSWJPFSZSA-N 1 3 366.505 3.052 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173869 500351456 /nfs/dbraw/zinc/35/14/56/500351456.db2.gz AKGBOERMPIMKHV-MAUKXSAKSA-N 1 3 366.347 3.131 20 0 FGADHO Cc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242980 500357885 /nfs/dbraw/zinc/35/78/85/500357885.db2.gz FYRKWSQBTFVOOP-UTKZUKDTSA-N 1 3 372.534 3.077 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419378550 500359527 /nfs/dbraw/zinc/35/95/27/500359527.db2.gz VUNAFDSGINCCRM-YDZRNGNQSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419378550 500359529 /nfs/dbraw/zinc/35/95/29/500359529.db2.gz VUNAFDSGINCCRM-YDZRNGNQSA-N 1 3 357.542 3.132 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccsc1 ZINC000423325741 500364635 /nfs/dbraw/zinc/36/46/35/500364635.db2.gz LLYFJWDKRWONML-LJQANCHMSA-N 1 3 359.539 3.323 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 ZINC000423357763 500366746 /nfs/dbraw/zinc/36/67/46/500366746.db2.gz APRKJEMTZIHYOZ-OAHLLOKOSA-N 1 3 352.482 3.465 20 0 FGADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371063 500368369 /nfs/dbraw/zinc/36/83/69/500368369.db2.gz AGFVZXIGHUNLIO-PWSUYJOCSA-N 1 3 355.857 3.278 20 0 FGADHO C[C@H]1C[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384164 500368913 /nfs/dbraw/zinc/36/89/13/500368913.db2.gz JXTDRPXPUKBSFT-CYZMBNFOSA-N 1 3 365.490 3.099 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393614 500369568 /nfs/dbraw/zinc/36/95/68/500369568.db2.gz QQLSKCYMUYOYKU-HNNXBMFYSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423393614 500369570 /nfs/dbraw/zinc/36/95/70/500369570.db2.gz QQLSKCYMUYOYKU-HNNXBMFYSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387643 500369696 /nfs/dbraw/zinc/36/96/96/500369696.db2.gz SSKABVRWLWIXHG-WWMYMODYSA-N 1 3 351.494 3.489 20 0 FGADHO Cc1cc2c(cc1C)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397161 500370137 /nfs/dbraw/zinc/37/01/37/500370137.db2.gz UKAFAEVNYCVDFX-NVXWUHKLSA-N 1 3 373.488 3.266 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403719 500371145 /nfs/dbraw/zinc/37/11/45/500371145.db2.gz ZKNDVUBIQUKUAD-RDTXWAMCSA-N 1 3 351.416 3.327 20 0 FGADHO COCC1(CN[C@H](C)c2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000423409576 500371714 /nfs/dbraw/zinc/37/17/14/500371714.db2.gz QMTIXVCDOZRRLY-GFCCVEGCSA-N 1 3 359.283 3.255 20 0 FGADHO Cc1c([C@H](C)N[C@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455304 500375854 /nfs/dbraw/zinc/37/58/54/500375854.db2.gz MJLZLNXCZXIMLT-NEPJUHHUSA-N 1 3 366.307 3.116 20 0 FGADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1 ZINC000423533025 500382994 /nfs/dbraw/zinc/38/29/94/500382994.db2.gz WJWUGRUXLCWQOZ-HMSUTVNQSA-N 1 3 371.525 3.156 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423533766 500383428 /nfs/dbraw/zinc/38/34/28/500383428.db2.gz YLXXPXHQKYJACQ-LHIJNNFOSA-N 1 3 358.526 3.378 20 0 FGADHO COc1ccc(C[C@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533766 500383432 /nfs/dbraw/zinc/38/34/32/500383432.db2.gz YLXXPXHQKYJACQ-LHIJNNFOSA-N 1 3 358.526 3.378 20 0 FGADHO COc1ccc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000423544036 500383791 /nfs/dbraw/zinc/38/37/91/500383791.db2.gz CDJOVBABHXZZNS-SFHVURJKSA-N 1 3 353.510 3.339 20 0 FGADHO [NH3+]C1(CN[C@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)CC1 ZINC000423578194 500386204 /nfs/dbraw/zinc/38/62/04/500386204.db2.gz UEXJZOKMONDOJU-NRFANRHFSA-N 1 3 353.485 3.396 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000419696433 500390188 /nfs/dbraw/zinc/39/01/88/500390188.db2.gz VEMHSOYASDBARV-MOPGFXCFSA-N 1 3 356.558 3.289 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000423651648 500392305 /nfs/dbraw/zinc/39/23/05/500392305.db2.gz VZWZPTBRGWBCDA-CQSZACIVSA-N 1 3 361.436 3.189 20 0 FGADHO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(CN2CCCCC2)cc1 ZINC000427440805 500393922 /nfs/dbraw/zinc/39/39/22/500393922.db2.gz FJIHUNMAHUPGMO-UHFFFAOYSA-N 1 3 355.526 3.277 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000431618062 500398646 /nfs/dbraw/zinc/39/86/46/500398646.db2.gz PBYVSWMEHLDITD-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775572 500400837 /nfs/dbraw/zinc/40/08/37/500400837.db2.gz MJUPIAKBWXHONP-MSOLQXFVSA-N 1 3 351.494 3.443 20 0 FGADHO C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000423792649 500401892 /nfs/dbraw/zinc/40/18/92/500401892.db2.gz ICHNAGKKWQPYNV-WIYYLYMNSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423897499 500417120 /nfs/dbraw/zinc/41/71/20/500417120.db2.gz OONWWVWYUKDWTB-KKSFZXQISA-N 1 3 367.493 3.282 20 0 FGADHO c1ccc(COc2cncc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320262 500440634 /nfs/dbraw/zinc/44/06/34/500440634.db2.gz BCKQOAJZEKOTFM-SFTDATJTSA-N 1 3 351.494 3.482 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334336 500443378 /nfs/dbraw/zinc/44/33/78/500443378.db2.gz GFVDKQUNGKQYOD-RTWAWAEBSA-N 1 3 355.526 3.204 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340611 500445105 /nfs/dbraw/zinc/44/51/05/500445105.db2.gz MVXISEXFIQOIQH-FIKGOQFSSA-N 1 3 357.542 3.279 20 0 FGADHO CCC[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344271 500445596 /nfs/dbraw/zinc/44/55/96/500445596.db2.gz SJOISRKNTJAWFA-NRDMVMEKSA-N 1 3 357.542 3.354 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391026 500454370 /nfs/dbraw/zinc/45/43/70/500454370.db2.gz NRQMOIFLTKRXFI-WMZOPIPTSA-N 1 3 367.331 3.476 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406924 500456552 /nfs/dbraw/zinc/45/65/52/500456552.db2.gz UUOBUYUUUYFADX-WMLDXEAASA-N 1 3 369.431 3.498 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000420421870 500458432 /nfs/dbraw/zinc/45/84/32/500458432.db2.gz YWZPXUZYSFAXHG-NQSCKRDGSA-N 1 3 354.494 3.495 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065477 500464528 /nfs/dbraw/zinc/46/45/28/500464528.db2.gz FNHBHPWABVPQBU-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065477 500464529 /nfs/dbraw/zinc/46/45/29/500464529.db2.gz FNHBHPWABVPQBU-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CC2(CN1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287029 500481918 /nfs/dbraw/zinc/48/19/18/500481918.db2.gz IFDGZFLLFPDBCT-DYVFJYSZSA-N 1 3 365.880 3.048 20 0 FGADHO COc1ccc(Br)cc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292891 500482745 /nfs/dbraw/zinc/48/27/45/500482745.db2.gz OPGXMEQYTPJRKH-ZDUSSCGKSA-N 1 3 353.304 3.422 20 0 FGADHO C[C@H]1C[C@H](NCCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612823 506198999 /nfs/dbraw/zinc/19/89/99/506198999.db2.gz OZWMWIIFVDYIDS-PKOBYXMFSA-N 1 3 368.477 3.437 20 0 FGADHO C[C@H]1C[C@H](NCCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612823 506199001 /nfs/dbraw/zinc/19/90/01/506199001.db2.gz OZWMWIIFVDYIDS-PKOBYXMFSA-N 1 3 368.477 3.437 20 0 FGADHO COc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(C)C ZINC000573460413 506199315 /nfs/dbraw/zinc/19/93/15/506199315.db2.gz FHJKLOJOYQLNSR-AZUAARDMSA-N 1 3 362.514 3.201 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC000420782090 500499788 /nfs/dbraw/zinc/49/97/88/500499788.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC000420782090 500499789 /nfs/dbraw/zinc/49/97/89/500499789.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000432781779 500562777 /nfs/dbraw/zinc/56/27/77/500562777.db2.gz PTMPCTVGGPFARD-OALUTQOASA-N 1 3 371.569 3.444 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(C)C)C2)CC1 ZINC000432790286 500564148 /nfs/dbraw/zinc/56/41/48/500564148.db2.gz BSGXOQINXNHJDA-HXUWFJFHSA-N 1 3 371.569 3.444 20 0 FGADHO OCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC2(CCC2)C1 ZINC000433057155 500615466 /nfs/dbraw/zinc/61/54/66/500615466.db2.gz GEBXHJNSBSQFAS-QHAWAJNXSA-N 1 3 354.538 3.429 20 0 FGADHO C[C@@H](NCc1cccc(N2CCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000442802075 500627695 /nfs/dbraw/zinc/62/76/95/500627695.db2.gz QKRWREIZMPZYTM-QGZVFWFLSA-N 1 3 367.493 3.215 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864661 500636230 /nfs/dbraw/zinc/63/62/30/500636230.db2.gz DHCKWAZZGWQAAC-QGZVFWFLSA-N 1 3 351.922 3.169 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442867175 500636489 /nfs/dbraw/zinc/63/64/89/500636489.db2.gz KNOPCGSSMFFVOU-OAHLLOKOSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065392 500672114 /nfs/dbraw/zinc/67/21/14/500672114.db2.gz ZTCAESYMLNGOLY-BZSNNMDCSA-N 1 3 353.510 3.466 20 0 FGADHO CN(C)[C@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000433365203 500681783 /nfs/dbraw/zinc/68/17/83/500681783.db2.gz LTQMOJFOIJOHPL-OAQYLSRUSA-N 1 3 357.542 3.450 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835649 500703741 /nfs/dbraw/zinc/70/37/41/500703741.db2.gz BFKWOFQMORXFLX-LJQANCHMSA-N 1 3 373.541 3.154 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835649 500703742 /nfs/dbraw/zinc/70/37/42/500703742.db2.gz BFKWOFQMORXFLX-LJQANCHMSA-N 1 3 373.541 3.154 20 0 FGADHO CN1CCN(CCNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000433606148 500720110 /nfs/dbraw/zinc/72/01/10/500720110.db2.gz FQAHLJMSVWSQHA-UHFFFAOYSA-N 1 3 362.477 3.108 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189676 500808727 /nfs/dbraw/zinc/80/87/27/500808727.db2.gz OFSMSPGCJFIHLZ-WMZOPIPTSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189676 500808731 /nfs/dbraw/zinc/80/87/31/500808731.db2.gz OFSMSPGCJFIHLZ-WMZOPIPTSA-N 1 3 363.571 3.043 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660296 506219325 /nfs/dbraw/zinc/21/93/25/506219325.db2.gz DVQKBLGEIRCFQL-XQBPLPMBSA-N 1 3 371.569 3.128 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660296 506219329 /nfs/dbraw/zinc/21/93/29/506219329.db2.gz DVQKBLGEIRCFQL-XQBPLPMBSA-N 1 3 371.569 3.128 20 0 FGADHO COc1ccc(-n2cc(CN3CCC(CCC[NH+](C)C)CC3)cn2)cc1 ZINC000449026346 500902187 /nfs/dbraw/zinc/90/21/87/500902187.db2.gz FMRRGPVLAULZII-UHFFFAOYSA-N 1 3 356.514 3.435 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn3c(n2)CCCC3)CC1 ZINC000449071291 500917017 /nfs/dbraw/zinc/91/70/17/500917017.db2.gz ARHWXOZKACCCSZ-LJQANCHMSA-N 1 3 366.553 3.447 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000449070666 500917345 /nfs/dbraw/zinc/91/73/45/500917345.db2.gz DODTWSAWJJURJU-QGZVFWFLSA-N 1 3 366.509 3.362 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000449090673 500922728 /nfs/dbraw/zinc/92/27/28/500922728.db2.gz ODMZWSKZILFMCY-SOLBZPMBSA-N 1 3 350.503 3.071 20 0 FGADHO CCn1nnc(C)c1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000449124547 500930809 /nfs/dbraw/zinc/93/08/09/500930809.db2.gz PKIRMLJPWSJFFC-UHFFFAOYSA-N 1 3 369.557 3.431 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000449174877 500940821 /nfs/dbraw/zinc/94/08/21/500940821.db2.gz NKPIMKISAMDIRB-IBGZPJMESA-N 1 3 360.546 3.180 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@]2(N(C)C)CCSC2)CC1 ZINC000449174965 500941070 /nfs/dbraw/zinc/94/10/70/500941070.db2.gz JGNRIQPBJBZKLB-GHTZIAJQSA-N 1 3 361.599 3.109 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204777 500947538 /nfs/dbraw/zinc/94/75/38/500947538.db2.gz JNNJRZWYZCSLLW-WZONZLPQSA-N 1 3 370.512 3.414 20 0 FGADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000449222665 500951955 /nfs/dbraw/zinc/95/19/55/500951955.db2.gz IHAGRLGARIYGJD-UHFFFAOYSA-N 1 3 357.523 3.172 20 0 FGADHO C[NH2+]CC1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435370314 500961167 /nfs/dbraw/zinc/96/11/67/500961167.db2.gz OJBNOYUYYCZCAW-UHFFFAOYSA-N 1 3 361.493 3.366 20 0 FGADHO C[C@@H]([NH3+])C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435375332 500962410 /nfs/dbraw/zinc/96/24/10/500962410.db2.gz MAFRJWHBJIWGIL-QGZVFWFLSA-N 1 3 361.493 3.494 20 0 FGADHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391629 500966870 /nfs/dbraw/zinc/96/68/70/500966870.db2.gz SXBFZXYHVKFDMY-CEWLAPEOSA-N 1 3 351.494 3.447 20 0 FGADHO COc1cccc2c(C[NH+]3CCC(CN4CCN(C)CC4)CC3)cccc12 ZINC000449325958 500977782 /nfs/dbraw/zinc/97/77/82/500977782.db2.gz QVQJYHRWHDGBSV-UHFFFAOYSA-N 1 3 367.537 3.308 20 0 FGADHO C[NH+](C)CCCC(C)(C)NCc1cn2ccc(Br)cc2n1 ZINC000449528575 501026570 /nfs/dbraw/zinc/02/65/70/501026570.db2.gz QJKCVWLGUGVQBR-UHFFFAOYSA-N 1 3 353.308 3.307 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000440924604 501064320 /nfs/dbraw/zinc/06/43/20/501064320.db2.gz OHBGMQSRPKXDHD-LJQANCHMSA-N 1 3 364.578 3.064 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000440924604 501064323 /nfs/dbraw/zinc/06/43/23/501064323.db2.gz OHBGMQSRPKXDHD-LJQANCHMSA-N 1 3 364.578 3.064 20 0 FGADHO CC1(C)CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446068419 501069262 /nfs/dbraw/zinc/06/92/62/501069262.db2.gz CODGAQHCRLXWRA-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000450715822 501192853 /nfs/dbraw/zinc/19/28/53/501192853.db2.gz XQDPNFHCDUHACA-NRFANRHFSA-N 1 3 351.579 3.074 20 0 FGADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CCCN2CCOCC2)CC1 ZINC000450715822 501192855 /nfs/dbraw/zinc/19/28/55/501192855.db2.gz XQDPNFHCDUHACA-NRFANRHFSA-N 1 3 351.579 3.074 20 0 FGADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CCCN2CCOCC2)CC1 ZINC000450715822 501192857 /nfs/dbraw/zinc/19/28/57/501192857.db2.gz XQDPNFHCDUHACA-NRFANRHFSA-N 1 3 351.579 3.074 20 0 FGADHO COc1cc(C[N@@H+]2CC[C@H](Nc3ccnc4ccccc43)C2)cc(OC)c1 ZINC000447058884 501198429 /nfs/dbraw/zinc/19/84/29/501198429.db2.gz JQMUECTZJGKVRW-KRWDZBQOSA-N 1 3 363.461 3.360 20 0 FGADHO COc1cc(C[N@H+]2CC[C@H](Nc3ccnc4ccccc43)C2)cc(OC)c1 ZINC000447058884 501198431 /nfs/dbraw/zinc/19/84/31/501198431.db2.gz JQMUECTZJGKVRW-KRWDZBQOSA-N 1 3 363.461 3.360 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451179114 501250280 /nfs/dbraw/zinc/25/02/80/501250280.db2.gz CKWOTIGVTWGVID-LVCYWYKZSA-N 1 3 357.542 3.242 20 0 FGADHO COC1([C@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000453080188 501264601 /nfs/dbraw/zinc/26/46/01/501264601.db2.gz DSPJSFGJVPIZKM-INIZCTEOSA-N 1 3 352.544 3.134 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087044 501266000 /nfs/dbraw/zinc/26/60/00/501266000.db2.gz VHNXDPRYCARPBN-WJMWBRGCSA-N 1 3 357.542 3.324 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087044 501266002 /nfs/dbraw/zinc/26/60/02/501266002.db2.gz VHNXDPRYCARPBN-WJMWBRGCSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(OCCN(C)C)cc1 ZINC000453248372 501298643 /nfs/dbraw/zinc/29/86/43/501298643.db2.gz PNGIZAGPLMSMKL-OXQOHEQNSA-N 1 3 360.473 3.020 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000457821075 501316678 /nfs/dbraw/zinc/31/66/78/501316678.db2.gz WALWUGZSIBQWRI-UHFFFAOYSA-N 1 3 374.573 3.243 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327715 /nfs/dbraw/zinc/32/77/15/501327715.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327716 /nfs/dbraw/zinc/32/77/16/501327716.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327719 /nfs/dbraw/zinc/32/77/19/501327719.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327721 /nfs/dbraw/zinc/32/77/21/501327721.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453464876 501339127 /nfs/dbraw/zinc/33/91/27/501339127.db2.gz XWVQURCCYCWYSU-RDJZCZTQSA-N 1 3 370.497 3.008 20 0 FGADHO Cc1cc(Br)c(CNCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000453576541 501352231 /nfs/dbraw/zinc/35/22/31/501352231.db2.gz VQQYHSZEAHVINC-UHFFFAOYSA-N 1 3 361.349 3.144 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(N4CC=CC4)CC3)ccc21 ZINC000455928988 501418595 /nfs/dbraw/zinc/41/85/95/501418595.db2.gz NZDSIRMZGORVML-FQEVSTJZSA-N 1 3 354.498 3.104 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000458431949 501443417 /nfs/dbraw/zinc/44/34/17/501443417.db2.gz YFLAXARFSMEGDI-QGZVFWFLSA-N 1 3 368.591 3.188 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454238 /nfs/dbraw/zinc/45/42/38/501454238.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 1 3 357.542 3.475 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454240 /nfs/dbraw/zinc/45/42/40/501454240.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 1 3 357.542 3.475 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000454241694 501489996 /nfs/dbraw/zinc/48/99/96/501489996.db2.gz RWDZPZDTDYOAFC-NRFANRHFSA-N 1 3 372.557 3.389 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665699 501502506 /nfs/dbraw/zinc/50/25/06/501502506.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665699 501502508 /nfs/dbraw/zinc/50/25/08/501502508.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 1 3 372.557 3.021 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](CC(C)(C)C)C3)CC2)CC1 ZINC000454451264 501548344 /nfs/dbraw/zinc/54/83/44/501548344.db2.gz IWOQQHZVVBTOFR-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000458971461 501568548 /nfs/dbraw/zinc/56/85/48/501568548.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000458971461 501568550 /nfs/dbraw/zinc/56/85/50/501568550.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459122419 501597798 /nfs/dbraw/zinc/59/77/98/501597798.db2.gz ZPRAJRJCCSAJPV-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133040 501600631 /nfs/dbraw/zinc/60/06/31/501600631.db2.gz BZFPVVSMSONRRZ-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133040 501600633 /nfs/dbraw/zinc/60/06/33/501600633.db2.gz BZFPVVSMSONRRZ-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)OC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017197 501602169 /nfs/dbraw/zinc/60/21/69/501602169.db2.gz MSKUJJQPIKZQAF-FGZHOGPDSA-N 1 3 374.569 3.395 20 0 FGADHO CC(C)OC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017197 501602171 /nfs/dbraw/zinc/60/21/71/501602171.db2.gz MSKUJJQPIKZQAF-FGZHOGPDSA-N 1 3 374.569 3.395 20 0 FGADHO CCOCC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030709 501604632 /nfs/dbraw/zinc/60/46/32/501604632.db2.gz YQSDJPKJJIMTES-FCHUYYIVSA-N 1 3 374.569 3.397 20 0 FGADHO CCOCC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030709 501604633 /nfs/dbraw/zinc/60/46/33/501604633.db2.gz YQSDJPKJJIMTES-FCHUYYIVSA-N 1 3 374.569 3.397 20 0 FGADHO c1ncn(CC[N@@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)n1 ZINC000459529636 501670541 /nfs/dbraw/zinc/67/05/41/501670541.db2.gz SBGTVCFPTZSLFJ-QFIPXVFZSA-N 1 3 367.541 3.435 20 0 FGADHO c1ncn(CC[N@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)n1 ZINC000459529636 501670542 /nfs/dbraw/zinc/67/05/42/501670542.db2.gz SBGTVCFPTZSLFJ-QFIPXVFZSA-N 1 3 367.541 3.435 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678638 501697957 /nfs/dbraw/zinc/69/79/57/501697957.db2.gz RWQOOYXNWMQSDB-LEWJYISDSA-N 1 3 357.542 3.244 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000457538170 501718699 /nfs/dbraw/zinc/71/86/99/501718699.db2.gz WZYAAYMBNHSDSJ-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855714 501810203 /nfs/dbraw/zinc/81/02/03/501810203.db2.gz ILOXKDNQNWYRDC-HKUYNNGSSA-N 1 3 367.493 3.083 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCN(C)CC1 ZINC000481921506 501919235 /nfs/dbraw/zinc/91/92/35/501919235.db2.gz HEKZZTJTOURKPQ-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000474729808 501935716 /nfs/dbraw/zinc/93/57/16/501935716.db2.gz GTVFECFFAAGXTR-PMACEKPBSA-N 1 3 371.569 3.309 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038275 501953898 /nfs/dbraw/zinc/95/38/98/501953898.db2.gz YMOCIQRWXXABOT-UGKGYDQZSA-N 1 3 370.541 3.141 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038275 501953904 /nfs/dbraw/zinc/95/39/04/501953904.db2.gz YMOCIQRWXXABOT-UGKGYDQZSA-N 1 3 370.541 3.141 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000486027831 502023422 /nfs/dbraw/zinc/02/34/22/502023422.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 1 3 357.542 3.087 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000486027831 502023427 /nfs/dbraw/zinc/02/34/27/502023427.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416439 502053912 /nfs/dbraw/zinc/05/39/12/502053912.db2.gz ILFDQWPRKAHHRE-GUDVDZBRSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416439 502053917 /nfs/dbraw/zinc/05/39/17/502053917.db2.gz ILFDQWPRKAHHRE-GUDVDZBRSA-N 1 3 357.542 3.408 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475154172 502083003 /nfs/dbraw/zinc/08/30/03/502083003.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 1 3 360.546 3.023 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475154172 502083009 /nfs/dbraw/zinc/08/30/09/502083009.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 1 3 360.546 3.023 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)CC2 ZINC000482538895 502105369 /nfs/dbraw/zinc/10/53/69/502105369.db2.gz QQQHVYJPIPGYCY-QFIPXVFZSA-N 1 3 354.494 3.455 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479075130 502156097 /nfs/dbraw/zinc/15/60/97/502156097.db2.gz AZJYRDBUCHXBDE-UYAOXDASSA-N 1 3 356.514 3.196 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464965040 502159203 /nfs/dbraw/zinc/15/92/03/502159203.db2.gz UASIDNWLZHKWMN-UGKGYDQZSA-N 1 3 371.569 3.272 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000468739773 502166291 /nfs/dbraw/zinc/16/62/91/502166291.db2.gz SFWMPMYKGMQEFN-UHFFFAOYSA-N 1 3 357.498 3.489 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000468739773 502166295 /nfs/dbraw/zinc/16/62/95/502166295.db2.gz SFWMPMYKGMQEFN-UHFFFAOYSA-N 1 3 357.498 3.489 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000479223101 502197465 /nfs/dbraw/zinc/19/74/65/502197465.db2.gz LFGSRSNJFZPADW-IIBYNOLFSA-N 1 3 369.484 3.210 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000468847865 502203712 /nfs/dbraw/zinc/20/37/12/502203712.db2.gz DTMSCGLXZUQGCM-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482886801 502207793 /nfs/dbraw/zinc/20/77/93/502207793.db2.gz HMPYHJIHBCQREQ-CRAIPNDOSA-N 1 3 372.431 3.255 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472110108 502234869 /nfs/dbraw/zinc/23/48/69/502234869.db2.gz HMEBYFWBMLPWCT-TZIWHRDSSA-N 1 3 372.557 3.339 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462001808 502269514 /nfs/dbraw/zinc/26/95/14/502269514.db2.gz JDEOELMKKHDEHC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462001808 502269520 /nfs/dbraw/zinc/26/95/20/502269520.db2.gz JDEOELMKKHDEHC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462013769 502274073 /nfs/dbraw/zinc/27/40/73/502274073.db2.gz LGDARZUEPOGNGC-SFHVURJKSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462013769 502274078 /nfs/dbraw/zinc/27/40/78/502274078.db2.gz LGDARZUEPOGNGC-SFHVURJKSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550144 502303146 /nfs/dbraw/zinc/30/31/46/502303146.db2.gz WLGCBGKJDIVYOQ-FQEVSTJZSA-N 1 3 374.573 3.022 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550144 502303152 /nfs/dbraw/zinc/30/31/52/502303152.db2.gz WLGCBGKJDIVYOQ-FQEVSTJZSA-N 1 3 374.573 3.022 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000465555469 502307384 /nfs/dbraw/zinc/30/73/84/502307384.db2.gz XKTCWXXKYBJZBL-NQIIRXRSSA-N 1 3 372.557 3.200 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000465581312 502314665 /nfs/dbraw/zinc/31/46/65/502314665.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000465581312 502314670 /nfs/dbraw/zinc/31/46/70/502314670.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475902877 502327310 /nfs/dbraw/zinc/32/73/10/502327310.db2.gz XFPUBIOKFHDENK-SIKLNZKXSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630682 502330971 /nfs/dbraw/zinc/33/09/71/502330971.db2.gz LZKVMKSXTLZTLD-PZJWPPBQSA-N 1 3 374.573 3.238 20 0 FGADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630682 502330979 /nfs/dbraw/zinc/33/09/79/502330979.db2.gz LZKVMKSXTLZTLD-PZJWPPBQSA-N 1 3 374.573 3.238 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653698 502337747 /nfs/dbraw/zinc/33/77/47/502337747.db2.gz FWJRXIHISBQRRT-UYAOXDASSA-N 1 3 360.546 3.114 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653698 502337755 /nfs/dbraw/zinc/33/77/55/502337755.db2.gz FWJRXIHISBQRRT-UYAOXDASSA-N 1 3 360.546 3.114 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)[C@@H](C)C1 ZINC000479876620 502406025 /nfs/dbraw/zinc/40/60/25/502406025.db2.gz UIFWXWCWXOGTPD-UFYCRDLUSA-N 1 3 363.546 3.143 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890955 502416708 /nfs/dbraw/zinc/41/67/08/502416708.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890955 502416713 /nfs/dbraw/zinc/41/67/13/502416713.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000466018552 502455997 /nfs/dbraw/zinc/45/59/97/502455997.db2.gz OQXJAYIPTXZJGU-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000462538511 502480330 /nfs/dbraw/zinc/48/03/30/502480330.db2.gz ZIYFOZRMOPKIHV-MRXNPFEDSA-N 1 3 368.953 3.142 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000462538511 502480333 /nfs/dbraw/zinc/48/03/33/502480333.db2.gz ZIYFOZRMOPKIHV-MRXNPFEDSA-N 1 3 368.953 3.142 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000588711550 506317797 /nfs/dbraw/zinc/31/77/97/506317797.db2.gz QCPXWYDWOGUDOJ-OYRHEFFESA-N 1 3 374.569 3.457 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242328 502514224 /nfs/dbraw/zinc/51/42/24/502514224.db2.gz URQNKFVPIZIUKM-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519510 /nfs/dbraw/zinc/51/95/10/502519510.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@H](C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519515 /nfs/dbraw/zinc/51/95/15/502519515.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761556 502535876 /nfs/dbraw/zinc/53/58/76/502535876.db2.gz UTPPQYKJOREGPA-QZTJIDSGSA-N 1 3 359.558 3.285 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480345076 502543178 /nfs/dbraw/zinc/54/31/78/502543178.db2.gz YQSJSAJXOZLTNX-UHFFFAOYSA-N 1 3 363.452 3.340 20 0 FGADHO CCN(C)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000480364761 502547929 /nfs/dbraw/zinc/54/79/29/502547929.db2.gz ZVIPNFYHJVTBMH-UHFFFAOYSA-N 1 3 368.525 3.302 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894079 502558545 /nfs/dbraw/zinc/55/85/45/502558545.db2.gz HOIJKVKNYJRVDH-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894079 502558550 /nfs/dbraw/zinc/55/85/50/502558550.db2.gz HOIJKVKNYJRVDH-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000480488252 502580509 /nfs/dbraw/zinc/58/05/09/502580509.db2.gz IDJXCOOWJGWSPV-DENIHFKCSA-N 1 3 371.569 3.056 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000480488252 502580512 /nfs/dbraw/zinc/58/05/12/502580512.db2.gz IDJXCOOWJGWSPV-DENIHFKCSA-N 1 3 371.569 3.056 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965683 502582193 /nfs/dbraw/zinc/58/21/93/502582193.db2.gz WWBQYHOVNDEQSF-BMGDILEWSA-N 1 3 351.922 3.037 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965683 502582198 /nfs/dbraw/zinc/58/21/98/502582198.db2.gz WWBQYHOVNDEQSF-BMGDILEWSA-N 1 3 351.922 3.037 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823673 502588875 /nfs/dbraw/zinc/58/88/75/502588875.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823673 502588881 /nfs/dbraw/zinc/58/88/81/502588881.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 1 3 369.553 3.278 20 0 FGADHO O[C@H]1CCN(Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862651 502603510 /nfs/dbraw/zinc/60/35/10/502603510.db2.gz XACSFBZOPNYWFH-QFIPXVFZSA-N 1 3 357.542 3.462 20 0 FGADHO C[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000469960977 502610940 /nfs/dbraw/zinc/61/09/40/502610940.db2.gz DGJYNECZIDLJSW-GOSISDBHSA-N 1 3 374.488 3.497 20 0 FGADHO C[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000469960977 502610946 /nfs/dbraw/zinc/61/09/46/502610946.db2.gz DGJYNECZIDLJSW-GOSISDBHSA-N 1 3 374.488 3.497 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000484433061 502642834 /nfs/dbraw/zinc/64/28/34/502642834.db2.gz AHQUNCVRDNCIEK-PXNSSMCTSA-N 1 3 372.557 3.212 20 0 FGADHO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000463087747 502689919 /nfs/dbraw/zinc/68/99/19/502689919.db2.gz WQPUQGDNLRZVFT-SFHVURJKSA-N 1 3 372.557 3.292 20 0 FGADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258915 502719066 /nfs/dbraw/zinc/71/90/66/502719066.db2.gz UHHDCDRTKQQGIO-ZOBUZTSGSA-N 1 3 374.447 3.056 20 0 FGADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258915 502719069 /nfs/dbraw/zinc/71/90/69/502719069.db2.gz UHHDCDRTKQQGIO-ZOBUZTSGSA-N 1 3 374.447 3.056 20 0 FGADHO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@H]1C ZINC000463336138 502762884 /nfs/dbraw/zinc/76/28/84/502762884.db2.gz QAJYBNSRVAWARA-BRWVUGGUSA-N 1 3 356.514 3.403 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474006902 502777208 /nfs/dbraw/zinc/77/72/08/502777208.db2.gz PWZZXEWDCSUEHZ-JOCHJYFZSA-N 1 3 365.521 3.188 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684641 502858387 /nfs/dbraw/zinc/85/83/87/502858387.db2.gz PYNUMHGFNFIIAJ-NRFANRHFSA-N 1 3 355.526 3.275 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875054 /nfs/dbraw/zinc/87/50/54/502875054.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 1 3 366.594 3.308 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875055 /nfs/dbraw/zinc/87/50/55/502875055.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 1 3 366.594 3.308 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1)C1CC1 ZINC000509329114 502876121 /nfs/dbraw/zinc/87/61/21/502876121.db2.gz WPNCGNKNQFMBDB-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1)C1CC1 ZINC000509329114 502876122 /nfs/dbraw/zinc/87/61/22/502876122.db2.gz WPNCGNKNQFMBDB-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000513384224 502921737 /nfs/dbraw/zinc/92/17/37/502921737.db2.gz NNOGJNBWZDMICE-PZJWPPBQSA-N 1 3 374.573 3.081 20 0 FGADHO CN(CC[S@@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048781 502922223 /nfs/dbraw/zinc/92/22/23/502922223.db2.gz XMUVFYKQUUSJPK-RUZDIDTESA-N 1 3 357.523 3.038 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568561 502937101 /nfs/dbraw/zinc/93/71/01/502937101.db2.gz MITDXJXSMNUFNB-BSDSXHPESA-N 1 3 364.534 3.223 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568561 502937103 /nfs/dbraw/zinc/93/71/03/502937103.db2.gz MITDXJXSMNUFNB-BSDSXHPESA-N 1 3 364.534 3.223 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591699 502943881 /nfs/dbraw/zinc/94/38/81/502943881.db2.gz RABBCQQMMROROT-XDNAFOTISA-N 1 3 364.534 3.081 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591699 502943886 /nfs/dbraw/zinc/94/38/86/502943886.db2.gz RABBCQQMMROROT-XDNAFOTISA-N 1 3 364.534 3.081 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccsc1 ZINC000501154016 502950361 /nfs/dbraw/zinc/95/03/61/502950361.db2.gz LVKNPRPVHVGZNY-QGZVFWFLSA-N 1 3 366.575 3.305 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[C@H]3C[NH+]3CCCCC3)CC2)cc1 ZINC000509673409 502964532 /nfs/dbraw/zinc/96/45/32/502964532.db2.gz OLKHCIXQOGEGMP-QHCPKHFHSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCC[N@@H+]3CCC[C@H]3CN3CCCCC3)CC2)cc1 ZINC000509673409 502964535 /nfs/dbraw/zinc/96/45/35/502964535.db2.gz OLKHCIXQOGEGMP-QHCPKHFHSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCC[N@H+]3CCC[C@H]3CN3CCCCC3)CC2)cc1 ZINC000509673409 502964536 /nfs/dbraw/zinc/96/45/36/502964536.db2.gz OLKHCIXQOGEGMP-QHCPKHFHSA-N 1 3 370.585 3.149 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000505754981 502978976 /nfs/dbraw/zinc/97/89/76/502978976.db2.gz PQCMODLAHALEMM-FXAWDEMLSA-N 1 3 363.521 3.194 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000505754981 502978979 /nfs/dbraw/zinc/97/89/79/502978979.db2.gz PQCMODLAHALEMM-FXAWDEMLSA-N 1 3 363.521 3.194 20 0 FGADHO CN1CCC(N2CCC([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)CC1 ZINC000501379424 502996719 /nfs/dbraw/zinc/99/67/19/502996719.db2.gz XAZDLYKNLMVXLS-RXVVDRJESA-N 1 3 356.558 3.256 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000513691996 503002192 /nfs/dbraw/zinc/00/21/92/503002192.db2.gz XJAPTCOEEOHPTK-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000513691996 503002193 /nfs/dbraw/zinc/00/21/93/503002193.db2.gz XJAPTCOEEOHPTK-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000513691996 503002194 /nfs/dbraw/zinc/00/21/94/503002194.db2.gz XJAPTCOEEOHPTK-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO CC1CCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000501531562 503030854 /nfs/dbraw/zinc/03/08/54/503030854.db2.gz LGNCYGJEHJABGY-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000501545831 503033746 /nfs/dbraw/zinc/03/37/46/503033746.db2.gz LBUPJUDPFNSFNM-YLJYHZDGSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000501545831 503033750 /nfs/dbraw/zinc/03/37/50/503033750.db2.gz LBUPJUDPFNSFNM-YLJYHZDGSA-N 1 3 360.546 3.025 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784564 503033858 /nfs/dbraw/zinc/03/38/58/503033858.db2.gz WOAFWZVKXJHKFE-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000501545376 503034151 /nfs/dbraw/zinc/03/41/51/503034151.db2.gz HFZMABWVCDWDQK-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829815 503044109 /nfs/dbraw/zinc/04/41/09/503044109.db2.gz JPYKCRDKQDXMFY-FPOVZHCZSA-N 1 3 374.573 3.315 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000510405726 503107905 /nfs/dbraw/zinc/10/79/05/503107905.db2.gz GIAPDOSCNHVGCF-HOTGVXAUSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000510405726 503107907 /nfs/dbraw/zinc/10/79/07/503107907.db2.gz GIAPDOSCNHVGCF-HOTGVXAUSA-N 1 3 357.498 3.345 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514221442 503116994 /nfs/dbraw/zinc/11/69/94/503116994.db2.gz HTZHGIOVNRYSNF-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514221442 503116997 /nfs/dbraw/zinc/11/69/97/503116997.db2.gz HTZHGIOVNRYSNF-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)CC(F)F)C1CCCCC1 ZINC000498193949 503127345 /nfs/dbraw/zinc/12/73/45/503127345.db2.gz BZMFXMSYMWOULJ-QGZVFWFLSA-N 1 3 353.457 3.050 20 0 FGADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)CC(F)F)C1CCCCC1 ZINC000498193949 503127347 /nfs/dbraw/zinc/12/73/47/503127347.db2.gz BZMFXMSYMWOULJ-QGZVFWFLSA-N 1 3 353.457 3.050 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393136 503177984 /nfs/dbraw/zinc/17/79/84/503177984.db2.gz XYHKJBZZEDKVQT-WMZOPIPTSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000510741727 503183896 /nfs/dbraw/zinc/18/38/96/503183896.db2.gz PCALGJSEZURHBV-RBUKOAKNSA-N 1 3 369.553 3.096 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000510741727 503183898 /nfs/dbraw/zinc/18/38/98/503183898.db2.gz PCALGJSEZURHBV-RBUKOAKNSA-N 1 3 369.553 3.096 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196096 /nfs/dbraw/zinc/19/60/96/503196096.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196099 /nfs/dbraw/zinc/19/60/99/503196099.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832768 503233434 /nfs/dbraw/zinc/23/34/34/503233434.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832768 503233437 /nfs/dbraw/zinc/23/34/37/503233437.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 1 3 369.553 3.420 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696860 503241220 /nfs/dbraw/zinc/24/12/20/503241220.db2.gz SRTSMMFWQTVMIH-CTNGQTDRSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696860 503241224 /nfs/dbraw/zinc/24/12/24/503241224.db2.gz SRTSMMFWQTVMIH-CTNGQTDRSA-N 1 3 374.573 3.126 20 0 FGADHO Fc1ccc(C(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000491114270 503275159 /nfs/dbraw/zinc/27/51/59/503275159.db2.gz VNGQDXJOZDAIRS-OAQYLSRUSA-N 1 3 371.475 3.076 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837460 503285470 /nfs/dbraw/zinc/28/54/70/503285470.db2.gz ABJKMXFRNYHDRZ-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000502894019 503301214 /nfs/dbraw/zinc/30/12/14/503301214.db2.gz JOPNZJAEQDGUAO-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000502894019 503301217 /nfs/dbraw/zinc/30/12/17/503301217.db2.gz JOPNZJAEQDGUAO-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)c1 ZINC000507460293 503302729 /nfs/dbraw/zinc/30/27/29/503302729.db2.gz HVPKLELOOKWTQU-LEWJYISDSA-N 1 3 359.558 3.302 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899930 503303012 /nfs/dbraw/zinc/30/30/12/503303012.db2.gz QESVJINPIRAVCA-RYQLBKOJSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899930 503303017 /nfs/dbraw/zinc/30/30/17/503303017.db2.gz QESVJINPIRAVCA-RYQLBKOJSA-N 1 3 362.518 3.025 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330123 /nfs/dbraw/zinc/33/01/23/503330123.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330127 /nfs/dbraw/zinc/33/01/27/503330127.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 1 3 372.557 3.023 20 0 FGADHO CC1CC[NH+]([C@H](CNC(=O)N2CCN(C)CC[C@H]2C)c2ccccc2)CC1 ZINC000503055760 503338020 /nfs/dbraw/zinc/33/80/20/503338020.db2.gz PIPAKZCBXKNJJH-TZIWHRDSSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000503086523 503343572 /nfs/dbraw/zinc/34/35/72/503343572.db2.gz UUYJNTBCNBIVGO-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000511644183 503361088 /nfs/dbraw/zinc/36/10/88/503361088.db2.gz NQMIWKPSBLZNDD-UHFFFAOYSA-N 1 3 362.518 3.011 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820014 503406525 /nfs/dbraw/zinc/40/65/25/503406525.db2.gz BJZNIDZHCKRORB-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO CCc1ccc(CCC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000499508010 503421135 /nfs/dbraw/zinc/42/11/35/503421135.db2.gz LOMVCPHXVHBZPM-OAQYLSRUSA-N 1 3 359.558 3.056 20 0 FGADHO CCc1ccc(CCC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000499508010 503421138 /nfs/dbraw/zinc/42/11/38/503421138.db2.gz LOMVCPHXVHBZPM-OAQYLSRUSA-N 1 3 359.558 3.056 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000503525399 503429323 /nfs/dbraw/zinc/42/93/23/503429323.db2.gz DSDHAUFAPFVAML-YADHBBJMSA-N 1 3 359.558 3.130 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118035 503449805 /nfs/dbraw/zinc/44/98/05/503449805.db2.gz RERKWPHWWPGAKG-INIZCTEOSA-N 1 3 362.543 3.251 20 0 FGADHO CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000499660086 503451843 /nfs/dbraw/zinc/45/18/43/503451843.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000499660086 503451848 /nfs/dbraw/zinc/45/18/48/503451848.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 1 3 357.542 3.374 20 0 FGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000493883383 503452558 /nfs/dbraw/zinc/45/25/58/503452558.db2.gz OINILWMQNCDHSH-TZIWHRDSSA-N 1 3 359.558 3.303 20 0 FGADHO CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490489 /nfs/dbraw/zinc/49/04/89/503490489.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 1 3 365.521 3.486 20 0 FGADHO CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490492 /nfs/dbraw/zinc/49/04/92/503490492.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 1 3 365.521 3.486 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000504229808 503541335 /nfs/dbraw/zinc/54/13/35/503541335.db2.gz ZEADMZCGONRQHC-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000516633061 503555886 /nfs/dbraw/zinc/55/58/86/503555886.db2.gz XEQZIAPJXOVREJ-KDOFPFPSSA-N 1 3 356.470 3.176 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000500131614 503561530 /nfs/dbraw/zinc/56/15/30/503561530.db2.gz IRBNMDAKJWQVKN-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C(=C/C[N@@H+]1CCC[C@H](OCC2CC2)C1)\CN1CCC[C@H](OCC2CC2)C1 ZINC000494657466 503586082 /nfs/dbraw/zinc/58/60/82/503586082.db2.gz UATGBYLCOYIEOS-HNSCLNPNSA-N 1 3 362.558 3.325 20 0 FGADHO C(=C/C[N@H+]1CCC[C@H](OCC2CC2)C1)\CN1CCC[C@H](OCC2CC2)C1 ZINC000494657466 503586087 /nfs/dbraw/zinc/58/60/87/503586087.db2.gz UATGBYLCOYIEOS-HNSCLNPNSA-N 1 3 362.558 3.325 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508882798 503587837 /nfs/dbraw/zinc/58/78/37/503587837.db2.gz RHLGQADKOUEIBW-YOUFYPILSA-N 1 3 372.557 3.254 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508882798 503587843 /nfs/dbraw/zinc/58/78/43/503587843.db2.gz RHLGQADKOUEIBW-YOUFYPILSA-N 1 3 372.557 3.254 20 0 FGADHO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901422 503594385 /nfs/dbraw/zinc/59/43/85/503594385.db2.gz YQNARIJNNGBPDG-NQIIRXRSSA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1CC[NH+](C)CC1)N(C)C ZINC000494699078 503595120 /nfs/dbraw/zinc/59/51/20/503595120.db2.gz YVYQEIFSKNCKGI-FXAWDEMLSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)N(C)C ZINC000508902533 503595320 /nfs/dbraw/zinc/59/53/20/503595320.db2.gz WQTRIEKFCQTLBL-HUUJSLGLSA-N 1 3 372.557 3.254 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613473 503595344 /nfs/dbraw/zinc/59/53/44/503595344.db2.gz RUOQMTKDVMHWNU-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613473 503595348 /nfs/dbraw/zinc/59/53/48/503595348.db2.gz RUOQMTKDVMHWNU-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613473 503595353 /nfs/dbraw/zinc/59/53/53/503595353.db2.gz RUOQMTKDVMHWNU-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504770082 503613869 /nfs/dbraw/zinc/61/38/69/503613869.db2.gz KPVHSZUYJFQSQU-UHFFFAOYSA-N 1 3 374.573 3.053 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117934 503674530 /nfs/dbraw/zinc/67/45/30/503674530.db2.gz GTADMUMFTPUELV-QPGLYAHGSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117934 503674538 /nfs/dbraw/zinc/67/45/38/503674538.db2.gz GTADMUMFTPUELV-QPGLYAHGSA-N 1 3 361.505 3.104 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541700 503767426 /nfs/dbraw/zinc/76/74/26/503767426.db2.gz QOOUNNPAJXJRMB-AZUAARDMSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)COc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000540504449 503795474 /nfs/dbraw/zinc/79/54/74/503795474.db2.gz FUYRPEAYDPEPRQ-UGKGYDQZSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000540504449 503795483 /nfs/dbraw/zinc/79/54/83/503795483.db2.gz FUYRPEAYDPEPRQ-UGKGYDQZSA-N 1 3 359.558 3.179 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000543523386 503802079 /nfs/dbraw/zinc/80/20/79/503802079.db2.gz TVIPCFYWIDTBLC-UHFFFAOYSA-N 1 3 365.562 3.267 20 0 FGADHO CC(CN1CCC2(CCOCC2)[C@@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573910 503816073 /nfs/dbraw/zinc/81/60/73/503816073.db2.gz JQTROSQVHQKOTL-PMACEKPBSA-N 1 3 364.574 3.405 20 0 FGADHO CC(CN1CCC2(CCOCC2)[C@@H]1C)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573910 503816077 /nfs/dbraw/zinc/81/60/77/503816077.db2.gz JQTROSQVHQKOTL-PMACEKPBSA-N 1 3 364.574 3.405 20 0 FGADHO CC1CCN([C@H](CNC(=O)CCCC[NH+](C)C)c2cccs2)CC1 ZINC000517765743 503831669 /nfs/dbraw/zinc/83/16/69/503831669.db2.gz GLHVTICHEGLQCD-QGZVFWFLSA-N 1 3 351.560 3.369 20 0 FGADHO Cc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000530248295 503894175 /nfs/dbraw/zinc/89/41/75/503894175.db2.gz IHAPCEQZGOOLEF-GOSISDBHSA-N 1 3 368.468 3.495 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518067825 503902086 /nfs/dbraw/zinc/90/20/86/503902086.db2.gz DKWYBOLPCCIGFN-QRVBRYPASA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518094710 503907530 /nfs/dbraw/zinc/90/75/30/503907530.db2.gz UQRZKPKPKHYAPS-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@]12CCCO2 ZINC000546871583 503911157 /nfs/dbraw/zinc/91/11/57/503911157.db2.gz AQDUGCVQOPKHJB-VRXWPRPYSA-N 1 3 362.514 3.004 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000543910047 503938409 /nfs/dbraw/zinc/93/84/09/503938409.db2.gz JIKVFFYJJBFWFW-YLJYHZDGSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000518270999 503941327 /nfs/dbraw/zinc/94/13/27/503941327.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000518270999 503941328 /nfs/dbraw/zinc/94/13/28/503941328.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362219 503963221 /nfs/dbraw/zinc/96/32/21/503963221.db2.gz KNSHSRYKPAAMRW-MJGOQNOKSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362219 503963225 /nfs/dbraw/zinc/96/32/25/503963225.db2.gz KNSHSRYKPAAMRW-MJGOQNOKSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362219 503963230 /nfs/dbraw/zinc/96/32/30/503963230.db2.gz KNSHSRYKPAAMRW-MJGOQNOKSA-N 1 3 368.949 3.175 20 0 FGADHO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000540988597 503966954 /nfs/dbraw/zinc/96/69/54/503966954.db2.gz NVVPSNVJZIYBGS-PWRODBHTSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991597 503967756 /nfs/dbraw/zinc/96/77/56/503967756.db2.gz HMXMOEKJIDKPHI-UPKQVVFYSA-N 1 3 354.469 3.415 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540991597 503967764 /nfs/dbraw/zinc/96/77/64/503967764.db2.gz HMXMOEKJIDKPHI-UPKQVVFYSA-N 1 3 354.469 3.415 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023705 /nfs/dbraw/zinc/02/37/05/504023705.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023710 /nfs/dbraw/zinc/02/37/10/504023710.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367982 504079206 /nfs/dbraw/zinc/07/92/06/504079206.db2.gz GDMBWKSQKXQGEY-MSOLQXFVSA-N 1 3 371.525 3.019 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952498 504094787 /nfs/dbraw/zinc/09/47/87/504094787.db2.gz IDIWRWDVNMLYDT-GCJKJVERSA-N 1 3 370.541 3.314 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952498 504094792 /nfs/dbraw/zinc/09/47/92/504094792.db2.gz IDIWRWDVNMLYDT-GCJKJVERSA-N 1 3 370.541 3.314 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099626 /nfs/dbraw/zinc/09/96/26/504099626.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 1 3 373.585 3.376 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963510 504104025 /nfs/dbraw/zinc/10/40/25/504104025.db2.gz AQBOOJGMZNMJCW-JTHBVZDNSA-N 1 3 368.521 3.293 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963510 504104031 /nfs/dbraw/zinc/10/40/31/504104031.db2.gz AQBOOJGMZNMJCW-JTHBVZDNSA-N 1 3 368.521 3.293 20 0 FGADHO C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000519026178 504121627 /nfs/dbraw/zinc/12/16/27/504121627.db2.gz FZKCUALMEMTLQZ-AVRDEDQJSA-N 1 3 350.510 3.432 20 0 FGADHO C[C@H](CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439488 504135072 /nfs/dbraw/zinc/13/50/72/504135072.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439488 504135078 /nfs/dbraw/zinc/13/50/78/504135078.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439488 504135083 /nfs/dbraw/zinc/13/50/83/504135083.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439488 504135087 /nfs/dbraw/zinc/13/50/87/504135087.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156761 504153225 /nfs/dbraw/zinc/15/32/25/504153225.db2.gz LHHRGNKXGKYEDW-BVYCBKJFSA-N 1 3 369.553 3.135 20 0 FGADHO CC(C)[C@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000544622168 504195163 /nfs/dbraw/zinc/19/51/63/504195163.db2.gz RVZAEAHCJFHYIJ-QUCCMNQESA-N 1 3 366.594 3.115 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000519383441 504208258 /nfs/dbraw/zinc/20/82/58/504208258.db2.gz WOTBAVRTYARFPU-NHCUHLMSSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000538337080 504213367 /nfs/dbraw/zinc/21/33/67/504213367.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000538337080 504213371 /nfs/dbraw/zinc/21/33/71/504213371.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO CC[NH+]1CCC(N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000538350930 504218035 /nfs/dbraw/zinc/21/80/35/504218035.db2.gz ORBXDPCINZYVKQ-UHFFFAOYSA-N 1 3 352.906 3.460 20 0 FGADHO Cc1nc([C@@H]2CCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n[nH]1 ZINC000541761843 504245020 /nfs/dbraw/zinc/24/50/20/504245020.db2.gz FFQZQASIGMVWHL-LJQANCHMSA-N 1 3 355.530 3.451 20 0 FGADHO Cc1nc([C@@H]2CCCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n[nH]1 ZINC000541761843 504245023 /nfs/dbraw/zinc/24/50/23/504245023.db2.gz FFQZQASIGMVWHL-LJQANCHMSA-N 1 3 355.530 3.451 20 0 FGADHO Cc1n[nH]c([C@@H]2CCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000541761843 504245027 /nfs/dbraw/zinc/24/50/27/504245027.db2.gz FFQZQASIGMVWHL-LJQANCHMSA-N 1 3 355.530 3.451 20 0 FGADHO Cc1n[nH]c([C@@H]2CCCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000541761843 504245032 /nfs/dbraw/zinc/24/50/32/504245032.db2.gz FFQZQASIGMVWHL-LJQANCHMSA-N 1 3 355.530 3.451 20 0 FGADHO C[N@H+]1CC=C(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000538445822 504248444 /nfs/dbraw/zinc/24/84/44/504248444.db2.gz MNAWNVDHYODOLQ-SFHVURJKSA-N 1 3 350.890 3.249 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000538445822 504248448 /nfs/dbraw/zinc/24/84/48/504248448.db2.gz MNAWNVDHYODOLQ-SFHVURJKSA-N 1 3 350.890 3.249 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000519580952 504260949 /nfs/dbraw/zinc/26/09/49/504260949.db2.gz UCVOFGQCVPFZNO-AUSIDOKSSA-N 1 3 352.522 3.448 20 0 FGADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000538587631 504294455 /nfs/dbraw/zinc/29/44/55/504294455.db2.gz TZLOSDLXVLHCBQ-UZLBHIALSA-N 1 3 373.928 3.280 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504342008 /nfs/dbraw/zinc/34/20/08/504342008.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504342013 /nfs/dbraw/zinc/34/20/13/504342013.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 1 3 360.546 3.067 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000531686893 504393839 /nfs/dbraw/zinc/39/38/39/504393839.db2.gz MGWJPCSGKVMZNQ-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1c1ccccc1 ZINC000535426966 504433154 /nfs/dbraw/zinc/43/31/54/504433154.db2.gz HMRLSSATMACOPL-GBESFXJTSA-N 1 3 360.546 3.097 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000520348478 504474371 /nfs/dbraw/zinc/47/43/71/504474371.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 1 3 355.526 3.173 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000520348478 504474375 /nfs/dbraw/zinc/47/43/75/504474375.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977621 504492996 /nfs/dbraw/zinc/49/29/96/504492996.db2.gz FSHBUOPPMXWDEA-ZYHUDNBSSA-N 1 3 350.816 3.238 20 0 FGADHO C[C@@H]1C[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977621 504493001 /nfs/dbraw/zinc/49/30/01/504493001.db2.gz FSHBUOPPMXWDEA-ZYHUDNBSSA-N 1 3 350.816 3.238 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CC1 ZINC000539178539 504493614 /nfs/dbraw/zinc/49/36/14/504493614.db2.gz QEPLCGDAAXNDII-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000539178539 504493619 /nfs/dbraw/zinc/49/36/19/504493619.db2.gz QEPLCGDAAXNDII-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000532042433 504514641 /nfs/dbraw/zinc/51/46/41/504514641.db2.gz MOJCQNQSBWEIMB-JOCHJYFZSA-N 1 3 359.558 3.249 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539297099 504523264 /nfs/dbraw/zinc/52/32/64/504523264.db2.gz JLMKBCLTIABJCM-INIZCTEOSA-N 1 3 358.448 3.320 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000542519674 504523550 /nfs/dbraw/zinc/52/35/50/504523550.db2.gz BVHLPDRLXUJOOM-GOSISDBHSA-N 1 3 368.949 3.442 20 0 FGADHO CN(c1ccccc1CN1CCOCC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000545557307 504525604 /nfs/dbraw/zinc/52/56/04/504525604.db2.gz HLLOQISKUCWWJE-UHFFFAOYSA-N 1 3 357.542 3.220 20 0 FGADHO CC(C)C[C@H](CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485804 504586932 /nfs/dbraw/zinc/58/69/32/504586932.db2.gz FRZFGUREXTYFOL-WIYYLYMNSA-N 1 3 372.557 3.313 20 0 FGADHO CC1CC[NH+](Cc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000542729499 504590119 /nfs/dbraw/zinc/59/01/19/504590119.db2.gz XNWDTGBPXQGOGY-JOCHJYFZSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000520996627 504626098 /nfs/dbraw/zinc/62/60/98/504626098.db2.gz DTUJRRCSUYCAOD-URVUXULASA-N 1 3 355.526 3.052 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473540 504662238 /nfs/dbraw/zinc/66/22/38/504662238.db2.gz GJMRYARALMXNHV-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473540 504662242 /nfs/dbraw/zinc/66/22/42/504662242.db2.gz GJMRYARALMXNHV-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473540 504662246 /nfs/dbraw/zinc/66/22/46/504662246.db2.gz GJMRYARALMXNHV-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000542964714 504675570 /nfs/dbraw/zinc/67/55/70/504675570.db2.gz MRKPUKHXZCDOFS-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233521 504689328 /nfs/dbraw/zinc/68/93/28/504689328.db2.gz QKKRSRJKTSHWOC-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589542 504704472 /nfs/dbraw/zinc/70/44/72/504704472.db2.gz LFVMGXRBVVYADB-MJGOQNOKSA-N 1 3 356.514 3.304 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589542 504704476 /nfs/dbraw/zinc/70/44/76/504704476.db2.gz LFVMGXRBVVYADB-MJGOQNOKSA-N 1 3 356.514 3.304 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@@H](C)O1 ZINC000543062320 504708481 /nfs/dbraw/zinc/70/84/81/504708481.db2.gz CJSMUXPUQFPKFG-HUUCEWRRSA-N 1 3 352.906 3.254 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225819 504830689 /nfs/dbraw/zinc/83/06/89/504830689.db2.gz GNRLOZSPAKLFKP-FUHWJXTLSA-N 1 3 366.347 3.273 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000562615099 504880650 /nfs/dbraw/zinc/88/06/50/504880650.db2.gz CZXZZHAKPBHPHH-WOJBJXKFSA-N 1 3 370.541 3.219 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000549750987 504887990 /nfs/dbraw/zinc/88/79/90/504887990.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000549750987 504887995 /nfs/dbraw/zinc/88/79/95/504887995.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 1 3 363.571 3.341 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391827 504902266 /nfs/dbraw/zinc/90/22/66/504902266.db2.gz JQFDODVUKMNDCA-FGZHOGPDSA-N 1 3 365.521 3.236 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391827 504902269 /nfs/dbraw/zinc/90/22/69/504902269.db2.gz JQFDODVUKMNDCA-FGZHOGPDSA-N 1 3 365.521 3.236 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000549840428 504912673 /nfs/dbraw/zinc/91/26/73/504912673.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 1 3 358.526 3.410 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000549840428 504912676 /nfs/dbraw/zinc/91/26/76/504912676.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 1 3 358.526 3.410 20 0 FGADHO CC[C@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000565804421 504992453 /nfs/dbraw/zinc/99/24/53/504992453.db2.gz UNHAGJJCXDCKJA-GOSISDBHSA-N 1 3 361.921 3.212 20 0 FGADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000553770717 505005045 /nfs/dbraw/zinc/00/50/45/505005045.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000553770717 505005047 /nfs/dbraw/zinc/00/50/47/505005047.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 1 3 364.534 3.006 20 0 FGADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556885993 505007071 /nfs/dbraw/zinc/00/70/71/505007071.db2.gz KDNUJPUOQOXSOO-SLFFLAALSA-N 1 3 357.542 3.039 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000550326314 505022847 /nfs/dbraw/zinc/02/28/47/505022847.db2.gz YSMXJOOHKIGCPW-NDYOWHOSSA-N 1 3 368.525 3.244 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000550326314 505022851 /nfs/dbraw/zinc/02/28/51/505022851.db2.gz YSMXJOOHKIGCPW-NDYOWHOSSA-N 1 3 368.525 3.244 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000560265080 505033559 /nfs/dbraw/zinc/03/35/59/505033559.db2.gz DGCKGDCGJUNROJ-FGZHOGPDSA-N 1 3 357.542 3.362 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000560265080 505033562 /nfs/dbraw/zinc/03/35/62/505033562.db2.gz DGCKGDCGJUNROJ-FGZHOGPDSA-N 1 3 357.542 3.362 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000557038904 505050507 /nfs/dbraw/zinc/05/05/07/505050507.db2.gz OSLFCTQIUXBWLD-AWEZNQCLSA-N 1 3 362.493 3.103 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000557038904 505050508 /nfs/dbraw/zinc/05/05/08/505050508.db2.gz OSLFCTQIUXBWLD-AWEZNQCLSA-N 1 3 362.493 3.103 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088764 505076658 /nfs/dbraw/zinc/07/66/58/505076658.db2.gz KZFVDFMHBXJLNR-DHSIGJKJSA-N 1 3 360.452 3.250 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NCc1ccncc1OCCC[NH+](C)C)CC2 ZINC000563275290 505093155 /nfs/dbraw/zinc/09/31/55/505093155.db2.gz PEHXUUGOEDUUPT-FQEVSTJZSA-N 1 3 369.509 3.068 20 0 FGADHO COc1ccc([C@@H](Cc2ccncc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560513958 505109868 /nfs/dbraw/zinc/10/98/68/505109868.db2.gz OAKXWOFXFMHRNH-XMSQKQJNSA-N 1 3 351.494 3.448 20 0 FGADHO COc1ccc([C@@H](Cc2ccncc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560513958 505109870 /nfs/dbraw/zinc/10/98/70/505109870.db2.gz OAKXWOFXFMHRNH-XMSQKQJNSA-N 1 3 351.494 3.448 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000560530245 505116181 /nfs/dbraw/zinc/11/61/81/505116181.db2.gz PGQIAXOUHYTHJY-DARAHFNDSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000560530245 505116185 /nfs/dbraw/zinc/11/61/85/505116185.db2.gz PGQIAXOUHYTHJY-DARAHFNDSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000560530245 505116189 /nfs/dbraw/zinc/11/61/89/505116189.db2.gz PGQIAXOUHYTHJY-DARAHFNDSA-N 1 3 373.324 3.196 20 0 FGADHO C[C@H](NCC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000566229555 505118730 /nfs/dbraw/zinc/11/87/30/505118730.db2.gz GNTZFQYVKDHCHN-NSHDSACASA-N 1 3 365.275 3.149 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCC4)cc2)CC1 ZINC000560887111 505207482 /nfs/dbraw/zinc/20/74/82/505207482.db2.gz VYCLTFJSGWSMRB-FQEVSTJZSA-N 1 3 355.526 3.196 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000566917277 505311025 /nfs/dbraw/zinc/31/10/25/505311025.db2.gz CHLBQRXLOFBDKL-QFIPXVFZSA-N 1 3 372.557 3.215 20 0 FGADHO CCOC(=O)COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551977807 505359874 /nfs/dbraw/zinc/35/98/74/505359874.db2.gz CLORNFWHVNWAQU-UHFFFAOYSA-N 1 3 362.514 3.181 20 0 FGADHO CCOC(=O)COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551977807 505359875 /nfs/dbraw/zinc/35/98/75/505359875.db2.gz CLORNFWHVNWAQU-UHFFFAOYSA-N 1 3 362.514 3.181 20 0 FGADHO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552056634 505383552 /nfs/dbraw/zinc/38/35/52/505383552.db2.gz MHSPAPPUPFODCL-FVOUEADFSA-N 1 3 372.553 3.197 20 0 FGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000552061581 505387269 /nfs/dbraw/zinc/38/72/69/505387269.db2.gz ROSYZFYZBIHGHK-OAHLLOKOSA-N 1 3 363.452 3.411 20 0 FGADHO CN(C)c1nccc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000552063974 505388180 /nfs/dbraw/zinc/38/81/80/505388180.db2.gz UBPNAOXJSJUDDQ-UHFFFAOYSA-N 1 3 353.514 3.075 20 0 FGADHO CN(C)c1nccc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000552063974 505388183 /nfs/dbraw/zinc/38/81/83/505388183.db2.gz UBPNAOXJSJUDDQ-UHFFFAOYSA-N 1 3 353.514 3.075 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000558830638 505505454 /nfs/dbraw/zinc/50/54/54/505505454.db2.gz OQPVLTXHGVWMPH-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C/C=C\c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567690107 505537872 /nfs/dbraw/zinc/53/78/72/505537872.db2.gz YLMMCCHXXXNWQY-GCYVJDTOSA-N 1 3 374.525 3.073 20 0 FGADHO C/C=C\c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690107 505537874 /nfs/dbraw/zinc/53/78/74/505537874.db2.gz YLMMCCHXXXNWQY-GCYVJDTOSA-N 1 3 374.525 3.073 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552780149 505553347 /nfs/dbraw/zinc/55/33/47/505553347.db2.gz ZNXTYTOLHDZOGX-FGTMMUONSA-N 1 3 373.541 3.037 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552780149 505553349 /nfs/dbraw/zinc/55/33/49/505553349.db2.gz ZNXTYTOLHDZOGX-FGTMMUONSA-N 1 3 373.541 3.037 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217237 506488891 /nfs/dbraw/zinc/48/88/91/506488891.db2.gz DTADQHCYEUZDIX-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217237 506488896 /nfs/dbraw/zinc/48/88/96/506488896.db2.gz DTADQHCYEUZDIX-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccncc3C)CC2)c1 ZINC000583303089 506705176 /nfs/dbraw/zinc/70/51/76/506705176.db2.gz CNKVQRYQYJBZRJ-UHFFFAOYSA-N 1 3 352.526 3.390 20 0 FGADHO COC(=O)c1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000597047937 506749001 /nfs/dbraw/zinc/74/90/01/506749001.db2.gz SEZOCGIZQLUKHC-IYBDPMFKSA-N 1 3 350.478 3.460 20 0 FGADHO COC(=O)c1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000597047937 506749006 /nfs/dbraw/zinc/74/90/06/506749006.db2.gz SEZOCGIZQLUKHC-IYBDPMFKSA-N 1 3 350.478 3.460 20 0 FGADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000612847192 506777964 /nfs/dbraw/zinc/77/79/64/506777964.db2.gz MDLGUXJOBUHIEW-FQEVSTJZSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000583696139 506921813 /nfs/dbraw/zinc/92/18/13/506921813.db2.gz GPRZJARIACDZFS-QGZVFWFLSA-N 1 3 355.526 3.407 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000583696139 506921820 /nfs/dbraw/zinc/92/18/20/506921820.db2.gz GPRZJARIACDZFS-QGZVFWFLSA-N 1 3 355.526 3.407 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130047 506931541 /nfs/dbraw/zinc/93/15/41/506931541.db2.gz YVIWKPKDDQUGJH-RXVVDRJESA-N 1 3 357.542 3.055 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000591096977 507113613 /nfs/dbraw/zinc/11/36/13/507113613.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000591096977 507113616 /nfs/dbraw/zinc/11/36/16/507113616.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N(C)Cc1ccccc1 ZINC000600840002 507142467 /nfs/dbraw/zinc/14/24/67/507142467.db2.gz CBEXBYMBNDMFHO-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000584086362 507142869 /nfs/dbraw/zinc/14/28/69/507142869.db2.gz GCLNAZMFTHYNPQ-IBGZPJMESA-N 1 3 374.573 3.379 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000584086362 507142875 /nfs/dbraw/zinc/14/28/75/507142875.db2.gz GCLNAZMFTHYNPQ-IBGZPJMESA-N 1 3 374.573 3.379 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N(C)Cc1ccccc1 ZINC000600840001 507143426 /nfs/dbraw/zinc/14/34/26/507143426.db2.gz CBEXBYMBNDMFHO-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000591175704 507144732 /nfs/dbraw/zinc/14/47/32/507144732.db2.gz AQRGMWQTIRXWDU-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239852 /nfs/dbraw/zinc/23/98/52/507239852.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239859 /nfs/dbraw/zinc/23/98/59/507239859.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000591541719 507283021 /nfs/dbraw/zinc/28/30/21/507283021.db2.gz GKIUPWXPNCNYIR-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000591541719 507283029 /nfs/dbraw/zinc/28/30/29/507283029.db2.gz GKIUPWXPNCNYIR-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000601223351 507302436 /nfs/dbraw/zinc/30/24/36/507302436.db2.gz UESONRWHGBYESZ-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243439 507308855 /nfs/dbraw/zinc/30/88/55/507308855.db2.gz MCKCQQMBSZEVLV-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000601243439 507308860 /nfs/dbraw/zinc/30/88/60/507308860.db2.gz MCKCQQMBSZEVLV-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000584415543 507333472 /nfs/dbraw/zinc/33/34/72/507333472.db2.gz MYGFCRKKKCZFTM-ZBFHGGJFSA-N 1 3 353.938 3.268 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016807 507355052 /nfs/dbraw/zinc/35/50/52/507355052.db2.gz XNOAJELIAMWIKK-BLLLJJGKSA-N 1 3 370.278 3.210 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000606539560 507438119 /nfs/dbraw/zinc/43/81/19/507438119.db2.gz LKJAQSLAOCPMFI-XYOKQWHBSA-N 1 3 357.542 3.260 20 0 FGADHO FC(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450683 /nfs/dbraw/zinc/45/06/83/507450683.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 1 3 374.422 3.357 20 0 FGADHO FC(F)C(F)(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450688 /nfs/dbraw/zinc/45/06/88/507450688.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 1 3 374.422 3.357 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000607125425 507623241 /nfs/dbraw/zinc/62/32/41/507623241.db2.gz PMDXCFWVUACQKA-NQIIRXRSSA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000607125425 507623247 /nfs/dbraw/zinc/62/32/47/507623247.db2.gz PMDXCFWVUACQKA-NQIIRXRSSA-N 1 3 357.542 3.230 20 0 FGADHO CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000592393454 507634648 /nfs/dbraw/zinc/63/46/48/507634648.db2.gz ATGQUQUSOURJCA-AXUOBQJMSA-N 1 3 352.544 3.187 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645654 /nfs/dbraw/zinc/64/56/54/507645654.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645662 /nfs/dbraw/zinc/64/56/62/507645662.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000607228451 507661138 /nfs/dbraw/zinc/66/11/38/507661138.db2.gz PUORBTJKDSEHEN-SFHVURJKSA-N 1 3 368.953 3.172 20 0 FGADHO Cc1c(NC[C@H]2CCN2C(C)(C)C)ncnc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000630095185 522615385 /nfs/dbraw/zinc/61/53/85/522615385.db2.gz VPRUDMBMYSRSBL-IAGOWNOFSA-N 1 3 374.577 3.354 20 0 FGADHO Cc1c(NC[C@H]2CCN2C(C)(C)C)ncnc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000630095185 522615390 /nfs/dbraw/zinc/61/53/90/522615390.db2.gz VPRUDMBMYSRSBL-IAGOWNOFSA-N 1 3 374.577 3.354 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825413058 608494822 /nfs/dbraw/zinc/49/48/22/608494822.db2.gz WZIWYLSVWSPLFF-BEFAXECRSA-N 1 3 356.518 3.344 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825413058 608494825 /nfs/dbraw/zinc/49/48/25/608494825.db2.gz WZIWYLSVWSPLFF-BEFAXECRSA-N 1 3 356.518 3.344 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000824249351 609147014 /nfs/dbraw/zinc/14/70/14/609147014.db2.gz MHIXQUGIRWYEFV-OAHLLOKOSA-N 1 3 374.508 3.415 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000824249351 609147015 /nfs/dbraw/zinc/14/70/15/609147015.db2.gz MHIXQUGIRWYEFV-OAHLLOKOSA-N 1 3 374.508 3.415 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798479 700660148 /nfs/dbraw/zinc/66/01/48/700660148.db2.gz HUTLIRYEDRDRPH-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 ZINC000157940623 705168199 /nfs/dbraw/zinc/16/81/99/705168199.db2.gz MHWGMGITLRBXKQ-KRWDZBQOSA-N 1 3 351.922 3.391 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198516 /nfs/dbraw/zinc/19/85/16/705198516.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198520 /nfs/dbraw/zinc/19/85/20/705198520.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1CN1CCCCC1 ZINC000183069585 705876097 /nfs/dbraw/zinc/87/60/97/705876097.db2.gz ZKFXAQUXLSLJOI-JXFKEZNVSA-N 1 3 364.555 3.200 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000195191793 713548356 /nfs/dbraw/zinc/54/83/56/713548356.db2.gz RDTLTKWDVXLPHR-FQEVSTJZSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000512037378 714128908 /nfs/dbraw/zinc/12/89/08/714128908.db2.gz GPEAFQBBNYFFFF-STQMWFEESA-N 1 3 361.349 3.490 20 0 FGADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672310 714543859 /nfs/dbraw/zinc/54/38/59/714543859.db2.gz UBNMRRUGZTYSHR-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672310 714543863 /nfs/dbraw/zinc/54/38/63/714543863.db2.gz UBNMRRUGZTYSHR-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347617 715316001 /nfs/dbraw/zinc/31/60/01/715316001.db2.gz GAWPEOLFFCIQBC-QFBILLFUSA-N 1 3 365.949 3.176 20 0 FGADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478623 715344329 /nfs/dbraw/zinc/34/43/29/715344329.db2.gz RZXUCKONRWXZEY-QWHCGFSZSA-N 1 3 353.869 3.047 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000779473282 724415811 /nfs/dbraw/zinc/41/58/11/724415811.db2.gz CFLIHHWJXGNWSP-GOSISDBHSA-N 1 3 351.535 3.194 20 0 FGADHO [NH3+]CCCOCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629538159 716304163 /nfs/dbraw/zinc/30/41/63/716304163.db2.gz MQDCNGNUHILXMO-SFHVURJKSA-N 1 3 363.299 3.494 20 0 FGADHO COc1ccc([C@H](NCCOCCC[NH3+])C(C)C)c(Br)c1 ZINC000629541355 716305206 /nfs/dbraw/zinc/30/52/06/716305206.db2.gz YWTBSZMXTRAAJF-MRXNPFEDSA-N 1 3 359.308 3.110 20 0 FGADHO FC(F)(F)Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000631074371 716560367 /nfs/dbraw/zinc/56/03/67/716560367.db2.gz AZUVUENWZZKMJI-OAHLLOKOSA-N 1 3 356.432 3.382 20 0 FGADHO Clc1ccc(CN2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1Cl ZINC000634995546 717138976 /nfs/dbraw/zinc/13/89/76/717138976.db2.gz HZIYCKOYOMRUQC-UHFFFAOYSA-N 1 3 354.325 3.299 20 0 FGADHO [NH3+]Cc1cccc2c1N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC000638543087 717456629 /nfs/dbraw/zinc/45/66/29/717456629.db2.gz PQOYHTIJWRAXNA-GJZGRUSLSA-N 1 3 356.388 3.172 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@@H](C)O1 ZINC000648437170 718426826 /nfs/dbraw/zinc/42/68/26/718426826.db2.gz QZDTVKRGPBSIAJ-ZIAGYGMSSA-N 1 3 351.878 3.460 20 0 FGADHO C[NH+](C)CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC000649660202 718546213 /nfs/dbraw/zinc/54/62/13/718546213.db2.gz AVMJIDQYJPUTTO-JKSUJKDBSA-N 1 3 358.404 3.329 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705363 718716608 /nfs/dbraw/zinc/71/66/08/718716608.db2.gz FKGVDJNUOKZWAV-UXLLHSPISA-N 1 3 368.905 3.076 20 0 FGADHO C[NH2+]Cc1ccccc1CNCc1cc2c(c(Br)c1)OCO2 ZINC000650718421 718719419 /nfs/dbraw/zinc/71/94/19/718719419.db2.gz LPJSJWLNEGLJOJ-UHFFFAOYSA-N 1 3 363.255 3.187 20 0 FGADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349260 718935249 /nfs/dbraw/zinc/93/52/49/718935249.db2.gz IHUFIZDGMMDCRB-QILLFSRXSA-N 1 3 361.511 3.430 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC000652363641 718937244 /nfs/dbraw/zinc/93/72/44/718937244.db2.gz JWYONGVTZRXCBD-QGPMSJSTSA-N 1 3 356.869 3.219 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655707771 719328067 /nfs/dbraw/zinc/32/80/67/719328067.db2.gz CNPPQEKZZBYPKV-AEFFLSMTSA-N 1 3 352.544 3.017 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N)CCCC1 ZINC000656789676 719471187 /nfs/dbraw/zinc/47/11/87/719471187.db2.gz VDGLROTVOJCGQN-LBPRGKRZSA-N 1 3 354.292 3.027 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC000781918671 724612186 /nfs/dbraw/zinc/61/21/86/724612186.db2.gz YRFUBODCSYNBMS-FQEVSTJZSA-N 1 3 351.535 3.195 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC000781918671 724612187 /nfs/dbraw/zinc/61/21/87/724612187.db2.gz YRFUBODCSYNBMS-FQEVSTJZSA-N 1 3 351.535 3.195 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493308 719920274 /nfs/dbraw/zinc/92/02/74/719920274.db2.gz XYPHQXJCEQZSJP-INIZCTEOSA-N 1 3 354.926 3.102 20 0 FGADHO CO[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CCCCC1 ZINC000660149564 719997438 /nfs/dbraw/zinc/99/74/38/719997438.db2.gz CTVHWMJYZVQGLU-NRFANRHFSA-N 1 3 351.579 3.072 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720092999 /nfs/dbraw/zinc/09/29/99/720092999.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 1 3 366.933 3.196 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720093004 /nfs/dbraw/zinc/09/30/04/720093004.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 1 3 366.933 3.196 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccsc1 ZINC000662384797 720423740 /nfs/dbraw/zinc/42/37/40/720423740.db2.gz XAMQQTBKESNEFK-OALUTQOASA-N 1 3 357.523 3.482 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662391233 720424398 /nfs/dbraw/zinc/42/43/98/720424398.db2.gz YJDVXAWOYSHART-UHFFFAOYSA-N 1 3 357.523 3.166 20 0 FGADHO Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995041 722193676 /nfs/dbraw/zinc/19/36/76/722193676.db2.gz RNDDRBZQHKJGBL-JOCHJYFZSA-N 1 3 366.484 3.111 20 0 FGADHO COc1ccc([C@H](NCCOCC[NH+](C)C)C(C)C)c(Br)c1 ZINC000685654976 722397150 /nfs/dbraw/zinc/39/71/50/722397150.db2.gz RNAGDLCKDURGCI-QGZVFWFLSA-N 1 3 373.335 3.323 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766271351 723565432 /nfs/dbraw/zinc/56/54/32/723565432.db2.gz UGDLQZNTEKJVBH-KBPBESRZSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CCC[C@@H]1C ZINC000766271351 723565433 /nfs/dbraw/zinc/56/54/33/723565433.db2.gz UGDLQZNTEKJVBH-KBPBESRZSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CCC[C@H]1C ZINC000766271889 723565478 /nfs/dbraw/zinc/56/54/78/723565478.db2.gz GVJGRBZOOWWWEP-UONOGXRCSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CCC[C@H]1C ZINC000766271889 723565479 /nfs/dbraw/zinc/56/54/79/723565479.db2.gz GVJGRBZOOWWWEP-UONOGXRCSA-N 1 3 357.420 3.496 20 0 FGADHO COc1c(C)cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000796982307 723662306 /nfs/dbraw/zinc/66/23/06/723662306.db2.gz IJPPPGORHCPHRR-HNNXBMFYSA-N 1 3 353.938 3.334 20 0 FGADHO FC(F)C1CC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000768680439 723665199 /nfs/dbraw/zinc/66/51/99/723665199.db2.gz ZYQWKTANZBWJBZ-UHFFFAOYSA-N 1 3 351.485 3.218 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)CN1CCCC1 ZINC000775377902 723986577 /nfs/dbraw/zinc/98/65/77/723986577.db2.gz FMBJPCLQAWMJSW-RHSMWYFYSA-N 1 3 356.482 3.425 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)cc1CN1CCCCC1 ZINC000775416886 723989893 /nfs/dbraw/zinc/98/98/93/723989893.db2.gz ZLOMAQOHAJTBIG-LEHBWIKQSA-N 1 3 366.571 3.489 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417987 724911340 /nfs/dbraw/zinc/91/13/40/724911340.db2.gz LYSZACHECYFATI-KBPBESRZSA-N 1 3 357.340 3.030 20 0 FGADHO CCCCN1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819043236 727341507 /nfs/dbraw/zinc/34/15/07/727341507.db2.gz QPTSYTXOHUIMAI-KRWDZBQOSA-N 1 3 373.310 3.476 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000823489260 729284872 /nfs/dbraw/zinc/28/48/72/729284872.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 1 3 353.551 3.199 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000823489260 729284874 /nfs/dbraw/zinc/28/48/74/729284874.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 1 3 353.551 3.199 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000829268651 729470632 /nfs/dbraw/zinc/47/06/32/729470632.db2.gz AFBWDLDGKAONAO-KRWDZBQOSA-N 1 3 366.937 3.206 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000830944288 729604649 /nfs/dbraw/zinc/60/46/49/729604649.db2.gz YXIUFBXFWUTYAD-INIZCTEOSA-N 1 3 354.926 3.058 20 0 FGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843364217 730610956 /nfs/dbraw/zinc/61/09/56/730610956.db2.gz SCRGDWGRDIPHCT-UHFFFAOYSA-N 1 3 370.324 3.027 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399560 730614981 /nfs/dbraw/zinc/61/49/81/730614981.db2.gz KYYOJDWVIUMLJM-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399560 730614986 /nfs/dbraw/zinc/61/49/86/730614986.db2.gz KYYOJDWVIUMLJM-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399560 730614988 /nfs/dbraw/zinc/61/49/88/730614988.db2.gz KYYOJDWVIUMLJM-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO CC1CCN(CCC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845920753 730909617 /nfs/dbraw/zinc/90/96/17/730909617.db2.gz KYLGWKCTEUAEAO-UHFFFAOYSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000849090909 731228069 /nfs/dbraw/zinc/22/80/69/731228069.db2.gz QPLBLXYPMONFNU-AWEZNQCLSA-N 1 3 356.436 3.440 20 0 FGADHO Cc1ccccc1SC[C@@H](C)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000859193231 732288262 /nfs/dbraw/zinc/28/82/62/732288262.db2.gz RZARSUCNDPAYPE-AZUAARDMSA-N 1 3 361.599 3.435 20 0 FGADHO Cc1ccccc1SC[C@@H](C)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193231 732288263 /nfs/dbraw/zinc/28/82/63/732288263.db2.gz RZARSUCNDPAYPE-AZUAARDMSA-N 1 3 361.599 3.435 20 0 FGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccccc1Cl ZINC000859214148 732291169 /nfs/dbraw/zinc/29/11/69/732291169.db2.gz MSRAWVZDXQXXHG-SFHVURJKSA-N 1 3 362.901 3.273 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000862408866 732827813 /nfs/dbraw/zinc/82/78/13/732827813.db2.gz JWQHQWQRUSGNKO-KGLIPLIRSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000862408866 732827815 /nfs/dbraw/zinc/82/78/15/732827815.db2.gz JWQHQWQRUSGNKO-KGLIPLIRSA-N 1 3 361.477 3.094 20 0 FGADHO Cc1ccc(OC(F)F)c([C@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288716 735746591 /nfs/dbraw/zinc/74/65/91/735746591.db2.gz AUEXBAMWBWLUSI-LSDHHAIUSA-N 1 3 354.441 3.406 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000876722810 736136499 /nfs/dbraw/zinc/13/64/99/736136499.db2.gz FNHXDZYWUWBXTI-LSDHHAIUSA-N 1 3 371.428 3.186 20 0 FGADHO Cn1nc(C(F)(F)F)c(CNC2CCC(C)([NH+](C)C)CC2)c1Cl ZINC000877711619 736709327 /nfs/dbraw/zinc/70/93/27/736709327.db2.gz RMCBLEYZBXFAKA-UHFFFAOYSA-N 1 3 352.832 3.445 20 0 FGADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000878436389 736834280 /nfs/dbraw/zinc/83/42/80/736834280.db2.gz JADBRQJZUHVOPG-CQSZACIVSA-N 1 3 359.901 3.354 20 0 FGADHO COC(=O)c1cnc(CC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)s1 ZINC000880272324 737145988 /nfs/dbraw/zinc/14/59/88/737145988.db2.gz QGGDGRAOLMNYIF-INIZCTEOSA-N 1 3 365.543 3.059 20 0 FGADHO CC(C)(C)OC(=O)N1CCC(CN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880472760 737178370 /nfs/dbraw/zinc/17/83/70/737178370.db2.gz BFWKVHLYPQVGJW-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892613142 740023044 /nfs/dbraw/zinc/02/30/44/740023044.db2.gz QMOMMFNGXSTGQG-OALUTQOASA-N 1 3 350.478 3.252 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892613141 740023167 /nfs/dbraw/zinc/02/31/67/740023167.db2.gz QMOMMFNGXSTGQG-MOPGFXCFSA-N 1 3 350.478 3.252 20 0 FGADHO C[C@H](CN(C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682480 742439406 /nfs/dbraw/zinc/43/94/06/742439406.db2.gz FBBDLTKEZXMHPA-GOSISDBHSA-N 1 3 366.571 3.392 20 0 FGADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097248 743804279 /nfs/dbraw/zinc/80/42/79/743804279.db2.gz DWIHINNEGIGQLZ-NXCDMZCRSA-N 1 3 351.535 3.283 20 0 FGADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097248 743804284 /nfs/dbraw/zinc/80/42/84/743804284.db2.gz DWIHINNEGIGQLZ-NXCDMZCRSA-N 1 3 351.535 3.283 20 0 FGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CCN1C ZINC000903270065 743832890 /nfs/dbraw/zinc/83/28/90/743832890.db2.gz CEJKJYHOPFXQQK-VDHUWJSZSA-N 1 3 355.448 3.122 20 0 FGADHO CSc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH3+])N(C)C)cc1 ZINC000904634210 743965739 /nfs/dbraw/zinc/96/57/39/743965739.db2.gz PCOHISSCPSYBBO-SFHVURJKSA-N 1 3 358.511 3.292 20 0 FGADHO C[C@H](C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CCN(C)CC1 ZINC000924966351 759424410 /nfs/dbraw/zinc/42/44/10/759424410.db2.gz SMPONYHYKMHTJL-OXQOHEQNSA-N 1 3 358.917 3.050 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc2ccc(Br)cc2c1 ZINC000925732472 759527031 /nfs/dbraw/zinc/52/70/31/759527031.db2.gz BRPBPWKAVVYAII-IGNZVWTISA-N 1 3 363.299 3.444 20 0 FGADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925775316 759534256 /nfs/dbraw/zinc/53/42/56/759534256.db2.gz FPVOOXPQXBZUQE-TVQRCGJNSA-N 1 3 363.221 3.410 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925779962 759535478 /nfs/dbraw/zinc/53/54/78/759535478.db2.gz CNIQNNGGGBPDBA-BXUZGUMPSA-N 1 3 352.454 3.409 20 0 FGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560738 762912930 /nfs/dbraw/zinc/91/29/30/762912930.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 1 3 363.933 3.021 20 0 FGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560738 762912931 /nfs/dbraw/zinc/91/29/31/762912931.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 1 3 363.933 3.021 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC001024967509 766064519 /nfs/dbraw/zinc/06/45/19/766064519.db2.gz SHSSMXXZYQZBBN-RBSFLKMASA-N 1 3 369.962 3.212 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC001024967509 766064528 /nfs/dbraw/zinc/06/45/28/766064528.db2.gz SHSSMXXZYQZBBN-RBSFLKMASA-N 1 3 369.962 3.212 20 0 FGADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092850 /nfs/dbraw/zinc/09/28/50/766092850.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092856 /nfs/dbraw/zinc/09/28/56/766092856.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO C[C@H]1CC2(CN1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431733 727311407 /nfs/dbraw/zinc/31/14/07/727311407.db2.gz RUVCJTLBLUFISE-ZDUSSCGKSA-N 1 3 370.278 3.255 20 0 FGADHO c1ccc2c(c1)O[C@H](CN[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843787 505593100 /nfs/dbraw/zinc/59/31/00/505593100.db2.gz TYSRXJGZBBOBKY-CEQIKUNHSA-N 1 3 368.502 3.385 20 0 FGADHO O[C@H](CNCC(Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000576794836 505595638 /nfs/dbraw/zinc/59/56/38/505595638.db2.gz ISXOJAISRLZTFR-HSZRJFAPSA-N 1 3 352.522 3.134 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576863273 505611643 /nfs/dbraw/zinc/61/16/43/505611643.db2.gz JBQPPHOBHDUDIS-KRWDZBQOSA-N 1 3 358.448 3.319 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000576935278 505628185 /nfs/dbraw/zinc/62/81/85/505628185.db2.gz VHJBIWGSUCDNBN-XVAYZXCPSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CNCc2ccccc21)c1ccccc1 ZINC000579828737 505628733 /nfs/dbraw/zinc/62/87/33/505628733.db2.gz NLDGVMDBWFVLJK-JXFKEZNVSA-N 1 3 351.494 3.119 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1 ZINC000576985505 505638467 /nfs/dbraw/zinc/63/84/67/505638467.db2.gz CMVXMMJMDMOISS-WZONZLPQSA-N 1 3 365.521 3.163 20 0 FGADHO c1cncc(COc2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000571046459 505640974 /nfs/dbraw/zinc/64/09/74/505640974.db2.gz HRHYRLXVXIFQKY-OAQYLSRUSA-N 1 3 351.494 3.482 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)CC1CCCC1 ZINC000060211365 493918613 /nfs/dbraw/zinc/91/86/13/493918613.db2.gz CVBDRSKZWLDSEP-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)CC1CCCC1 ZINC000060211365 493918619 /nfs/dbraw/zinc/91/86/19/493918619.db2.gz CVBDRSKZWLDSEP-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368503 493927694 /nfs/dbraw/zinc/92/76/94/493927694.db2.gz OBKWKRLFZVBWAI-IRXDYDNUSA-N 1 3 350.478 3.026 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000050802791 493935433 /nfs/dbraw/zinc/93/54/33/493935433.db2.gz HZMXXODLJVZDGI-UHFFFAOYSA-N 1 3 365.521 3.057 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017271 /nfs/dbraw/zinc/01/72/71/494017271.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017273 /nfs/dbraw/zinc/01/72/73/494017273.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000063831096 494092266 /nfs/dbraw/zinc/09/22/66/494092266.db2.gz BAHRIFCVGZCNBU-KDURUIRLSA-N 1 3 357.542 3.380 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000063831096 494092269 /nfs/dbraw/zinc/09/22/69/494092269.db2.gz BAHRIFCVGZCNBU-KDURUIRLSA-N 1 3 357.542 3.380 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000077780504 494175877 /nfs/dbraw/zinc/17/58/77/494175877.db2.gz XJELSTSHGXOUNL-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000072973083 494295736 /nfs/dbraw/zinc/29/57/36/494295736.db2.gz QYKCTZFTHWJBLE-UHFFFAOYSA-N 1 3 357.542 3.196 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415616 494369237 /nfs/dbraw/zinc/36/92/37/494369237.db2.gz XIUARTCRGLFKJX-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415616 494369240 /nfs/dbraw/zinc/36/92/40/494369240.db2.gz XIUARTCRGLFKJX-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382548 505717157 /nfs/dbraw/zinc/71/71/57/505717157.db2.gz XCLMIKOSFVFIDF-RTWAWAEBSA-N 1 3 350.510 3.394 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CC(C)C)C2CCN(C)CC2)CC1 ZINC000073643506 494406965 /nfs/dbraw/zinc/40/69/65/494406965.db2.gz VLYCEYIKUCGTSB-UHFFFAOYSA-N 1 3 372.557 3.185 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000571386330 505721100 /nfs/dbraw/zinc/72/11/00/505721100.db2.gz HZZCPHWAZABAAW-XJABCFGWSA-N 1 3 353.510 3.487 20 0 FGADHO C[NH+](C)CCCCNCc1cc(Br)ccc1OC(F)F ZINC000045598396 494442967 /nfs/dbraw/zinc/44/29/67/494442967.db2.gz STVGOFKDYLDZQF-UHFFFAOYSA-N 1 3 351.235 3.482 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900907 494444971 /nfs/dbraw/zinc/44/49/71/494444971.db2.gz ACPQZBWEHKAFJB-FUHWJXTLSA-N 1 3 364.534 3.015 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900907 494444973 /nfs/dbraw/zinc/44/49/73/494444973.db2.gz ACPQZBWEHKAFJB-FUHWJXTLSA-N 1 3 364.534 3.015 20 0 FGADHO C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221087 494456970 /nfs/dbraw/zinc/45/69/70/494456970.db2.gz FJIMXHAWAVVQPA-CPJLOUKISA-N 1 3 360.523 3.215 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000045757622 494457548 /nfs/dbraw/zinc/45/75/48/494457548.db2.gz RZCVWJFNAPXRAO-LJQANCHMSA-N 1 3 372.557 3.133 20 0 FGADHO C[C@@H](NCCOc1ncccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000090408602 494463622 /nfs/dbraw/zinc/46/36/22/494463622.db2.gz CNSVNRGIPPIBDX-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(OCCN(C)C)c1 ZINC000090408602 494463624 /nfs/dbraw/zinc/46/36/24/494463624.db2.gz CNSVNRGIPPIBDX-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000074210881 494498672 /nfs/dbraw/zinc/49/86/72/494498672.db2.gz HYWBXVOXBPVEDQ-HKUYNNGSSA-N 1 3 360.546 3.242 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1CC ZINC000074496983 494547554 /nfs/dbraw/zinc/54/75/54/494547554.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1CC ZINC000074496983 494547555 /nfs/dbraw/zinc/54/75/55/494547555.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067483210 494549723 /nfs/dbraw/zinc/54/97/23/494549723.db2.gz ALLGREFAZPZOIH-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067483210 494549727 /nfs/dbraw/zinc/54/97/27/494549727.db2.gz ALLGREFAZPZOIH-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125938944 494582824 /nfs/dbraw/zinc/58/28/24/494582824.db2.gz DEGCYNLMJJTNOF-QAPCUYQASA-N 1 3 369.575 3.465 20 0 FGADHO Cc1ccc(-c2ncc(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)s2)o1 ZINC000121152059 494618702 /nfs/dbraw/zinc/61/87/02/494618702.db2.gz DYWMTOXJCNQTKF-CQSZACIVSA-N 1 3 363.527 3.236 20 0 FGADHO CCCn1nc(C)c(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000092587034 494678589 /nfs/dbraw/zinc/67/85/89/494678589.db2.gz IYVOYYOERBFRLJ-IAGOWNOFSA-N 1 3 362.562 3.231 20 0 FGADHO CC[C@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131662028 494690973 /nfs/dbraw/zinc/69/09/73/494690973.db2.gz XGFBWMZDQWNUAP-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO CCC(C)(C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820991 494763177 /nfs/dbraw/zinc/76/31/77/494763177.db2.gz NEYZCIAMJAIPOH-KRWDZBQOSA-N 1 3 360.546 3.313 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000131956936 494784732 /nfs/dbraw/zinc/78/47/32/494784732.db2.gz YKFIXURDBOHBKK-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000131956547 494785622 /nfs/dbraw/zinc/78/56/22/494785622.db2.gz YKFIXURDBOHBKK-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116560879 494814289 /nfs/dbraw/zinc/81/42/89/494814289.db2.gz SXMUPGBOZIQHPK-RBUKOAKNSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560879 494814293 /nfs/dbraw/zinc/81/42/93/494814293.db2.gz SXMUPGBOZIQHPK-RBUKOAKNSA-N 1 3 372.557 3.195 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121709607 494843035 /nfs/dbraw/zinc/84/30/35/494843035.db2.gz RLWMDTLXLGEELY-BDTNDASRSA-N 1 3 370.537 3.081 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457647 494878166 /nfs/dbraw/zinc/87/81/66/494878166.db2.gz LBYRTAROLVYBBE-LJQANCHMSA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457647 494878169 /nfs/dbraw/zinc/87/81/69/494878169.db2.gz LBYRTAROLVYBBE-LJQANCHMSA-N 1 3 368.525 3.031 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534356 494888867 /nfs/dbraw/zinc/88/88/67/494888867.db2.gz YZXUAYXEENPIAB-RHSMWYFYSA-N 1 3 370.463 3.093 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000093506448 494896677 /nfs/dbraw/zinc/89/66/77/494896677.db2.gz QQDOWVAZWVXXPQ-DENIHFKCSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000093506448 494896679 /nfs/dbraw/zinc/89/66/79/494896679.db2.gz QQDOWVAZWVXXPQ-DENIHFKCSA-N 1 3 357.542 3.218 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093769465 494919276 /nfs/dbraw/zinc/91/92/76/494919276.db2.gz YWYUTJBZTJLQCB-UHFFFAOYSA-N 1 3 371.529 3.042 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093769465 494919278 /nfs/dbraw/zinc/91/92/78/494919278.db2.gz YWYUTJBZTJLQCB-UHFFFAOYSA-N 1 3 371.529 3.042 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132920842 494943033 /nfs/dbraw/zinc/94/30/33/494943033.db2.gz KSSGUBYHJVAHDH-QFBILLFUSA-N 1 3 362.514 3.245 20 0 FGADHO CN(c1ccccc1C[NH2+]CCCOCC(F)(F)F)C1CCN(C)CC1 ZINC000132943104 494946967 /nfs/dbraw/zinc/94/69/67/494946967.db2.gz HYLXXSINWMGMBS-UHFFFAOYSA-N 1 3 373.463 3.276 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CN1C1CC1 ZINC000127460863 494947540 /nfs/dbraw/zinc/94/75/40/494947540.db2.gz DDURJXHYUMWRIL-FXAWDEMLSA-N 1 3 370.541 3.097 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132973787 494950874 /nfs/dbraw/zinc/95/08/74/494950874.db2.gz JVEXLDDVVREIRX-MJGOQNOKSA-N 1 3 368.525 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132973787 494950877 /nfs/dbraw/zinc/95/08/77/494950877.db2.gz JVEXLDDVVREIRX-MJGOQNOKSA-N 1 3 368.525 3.332 20 0 FGADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000122277642 494950917 /nfs/dbraw/zinc/95/09/17/494950917.db2.gz ZNQKEQHFLXTTTF-PXNSSMCTSA-N 1 3 373.541 3.201 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110608329 494994227 /nfs/dbraw/zinc/99/42/27/494994227.db2.gz FTBNTUFDRHAXBW-LJQANCHMSA-N 1 3 371.569 3.319 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807588 495034445 /nfs/dbraw/zinc/03/44/45/495034445.db2.gz BUIBQEINTDFENB-CEXWTWQISA-N 1 3 372.557 3.337 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807588 495034447 /nfs/dbraw/zinc/03/44/47/495034447.db2.gz BUIBQEINTDFENB-CEXWTWQISA-N 1 3 372.557 3.337 20 0 FGADHO CN(c1ccccc1C[NH2+]CCc1ccccc1O)C1CCN(C)CC1 ZINC000133620099 495036294 /nfs/dbraw/zinc/03/62/94/495036294.db2.gz CDANIORRTPHFKT-UHFFFAOYSA-N 1 3 353.510 3.255 20 0 FGADHO Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000133651345 495041439 /nfs/dbraw/zinc/04/14/39/495041439.db2.gz NYTVHYXNJATDPH-NRFANRHFSA-N 1 3 355.526 3.183 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144348 495061145 /nfs/dbraw/zinc/06/11/45/495061145.db2.gz ZLWCPCNMKOBCDV-YOEHRIQHSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)N(C)Cc1ccccc1 ZINC000111444215 495075112 /nfs/dbraw/zinc/07/51/12/495075112.db2.gz DLYGDUQBXLDPKC-SFHVURJKSA-N 1 3 368.525 3.068 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000123113072 495082433 /nfs/dbraw/zinc/08/24/33/495082433.db2.gz NMQYLLHWAGJAMW-SFHVURJKSA-N 1 3 354.922 3.134 20 0 FGADHO COc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000119423386 495164341 /nfs/dbraw/zinc/16/43/41/495164341.db2.gz KWGPZYQKNOEEMN-NHCUHLMSSA-N 1 3 367.493 3.038 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129655234 495276450 /nfs/dbraw/zinc/27/64/50/495276450.db2.gz AMOXHMJYDGNCHK-IRXDYDNUSA-N 1 3 371.447 3.189 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135367253 495283601 /nfs/dbraw/zinc/28/36/01/495283601.db2.gz LDNGFKQZRWRKKN-OAQYLSRUSA-N 1 3 357.542 3.074 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000113624666 495322182 /nfs/dbraw/zinc/32/21/82/495322182.db2.gz YPLIAJPFEVZQJD-GOSISDBHSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000113619661 495322310 /nfs/dbraw/zinc/32/23/10/495322310.db2.gz GAJQCNPKTIUNOO-RTBURBONSA-N 1 3 372.557 3.291 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129987277 495324037 /nfs/dbraw/zinc/32/40/37/495324037.db2.gz WGRDKPUHTYKHRA-SJORKVTESA-N 1 3 371.447 3.189 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000105112971 495337857 /nfs/dbraw/zinc/33/78/57/495337857.db2.gz TZELNWWDHFQUAI-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000105112971 495337861 /nfs/dbraw/zinc/33/78/61/495337861.db2.gz TZELNWWDHFQUAI-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140338 495497786 /nfs/dbraw/zinc/49/77/86/495497786.db2.gz WJWOBDLQXOSKFV-KBPBESRZSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176240246 495560186 /nfs/dbraw/zinc/56/01/86/495560186.db2.gz OSPHATGSVCMRKR-QMMLZNLJSA-N 1 3 372.557 3.384 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286374 495569581 /nfs/dbraw/zinc/56/95/81/495569581.db2.gz NDHWTMYKODPRFV-SFHVURJKSA-N 1 3 358.448 3.415 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000154339137 495585516 /nfs/dbraw/zinc/58/55/16/495585516.db2.gz KKPGVBZNFIAFJI-AZUAARDMSA-N 1 3 357.542 3.230 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154344024 495586659 /nfs/dbraw/zinc/58/66/59/495586659.db2.gz RSHMEPMRCABZDL-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483413 495609128 /nfs/dbraw/zinc/60/91/28/495609128.db2.gz DKMMZSRHXKSLRP-UXHICEINSA-N 1 3 358.530 3.043 20 0 FGADHO CC[C@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000580588759 505792412 /nfs/dbraw/zinc/79/24/12/505792412.db2.gz HHWJXLJUXQHAHE-BUMILGAPSA-N 1 3 361.574 3.172 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C2CCC2)CC1 ZINC000170872477 495635060 /nfs/dbraw/zinc/63/50/60/495635060.db2.gz BYONFNLXPWUJLS-QFIPXVFZSA-N 1 3 369.553 3.340 20 0 FGADHO CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159051007 495646568 /nfs/dbraw/zinc/64/65/68/495646568.db2.gz PAGYDDLZOMVGHJ-NRFANRHFSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662470 495668681 /nfs/dbraw/zinc/66/86/81/495668681.db2.gz PMHBHDDFSJMMFT-BQFCYCMXSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662470 495668684 /nfs/dbraw/zinc/66/86/84/495668684.db2.gz PMHBHDDFSJMMFT-BQFCYCMXSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185662470 495668686 /nfs/dbraw/zinc/66/86/86/495668686.db2.gz PMHBHDDFSJMMFT-BQFCYCMXSA-N 1 3 366.933 3.322 20 0 FGADHO COC(=O)c1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185692631 495682179 /nfs/dbraw/zinc/68/21/79/495682179.db2.gz JVPWWLPMFHNRJJ-FUHWJXTLSA-N 1 3 360.498 3.095 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1OC(F)F ZINC000150986134 495703165 /nfs/dbraw/zinc/70/31/65/495703165.db2.gz FCRFXFFRARFESQ-QGZVFWFLSA-N 1 3 355.473 3.355 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@]1(C)CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000151075448 495730739 /nfs/dbraw/zinc/73/07/39/495730739.db2.gz IDWVVDGRVDYMIP-VXKWHMMOSA-N 1 3 359.558 3.248 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630961 505801876 /nfs/dbraw/zinc/80/18/76/505801876.db2.gz QKBJZEMCRZVTHD-APWZRJJASA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630961 505801878 /nfs/dbraw/zinc/80/18/78/505801878.db2.gz QKBJZEMCRZVTHD-APWZRJJASA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000183564889 496032668 /nfs/dbraw/zinc/03/26/68/496032668.db2.gz XUHXRVJVXFONAA-HDICACEKSA-N 1 3 362.562 3.447 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000155713454 496043780 /nfs/dbraw/zinc/04/37/80/496043780.db2.gz IYZVOHCZMXBCGB-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717425 496044869 /nfs/dbraw/zinc/04/48/69/496044869.db2.gz DQMHKDYLQIELJM-LSDHHAIUSA-N 1 3 369.937 3.034 20 0 FGADHO CCc1noc(C2CCC([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000183747093 496101762 /nfs/dbraw/zinc/10/17/62/496101762.db2.gz URYVKSFQRFXDRD-MRLCAUJQSA-N 1 3 364.534 3.137 20 0 FGADHO CCn1cc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000156080924 496152750 /nfs/dbraw/zinc/15/27/50/496152750.db2.gz PEIJWZFYCQKWKM-LJQANCHMSA-N 1 3 355.530 3.156 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914243 496159282 /nfs/dbraw/zinc/15/92/82/496159282.db2.gz YMLGNGAEUSSFLZ-NRFANRHFSA-N 1 3 359.558 3.380 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180829674 496162695 /nfs/dbraw/zinc/16/26/95/496162695.db2.gz URPBMKPNDKOLID-HIFRSBDPSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180829674 496162703 /nfs/dbraw/zinc/16/27/03/496162703.db2.gz URPBMKPNDKOLID-HIFRSBDPSA-N 1 3 368.319 3.158 20 0 FGADHO CC1(C)OCc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000186834406 496173366 /nfs/dbraw/zinc/17/33/66/496173366.db2.gz HQNJDSMCMYEXQN-UHFFFAOYSA-N 1 3 374.525 3.409 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000161629663 496211127 /nfs/dbraw/zinc/21/11/27/496211127.db2.gz WOALXMLFMNDIBY-AEFFLSMTSA-N 1 3 372.557 3.258 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000152681299 496224052 /nfs/dbraw/zinc/22/40/52/496224052.db2.gz BSQJOAOCVMVOMQ-UHFFFAOYSA-N 1 3 370.585 3.136 20 0 FGADHO O=C(C1CC[NH+](CCCN2CCCCC2)CC1)N1CCc2ccccc21 ZINC000161726907 496228941 /nfs/dbraw/zinc/22/89/41/496228941.db2.gz BCFRYYPMHUPJNM-UHFFFAOYSA-N 1 3 355.526 3.164 20 0 FGADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184189308 496278744 /nfs/dbraw/zinc/27/87/44/496278744.db2.gz JORZDQKZYOTEEG-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178003531 496283518 /nfs/dbraw/zinc/28/35/18/496283518.db2.gz DOPFKBCDTNVYFW-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO CC[C@H](C)[C@@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000175412869 496380281 /nfs/dbraw/zinc/38/02/81/496380281.db2.gz LGXJKMVRQQAKEF-DLBZAZTESA-N 1 3 364.578 3.154 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184508912 496416978 /nfs/dbraw/zinc/41/69/78/496416978.db2.gz FLCIECBTSZTYKH-CABCVRRESA-N 1 3 352.910 3.306 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000184508912 496416985 /nfs/dbraw/zinc/41/69/85/496416985.db2.gz FLCIECBTSZTYKH-CABCVRRESA-N 1 3 352.910 3.306 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000172771726 496423750 /nfs/dbraw/zinc/42/37/50/496423750.db2.gz SAKBKOCTYZTENI-UHFFFAOYSA-N 1 3 351.579 3.229 20 0 FGADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000178354127 496425353 /nfs/dbraw/zinc/42/53/53/496425353.db2.gz UGTFDTVQOGNVBZ-UHFFFAOYSA-N 1 3 368.319 3.240 20 0 FGADHO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000178414626 496448172 /nfs/dbraw/zinc/44/81/72/496448172.db2.gz LRCQVPKZCBHNHZ-OAHLLOKOSA-N 1 3 358.555 3.358 20 0 FGADHO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178443647 496459047 /nfs/dbraw/zinc/45/90/47/496459047.db2.gz HHICXLQXQOGKNG-UZLBHIALSA-N 1 3 358.482 3.020 20 0 FGADHO COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443647 496459050 /nfs/dbraw/zinc/45/90/50/496459050.db2.gz HHICXLQXQOGKNG-UZLBHIALSA-N 1 3 358.482 3.020 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C)[C@@H]2C)CC1 ZINC000172864188 496465958 /nfs/dbraw/zinc/46/59/58/496465958.db2.gz YMHGHIUIAAFTKL-HKUYNNGSSA-N 1 3 357.542 3.196 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000157502504 496489614 /nfs/dbraw/zinc/48/96/14/496489614.db2.gz XRXAIVCRRGVYPV-JOCHJYFZSA-N 1 3 372.557 3.024 20 0 FGADHO CSCC[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000181671236 496497076 /nfs/dbraw/zinc/49/70/76/496497076.db2.gz LKYDGFHNAMITBT-FQEVSTJZSA-N 1 3 371.550 3.112 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498264 /nfs/dbraw/zinc/49/82/64/496498264.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 1 3 356.436 3.097 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498268 /nfs/dbraw/zinc/49/82/68/496498268.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 1 3 356.436 3.097 20 0 FGADHO Cc1cc(NC(=O)CCNC2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747406 496516815 /nfs/dbraw/zinc/51/68/15/496516815.db2.gz CHBYDYVLUIBSCD-GWTOYCKXSA-N 1 3 370.497 3.058 20 0 FGADHO Cc1cc(NC(=O)CCNC2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747406 496516822 /nfs/dbraw/zinc/51/68/22/496516822.db2.gz CHBYDYVLUIBSCD-GWTOYCKXSA-N 1 3 370.497 3.058 20 0 FGADHO CCn1cc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000163926596 496570327 /nfs/dbraw/zinc/57/03/27/496570327.db2.gz HQXWXHYEZUCGHW-FQEVSTJZSA-N 1 3 369.557 3.152 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1OC(F)F ZINC000571959907 505855250 /nfs/dbraw/zinc/85/52/50/505855250.db2.gz HUPWSZMXRNRGDW-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1OC(F)F ZINC000571959907 505855251 /nfs/dbraw/zinc/85/52/51/505855251.db2.gz HUPWSZMXRNRGDW-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1CC1CC[NH2+]CC1 ZINC000178958906 496630049 /nfs/dbraw/zinc/63/00/49/496630049.db2.gz HBXBQMUIFYJOPZ-MRXNPFEDSA-N 1 3 356.297 3.396 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000185036755 496632297 /nfs/dbraw/zinc/63/22/97/496632297.db2.gz NIOSSLSWWWYDFG-IBGZPJMESA-N 1 3 366.571 3.259 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(Br)c1 ZINC000173391466 496672813 /nfs/dbraw/zinc/67/28/13/496672813.db2.gz GMPYKDNIURNOAN-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](N)CCSC)ccc21 ZINC000166167593 496678551 /nfs/dbraw/zinc/67/85/51/496678551.db2.gz XHMQMDQRGOEVSW-KRWDZBQOSA-N 1 3 362.543 3.002 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166243753 496681188 /nfs/dbraw/zinc/68/11/88/496681188.db2.gz UJDLJEJPIWIPOK-HNNXBMFYSA-N 1 3 359.436 3.189 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414053 496682923 /nfs/dbraw/zinc/68/29/23/496682923.db2.gz XWQOPLREEPZNLB-RLLQIKCJSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414053 496682928 /nfs/dbraw/zinc/68/29/28/496682928.db2.gz XWQOPLREEPZNLB-RLLQIKCJSA-N 1 3 360.546 3.194 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1F ZINC000580888247 505861972 /nfs/dbraw/zinc/86/19/72/505861972.db2.gz KFVAKYDIZZQOOQ-FQEVSTJZSA-N 1 3 364.505 3.090 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000580882047 505860132 /nfs/dbraw/zinc/86/01/32/505860132.db2.gz JAIOHGXTFFMBHQ-LEWJYISDSA-N 1 3 368.525 3.355 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000580882047 505860133 /nfs/dbraw/zinc/86/01/33/505860133.db2.gz JAIOHGXTFFMBHQ-LEWJYISDSA-N 1 3 368.525 3.355 20 0 FGADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000182269903 496723869 /nfs/dbraw/zinc/72/38/69/496723869.db2.gz NOSQITMXGSLBEC-KXBFYZLASA-N 1 3 358.457 3.252 20 0 FGADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000182269903 496723870 /nfs/dbraw/zinc/72/38/70/496723870.db2.gz NOSQITMXGSLBEC-KXBFYZLASA-N 1 3 358.457 3.252 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2CCN(C)CC2)C1 ZINC000273254294 496754271 /nfs/dbraw/zinc/75/42/71/496754271.db2.gz WQPYKRMOAXUPLL-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2CCN(C)CC2)C1 ZINC000273254294 496754275 /nfs/dbraw/zinc/75/42/75/496754275.db2.gz WQPYKRMOAXUPLL-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380745 496788656 /nfs/dbraw/zinc/78/86/56/496788656.db2.gz IBRCIZOCDJJWFR-ZWKOTPCHSA-N 1 3 354.560 3.257 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000268803004 496791150 /nfs/dbraw/zinc/79/11/50/496791150.db2.gz KXSXVEWQRCFGNI-UHFFFAOYSA-N 1 3 371.569 3.201 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140742 496791938 /nfs/dbraw/zinc/79/19/38/496791938.db2.gz SHWBERJFESXBDR-GHTZIAJQSA-N 1 3 369.509 3.359 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000268877559 496811338 /nfs/dbraw/zinc/81/13/38/496811338.db2.gz FBMRHNDQEUHZOW-ZDUSSCGKSA-N 1 3 350.894 3.059 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000247324563 496835412 /nfs/dbraw/zinc/83/54/12/496835412.db2.gz LTDOROZUKUZTET-MOPGFXCFSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000247324563 496835414 /nfs/dbraw/zinc/83/54/14/496835414.db2.gz LTDOROZUKUZTET-MOPGFXCFSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]1C[C@@H](NCc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961827 496835840 /nfs/dbraw/zinc/83/58/40/496835840.db2.gz XTCPJGYRICDQOZ-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@@H](NCc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961827 496835844 /nfs/dbraw/zinc/83/58/44/496835844.db2.gz XTCPJGYRICDQOZ-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000268976383 496841043 /nfs/dbraw/zinc/84/10/43/496841043.db2.gz BSUNOSSQXKVJCB-LSWJPFSZSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980233 496841299 /nfs/dbraw/zinc/84/12/99/496841299.db2.gz CSKPNLCSNVMDEM-ROUUACIJSA-N 1 3 354.498 3.024 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655041 496842412 /nfs/dbraw/zinc/84/24/12/496842412.db2.gz ZIOOLZIVPUZFSH-NRFANRHFSA-N 1 3 355.526 3.032 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(CC)C[C@H]3C)CC2)cs1 ZINC000247979352 496937594 /nfs/dbraw/zinc/93/75/94/496937594.db2.gz IETMZUHPKHEASP-APWZRJJASA-N 1 3 364.603 3.237 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000195746439 496963609 /nfs/dbraw/zinc/96/36/09/496963609.db2.gz AQEIPXCERJYYFD-CTNGQTDRSA-N 1 3 372.557 3.306 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000189159606 497027713 /nfs/dbraw/zinc/02/77/13/497027713.db2.gz HKMIQPPDOZPUNN-FQEVSTJZSA-N 1 3 360.546 3.115 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543550 497034756 /nfs/dbraw/zinc/03/47/56/497034756.db2.gz CNXCTTLTEWITGR-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543550 497034757 /nfs/dbraw/zinc/03/47/57/497034757.db2.gz CNXCTTLTEWITGR-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248543550 497034759 /nfs/dbraw/zinc/03/47/59/497034759.db2.gz CNXCTTLTEWITGR-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584265 497048488 /nfs/dbraw/zinc/04/84/88/497048488.db2.gz PMHBHDDFSJMMFT-LZLYRXPVSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584265 497048496 /nfs/dbraw/zinc/04/84/96/497048496.db2.gz PMHBHDDFSJMMFT-LZLYRXPVSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000248584265 497048501 /nfs/dbraw/zinc/04/85/01/497048501.db2.gz PMHBHDDFSJMMFT-LZLYRXPVSA-N 1 3 366.933 3.322 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788005 497104773 /nfs/dbraw/zinc/10/47/73/497104773.db2.gz IMXKNWNOYMPLNX-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000236660180 497128660 /nfs/dbraw/zinc/12/86/60/497128660.db2.gz XVIZDCKCHBBOCX-DWLFOUALSA-N 1 3 371.569 3.211 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236730561 497139708 /nfs/dbraw/zinc/13/97/08/497139708.db2.gz PTOIHTSQYYPNOL-IAGOWNOFSA-N 1 3 361.555 3.027 20 0 FGADHO CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744905 497140495 /nfs/dbraw/zinc/14/04/95/497140495.db2.gz RFLPHAZBGKUGLE-RTWAWAEBSA-N 1 3 369.553 3.279 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974378 497142741 /nfs/dbraw/zinc/14/27/41/497142741.db2.gz HHBAEKFGIDIMMO-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](NCCc1cn2c(n1)SCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763089 497159826 /nfs/dbraw/zinc/15/98/26/497159826.db2.gz KQRDDBCHZZVSJI-WMZOPIPTSA-N 1 3 356.539 3.032 20 0 FGADHO C[C@H](NCCc1cn2c(n1)SCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763089 497159829 /nfs/dbraw/zinc/15/98/29/497159829.db2.gz KQRDDBCHZZVSJI-WMZOPIPTSA-N 1 3 356.539 3.032 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)c2)CC1 ZINC000249288637 497188308 /nfs/dbraw/zinc/18/83/08/497188308.db2.gz JUSYTSMOPFCOCC-KURKYZTESA-N 1 3 358.530 3.028 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705866 497190446 /nfs/dbraw/zinc/19/04/46/497190446.db2.gz SHWDABFBXAVPPO-HSZRJFAPSA-N 1 3 364.537 3.471 20 0 FGADHO COc1ccc(C[C@@H](C)C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192781032 497212580 /nfs/dbraw/zinc/21/25/80/497212580.db2.gz JPNOEFOWHYHIMQ-HXUWFJFHSA-N 1 3 361.574 3.222 20 0 FGADHO COc1ccc(C[C@@H](C)C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192781032 497212586 /nfs/dbraw/zinc/21/25/86/497212586.db2.gz JPNOEFOWHYHIMQ-HXUWFJFHSA-N 1 3 361.574 3.222 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000249759866 497243859 /nfs/dbraw/zinc/24/38/59/497243859.db2.gz FXWKIGPZYNSPGJ-MOPGFXCFSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000249759866 497243866 /nfs/dbraw/zinc/24/38/66/497243866.db2.gz FXWKIGPZYNSPGJ-MOPGFXCFSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924050 497246964 /nfs/dbraw/zinc/24/69/64/497246964.db2.gz OVBUNKMTJZDBAA-NRFANRHFSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924050 497246971 /nfs/dbraw/zinc/24/69/71/497246971.db2.gz OVBUNKMTJZDBAA-NRFANRHFSA-N 1 3 361.493 3.187 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922130 497247085 /nfs/dbraw/zinc/24/70/85/497247085.db2.gz PVNKFCPJUAGDJZ-SFHVURJKSA-N 1 3 370.493 3.324 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000189872901 497275784 /nfs/dbraw/zinc/27/57/84/497275784.db2.gz XOSCWQMDAUDXDH-CTNGQTDRSA-N 1 3 374.573 3.413 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000237727899 497282868 /nfs/dbraw/zinc/28/28/68/497282868.db2.gz PTKQTFLJJCRXLC-NRFANRHFSA-N 1 3 351.494 3.166 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N(CC)CC ZINC000271701636 497423444 /nfs/dbraw/zinc/42/34/44/497423444.db2.gz HNEOTMRXWGKLBO-HXUWFJFHSA-N 1 3 360.546 3.276 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccccc2)s1 ZINC000271750070 497438027 /nfs/dbraw/zinc/43/80/27/497438027.db2.gz YHQKVCPNSMJVLX-UHFFFAOYSA-N 1 3 358.555 3.268 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000245595735 497468922 /nfs/dbraw/zinc/46/89/22/497468922.db2.gz BTWJFCHXTIWBPA-BRWVUGGUSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000245595735 497468928 /nfs/dbraw/zinc/46/89/28/497468928.db2.gz BTWJFCHXTIWBPA-BRWVUGGUSA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245607343 497471351 /nfs/dbraw/zinc/47/13/51/497471351.db2.gz APLNWQAHUUAZEA-NRSPTQNISA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245607343 497471356 /nfs/dbraw/zinc/47/13/56/497471356.db2.gz APLNWQAHUUAZEA-NRSPTQNISA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245767651 497533973 /nfs/dbraw/zinc/53/39/73/497533973.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767651 497533980 /nfs/dbraw/zinc/53/39/80/497533980.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767651 497533984 /nfs/dbraw/zinc/53/39/84/497533984.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 1 3 371.569 3.128 20 0 FGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245849136 497549710 /nfs/dbraw/zinc/54/97/10/497549710.db2.gz GARLKEJVWVKZJZ-YPAWHYETSA-N 1 3 371.569 3.382 20 0 FGADHO CN(c1ccccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000245923951 497572469 /nfs/dbraw/zinc/57/24/69/497572469.db2.gz HJUBYRLHBXQXTD-DENIHFKCSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000245923951 497572471 /nfs/dbraw/zinc/57/24/71/497572471.db2.gz HJUBYRLHBXQXTD-DENIHFKCSA-N 1 3 359.558 3.200 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000276453227 497578116 /nfs/dbraw/zinc/57/81/16/497578116.db2.gz LXJFZBUIBZDMHA-LEWJYISDSA-N 1 3 366.509 3.358 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657852 497593217 /nfs/dbraw/zinc/59/32/17/497593217.db2.gz VRIZSFKEYWYDGX-PZJWPPBQSA-N 1 3 371.569 3.383 20 0 FGADHO C[C@@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000262659765 497594555 /nfs/dbraw/zinc/59/45/55/497594555.db2.gz NJWPZSOZPLNYFJ-SFHVURJKSA-N 1 3 357.542 3.135 20 0 FGADHO Fc1cccnc1OCCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131329 505916869 /nfs/dbraw/zinc/91/68/69/505916869.db2.gz PAWUFWXDNPMCEU-SFHVURJKSA-N 1 3 355.457 3.386 20 0 FGADHO Fc1cccnc1OCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131329 505916872 /nfs/dbraw/zinc/91/68/72/505916872.db2.gz PAWUFWXDNPMCEU-SFHVURJKSA-N 1 3 355.457 3.386 20 0 FGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390034 497616018 /nfs/dbraw/zinc/61/60/18/497616018.db2.gz ISKBOIWIFNERMF-PZJWPPBQSA-N 1 3 370.541 3.273 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccccc1OCc1cccnc1 ZINC000267847680 497629668 /nfs/dbraw/zinc/62/96/68/497629668.db2.gz DKSBIWFKQOYFJM-FQEVSTJZSA-N 1 3 357.498 3.107 20 0 FGADHO CNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272463084 497634640 /nfs/dbraw/zinc/63/46/40/497634640.db2.gz KPEAEMZLYSJHTE-DYESRHJHSA-N 1 3 351.494 3.046 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272550643 497658601 /nfs/dbraw/zinc/65/86/01/497658601.db2.gz FENQLWKXDRZVPL-RBBKRZOGSA-N 1 3 371.569 3.132 20 0 FGADHO COc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272557264 497662068 /nfs/dbraw/zinc/66/20/68/497662068.db2.gz TZLBUWSBPRRTBG-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557264 497662071 /nfs/dbraw/zinc/66/20/71/497662071.db2.gz TZLBUWSBPRRTBG-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557264 497662075 /nfs/dbraw/zinc/66/20/75/497662075.db2.gz TZLBUWSBPRRTBG-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC2(C)CC[NH+](C)CC2)c1 ZINC000272587427 497671759 /nfs/dbraw/zinc/67/17/59/497671759.db2.gz QMUKWCWFMKHIKQ-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(N(C)CCOC)nc1 ZINC000276860028 497673077 /nfs/dbraw/zinc/67/30/77/497673077.db2.gz AQGSZSZYOYFXBY-UHFFFAOYSA-N 1 3 370.541 3.296 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000194470644 497677701 /nfs/dbraw/zinc/67/77/01/497677701.db2.gz HWTYPHWPBYPBCD-OAQYLSRUSA-N 1 3 372.557 3.115 20 0 FGADHO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000246376282 497713272 /nfs/dbraw/zinc/71/32/72/497713272.db2.gz JSPASEWFMFRLMN-QRFRQXIXSA-N 1 3 364.555 3.332 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246444860 497736396 /nfs/dbraw/zinc/73/63/96/497736396.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246444860 497736402 /nfs/dbraw/zinc/73/64/02/497736402.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N(C)C)cc1 ZINC000263232149 497738505 /nfs/dbraw/zinc/73/85/05/497738505.db2.gz IMDUROSJYQDNNC-HYUQFDPSSA-N 1 3 357.542 3.122 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000268452709 497754841 /nfs/dbraw/zinc/75/48/41/497754841.db2.gz WHKKFESRGITVKO-UHFFFAOYSA-N 1 3 362.848 3.266 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263310247 497754994 /nfs/dbraw/zinc/75/49/94/497754994.db2.gz YLRXVWMQYKYJJI-AZUAARDMSA-N 1 3 361.555 3.124 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)CC2 ZINC000246533975 497766521 /nfs/dbraw/zinc/76/65/21/497766521.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)CC2 ZINC000246533975 497766523 /nfs/dbraw/zinc/76/65/23/497766523.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 1 3 372.557 3.164 20 0 FGADHO CN(c1ccccc1C[NH+]1CCC(CCCO)CC1)C1CCN(C)CC1 ZINC000272960111 497771667 /nfs/dbraw/zinc/77/16/67/497771667.db2.gz PRRACPNEJGMOEB-UHFFFAOYSA-N 1 3 359.558 3.202 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273173816 497806480 /nfs/dbraw/zinc/80/64/80/497806480.db2.gz FJBJBGBOZMAEOR-UHFFFAOYSA-N 1 3 361.555 3.214 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246825593 497814033 /nfs/dbraw/zinc/81/40/33/497814033.db2.gz AEZNJUXZZSOCFY-BRWVUGGUSA-N 1 3 365.493 3.022 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000246924735 497820408 /nfs/dbraw/zinc/82/04/08/497820408.db2.gz GQCIQDHXRUBPRY-FGTMMUONSA-N 1 3 362.514 3.388 20 0 FGADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000581239969 505941187 /nfs/dbraw/zinc/94/11/87/505941187.db2.gz ULRFSUXCUSPKMZ-GOSISDBHSA-N 1 3 358.873 3.368 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242583 505950007 /nfs/dbraw/zinc/95/00/07/505950007.db2.gz VFXZGOCMBSCHLH-BMGDILEWSA-N 1 3 360.452 3.393 20 0 FGADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000581340091 505965153 /nfs/dbraw/zinc/96/51/53/505965153.db2.gz DOUBVKZKGPCQPH-BHDDXSALSA-N 1 3 352.526 3.243 20 0 FGADHO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(CN3CCCCC3)cc1)CC2 ZINC000364651525 498069290 /nfs/dbraw/zinc/06/92/90/498069290.db2.gz QBGDUYIOACIOFB-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C[N@H+]1CCCC12CCN(C(=O)c1ccc(CN3CCCCC3)cc1)CC2 ZINC000364651525 498069297 /nfs/dbraw/zinc/06/92/97/498069297.db2.gz QBGDUYIOACIOFB-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO c1ccc(CN2CCSC[C@H]2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000569651454 505984111 /nfs/dbraw/zinc/98/41/11/505984111.db2.gz YBCTYBOEGQNINP-OAQYLSRUSA-N 1 3 359.583 3.068 20 0 FGADHO c1ccc(CN2CCSC[C@H]2C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000569651454 505984116 /nfs/dbraw/zinc/98/41/16/505984116.db2.gz YBCTYBOEGQNINP-OAQYLSRUSA-N 1 3 359.583 3.068 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000569753358 506007652 /nfs/dbraw/zinc/00/76/52/506007652.db2.gz BNEZUCODUYXYDP-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000360384967 498270813 /nfs/dbraw/zinc/27/08/13/498270813.db2.gz JXWVOXMIWKGAQF-IERDGZPVSA-N 1 3 352.526 3.314 20 0 FGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000286098175 498291736 /nfs/dbraw/zinc/29/17/36/498291736.db2.gz NCZSYEMANOQEGQ-HNNXBMFYSA-N 1 3 353.466 3.320 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000286098175 498291744 /nfs/dbraw/zinc/29/17/44/498291744.db2.gz NCZSYEMANOQEGQ-HNNXBMFYSA-N 1 3 353.466 3.320 20 0 FGADHO C[C@@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931863 498357410 /nfs/dbraw/zinc/35/74/10/498357410.db2.gz YYQHILXDSZZQSS-CMCXCUNFSA-N 1 3 368.525 3.140 20 0 FGADHO C[C@@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289931863 498357415 /nfs/dbraw/zinc/35/74/15/498357415.db2.gz YYQHILXDSZZQSS-CMCXCUNFSA-N 1 3 368.525 3.140 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717828 498423366 /nfs/dbraw/zinc/42/33/66/498423366.db2.gz ITPHAGZPJNCUSG-WRWLIDTKSA-N 1 3 363.571 3.273 20 0 FGADHO C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703698 498541607 /nfs/dbraw/zinc/54/16/07/498541607.db2.gz RROONGSNKBSZOW-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703698 498541614 /nfs/dbraw/zinc/54/16/14/498541614.db2.gz RROONGSNKBSZOW-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000569940063 506052929 /nfs/dbraw/zinc/05/29/29/506052929.db2.gz UKQUGYUEYKITQK-DYVFJYSZSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000569940063 506052930 /nfs/dbraw/zinc/05/29/30/506052930.db2.gz UKQUGYUEYKITQK-DYVFJYSZSA-N 1 3 357.420 3.402 20 0 FGADHO CC(C)[C@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000365614361 498558332 /nfs/dbraw/zinc/55/83/32/498558332.db2.gz GJIPEUCAZRJLKQ-JOCHJYFZSA-N 1 3 359.558 3.057 20 0 FGADHO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000365614361 498558334 /nfs/dbraw/zinc/55/83/34/498558334.db2.gz GJIPEUCAZRJLKQ-JOCHJYFZSA-N 1 3 359.558 3.057 20 0 FGADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000290451608 498558986 /nfs/dbraw/zinc/55/89/86/498558986.db2.gz SXBKORHNVUBPJW-PMACEKPBSA-N 1 3 370.493 3.062 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000362891508 498574151 /nfs/dbraw/zinc/57/41/51/498574151.db2.gz WPEGGXWABCHCID-HKUYNNGSSA-N 1 3 363.933 3.181 20 0 FGADHO CN1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000362891509 498574994 /nfs/dbraw/zinc/57/49/94/498574994.db2.gz WPEGGXWABCHCID-MJGOQNOKSA-N 1 3 363.933 3.181 20 0 FGADHO C[C@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519702 498582287 /nfs/dbraw/zinc/58/22/87/498582287.db2.gz XMSGLBUSGOQDDP-CYJAXWMASA-N 1 3 359.539 3.443 20 0 FGADHO CN(CCCN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1)Cc1ccco1 ZINC000286999012 498585364 /nfs/dbraw/zinc/58/53/64/498585364.db2.gz TYHHYJWPGMMICW-UHFFFAOYSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638609 /nfs/dbraw/zinc/63/86/09/498638609.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638619 /nfs/dbraw/zinc/63/86/19/498638619.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639359 /nfs/dbraw/zinc/63/93/59/498639359.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639362 /nfs/dbraw/zinc/63/93/62/498639362.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000581824492 506068414 /nfs/dbraw/zinc/06/84/14/506068414.db2.gz MULHUJFFPFNEEX-CHWSQXEVSA-N 1 3 368.909 3.060 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366001224 498726264 /nfs/dbraw/zinc/72/62/64/498726264.db2.gz NUFVMKNMCIRPCO-DNVCBOLYSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000366001224 498726271 /nfs/dbraw/zinc/72/62/71/498726271.db2.gz NUFVMKNMCIRPCO-DNVCBOLYSA-N 1 3 357.523 3.233 20 0 FGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287597745 498809379 /nfs/dbraw/zinc/80/93/79/498809379.db2.gz ILEIEMBDGBXZLN-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C/C(=C\c1ccccc1)CNCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000363535185 498867313 /nfs/dbraw/zinc/86/73/13/498867313.db2.gz QAQLLHDUUHGONF-OBGWFSINSA-N 1 3 367.541 3.064 20 0 FGADHO C/C(=C\c1ccccc1)CNCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000363535185 498867318 /nfs/dbraw/zinc/86/73/18/498867318.db2.gz QAQLLHDUUHGONF-OBGWFSINSA-N 1 3 367.541 3.064 20 0 FGADHO C[NH+](C)CCOCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000576218170 506104829 /nfs/dbraw/zinc/10/48/29/506104829.db2.gz LIHYJASWLIWVFL-MRXNPFEDSA-N 1 3 363.502 3.494 20 0 FGADHO CN1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324462 498874457 /nfs/dbraw/zinc/87/44/57/498874457.db2.gz AXZPMEWSEVEKRG-QFBILLFUSA-N 1 3 351.922 3.358 20 0 FGADHO C[N@@H+]1CC[C@@]2(CCN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968813 /nfs/dbraw/zinc/96/88/13/498968813.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CC[C@@]2(CCN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968814 /nfs/dbraw/zinc/96/88/14/498968814.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 1 3 351.535 3.051 20 0 FGADHO C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367029916 499136000 /nfs/dbraw/zinc/13/60/00/499136000.db2.gz OGTWCDWEFHIRTM-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367029916 499136002 /nfs/dbraw/zinc/13/60/02/499136002.db2.gz OGTWCDWEFHIRTM-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1CN(CCSc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367029916 499136004 /nfs/dbraw/zinc/13/60/04/499136004.db2.gz OGTWCDWEFHIRTM-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO COC(=O)N1CCC(C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000367518601 499208159 /nfs/dbraw/zinc/20/81/59/499208159.db2.gz JIKQGLDLDZFNLX-UHFFFAOYSA-N 1 3 351.535 3.099 20 0 FGADHO C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370669939 499242484 /nfs/dbraw/zinc/24/24/84/499242484.db2.gz SWEWNPBHMVMPKV-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[N@H+](CCC(=O)Nc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000367907206 499243954 /nfs/dbraw/zinc/24/39/54/499243954.db2.gz SUKILFBLNZJZQP-UHFFFAOYSA-N 1 3 352.482 3.259 20 0 FGADHO C[N@@H+](CCC(=O)Nc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000367907206 499243955 /nfs/dbraw/zinc/24/39/55/499243955.db2.gz SUKILFBLNZJZQP-UHFFFAOYSA-N 1 3 352.482 3.259 20 0 FGADHO Cn1cc(-c2ccccc2CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197491 506140849 /nfs/dbraw/zinc/14/08/49/506140849.db2.gz DBVQSQJAKYYGMK-GGAORHGYSA-N 1 3 374.488 3.433 20 0 FGADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000570322192 506141763 /nfs/dbraw/zinc/14/17/63/506141763.db2.gz ZYSNBWFNYQOHTF-NSHDSACASA-N 1 3 368.312 3.299 20 0 FGADHO C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007209 499279741 /nfs/dbraw/zinc/27/97/41/499279741.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007209 499279742 /nfs/dbraw/zinc/27/97/42/499279742.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 1 3 372.557 3.021 20 0 FGADHO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000368305056 499283871 /nfs/dbraw/zinc/28/38/71/499283871.db2.gz RWMKGSSBNNKYOQ-UHFFFAOYSA-N 1 3 362.481 3.215 20 0 FGADHO C[N@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000368305056 499283873 /nfs/dbraw/zinc/28/38/73/499283873.db2.gz RWMKGSSBNNKYOQ-UHFFFAOYSA-N 1 3 362.481 3.215 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424829 499294688 /nfs/dbraw/zinc/29/46/88/499294688.db2.gz ALLAMIWCNAYNIV-LAUBAEHRSA-N 1 3 361.505 3.329 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)c2ccc(F)cc2C1 ZINC000368630970 499315865 /nfs/dbraw/zinc/31/58/65/499315865.db2.gz HOESACJAZDZKEK-IERDGZPVSA-N 1 3 361.505 3.331 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000375601431 499536972 /nfs/dbraw/zinc/53/69/72/499536972.db2.gz YPPNJJCXMKOECR-UHFFFAOYSA-N 1 3 372.601 3.348 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717842 499546175 /nfs/dbraw/zinc/54/61/75/499546175.db2.gz IHURDKMKNNCNSB-XSLAUPDRSA-N 1 3 355.526 3.030 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388342386 499550608 /nfs/dbraw/zinc/55/06/08/499550608.db2.gz NFXAGVKZRRGJBS-OAQYLSRUSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688291 499555250 /nfs/dbraw/zinc/55/52/50/499555250.db2.gz ZMYNRXFVWIXVOL-HJNYFJLDSA-N 1 3 359.558 3.178 20 0 FGADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000375862354 499563019 /nfs/dbraw/zinc/56/30/19/499563019.db2.gz RNRYSDJJYAHZOO-FKBYEOEOSA-N 1 3 357.542 3.176 20 0 FGADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000375862354 499563021 /nfs/dbraw/zinc/56/30/21/499563021.db2.gz RNRYSDJJYAHZOO-FKBYEOEOSA-N 1 3 357.542 3.176 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000397614884 499564667 /nfs/dbraw/zinc/56/46/67/499564667.db2.gz GOIUSWTUTHENID-SFTDATJTSA-N 1 3 372.553 3.341 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005778 499565754 /nfs/dbraw/zinc/56/57/54/499565754.db2.gz QFCUZXPTFDEJTG-COPCDDAFSA-N 1 3 365.521 3.493 20 0 FGADHO Cc1nccn1CCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000409446121 499596516 /nfs/dbraw/zinc/59/65/16/499596516.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 1 3 352.526 3.426 20 0 FGADHO Cc1nccn1CCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000409446121 499596518 /nfs/dbraw/zinc/59/65/18/499596518.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 1 3 352.526 3.426 20 0 FGADHO c1cncc(-c2cnccc2N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000376410125 499606645 /nfs/dbraw/zinc/60/66/45/499606645.db2.gz UGQJYXJFIYCXDC-UHFFFAOYSA-N 1 3 352.482 3.225 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCN2CCCCC2)C1 ZINC000410349822 499656900 /nfs/dbraw/zinc/65/69/00/499656900.db2.gz HGMMNBNICAHIKQ-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCN2CCCCC2)C1 ZINC000410349822 499656902 /nfs/dbraw/zinc/65/69/02/499656902.db2.gz HGMMNBNICAHIKQ-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@H]1CN(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192620 499709391 /nfs/dbraw/zinc/70/93/91/499709391.db2.gz RMMXJKQUKNPGAV-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377805788 499736947 /nfs/dbraw/zinc/73/69/47/499736947.db2.gz XWIQPELNMHJUOG-VDZJLULYSA-N 1 3 367.493 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377805788 499736949 /nfs/dbraw/zinc/73/69/49/499736949.db2.gz XWIQPELNMHJUOG-VDZJLULYSA-N 1 3 367.493 3.051 20 0 FGADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000411451086 499742063 /nfs/dbraw/zinc/74/20/63/499742063.db2.gz UTZNCQQKQSNAHB-GOSISDBHSA-N 1 3 351.922 3.370 20 0 FGADHO CC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411455467 499742680 /nfs/dbraw/zinc/74/26/80/499742680.db2.gz JEQGAICUDYQULP-SFHVURJKSA-N 1 3 351.922 3.370 20 0 FGADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000411461328 499743510 /nfs/dbraw/zinc/74/35/10/499743510.db2.gz ISWFERZBSCMEIR-UHFFFAOYSA-N 1 3 359.558 3.409 20 0 FGADHO CCCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000411467322 499744413 /nfs/dbraw/zinc/74/44/13/499744413.db2.gz XHCFHPKWMKNJGV-FQEVSTJZSA-N 1 3 361.530 3.117 20 0 FGADHO CN(C)C(=O)CC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411492065 499747210 /nfs/dbraw/zinc/74/72/10/499747210.db2.gz BYFZKMYSGAYMMD-UHFFFAOYSA-N 1 3 357.542 3.363 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000411494169 499747480 /nfs/dbraw/zinc/74/74/80/499747480.db2.gz ZSAXXDYVXYPMED-OAQYLSRUSA-N 1 3 357.542 3.497 20 0 FGADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000414252097 499771689 /nfs/dbraw/zinc/77/16/89/499771689.db2.gz AQOUZVPVKHKEFF-IFMALSPDSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655507 499773649 /nfs/dbraw/zinc/77/36/49/499773649.db2.gz KPSFNMKHGCJNJQ-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342337 499779251 /nfs/dbraw/zinc/77/92/51/499779251.db2.gz PEJUZXZCSAHVGK-LLGFUMIMSA-N 1 3 357.542 3.298 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340313 499779365 /nfs/dbraw/zinc/77/93/65/499779365.db2.gz GVONVCFCXICUTL-DSKINZAPSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340313 499779367 /nfs/dbraw/zinc/77/93/67/499779367.db2.gz GVONVCFCXICUTL-DSKINZAPSA-N 1 3 363.521 3.131 20 0 FGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414549482 499807006 /nfs/dbraw/zinc/80/70/06/499807006.db2.gz ASDIYKSUHWCEJF-DYESRHJHSA-N 1 3 357.542 3.300 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414797206 499832195 /nfs/dbraw/zinc/83/21/95/499832195.db2.gz IHHULTKWXORASK-HFTRVMKXSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414797206 499832197 /nfs/dbraw/zinc/83/21/97/499832197.db2.gz IHHULTKWXORASK-HFTRVMKXSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)N ZINC000414798154 499832672 /nfs/dbraw/zinc/83/26/72/499832672.db2.gz FFFJNYBIZMEMBC-SECBINFHSA-N 1 3 351.800 3.403 20 0 FGADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414810853 499833484 /nfs/dbraw/zinc/83/34/84/499833484.db2.gz OTPSAMVZVGXNAF-GFCCVEGCSA-N 1 3 361.408 3.409 20 0 FGADHO COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)CC[NH3+])cc1 ZINC000414889856 499841986 /nfs/dbraw/zinc/84/19/86/499841986.db2.gz GSBHKTAMALATNZ-INIZCTEOSA-N 1 3 350.466 3.375 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906084 499843538 /nfs/dbraw/zinc/84/35/38/499843538.db2.gz LZEWMCSCZDDHTR-GUYCJALGSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906084 499843539 /nfs/dbraw/zinc/84/35/39/499843539.db2.gz LZEWMCSCZDDHTR-GUYCJALGSA-N 1 3 368.319 3.146 20 0 FGADHO Brc1cccc(-c2c[nH]c(CNCCC[C@H]3CCC[NH2+]3)n2)c1 ZINC000414967100 499849906 /nfs/dbraw/zinc/84/99/06/499849906.db2.gz GVPDIHBMMHSDRZ-HNNXBMFYSA-N 1 3 363.303 3.461 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004495 499854053 /nfs/dbraw/zinc/85/40/53/499854053.db2.gz OGAJXYKSZNZBQL-WFASDCNBSA-N 1 3 363.303 3.446 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063162 499860083 /nfs/dbraw/zinc/86/00/83/499860083.db2.gz GXETYASQTKCRPW-LRDDRELGSA-N 1 3 353.894 3.173 20 0 FGADHO FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCCNCC3)CCOCC2)c1 ZINC000415093479 499862734 /nfs/dbraw/zinc/86/27/34/499862734.db2.gz VIDUUFSDCRUNSJ-KRWDZBQOSA-N 1 3 356.432 3.485 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@H]3CCC[NH2+]CC3)CCOCC2)c1 ZINC000415093479 499862735 /nfs/dbraw/zinc/86/27/35/499862735.db2.gz VIDUUFSDCRUNSJ-KRWDZBQOSA-N 1 3 356.432 3.485 20 0 FGADHO C[C@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133345 499868597 /nfs/dbraw/zinc/86/85/97/499868597.db2.gz VBXYAQQZSQMUOW-DZGCQCFKSA-N 1 3 352.404 3.308 20 0 FGADHO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415306151 499885079 /nfs/dbraw/zinc/88/50/79/499885079.db2.gz HVIOAHIMKBHKFK-GOSISDBHSA-N 1 3 374.529 3.205 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2)CC1 ZINC000415496444 499896626 /nfs/dbraw/zinc/89/66/26/499896626.db2.gz GXXTXQHWBOOFJC-INIZCTEOSA-N 1 3 367.497 3.492 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000415928797 499929600 /nfs/dbraw/zinc/92/96/00/499929600.db2.gz IFOGOIYAVHNUQG-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000415928956 499929777 /nfs/dbraw/zinc/92/97/77/499929777.db2.gz GKCWUTOAJOETTM-HXUWFJFHSA-N 1 3 370.497 3.229 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000415937069 499930646 /nfs/dbraw/zinc/93/06/46/499930646.db2.gz VHGYMYKOBZWOLW-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415960528 499933754 /nfs/dbraw/zinc/93/37/54/499933754.db2.gz PVVHTAHOFDNSKQ-UHFFFAOYSA-N 1 3 370.472 3.067 20 0 FGADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415960914 499933940 /nfs/dbraw/zinc/93/39/40/499933940.db2.gz CNUKUPZGGQMBFZ-BLLLJJGKSA-N 1 3 370.419 3.255 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000416004754 499940134 /nfs/dbraw/zinc/94/01/34/499940134.db2.gz HKRUNDUXWWNWQJ-FQEVSTJZSA-N 1 3 352.482 3.494 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429026177 499986960 /nfs/dbraw/zinc/98/69/60/499986960.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 1 3 360.542 3.060 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429026177 499986964 /nfs/dbraw/zinc/98/69/64/499986964.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 1 3 360.542 3.060 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092370 500001890 /nfs/dbraw/zinc/00/18/90/500001890.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092370 500001894 /nfs/dbraw/zinc/00/18/94/500001894.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 1 3 372.557 3.213 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208606 500006028 /nfs/dbraw/zinc/00/60/28/500006028.db2.gz BESBSOVHTODFLI-FPOVZHCZSA-N 1 3 372.557 3.149 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344123 500045562 /nfs/dbraw/zinc/04/55/62/500045562.db2.gz RSCZPZMEZQCFGV-YSIASYRMSA-N 1 3 370.566 3.437 20 0 FGADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417385304 500056328 /nfs/dbraw/zinc/05/63/28/500056328.db2.gz LYROTRDAGPGRGY-LWYYNNOASA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385304 500056331 /nfs/dbraw/zinc/05/63/31/500056331.db2.gz LYROTRDAGPGRGY-LWYYNNOASA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385304 500056333 /nfs/dbraw/zinc/05/63/33/500056333.db2.gz LYROTRDAGPGRGY-LWYYNNOASA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399395 500061382 /nfs/dbraw/zinc/06/13/82/500061382.db2.gz ZMZFDIBFPWYAQZ-MTQWCTHYSA-N 1 3 363.496 3.359 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399395 500061388 /nfs/dbraw/zinc/06/13/88/500061388.db2.gz ZMZFDIBFPWYAQZ-MTQWCTHYSA-N 1 3 363.496 3.359 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000417407326 500063950 /nfs/dbraw/zinc/06/39/50/500063950.db2.gz SKOOGLMSSAENSU-NRFANRHFSA-N 1 3 368.525 3.200 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000417407326 500063952 /nfs/dbraw/zinc/06/39/52/500063952.db2.gz SKOOGLMSSAENSU-NRFANRHFSA-N 1 3 368.525 3.200 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104172 /nfs/dbraw/zinc/10/41/72/500104172.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104175 /nfs/dbraw/zinc/10/41/75/500104175.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 1 3 357.542 3.150 20 0 FGADHO CN(C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808914 500125792 /nfs/dbraw/zinc/12/57/92/500125792.db2.gz PGELXDPLCUDFNL-PMACEKPBSA-N 1 3 354.498 3.069 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416833024 500132823 /nfs/dbraw/zinc/13/28/23/500132823.db2.gz QVYAQYOYMUQYPS-HXUWFJFHSA-N 1 3 354.498 3.012 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000582297290 506180077 /nfs/dbraw/zinc/18/00/77/506180077.db2.gz ZQONTFBMQYLEFP-QAPCUYQASA-N 1 3 358.448 3.463 20 0 FGADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414064341 500143283 /nfs/dbraw/zinc/14/32/83/500143283.db2.gz FOKSSDWJQKLVRM-IBGZPJMESA-N 1 3 367.541 3.082 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822051 500159653 /nfs/dbraw/zinc/15/96/53/500159653.db2.gz VOISZINBXBFRTF-INIZCTEOSA-N 1 3 355.929 3.417 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000417803987 500175836 /nfs/dbraw/zinc/17/58/36/500175836.db2.gz YEFXSIVKSRZXKP-RAFMOHDBSA-N 1 3 358.530 3.124 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000417803987 500175842 /nfs/dbraw/zinc/17/58/42/500175842.db2.gz YEFXSIVKSRZXKP-RAFMOHDBSA-N 1 3 358.530 3.124 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417843634 500182634 /nfs/dbraw/zinc/18/26/34/500182634.db2.gz QVEGVOIPQSECDR-DFQSSKMNSA-N 1 3 360.546 3.054 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012141 500184104 /nfs/dbraw/zinc/18/41/04/500184104.db2.gz VWFIMAWVMINTGK-IRXDYDNUSA-N 1 3 354.564 3.146 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892192 500192936 /nfs/dbraw/zinc/19/29/36/500192936.db2.gz RFWCSZPPHLSGPR-FXAWDEMLSA-N 1 3 360.546 3.087 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892192 500192937 /nfs/dbraw/zinc/19/29/37/500192937.db2.gz RFWCSZPPHLSGPR-FXAWDEMLSA-N 1 3 360.546 3.087 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892198 500193128 /nfs/dbraw/zinc/19/31/28/500193128.db2.gz RFWCSZPPHLSGPR-YLJYHZDGSA-N 1 3 360.546 3.087 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892198 500193130 /nfs/dbraw/zinc/19/31/30/500193130.db2.gz RFWCSZPPHLSGPR-YLJYHZDGSA-N 1 3 360.546 3.087 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000418025432 500215903 /nfs/dbraw/zinc/21/59/03/500215903.db2.gz DNCYUNXGLFBTAR-NRFANRHFSA-N 1 3 374.573 3.174 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CCC([NH+](C)C)CC1)N(C)C ZINC000422210966 500234823 /nfs/dbraw/zinc/23/48/23/500234823.db2.gz VXKLHGAVQZLMQH-USWSCHJFSA-N 1 3 360.546 3.158 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418153810 500237975 /nfs/dbraw/zinc/23/79/75/500237975.db2.gz JGQHCTYEAZPXEG-AQNXPRMDSA-N 1 3 372.557 3.104 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000418182722 500244306 /nfs/dbraw/zinc/24/43/06/500244306.db2.gz NGGRUTCXEWIKBG-PXNSSMCTSA-N 1 3 360.546 3.017 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183874 500244349 /nfs/dbraw/zinc/24/43/49/500244349.db2.gz OXZMRGMEKNJXEG-RHSMWYFYSA-N 1 3 354.926 3.150 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)N(CC)CC)cc1 ZINC000418221351 500251353 /nfs/dbraw/zinc/25/13/53/500251353.db2.gz VQTBGANQNOUBTI-ACRUOGEOSA-N 1 3 372.557 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)N(CC)CC)cc1 ZINC000418223746 500252085 /nfs/dbraw/zinc/25/20/85/500252085.db2.gz YZLLRCORUTZWBW-DBVUQKKJSA-N 1 3 360.546 3.011 20 0 FGADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000430620934 500262833 /nfs/dbraw/zinc/26/28/33/500262833.db2.gz IPPRLBYYHBLQRU-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CCNCC1 ZINC000430620934 500262835 /nfs/dbraw/zinc/26/28/35/500262835.db2.gz IPPRLBYYHBLQRU-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CCNCC1 ZINC000430620934 500262836 /nfs/dbraw/zinc/26/28/36/500262836.db2.gz IPPRLBYYHBLQRU-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000418343361 500265558 /nfs/dbraw/zinc/26/55/58/500265558.db2.gz FQFBLRQXUVAWPE-NRFANRHFSA-N 1 3 372.557 3.327 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000570519120 506186071 /nfs/dbraw/zinc/18/60/71/506186071.db2.gz BJTYYXJDYINTRL-NRFANRHFSA-N 1 3 372.557 3.444 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418471568 500280375 /nfs/dbraw/zinc/28/03/75/500280375.db2.gz RRSXSVJQNRTSJW-RBBKRZOGSA-N 1 3 372.557 3.202 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619436 500282138 /nfs/dbraw/zinc/28/21/38/500282138.db2.gz NHOUHLVCPYUZMJ-INIZCTEOSA-N 1 3 354.926 3.150 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497882 500284561 /nfs/dbraw/zinc/28/45/61/500284561.db2.gz IUORSRQUTJDLML-YADHBBJMSA-N 1 3 374.488 3.026 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000422640707 500285348 /nfs/dbraw/zinc/28/53/48/500285348.db2.gz VVVPNGQWUXXJDM-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640707 500285343 /nfs/dbraw/zinc/28/53/43/500285343.db2.gz VVVPNGQWUXXJDM-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000422640707 500285345 /nfs/dbraw/zinc/28/53/45/500285345.db2.gz VVVPNGQWUXXJDM-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418519282 500287218 /nfs/dbraw/zinc/28/72/18/500287218.db2.gz GGTDJANHPVXFKH-PXNSSMCTSA-N 1 3 372.557 3.056 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726478 500290735 /nfs/dbraw/zinc/29/07/35/500290735.db2.gz DZBZZOXLJOHJFO-VBQJREDUSA-N 1 3 357.420 3.271 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726478 500290736 /nfs/dbraw/zinc/29/07/36/500290736.db2.gz DZBZZOXLJOHJFO-VBQJREDUSA-N 1 3 357.420 3.271 20 0 FGADHO CSc1nnc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734109 500291585 /nfs/dbraw/zinc/29/15/85/500291585.db2.gz RVPCAQKWUGBMIG-BRWVUGGUSA-N 1 3 365.591 3.099 20 0 FGADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788822 500297479 /nfs/dbraw/zinc/29/74/79/500297479.db2.gz NMQUQHSIDYZOJW-AUUYWEPGSA-N 1 3 364.486 3.036 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791004 500298245 /nfs/dbraw/zinc/29/82/45/500298245.db2.gz CVJNLALDTGQCCB-UZLBHIALSA-N 1 3 360.523 3.287 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418636016 500299336 /nfs/dbraw/zinc/29/93/36/500299336.db2.gz HNRKVLBXOSRJFZ-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO COc1ccccc1N1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422838977 500304382 /nfs/dbraw/zinc/30/43/82/500304382.db2.gz PILAVEVWTHJRTG-YLJYHZDGSA-N 1 3 353.510 3.212 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840451 500304441 /nfs/dbraw/zinc/30/44/41/500304441.db2.gz SYHGLNMDXBSXHA-DOTOQJQBSA-N 1 3 358.555 3.473 20 0 FGADHO COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422842894 500304678 /nfs/dbraw/zinc/30/46/78/500304678.db2.gz ZLKMKAPEMRUQDS-OAHLLOKOSA-N 1 3 354.498 3.177 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924798 500307743 /nfs/dbraw/zinc/30/77/43/500307743.db2.gz JOBYCVKQWRLZGF-GHTZIAJQSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430935196 500309753 /nfs/dbraw/zinc/30/97/53/500309753.db2.gz PGRPCQCLUUGNRZ-YESZJQIVSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891657 500311493 /nfs/dbraw/zinc/31/14/93/500311493.db2.gz LGIHPAHGCFCZDJ-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000430950304 500312228 /nfs/dbraw/zinc/31/22/28/500312228.db2.gz GYXRLCMHUCGDLJ-UHFFFAOYSA-N 1 3 358.404 3.212 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422905050 500314655 /nfs/dbraw/zinc/31/46/55/500314655.db2.gz RKHLEUFAOHYFBN-INIZCTEOSA-N 1 3 352.906 3.129 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCNCC2)CCOCC1 ZINC000422905050 500314658 /nfs/dbraw/zinc/31/46/58/500314658.db2.gz RKHLEUFAOHYFBN-INIZCTEOSA-N 1 3 352.906 3.129 20 0 FGADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(CN)nc3C)CC2)cc1 ZINC000422911700 500315475 /nfs/dbraw/zinc/31/54/75/500315475.db2.gz UHYWQXXXASBHPS-INIZCTEOSA-N 1 3 366.509 3.113 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@H]3N)CC2)cs1 ZINC000422913537 500316256 /nfs/dbraw/zinc/31/62/56/500316256.db2.gz QDSATHUTDKCLHU-MSOLQXFVSA-N 1 3 350.576 3.167 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769645 500318106 /nfs/dbraw/zinc/31/81/06/500318106.db2.gz KRXBXKRMJWRBJX-SESVDKBCSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769645 500318108 /nfs/dbraw/zinc/31/81/08/500318108.db2.gz KRXBXKRMJWRBJX-SESVDKBCSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935756 500320015 /nfs/dbraw/zinc/32/00/15/500320015.db2.gz DNTAHOLZEPLUKC-NEPJUHHUSA-N 1 3 357.292 3.388 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012859 500322871 /nfs/dbraw/zinc/32/28/71/500322871.db2.gz GTBZDOAVXKVCFI-ROUUACIJSA-N 1 3 365.521 3.481 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422952796 500323378 /nfs/dbraw/zinc/32/33/78/500323378.db2.gz DJHANLPNESVEEY-JXFKEZNVSA-N 1 3 364.493 3.390 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000431017249 500323767 /nfs/dbraw/zinc/32/37/67/500323767.db2.gz OQHZYMLLJWHGEE-UWJYYQICSA-N 1 3 367.493 3.088 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000431017249 500323769 /nfs/dbraw/zinc/32/37/69/500323769.db2.gz OQHZYMLLJWHGEE-UWJYYQICSA-N 1 3 367.493 3.088 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422962036 500324959 /nfs/dbraw/zinc/32/49/59/500324959.db2.gz BSQHRDVANNHSBJ-NPPFBWRTSA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422962036 500324961 /nfs/dbraw/zinc/32/49/61/500324961.db2.gz BSQHRDVANNHSBJ-NPPFBWRTSA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035663 500333549 /nfs/dbraw/zinc/33/35/49/500333549.db2.gz SFYZKYHIRRCAGS-KXBFYZLASA-N 1 3 368.456 3.356 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423045060 500334545 /nfs/dbraw/zinc/33/45/45/500334545.db2.gz BHILSLLOLIJPSQ-XHSDSOJGSA-N 1 3 357.420 3.076 20 0 FGADHO CCCN(CCC(=O)Nc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000431104346 500336596 /nfs/dbraw/zinc/33/65/96/500336596.db2.gz FVONFGCTAORCEG-UHFFFAOYSA-N 1 3 353.894 3.141 20 0 FGADHO Cc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c(-n2cc(Cl)cn2)n1 ZINC000423072541 500338844 /nfs/dbraw/zinc/33/88/44/500338844.db2.gz PROUEQOZCSOJQI-CYBMUJFWSA-N 1 3 370.888 3.242 20 0 FGADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423073926 500338857 /nfs/dbraw/zinc/33/88/57/500338857.db2.gz SQVFCRZVMBIQDL-ABIUDSBCSA-N 1 3 356.297 3.206 20 0 FGADHO CC(C)c1nnc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123457 500345399 /nfs/dbraw/zinc/34/53/99/500345399.db2.gz DRVRTXRJNPLISH-DNVCBOLYSA-N 1 3 358.511 3.050 20 0 FGADHO Fc1ccccc1N1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132249 500346470 /nfs/dbraw/zinc/34/64/70/500346470.db2.gz PCCHXUPOTUHPMR-NBCNXNJRSA-N 1 3 367.468 3.250 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141104 500347740 /nfs/dbraw/zinc/34/77/40/500347740.db2.gz NYAJESLEPBWNRR-MUMJOVGASA-N 1 3 353.304 3.037 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141104 500347738 /nfs/dbraw/zinc/34/77/38/500347738.db2.gz NYAJESLEPBWNRR-MUMJOVGASA-N 1 3 353.304 3.037 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000423149327 500348400 /nfs/dbraw/zinc/34/84/00/500348400.db2.gz HHIKFBPOPMIAIB-IRXDYDNUSA-N 1 3 350.503 3.285 20 0 FGADHO COc1cc(OC)c(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000423151572 500348682 /nfs/dbraw/zinc/34/86/82/500348682.db2.gz CRQNZPGCMTWNCM-ZIAGYGMSSA-N 1 3 373.497 3.156 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423152369 500348979 /nfs/dbraw/zinc/34/89/79/500348979.db2.gz FSCBDMKDYXGXMD-LESCRADOSA-N 1 3 369.347 3.016 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193213 500354293 /nfs/dbraw/zinc/35/42/93/500354293.db2.gz VLMKVXATEDYOBK-KBPBESRZSA-N 1 3 354.336 3.129 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000419331543 500354919 /nfs/dbraw/zinc/35/49/19/500354919.db2.gz CYGCMRDOOKLUQF-FHWLQOOXSA-N 1 3 357.542 3.052 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000423353586 500366956 /nfs/dbraw/zinc/36/69/56/500366956.db2.gz LYMWEZDDMUJSGB-LAUBAEHRSA-N 1 3 351.494 3.491 20 0 FGADHO CC(C)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391012 500369496 /nfs/dbraw/zinc/36/94/96/500369496.db2.gz OYOSDJUXEDOZHS-HOTGVXAUSA-N 1 3 365.390 3.088 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396098 500370619 /nfs/dbraw/zinc/37/06/19/500370619.db2.gz RGXDUJVUONNUIN-RCZSKKKRSA-N 1 3 357.542 3.121 20 0 FGADHO COCC1(CN[C@@H](C)c2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000423407201 500371257 /nfs/dbraw/zinc/37/12/57/500371257.db2.gz LXQQWYZQJPIHPB-LBPRGKRZSA-N 1 3 359.283 3.255 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423476223 500377140 /nfs/dbraw/zinc/37/71/40/500377140.db2.gz QXODQAJTSUILJN-IWCQGFGOSA-N 1 3 360.395 3.218 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482618 500377762 /nfs/dbraw/zinc/37/77/62/500377762.db2.gz PJXVVYZDZOHBFB-YSIASYRMSA-N 1 3 364.555 3.202 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511033 500380502 /nfs/dbraw/zinc/38/05/02/500380502.db2.gz NBCDQFPRWBJDEG-YLJYHZDGSA-N 1 3 360.523 3.227 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511031 500380694 /nfs/dbraw/zinc/38/06/94/500380694.db2.gz NBCDQFPRWBJDEG-PXNSSMCTSA-N 1 3 360.523 3.227 20 0 FGADHO CC(C)[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000423545545 500383860 /nfs/dbraw/zinc/38/38/60/500383860.db2.gz CYGFDSNORCNSCK-OAQYLSRUSA-N 1 3 352.526 3.362 20 0 FGADHO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431656135 500403935 /nfs/dbraw/zinc/40/39/35/500403935.db2.gz VFRJZASMGLPTNL-NHCUHLMSSA-N 1 3 351.494 3.070 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420297884 500435801 /nfs/dbraw/zinc/43/58/01/500435801.db2.gz DTHKXXYTMPSQRA-LRDDRELGSA-N 1 3 356.297 3.396 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331421 500443286 /nfs/dbraw/zinc/44/32/86/500443286.db2.gz BXORDXZSRLBSFW-IDPBPBMLSA-N 1 3 357.542 3.136 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000420384773 500452312 /nfs/dbraw/zinc/45/23/12/500452312.db2.gz SCUBEINYMCNKSJ-IFMALSPDSA-N 1 3 354.494 3.437 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270934 500478810 /nfs/dbraw/zinc/47/88/10/500478810.db2.gz RFNWJKABGSNPOQ-MESAYYPLSA-N 1 3 371.569 3.117 20 0 FGADHO Cc1ccc([C@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287647 500481536 /nfs/dbraw/zinc/48/15/36/500481536.db2.gz JIOMECSGSAPMEE-UWJYYQICSA-N 1 3 355.526 3.026 20 0 FGADHO CN1CCCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323793 500486553 /nfs/dbraw/zinc/48/65/53/500486553.db2.gz WGESRSZZBNHWIU-IBGZPJMESA-N 1 3 358.555 3.044 20 0 FGADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)C(c1ccccc1)c1ccccc1 ZINC000424332034 500487440 /nfs/dbraw/zinc/48/74/40/500487440.db2.gz KHGZVNGZIYTPLU-WOJBJXKFSA-N 1 3 351.494 3.094 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000576612354 506198551 /nfs/dbraw/zinc/19/85/51/506198551.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000576612354 506198554 /nfs/dbraw/zinc/19/85/54/506198554.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CCN(C)CC1 ZINC000576631491 506202730 /nfs/dbraw/zinc/20/27/30/506202730.db2.gz OFSWESOYJSSXRJ-HKUYNNGSSA-N 1 3 363.505 3.395 20 0 FGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000432797962 500565268 /nfs/dbraw/zinc/56/52/68/500565268.db2.gz GXPLGZMUOUCQAI-NQIIRXRSSA-N 1 3 357.542 3.244 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000432796653 500565357 /nfs/dbraw/zinc/56/53/57/500565357.db2.gz BFQFGXUYCPHMNJ-OAQYLSRUSA-N 1 3 358.574 3.135 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868802 500637276 /nfs/dbraw/zinc/63/72/76/500637276.db2.gz CZAPWXUDJVXEJV-KRWDZBQOSA-N 1 3 371.447 3.188 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875295 500637730 /nfs/dbraw/zinc/63/77/30/500637730.db2.gz NVHQEPFGSXMZNY-AWEZNQCLSA-N 1 3 359.436 3.262 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933048 500649174 /nfs/dbraw/zinc/64/91/74/500649174.db2.gz ZLVIAUATZOFEIH-MAUKXSAKSA-N 1 3 352.906 3.459 20 0 FGADHO C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000443203545 500695738 /nfs/dbraw/zinc/69/57/38/500695738.db2.gz MDKMYBDCPHBOOI-KFWWJZLASA-N 1 3 359.474 3.006 20 0 FGADHO C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443230252 500699347 /nfs/dbraw/zinc/69/93/47/500699347.db2.gz DEUQNDOUZAZNOR-SFHVURJKSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449076620 500918699 /nfs/dbraw/zinc/91/86/99/500918699.db2.gz PRJPLHMDQGXKCY-AWEZNQCLSA-N 1 3 374.356 3.376 20 0 FGADHO CN1CCC(N2CCC([NH2+]C3CCC(OC4CCCC4)CC3)CC2)CC1 ZINC000449105705 500926762 /nfs/dbraw/zinc/92/67/62/500926762.db2.gz FBSSZQLOOMEMKI-UHFFFAOYSA-N 1 3 363.590 3.405 20 0 FGADHO CSCC1CCC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CC1 ZINC000449166710 500939003 /nfs/dbraw/zinc/93/90/03/500939003.db2.gz FSUZTESWQWAUIQ-UHFFFAOYSA-N 1 3 353.620 3.448 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789878 500939179 /nfs/dbraw/zinc/93/91/79/500939179.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789878 500939183 /nfs/dbraw/zinc/93/91/83/500939183.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 1 3 355.526 3.173 20 0 FGADHO COc1cccc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449194730 500944753 /nfs/dbraw/zinc/94/47/53/500944753.db2.gz XZGCZTUOUWMAQE-SFHVURJKSA-N 1 3 353.510 3.318 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215205 500950110 /nfs/dbraw/zinc/95/01/10/500950110.db2.gz NDIFTGIFXNADDY-KNQAVFIVSA-N 1 3 364.537 3.346 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449218179 500950674 /nfs/dbraw/zinc/95/06/74/500950674.db2.gz GBEPXAUIRFBDFO-UHFFFAOYSA-N 1 3 362.518 3.066 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2ccccc2)CC1 ZINC000449266709 500961601 /nfs/dbraw/zinc/96/16/01/500961601.db2.gz WSLHJSLREHKHMD-XXBNENTESA-N 1 3 352.522 3.275 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccsc1 ZINC000440220884 500988628 /nfs/dbraw/zinc/98/86/28/500988628.db2.gz XLHIQGWZKRMMAN-KRWDZBQOSA-N 1 3 354.564 3.113 20 0 FGADHO CCC[NH+]1CCC(N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000449467016 501009107 /nfs/dbraw/zinc/00/91/07/501009107.db2.gz JZUJXSLTQUPZAC-HNNXBMFYSA-N 1 3 350.503 3.107 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017543 /nfs/dbraw/zinc/01/75/43/501017543.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 1 3 357.542 3.070 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017545 /nfs/dbraw/zinc/01/75/45/501017545.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 1 3 357.542 3.070 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592556 501039964 /nfs/dbraw/zinc/03/99/64/501039964.db2.gz ODHNAWRGWYUXGR-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592556 501039966 /nfs/dbraw/zinc/03/99/66/501039966.db2.gz ODHNAWRGWYUXGR-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO COC(=O)CC1(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000440799894 501049858 /nfs/dbraw/zinc/04/98/58/501049858.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 1 3 356.510 3.318 20 0 FGADHO COC(=O)CC1(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000440799894 501049861 /nfs/dbraw/zinc/04/98/61/501049861.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 1 3 356.510 3.318 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]Cc3ccc(OC)nc3)CC2)cc1 ZINC000436276457 501100343 /nfs/dbraw/zinc/10/03/43/501100343.db2.gz TXUCIBPPPLIGSF-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305345 501104913 /nfs/dbraw/zinc/10/49/13/501104913.db2.gz GEHHFXBGTBUOQW-RMVXJAJNSA-N 1 3 361.574 3.410 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1(C)C ZINC000441332243 501121792 /nfs/dbraw/zinc/12/17/92/501121792.db2.gz JQBFRPJAICZJQA-UHFFFAOYSA-N 1 3 367.537 3.381 20 0 FGADHO CN(CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441334507 501122235 /nfs/dbraw/zinc/12/22/35/501122235.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 1 3 370.545 3.317 20 0 FGADHO CN(CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[N@H+]1C ZINC000441334507 501122238 /nfs/dbraw/zinc/12/22/38/501122238.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 1 3 370.545 3.317 20 0 FGADHO COc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441349834 501125104 /nfs/dbraw/zinc/12/51/04/501125104.db2.gz UPXVRKMKRPVMQH-UHFFFAOYSA-N 1 3 367.537 3.478 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000441367102 501127848 /nfs/dbraw/zinc/12/78/48/501127848.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 1 3 357.542 3.377 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000441367102 501127851 /nfs/dbraw/zinc/12/78/51/501127851.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 1 3 357.542 3.377 20 0 FGADHO C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000446596397 501139749 /nfs/dbraw/zinc/13/97/49/501139749.db2.gz ZIOGPTLVWCLPAJ-SFHVURJKSA-N 1 3 368.525 3.433 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@@H]4CCC[C@H](C)C4)CC3)C2)n(C)n1 ZINC000446840289 501171771 /nfs/dbraw/zinc/17/17/71/501171771.db2.gz YJXIHSANLARZRK-DZFGPLHGSA-N 1 3 373.589 3.330 20 0 FGADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107706 501270322 /nfs/dbraw/zinc/27/03/22/501270322.db2.gz JINYLDOHGIYXGT-NHCUHLMSSA-N 1 3 366.509 3.020 20 0 FGADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107706 501270323 /nfs/dbraw/zinc/27/03/23/501270323.db2.gz JINYLDOHGIYXGT-NHCUHLMSSA-N 1 3 366.509 3.020 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000453129074 501275419 /nfs/dbraw/zinc/27/54/19/501275419.db2.gz DIIALLUAXBYGNB-OTWHNJEPSA-N 1 3 354.498 3.207 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000453129074 501275421 /nfs/dbraw/zinc/27/54/21/501275421.db2.gz DIIALLUAXBYGNB-OTWHNJEPSA-N 1 3 354.498 3.207 20 0 FGADHO CC(C)CC[NH+]1CCC(CN[C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000453129930 501275431 /nfs/dbraw/zinc/27/54/31/501275431.db2.gz NXICVRKSZOUQKW-FQEVSTJZSA-N 1 3 359.493 3.381 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207938 501291088 /nfs/dbraw/zinc/29/10/88/501291088.db2.gz BYDNDIJXIDSGER-QUCCMNQESA-N 1 3 352.478 3.110 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207938 501291093 /nfs/dbraw/zinc/29/10/93/501291093.db2.gz BYDNDIJXIDSGER-QUCCMNQESA-N 1 3 352.478 3.110 20 0 FGADHO CNC(=O)C[C@H](C)N[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386335 501323704 /nfs/dbraw/zinc/32/37/04/501323704.db2.gz VECIOQNBZRTFAU-PXNSSMCTSA-N 1 3 363.521 3.493 20 0 FGADHO C[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172538 501384187 /nfs/dbraw/zinc/38/41/87/501384187.db2.gz QUEXZQNDVCRSLG-UGKGYDQZSA-N 1 3 371.569 3.178 20 0 FGADHO C[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172538 501384190 /nfs/dbraw/zinc/38/41/90/501384190.db2.gz QUEXZQNDVCRSLG-UGKGYDQZSA-N 1 3 371.569 3.178 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCN3CCCC(C)(C)C3)ccc21 ZINC000455854639 501400787 /nfs/dbraw/zinc/40/07/87/501400787.db2.gz NGLGKLHDWCCQQG-LJQANCHMSA-N 1 3 358.530 3.479 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455910853 501413215 /nfs/dbraw/zinc/41/32/15/501413215.db2.gz IXXVMUWUFCXLSQ-HBFSDRIKSA-N 1 3 356.514 3.326 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367858 501428472 /nfs/dbraw/zinc/42/84/72/501428472.db2.gz IIVWOEZIWIPPCM-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367858 501428475 /nfs/dbraw/zinc/42/84/75/501428475.db2.gz IIVWOEZIWIPPCM-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458373650 501430233 /nfs/dbraw/zinc/43/02/33/501430233.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 1 3 364.578 3.014 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458373650 501430234 /nfs/dbraw/zinc/43/02/34/501430234.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 1 3 364.578 3.014 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454217528 501485270 /nfs/dbraw/zinc/48/52/70/501485270.db2.gz IARSTTLGOIHVLO-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367194 501524750 /nfs/dbraw/zinc/52/47/50/501524750.db2.gz NSAWSBYMKDYSNU-YLJYHZDGSA-N 1 3 370.541 3.138 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000458785440 501531247 /nfs/dbraw/zinc/53/12/47/501531247.db2.gz WMROUIWHIMNIFE-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000458785440 501531249 /nfs/dbraw/zinc/53/12/49/501531249.db2.gz WMROUIWHIMNIFE-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593432 501586933 /nfs/dbraw/zinc/58/69/33/501586933.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593432 501586934 /nfs/dbraw/zinc/58/69/34/501586934.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO CSC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027466 501603963 /nfs/dbraw/zinc/60/39/63/501603963.db2.gz VMWKMDSTFJYLSJ-PMACEKPBSA-N 1 3 362.583 3.333 20 0 FGADHO CSC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027466 501603965 /nfs/dbraw/zinc/60/39/65/501603965.db2.gz VMWKMDSTFJYLSJ-PMACEKPBSA-N 1 3 362.583 3.333 20 0 FGADHO Fc1ccc(CN2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000459383080 501643495 /nfs/dbraw/zinc/64/34/95/501643495.db2.gz FAEGNEGSZFGRTN-UHFFFAOYSA-N 1 3 368.500 3.444 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1Oc1ccccc1 ZINC000459497259 501664098 /nfs/dbraw/zinc/66/40/98/501664098.db2.gz IYHZIJDXKHYKSM-BHDDXSALSA-N 1 3 367.493 3.265 20 0 FGADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459515918 501667945 /nfs/dbraw/zinc/66/79/45/501667945.db2.gz DCHJPRDZBXWBAH-UWJYYQICSA-N 1 3 367.493 3.060 20 0 FGADHO COc1ccc([C@H](CO)CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000459765334 501711066 /nfs/dbraw/zinc/71/10/66/501711066.db2.gz XGMQOAVSZSOJDT-SLYNCCJLSA-N 1 3 360.542 3.404 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173304 501730206 /nfs/dbraw/zinc/73/02/06/501730206.db2.gz GAQPSSNATFZPNY-IDGBJLRDSA-N 1 3 370.541 3.138 20 0 FGADHO Cc1ccc(CCCN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000474281837 501775240 /nfs/dbraw/zinc/77/52/40/501775240.db2.gz FJYGZMMVUCRVHY-UHFFFAOYSA-N 1 3 366.553 3.072 20 0 FGADHO Cc1ccc(CCCN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000474281837 501775242 /nfs/dbraw/zinc/77/52/42/501775242.db2.gz FJYGZMMVUCRVHY-UHFFFAOYSA-N 1 3 366.553 3.072 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736891 501787247 /nfs/dbraw/zinc/78/72/47/501787247.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736891 501787251 /nfs/dbraw/zinc/78/72/51/501787251.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CC1CCC(NC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000460347221 501799508 /nfs/dbraw/zinc/79/95/08/501799508.db2.gz BIEYECZMZZMVFR-XTBIFASLSA-N 1 3 371.569 3.428 20 0 FGADHO O=C(CN1CCC[C@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542454 501809277 /nfs/dbraw/zinc/80/92/77/501809277.db2.gz LRUGWWZDZZJCCP-KRWDZBQOSA-N 1 3 373.516 3.138 20 0 FGADHO C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855719 501811094 /nfs/dbraw/zinc/81/10/94/501811094.db2.gz ILOXKDNQNWYRDC-MJGOQNOKSA-N 1 3 367.493 3.083 20 0 FGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000477910795 501826732 /nfs/dbraw/zinc/82/67/32/501826732.db2.gz GFQKQLDZASCEEM-FPOVZHCZSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700773 501848031 /nfs/dbraw/zinc/84/80/31/501848031.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700773 501848036 /nfs/dbraw/zinc/84/80/36/501848036.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 1 3 369.553 3.420 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775604 501870012 /nfs/dbraw/zinc/87/00/12/501870012.db2.gz RMWCYVPLQPHQNV-CRAIPNDOSA-N 1 3 362.518 3.025 20 0 FGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000474602907 501890525 /nfs/dbraw/zinc/89/05/25/501890525.db2.gz UJOIIQBXXCQKGQ-RBBKRZOGSA-N 1 3 359.558 3.384 20 0 FGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467862376 501892513 /nfs/dbraw/zinc/89/25/13/501892513.db2.gz HTVCFIOLPSEDIR-CQSZACIVSA-N 1 3 371.447 3.299 20 0 FGADHO C[NH+](C)CCOCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000471535326 502058127 /nfs/dbraw/zinc/05/81/27/502058127.db2.gz FGNUWPDZBXKPLG-UHFFFAOYSA-N 1 3 367.287 3.377 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127661 502069460 /nfs/dbraw/zinc/06/94/60/502069460.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127661 502069464 /nfs/dbraw/zinc/06/94/64/502069464.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486192660 502078019 /nfs/dbraw/zinc/07/80/19/502078019.db2.gz LHRIVUYLPQMFOC-RTWAWAEBSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000471594217 502079448 /nfs/dbraw/zinc/07/94/48/502079448.db2.gz CBLRIDJMZPRBQL-KZNAEPCWSA-N 1 3 371.525 3.304 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475176434 502091335 /nfs/dbraw/zinc/09/13/35/502091335.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475176434 502091337 /nfs/dbraw/zinc/09/13/37/502091337.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825198 502108210 /nfs/dbraw/zinc/10/82/10/502108210.db2.gz CFMWQLVOADXIJN-FPOVZHCZSA-N 1 3 374.573 3.347 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825198 502108213 /nfs/dbraw/zinc/10/82/13/502108213.db2.gz CFMWQLVOADXIJN-FPOVZHCZSA-N 1 3 374.573 3.347 20 0 FGADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000461468260 502125419 /nfs/dbraw/zinc/12/54/19/502125419.db2.gz HOAQHWYQJBGDNA-HXUWFJFHSA-N 1 3 355.526 3.033 20 0 FGADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000461468260 502125422 /nfs/dbraw/zinc/12/54/22/502125422.db2.gz HOAQHWYQJBGDNA-HXUWFJFHSA-N 1 3 355.526 3.033 20 0 FGADHO NC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000479185646 502186331 /nfs/dbraw/zinc/18/63/31/502186331.db2.gz KZOLIKWMIQUKFQ-NRFANRHFSA-N 1 3 369.484 3.170 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000472192546 502264340 /nfs/dbraw/zinc/26/43/40/502264340.db2.gz OJTCCMIKNOWTRV-IFMALSPDSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000472192546 502264345 /nfs/dbraw/zinc/26/43/45/502264345.db2.gz OJTCCMIKNOWTRV-IFMALSPDSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303121 /nfs/dbraw/zinc/30/31/21/506303121.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303128 /nfs/dbraw/zinc/30/31/28/506303128.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 1 3 369.553 3.087 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129185 502283878 /nfs/dbraw/zinc/28/38/78/502283878.db2.gz KKLCJAXTGOPPSD-UWJYYQICSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129185 502283882 /nfs/dbraw/zinc/28/38/82/502283882.db2.gz KKLCJAXTGOPPSD-UWJYYQICSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129185 502283887 /nfs/dbraw/zinc/28/38/87/502283887.db2.gz KKLCJAXTGOPPSD-UWJYYQICSA-N 1 3 365.537 3.114 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465532771 502293152 /nfs/dbraw/zinc/29/31/52/502293152.db2.gz GYGLQQWNSGKHDT-UXHICEINSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620081 502327883 /nfs/dbraw/zinc/32/78/83/502327883.db2.gz UNBZDUHOTRFQHG-RTWAWAEBSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620081 502327891 /nfs/dbraw/zinc/32/78/91/502327891.db2.gz UNBZDUHOTRFQHG-RTWAWAEBSA-N 1 3 374.573 3.441 20 0 FGADHO Cn1nnc2cc(CN3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370010 502332667 /nfs/dbraw/zinc/33/26/67/502332667.db2.gz OXGNYOXJNWNDNB-CTNGQTDRSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CCCC[C@H]3[C@@H](CN)Cc3ccccc3)ccc21 ZINC000472370010 502332673 /nfs/dbraw/zinc/33/26/73/502332673.db2.gz OXGNYOXJNWNDNB-CTNGQTDRSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CCCC[C@H]3[C@@H](CN)Cc3ccccc3)ccc21 ZINC000472370010 502332681 /nfs/dbraw/zinc/33/26/81/502332681.db2.gz OXGNYOXJNWNDNB-CTNGQTDRSA-N 1 3 363.509 3.140 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766856 502377752 /nfs/dbraw/zinc/37/77/52/502377752.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766856 502377754 /nfs/dbraw/zinc/37/77/54/502377754.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000479789585 502377858 /nfs/dbraw/zinc/37/78/58/502377858.db2.gz RZBJGXLVMQVWLB-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502509030 /nfs/dbraw/zinc/50/90/30/502509030.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 1 3 373.585 3.161 20 0 FGADHO CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000476546396 502520453 /nfs/dbraw/zinc/52/04/53/502520453.db2.gz VMONMODLMJWLJA-LJQANCHMSA-N 1 3 362.562 3.053 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000480419356 502564618 /nfs/dbraw/zinc/56/46/18/502564618.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 1 3 374.569 3.448 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000480419356 502564625 /nfs/dbraw/zinc/56/46/25/502564625.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 1 3 374.569 3.448 20 0 FGADHO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484135876 502579172 /nfs/dbraw/zinc/57/91/72/502579172.db2.gz CZKWPYQSSRVEMU-OAQYLSRUSA-N 1 3 372.484 3.164 20 0 FGADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2cccc(Br)c21 ZINC000484142235 502581462 /nfs/dbraw/zinc/58/14/62/502581462.db2.gz IDXDBCALFKHJKA-WFASDCNBSA-N 1 3 353.304 3.044 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885393 502612891 /nfs/dbraw/zinc/61/28/91/502612891.db2.gz UPHJWAYLPMFFNA-QFIPXVFZSA-N 1 3 365.521 3.307 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000480593778 502613757 /nfs/dbraw/zinc/61/37/57/502613757.db2.gz FJAPPYRIJKVGQY-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480606219 502618062 /nfs/dbraw/zinc/61/80/62/502618062.db2.gz CRYBZIBTDXFGTA-IRLDBZIGSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183988 502702121 /nfs/dbraw/zinc/70/21/21/502702121.db2.gz BMUCCOITPPDLEI-PXNSSMCTSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488415903 502708453 /nfs/dbraw/zinc/70/84/53/502708453.db2.gz JLQLNSIXLBZPGR-IEBWSBKVSA-N 1 3 362.587 3.104 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1C ZINC000480944092 502710378 /nfs/dbraw/zinc/71/03/78/502710378.db2.gz YFRVJKPYJYONKZ-FQEVSTJZSA-N 1 3 360.546 3.437 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000480944092 502710383 /nfs/dbraw/zinc/71/03/83/502710383.db2.gz YFRVJKPYJYONKZ-FQEVSTJZSA-N 1 3 360.546 3.437 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243764 502714120 /nfs/dbraw/zinc/71/41/20/502714120.db2.gz PJDPPGLAYVAELC-RKVPGOIHSA-N 1 3 371.447 3.484 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243764 502714122 /nfs/dbraw/zinc/71/41/22/502714122.db2.gz PJDPPGLAYVAELC-RKVPGOIHSA-N 1 3 371.447 3.484 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488507092 502734861 /nfs/dbraw/zinc/73/48/61/502734861.db2.gz VWALLGMJVSPMFG-WAOWUJCRSA-N 1 3 372.557 3.010 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488507092 502734866 /nfs/dbraw/zinc/73/48/66/502734866.db2.gz VWALLGMJVSPMFG-WAOWUJCRSA-N 1 3 372.557 3.010 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000488513704 502737386 /nfs/dbraw/zinc/73/73/86/502737386.db2.gz HUMLGTQRSXHXNJ-NQIIRXRSSA-N 1 3 357.542 3.134 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC(C)C)C1 ZINC000477314952 502740177 /nfs/dbraw/zinc/74/01/77/502740177.db2.gz FREMBYBQKYILOJ-SFHVURJKSA-N 1 3 354.583 3.116 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC(C)C)C1 ZINC000477314952 502740179 /nfs/dbraw/zinc/74/01/79/502740179.db2.gz FREMBYBQKYILOJ-SFHVURJKSA-N 1 3 354.583 3.116 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2cccc(Br)c21 ZINC000481056094 502741893 /nfs/dbraw/zinc/74/18/93/502741893.db2.gz VHJDUYOWWHXDMM-XJKCOSOUSA-N 1 3 353.304 3.044 20 0 FGADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)(C)C ZINC000463362159 502770934 /nfs/dbraw/zinc/77/09/34/502770934.db2.gz QNOQOKQQJXMKLY-UHFFFAOYSA-N 1 3 359.558 3.444 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474042573 502787668 /nfs/dbraw/zinc/78/76/68/502787668.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474042573 502787675 /nfs/dbraw/zinc/78/76/75/502787675.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513040040 502836176 /nfs/dbraw/zinc/83/61/76/502836176.db2.gz DVBIMAGKALKTBM-GHTZIAJQSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513040040 502836179 /nfs/dbraw/zinc/83/61/79/502836179.db2.gz DVBIMAGKALKTBM-GHTZIAJQSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769827 502859722 /nfs/dbraw/zinc/85/97/22/502859722.db2.gz SLJAOOHWJGQXOB-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO COC(=O)c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(Cl)c1 ZINC000513167080 502868548 /nfs/dbraw/zinc/86/85/48/502868548.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 1 3 366.889 3.062 20 0 FGADHO COC(=O)c1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(Cl)c1 ZINC000513167080 502868552 /nfs/dbraw/zinc/86/85/52/502868552.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 1 3 366.889 3.062 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500859613 502879646 /nfs/dbraw/zinc/87/96/46/502879646.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500859613 502879651 /nfs/dbraw/zinc/87/96/51/502879651.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023696 502914207 /nfs/dbraw/zinc/91/42/07/502914207.db2.gz UNBIUPMITFQCBF-NQIIRXRSSA-N 1 3 372.557 3.267 20 0 FGADHO Cc1cccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501020936 502914353 /nfs/dbraw/zinc/91/43/53/502914353.db2.gz MVHLYDWJJZRNSP-UHFFFAOYSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025621 502915309 /nfs/dbraw/zinc/91/53/09/502915309.db2.gz ZKGGZFJGCSZWJR-QRVBRYPASA-N 1 3 372.557 3.123 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000509569605 502936748 /nfs/dbraw/zinc/93/67/48/502936748.db2.gz NOKWTPRYXOMSFF-FGTMMUONSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000509569605 502936753 /nfs/dbraw/zinc/93/67/53/502936753.db2.gz NOKWTPRYXOMSFF-FGTMMUONSA-N 1 3 364.534 3.082 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568551 502936808 /nfs/dbraw/zinc/93/68/08/502936808.db2.gz MBHYJCNFFOQUQN-RCCFBDPRSA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568551 502936814 /nfs/dbraw/zinc/93/68/14/502936814.db2.gz MBHYJCNFFOQUQN-RCCFBDPRSA-N 1 3 364.534 3.225 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000509569604 502936917 /nfs/dbraw/zinc/93/69/17/502936917.db2.gz NOKWTPRYXOMSFF-BZSNNMDCSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000509569604 502936920 /nfs/dbraw/zinc/93/69/20/502936920.db2.gz NOKWTPRYXOMSFF-BZSNNMDCSA-N 1 3 364.534 3.082 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489491888 502971444 /nfs/dbraw/zinc/97/14/44/502971444.db2.gz FOQNXONCUOSHIS-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489491888 502971446 /nfs/dbraw/zinc/97/14/46/502971446.db2.gz FOQNXONCUOSHIS-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1csc2ccccc12 ZINC000505760635 502980555 /nfs/dbraw/zinc/98/05/55/502980555.db2.gz VIOMMDVTHXRVMP-MRXNPFEDSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1csc2ccccc12 ZINC000505760635 502980560 /nfs/dbraw/zinc/98/05/60/502980560.db2.gz VIOMMDVTHXRVMP-MRXNPFEDSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782305 502985036 /nfs/dbraw/zinc/98/50/36/502985036.db2.gz FHAJEGVSFADBFR-LJQANCHMSA-N 1 3 371.525 3.240 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782305 502985038 /nfs/dbraw/zinc/98/50/38/502985038.db2.gz FHAJEGVSFADBFR-LJQANCHMSA-N 1 3 371.525 3.240 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564836 502988911 /nfs/dbraw/zinc/98/89/11/502988911.db2.gz SPPVRPQLTQQWTD-HDICACEKSA-N 1 3 364.578 3.203 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819665 502992622 /nfs/dbraw/zinc/99/26/22/502992622.db2.gz SUZBDDFGKBXXKE-HXUWFJFHSA-N 1 3 359.558 3.229 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819665 502992627 /nfs/dbraw/zinc/99/26/27/502992627.db2.gz SUZBDDFGKBXXKE-HXUWFJFHSA-N 1 3 359.558 3.229 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996280 /nfs/dbraw/zinc/99/62/80/502996280.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996283 /nfs/dbraw/zinc/99/62/83/502996283.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000513691999 503002082 /nfs/dbraw/zinc/00/20/82/503002082.db2.gz XJAPTCOEEOHPTK-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000513691999 503002086 /nfs/dbraw/zinc/00/20/86/503002086.db2.gz XJAPTCOEEOHPTK-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000513691999 503002088 /nfs/dbraw/zinc/00/20/88/503002088.db2.gz XJAPTCOEEOHPTK-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499209 503021374 /nfs/dbraw/zinc/02/13/74/503021374.db2.gz DPWKICAZDWOESR-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499209 503021375 /nfs/dbraw/zinc/02/13/75/503021375.db2.gz DPWKICAZDWOESR-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[N@H+](CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501593058 503045671 /nfs/dbraw/zinc/04/56/71/503045671.db2.gz JVGGKWBSMFLJIV-HXUWFJFHSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501593058 503045675 /nfs/dbraw/zinc/04/56/75/503045675.db2.gz JVGGKWBSMFLJIV-HXUWFJFHSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccco1 ZINC000497851867 503054581 /nfs/dbraw/zinc/05/45/81/503054581.db2.gz HESXGTMEXCKBHM-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1CC)c1ccco1 ZINC000497851867 503054585 /nfs/dbraw/zinc/05/45/85/503054585.db2.gz HESXGTMEXCKBHM-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)Nc1cccc(OCCN(C)C)c1)C(C)C ZINC000506273410 503083131 /nfs/dbraw/zinc/08/31/31/503083131.db2.gz UTUKCRQPQKQHHH-UHFFFAOYSA-N 1 3 364.534 3.210 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501842186 503091341 /nfs/dbraw/zinc/09/13/41/503091341.db2.gz LTHNOPQKQHSNSE-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000514202457 503111269 /nfs/dbraw/zinc/11/12/69/503111269.db2.gz YDFOYJRBDKYKON-OAQYLSRUSA-N 1 3 374.573 3.273 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000490129820 503114099 /nfs/dbraw/zinc/11/40/99/503114099.db2.gz HLQPYHWTIPIKGT-UHFFFAOYSA-N 1 3 359.558 3.260 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000510468483 503121543 /nfs/dbraw/zinc/12/15/43/503121543.db2.gz CRXBEJBMUGBXKT-QFIPXVFZSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000490172698 503121906 /nfs/dbraw/zinc/12/19/06/503121906.db2.gz QCCZVTSGDRTULG-PXNSSMCTSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000490172698 503121909 /nfs/dbraw/zinc/12/19/09/503121909.db2.gz QCCZVTSGDRTULG-PXNSSMCTSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000502030966 503129802 /nfs/dbraw/zinc/12/98/02/503129802.db2.gz IGUNVUUIYOVTDW-HKBOAZHASA-N 1 3 357.542 3.442 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276067 503173367 /nfs/dbraw/zinc/17/33/67/503173367.db2.gz QMNPDVXLGQXKMW-JOCHJYFZSA-N 1 3 371.569 3.263 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109625 503274282 /nfs/dbraw/zinc/27/42/82/503274282.db2.gz TXVUUBVFNOYSIU-QOLKULSZSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109625 503274283 /nfs/dbraw/zinc/27/42/83/503274283.db2.gz TXVUUBVFNOYSIU-QOLKULSZSA-N 1 3 372.557 3.050 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832396 503283721 /nfs/dbraw/zinc/28/37/21/503283721.db2.gz RMYIBOUFSLBIIV-SOAGJPPSSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502916181 503307483 /nfs/dbraw/zinc/30/74/83/503307483.db2.gz DPIJKMFAUMMVJZ-ROUUACIJSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892022 503454033 /nfs/dbraw/zinc/45/40/33/503454033.db2.gz RQDSPVWJQSWBHV-YOKBYHGQSA-N 1 3 371.447 3.188 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N(C)C ZINC000493924143 503459751 /nfs/dbraw/zinc/45/97/51/503459751.db2.gz BFEXLBNCVSPKIJ-SBHAEUEKSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N(C)C ZINC000493924143 503459755 /nfs/dbraw/zinc/45/97/55/503459755.db2.gz BFEXLBNCVSPKIJ-SBHAEUEKSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000516328656 503495066 /nfs/dbraw/zinc/49/50/66/503495066.db2.gz AXFHDHJBLCNJQH-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244432 503496602 /nfs/dbraw/zinc/49/66/02/503496602.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 1 3 366.505 3.024 20 0 FGADHO O[C@H](COc1ccccc1)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244432 503496605 /nfs/dbraw/zinc/49/66/05/503496605.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 1 3 366.505 3.024 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC000500091916 503551154 /nfs/dbraw/zinc/55/11/54/503551154.db2.gz NQKCAXZWEHQJDK-UHFFFAOYSA-N 1 3 361.549 3.496 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C ZINC000500130641 503561387 /nfs/dbraw/zinc/56/13/87/503561387.db2.gz KSEYJUOXYLWTNU-HZGZPEGRSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508872396 503584236 /nfs/dbraw/zinc/58/42/36/503584236.db2.gz RQQGDYGBVRVAKA-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508872396 503584241 /nfs/dbraw/zinc/58/42/41/503584241.db2.gz RQQGDYGBVRVAKA-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO COCc1ccccc1/C=C(\C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000508875640 503585285 /nfs/dbraw/zinc/58/52/85/503585285.db2.gz BMJVTKWLJNSNJO-WOCKIDEVSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000508875640 503585288 /nfs/dbraw/zinc/58/52/88/503585288.db2.gz BMJVTKWLJNSNJO-WOCKIDEVSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000508875640 503585292 /nfs/dbraw/zinc/58/52/92/503585292.db2.gz BMJVTKWLJNSNJO-WOCKIDEVSA-N 1 3 371.569 3.194 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000494668145 503588889 /nfs/dbraw/zinc/58/88/89/503588889.db2.gz WBCLBFWPNQRJDG-FIKGOQFSSA-N 1 3 374.548 3.101 20 0 FGADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512610835 503594580 /nfs/dbraw/zinc/59/45/80/503594580.db2.gz FJIKJRSQZXWOTG-VAMGGRTRSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512610835 503594583 /nfs/dbraw/zinc/59/45/83/503594583.db2.gz FJIKJRSQZXWOTG-VAMGGRTRSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512610835 503594588 /nfs/dbraw/zinc/59/45/88/503594588.db2.gz FJIKJRSQZXWOTG-VAMGGRTRSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927834 503621924 /nfs/dbraw/zinc/62/19/24/503621924.db2.gz HSNJMWSQDPSYMJ-HSQYWUDLSA-N 1 3 369.553 3.064 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891644 503631533 /nfs/dbraw/zinc/63/15/33/503631533.db2.gz IMZSVMGGROOMTI-MBOZVWFJSA-N 1 3 357.542 3.311 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154351 503691489 /nfs/dbraw/zinc/69/14/89/503691489.db2.gz RDPLHFSFNXVMQL-IRXDYDNUSA-N 1 3 365.587 3.291 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154351 503691491 /nfs/dbraw/zinc/69/14/91/503691491.db2.gz RDPLHFSFNXVMQL-IRXDYDNUSA-N 1 3 365.587 3.291 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405471 503757813 /nfs/dbraw/zinc/75/78/13/503757813.db2.gz XINKYULUWROKSN-OVQGTLEDSA-N 1 3 357.542 3.298 20 0 FGADHO CCn1ccnc1CNCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537021664 503778229 /nfs/dbraw/zinc/77/82/29/503778229.db2.gz HOVFPWGFHNBTMB-KDURUIRLSA-N 1 3 370.541 3.202 20 0 FGADHO CCn1ccnc1CNCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537021664 503778235 /nfs/dbraw/zinc/77/82/35/503778235.db2.gz HOVFPWGFHNBTMB-KDURUIRLSA-N 1 3 370.541 3.202 20 0 FGADHO Fc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530500 503826499 /nfs/dbraw/zinc/82/64/99/503826499.db2.gz FGAOPFDPOTUDPX-IBGZPJMESA-N 1 3 365.456 3.018 20 0 FGADHO C[C@H](c1ccc(-c2ccc([C@H](C)[NH3+])c(F)c2)cc1)N1CCN(CCO)CC1 ZINC000527589513 503845250 /nfs/dbraw/zinc/84/52/50/503845250.db2.gz SVZRBZJERVQJRR-DLBZAZTESA-N 1 3 371.500 3.183 20 0 FGADHO FC(F)(F)c1ccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243750 503892342 /nfs/dbraw/zinc/89/23/42/503892342.db2.gz YBDXPHNZYKFJHL-SFHVURJKSA-N 1 3 372.431 3.175 20 0 FGADHO CCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000530249731 503894522 /nfs/dbraw/zinc/89/45/22/503894522.db2.gz YFEQOQGDGYIWFZ-LJQANCHMSA-N 1 3 362.514 3.075 20 0 FGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCCN1CCN(C)CC1 ZINC000518445598 503987546 /nfs/dbraw/zinc/98/75/46/503987546.db2.gz RRESQQCFQNATIE-BMRADRMJSA-N 1 3 367.484 3.309 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000518758084 504054815 /nfs/dbraw/zinc/05/48/15/504054815.db2.gz RBAMFMDWZXOTIX-IBGZPJMESA-N 1 3 362.901 3.321 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000518758084 504054821 /nfs/dbraw/zinc/05/48/21/504054821.db2.gz RBAMFMDWZXOTIX-IBGZPJMESA-N 1 3 362.901 3.321 20 0 FGADHO C[C@H](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289591 504075299 /nfs/dbraw/zinc/07/52/99/504075299.db2.gz SIUFGXAARWIIKF-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO Cc1ccc(C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C2CC2)cc1 ZINC000537944773 504092054 /nfs/dbraw/zinc/09/20/54/504092054.db2.gz NKXAOUDORWFQQF-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151412 504093583 /nfs/dbraw/zinc/09/35/83/504093583.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 1 3 374.573 3.052 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528151412 504093588 /nfs/dbraw/zinc/09/35/88/504093588.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 1 3 374.573 3.052 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000538034231 504120125 /nfs/dbraw/zinc/12/01/25/504120125.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000538034231 504120128 /nfs/dbraw/zinc/12/01/28/504120128.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCCCC1 ZINC000541448711 504132876 /nfs/dbraw/zinc/13/28/76/504132876.db2.gz UBRMSOJYSPUZME-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000519222996 504169319 /nfs/dbraw/zinc/16/93/19/504169319.db2.gz KQJXWSXDBUKHCN-IBGZPJMESA-N 1 3 359.558 3.477 20 0 FGADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542756 504171000 /nfs/dbraw/zinc/17/10/00/504171000.db2.gz DEVMTXRDFFUSPR-RTWAWAEBSA-N 1 3 357.473 3.137 20 0 FGADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542756 504171006 /nfs/dbraw/zinc/17/10/06/504171006.db2.gz DEVMTXRDFFUSPR-RTWAWAEBSA-N 1 3 357.473 3.137 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000544622280 504195252 /nfs/dbraw/zinc/19/52/52/504195252.db2.gz WJUPOWAGKKIZRM-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000544622280 504195257 /nfs/dbraw/zinc/19/52/57/504195257.db2.gz WJUPOWAGKKIZRM-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531136044 504200260 /nfs/dbraw/zinc/20/02/60/504200260.db2.gz CCFCRFLPOLGOBA-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO COCC[N@H+](C)CCCN[C@H]1CCCc2c(Br)cccc21 ZINC000542152970 504383221 /nfs/dbraw/zinc/38/32/21/504383221.db2.gz ZXIBAHLQCSJPDK-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2c(Br)cccc21 ZINC000542152970 504383228 /nfs/dbraw/zinc/38/32/28/504383228.db2.gz ZXIBAHLQCSJPDK-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346833 504454299 /nfs/dbraw/zinc/45/42/99/504454299.db2.gz OAMTZJKNNLJVLR-UYAOXDASSA-N 1 3 372.557 3.243 20 0 FGADHO COCC[NH+]1CCC(NCc2cccc(COCc3ccco3)c2)CC1 ZINC000531940719 504481442 /nfs/dbraw/zinc/48/14/42/504481442.db2.gz PKLGCVKVNZEIHC-UHFFFAOYSA-N 1 3 358.482 3.197 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000520379711 504483618 /nfs/dbraw/zinc/48/36/18/504483618.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000520379711 504483624 /nfs/dbraw/zinc/48/36/24/504483624.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000531953502 504485544 /nfs/dbraw/zinc/48/55/44/504485544.db2.gz MUFOFJLGHOIDGW-SBHAEUEKSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000531953502 504485551 /nfs/dbraw/zinc/48/55/51/504485551.db2.gz MUFOFJLGHOIDGW-SBHAEUEKSA-N 1 3 359.558 3.164 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000531988098 504495807 /nfs/dbraw/zinc/49/58/07/504495807.db2.gz VEKQFFOLUHAOCD-HNNXBMFYSA-N 1 3 374.447 3.199 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000539295391 504521846 /nfs/dbraw/zinc/52/18/46/504521846.db2.gz LMAQNUPUDSXVSF-HNNXBMFYSA-N 1 3 358.448 3.320 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714974 504537717 /nfs/dbraw/zinc/53/77/17/504537717.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714974 504537720 /nfs/dbraw/zinc/53/77/20/504537720.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Br)ccc1F ZINC000532195536 504569648 /nfs/dbraw/zinc/56/96/48/504569648.db2.gz RBZQCZJQVKMMIW-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO CN(CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784494 504609261 /nfs/dbraw/zinc/60/92/61/504609261.db2.gz MBHCIURDEVXEOA-OAQYLSRUSA-N 1 3 366.509 3.031 20 0 FGADHO C[C@H](NC[C@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609771 504624572 /nfs/dbraw/zinc/62/45/72/504624572.db2.gz MNHUUSPDQUABLX-LPHOPBHVSA-N 1 3 356.466 3.118 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)CC[NH+](C)C ZINC000532491562 504669553 /nfs/dbraw/zinc/66/95/53/504669553.db2.gz HXELLUNQQVQKEI-QWHCGFSZSA-N 1 3 356.308 3.096 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137515 504699188 /nfs/dbraw/zinc/69/91/88/504699188.db2.gz UOXGJSFIGGKZRQ-OALUTQOASA-N 1 3 354.922 3.460 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539822802 504704046 /nfs/dbraw/zinc/70/40/46/504704046.db2.gz MWQYSVMZBDQOFT-AUSIDOKSSA-N 1 3 364.537 3.206 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706530 /nfs/dbraw/zinc/70/65/30/504706530.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 1 3 371.569 3.479 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706532 /nfs/dbraw/zinc/70/65/32/504706532.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 1 3 371.569 3.479 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899337 504734900 /nfs/dbraw/zinc/73/49/00/504734900.db2.gz DRFQOPILYOGUIM-FPOVZHCZSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899337 504734903 /nfs/dbraw/zinc/73/49/03/504734903.db2.gz DRFQOPILYOGUIM-FPOVZHCZSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091516 504779677 /nfs/dbraw/zinc/77/96/77/504779677.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091516 504779681 /nfs/dbraw/zinc/77/96/81/504779681.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 1 3 357.542 3.420 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(O)c3C)CC2)CC1 ZINC000565185328 504821336 /nfs/dbraw/zinc/82/13/36/504821336.db2.gz IADDLSXRWNNUFX-UHFFFAOYSA-N 1 3 359.514 3.144 20 0 FGADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356103 504864463 /nfs/dbraw/zinc/86/44/63/504864463.db2.gz TYOJBJWJYZLIDO-IRLDBZIGSA-N 1 3 358.526 3.408 20 0 FGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356103 504864465 /nfs/dbraw/zinc/86/44/65/504864465.db2.gz TYOJBJWJYZLIDO-IRLDBZIGSA-N 1 3 358.526 3.408 20 0 FGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599113 504933595 /nfs/dbraw/zinc/93/35/95/504933595.db2.gz KOHPGCZEHJGYKZ-NQIIRXRSSA-N 1 3 365.521 3.484 20 0 FGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599113 504933599 /nfs/dbraw/zinc/93/35/99/504933599.db2.gz KOHPGCZEHJGYKZ-NQIIRXRSSA-N 1 3 365.521 3.484 20 0 FGADHO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864178 504999602 /nfs/dbraw/zinc/99/96/02/504999602.db2.gz CNUGWFUTFCUDIA-AKIFATBCSA-N 1 3 369.553 3.278 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781836 505007622 /nfs/dbraw/zinc/00/76/22/505007622.db2.gz GLRUXNINTZMFDW-JBYIUTFZSA-N 1 3 369.553 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781836 505007627 /nfs/dbraw/zinc/00/76/27/505007627.db2.gz GLRUXNINTZMFDW-JBYIUTFZSA-N 1 3 369.553 3.473 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963818 505032730 /nfs/dbraw/zinc/03/27/30/505032730.db2.gz JSAJSXNKZDELBN-RTBURBONSA-N 1 3 374.916 3.448 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553892953 505034842 /nfs/dbraw/zinc/03/48/42/505034842.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553892953 505034846 /nfs/dbraw/zinc/03/48/46/505034846.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000563065330 505038351 /nfs/dbraw/zinc/03/83/51/505038351.db2.gz HQBIIXDHRRRSIH-OXQOHEQNSA-N 1 3 351.494 3.029 20 0 FGADHO COc1nc2ccccc2cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000560327715 505046656 /nfs/dbraw/zinc/04/66/56/505046656.db2.gz MZDOHLUNXNGGPT-IRXDYDNUSA-N 1 3 357.498 3.222 20 0 FGADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089327 505077262 /nfs/dbraw/zinc/07/72/62/505077262.db2.gz YUWYCRGURONJLI-CNDZOEFASA-N 1 3 368.477 3.308 20 0 FGADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1F ZINC000566106725 505083424 /nfs/dbraw/zinc/08/34/24/505083424.db2.gz XYCASOYYXPYJIR-NRFANRHFSA-N 1 3 372.484 3.089 20 0 FGADHO CN1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185391 505106926 /nfs/dbraw/zinc/10/69/26/505106926.db2.gz BOLZCCGXIVGVRC-LVCYWYKZSA-N 1 3 371.550 3.207 20 0 FGADHO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000560521586 505112823 /nfs/dbraw/zinc/11/28/23/505112823.db2.gz VZKCIKQXCAQOAT-NPRSCZTNSA-N 1 3 369.553 3.311 20 0 FGADHO C[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000560548091 505122781 /nfs/dbraw/zinc/12/27/81/505122781.db2.gz KTTQGUKYYBRDBR-IKGGRYGDSA-N 1 3 352.320 3.323 20 0 FGADHO C[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000560548091 505122786 /nfs/dbraw/zinc/12/27/86/505122786.db2.gz KTTQGUKYYBRDBR-IKGGRYGDSA-N 1 3 352.320 3.323 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000563375603 505126109 /nfs/dbraw/zinc/12/61/09/505126109.db2.gz DRJWEKUXZDOGFR-JXFKEZNVSA-N 1 3 373.541 3.216 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563460785 505147031 /nfs/dbraw/zinc/14/70/31/505147031.db2.gz RKTAZOXLJXAXNC-FCHUYYIVSA-N 1 3 368.525 3.207 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557634599 505188703 /nfs/dbraw/zinc/18/87/03/505188703.db2.gz LGSKFRRGPDTOHT-LJQANCHMSA-N 1 3 371.550 3.160 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557634599 505188706 /nfs/dbraw/zinc/18/87/06/505188706.db2.gz LGSKFRRGPDTOHT-LJQANCHMSA-N 1 3 371.550 3.160 20 0 FGADHO CCCN(C(=O)NCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000563799036 505242104 /nfs/dbraw/zinc/24/21/04/505242104.db2.gz JKPPKIPKLCOFKL-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000563861574 505260052 /nfs/dbraw/zinc/26/00/52/505260052.db2.gz MAMCJOMVBFYZQI-OAQYLSRUSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563874861 505263963 /nfs/dbraw/zinc/26/39/63/505263963.db2.gz QFGWPPVFZDCDLV-CEWLAPEOSA-N 1 3 372.557 3.147 20 0 FGADHO O=C(CN[C@H](c1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198957 505278478 /nfs/dbraw/zinc/27/84/78/505278478.db2.gz CVTLBVFWKYAIIA-QFIPXVFZSA-N 1 3 373.516 3.390 20 0 FGADHO Cc1ccc(C[C@@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943191 505283412 /nfs/dbraw/zinc/28/34/12/505283412.db2.gz ASPPGMLSTKOVSS-NRFANRHFSA-N 1 3 371.569 3.239 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116807 505311644 /nfs/dbraw/zinc/31/16/44/505311644.db2.gz LFWAUPPLEWCTNK-RIFZZMRRSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116807 505311648 /nfs/dbraw/zinc/31/16/48/505311648.db2.gz LFWAUPPLEWCTNK-RIFZZMRRSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000558116807 505311652 /nfs/dbraw/zinc/31/16/52/505311652.db2.gz LFWAUPPLEWCTNK-RIFZZMRRSA-N 1 3 350.934 3.486 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000566937248 505316140 /nfs/dbraw/zinc/31/61/40/505316140.db2.gz SAXPTKFUKMHCBR-QFBILLFUSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000566937248 505316146 /nfs/dbraw/zinc/31/61/46/505316146.db2.gz SAXPTKFUKMHCBR-QFBILLFUSA-N 1 3 363.571 3.392 20 0 FGADHO O=C(c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000564085926 505321419 /nfs/dbraw/zinc/32/14/19/505321419.db2.gz RYGLTWKKTAPSKH-OAQYLSRUSA-N 1 3 355.526 3.134 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1Cc1ccccc1 ZINC000561591150 505385393 /nfs/dbraw/zinc/38/53/93/505385393.db2.gz PWFDUTMMUKRAFM-GHTZIAJQSA-N 1 3 372.557 3.261 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000567192255 505390877 /nfs/dbraw/zinc/39/08/77/505390877.db2.gz XKSOVASGRXLOLO-FQEVSTJZSA-N 1 3 362.562 3.081 20 0 FGADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092032 505395915 /nfs/dbraw/zinc/39/59/15/505395915.db2.gz GWKWTKJATJGGTQ-IRXDYDNUSA-N 1 3 360.498 3.127 20 0 FGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCO4)CC2)C[C@@H](C)O1 ZINC000552092031 505396219 /nfs/dbraw/zinc/39/62/19/505396219.db2.gz GWKWTKJATJGGTQ-IAGOWNOFSA-N 1 3 360.498 3.127 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760217 505429059 /nfs/dbraw/zinc/42/90/59/505429059.db2.gz APUODCFWEVSKLP-FRQCXROJSA-N 1 3 369.509 3.297 20 0 FGADHO Cc1cccc(C[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C2CC2)c1 ZINC000561786603 505436699 /nfs/dbraw/zinc/43/66/99/505436699.db2.gz VMMGATBGHJGAKK-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945714 505474070 /nfs/dbraw/zinc/47/40/70/505474070.db2.gz FVKSNGQXPMECBG-RZXSNQJFSA-N 1 3 373.541 3.115 20 0 FGADHO COc1cccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641633 505521913 /nfs/dbraw/zinc/52/19/13/505521913.db2.gz YWUKOXMZDIPVOM-GCJKJVERSA-N 1 3 368.477 3.092 20 0 FGADHO Clc1cccc([C@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839756 505534899 /nfs/dbraw/zinc/53/48/99/505534899.db2.gz BPOSWFSJOQCPFR-DOTOQJQBSA-N 1 3 359.905 3.351 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1cccs1 ZINC000564846566 505537052 /nfs/dbraw/zinc/53/70/52/505537052.db2.gz PQBBKKYTFCNIQP-IBGZPJMESA-N 1 3 360.523 3.011 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc2ccccc2c1 ZINC000582894731 506477206 /nfs/dbraw/zinc/47/72/06/506477206.db2.gz LZEUQJRQEYDIIA-NHCUHLMSSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000603307834 506482076 /nfs/dbraw/zinc/48/20/76/506482076.db2.gz XMFOIRASVAGERK-ZWKOTPCHSA-N 1 3 361.530 3.010 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000589213236 506487533 /nfs/dbraw/zinc/48/75/33/506487533.db2.gz QHJRFBDJKPOTND-UYAOXDASSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375817 506533076 /nfs/dbraw/zinc/53/30/76/506533076.db2.gz NDBLQXUVQHUUPM-QGZVFWFLSA-N 1 3 361.530 3.058 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000612338802 506534963 /nfs/dbraw/zinc/53/49/63/506534963.db2.gz NLPURXURKUSYFO-IEBWSBKVSA-N 1 3 352.567 3.061 20 0 FGADHO CCC(CC)(CNC(=O)N[C@H]1CCCN(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593417 506569480 /nfs/dbraw/zinc/56/94/80/506569480.db2.gz GYSMHZCPCJAWJU-MJGOQNOKSA-N 1 3 360.546 3.289 20 0 FGADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000590125599 506744174 /nfs/dbraw/zinc/74/41/74/506744174.db2.gz BVMMOUXDHFESAH-QFIPXVFZSA-N 1 3 368.521 3.367 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193597 506744579 /nfs/dbraw/zinc/74/45/79/506744579.db2.gz BEXPVYRRFXAPDN-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193597 506744585 /nfs/dbraw/zinc/74/45/85/506744585.db2.gz BEXPVYRRFXAPDN-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000583647861 506893826 /nfs/dbraw/zinc/89/38/26/506893826.db2.gz KVSHABVMTXBCOP-NRFANRHFSA-N 1 3 353.510 3.132 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789020 506942748 /nfs/dbraw/zinc/94/27/48/506942748.db2.gz XFEHLSIWARLKAU-UXHICEINSA-N 1 3 374.573 3.489 20 0 FGADHO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000583867515 507019603 /nfs/dbraw/zinc/01/96/03/507019603.db2.gz ONLMEUCPAIEWGP-MRXNPFEDSA-N 1 3 374.447 3.157 20 0 FGADHO C[C@@H](c1cccc2ccccc21)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000590937802 507047302 /nfs/dbraw/zinc/04/73/02/507047302.db2.gz AANHOQRHBLHNFS-KRWDZBQOSA-N 1 3 353.510 3.291 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000600888457 507162737 /nfs/dbraw/zinc/16/27/37/507162737.db2.gz WNXZDNKWPYYPHI-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000600888457 507162743 /nfs/dbraw/zinc/16/27/43/507162743.db2.gz WNXZDNKWPYYPHI-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000591453144 507255816 /nfs/dbraw/zinc/25/58/16/507255816.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 1 3 361.530 3.010 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000591453144 507255819 /nfs/dbraw/zinc/25/58/19/507255819.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 1 3 361.530 3.010 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000591554639 507289464 /nfs/dbraw/zinc/28/94/64/507289464.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000591554639 507289470 /nfs/dbraw/zinc/28/94/70/507289470.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000591618240 507314378 /nfs/dbraw/zinc/31/43/78/507314378.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000591618240 507314384 /nfs/dbraw/zinc/31/43/84/507314384.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CC=C(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595025365 507358867 /nfs/dbraw/zinc/35/88/67/507358867.db2.gz GUYRBDWKLCDNQU-MRXNPFEDSA-N 1 3 368.262 3.130 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623190 507456120 /nfs/dbraw/zinc/45/61/20/507456120.db2.gz BSIRMGFTECPCIH-PXNSSMCTSA-N 1 3 360.546 3.099 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000606662118 507473700 /nfs/dbraw/zinc/47/37/00/507473700.db2.gz NRENYMFZUIIMRA-NQIIRXRSSA-N 1 3 372.557 3.161 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433646 507655436 /nfs/dbraw/zinc/65/54/36/507655436.db2.gz MZGAJXBIWFOHDG-HOTGVXAUSA-N 1 3 350.890 3.338 20 0 FGADHO COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532292 507725243 /nfs/dbraw/zinc/72/52/43/507725243.db2.gz UNIGDSGWZHBDDK-GOSISDBHSA-N 1 3 362.514 3.038 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000643248490 568292571 /nfs/dbraw/zinc/29/25/71/568292571.db2.gz YCJDYHZDWMLLIJ-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643293906 568735406 /nfs/dbraw/zinc/73/54/06/568735406.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643293906 568735411 /nfs/dbraw/zinc/73/54/11/568735411.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1SC ZINC000069160114 695947829 /nfs/dbraw/zinc/94/78/29/695947829.db2.gz CILXXEBAWXOXQO-HZPDHXFCSA-N 1 3 352.544 3.396 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000189017576 712783963 /nfs/dbraw/zinc/78/39/63/712783963.db2.gz LKXWMJNAPSVQAN-KRWDZBQOSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921338 713614082 /nfs/dbraw/zinc/61/40/82/713614082.db2.gz HBCSVIQYIQSOFI-KURKYZTESA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526969634 714416271 /nfs/dbraw/zinc/41/62/71/714416271.db2.gz MHUBMAZUAXZWJG-UHFFFAOYSA-N 1 3 361.921 3.473 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526969634 714416274 /nfs/dbraw/zinc/41/62/74/714416274.db2.gz MHUBMAZUAXZWJG-UHFFFAOYSA-N 1 3 361.921 3.473 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000642630906 717985796 /nfs/dbraw/zinc/98/57/96/717985796.db2.gz QPRSQXCHIPQCLG-CWRNSKLLSA-N 1 3 365.905 3.282 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630906 717985798 /nfs/dbraw/zinc/98/57/98/717985798.db2.gz QPRSQXCHIPQCLG-CWRNSKLLSA-N 1 3 365.905 3.282 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1Cl ZINC000617506021 714663529 /nfs/dbraw/zinc/66/35/29/714663529.db2.gz YAONUSFHFSKTES-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1Cl ZINC000617506021 714663530 /nfs/dbraw/zinc/66/35/30/714663530.db2.gz YAONUSFHFSKTES-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420824 715332736 /nfs/dbraw/zinc/33/27/36/715332736.db2.gz PLOLFAQKLYQSOZ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420824 715332740 /nfs/dbraw/zinc/33/27/40/715332740.db2.gz PLOLFAQKLYQSOZ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000623978477 715445402 /nfs/dbraw/zinc/44/54/02/715445402.db2.gz VDFGBZQELUZVMT-OAHLLOKOSA-N 1 3 368.363 3.434 20 0 FGADHO COc1ccc([C@@H](NCCOCCC[NH3+])C(C)C)c(Br)c1 ZINC000629541354 716305009 /nfs/dbraw/zinc/30/50/09/716305009.db2.gz YWTBSZMXTRAAJF-INIZCTEOSA-N 1 3 359.308 3.110 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000629601009 716317336 /nfs/dbraw/zinc/31/73/36/716317336.db2.gz DDKXFENRZBIJQN-NSGGIEJNSA-N 1 3 356.897 3.061 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000629601009 716317341 /nfs/dbraw/zinc/31/73/41/716317341.db2.gz DDKXFENRZBIJQN-NSGGIEJNSA-N 1 3 356.897 3.061 20 0 FGADHO C[C@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953191 717134854 /nfs/dbraw/zinc/13/48/54/717134854.db2.gz UQDLLCVGEYCSNH-FXAWDEMLSA-N 1 3 364.555 3.118 20 0 FGADHO Cc1nnsc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000638733870 717480819 /nfs/dbraw/zinc/48/08/19/717480819.db2.gz DXNOQPNKWSPDFW-UHFFFAOYSA-N 1 3 360.527 3.007 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543705 718366568 /nfs/dbraw/zinc/36/65/68/718366568.db2.gz RFHQPAKKRPHWAQ-KBPBESRZSA-N 1 3 353.304 3.366 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3sccc3Br)C2)C1 ZINC000650707680 718717536 /nfs/dbraw/zinc/71/75/36/718717536.db2.gz KSUCRHQELMKLDU-BZPMIXESSA-N 1 3 359.333 3.229 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349449 718935169 /nfs/dbraw/zinc/93/51/69/718935169.db2.gz OYGLSVIDZIOCFS-JCKWVBRZSA-N 1 3 356.869 3.076 20 0 FGADHO CC[C@H]1C[N@H+](CCCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903695 724609876 /nfs/dbraw/zinc/60/98/76/724609876.db2.gz HEWCMBNPTUCJKV-ZWKOTPCHSA-N 1 3 353.551 3.488 20 0 FGADHO CC[C@H]1C[N@@H+](CCCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903695 724609882 /nfs/dbraw/zinc/60/98/82/724609882.db2.gz HEWCMBNPTUCJKV-ZWKOTPCHSA-N 1 3 353.551 3.488 20 0 FGADHO CC[C@H]1C[N@H+](CCCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903694 724610191 /nfs/dbraw/zinc/61/01/91/724610191.db2.gz HEWCMBNPTUCJKV-ROUUACIJSA-N 1 3 353.551 3.488 20 0 FGADHO CC[C@H]1C[N@@H+](CCCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903694 724610196 /nfs/dbraw/zinc/61/01/96/724610196.db2.gz HEWCMBNPTUCJKV-ROUUACIJSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294214 720411124 /nfs/dbraw/zinc/41/11/24/720411124.db2.gz CBBSOAQLHJLIQN-QAPCUYQASA-N 1 3 363.933 3.229 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297892 720412106 /nfs/dbraw/zinc/41/21/06/720412106.db2.gz SSOYQDALPAZTEF-RDJZCZTQSA-N 1 3 363.933 3.229 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662312986 720414049 /nfs/dbraw/zinc/41/40/49/720414049.db2.gz DNBUQUZORVFJEF-CZUORRHYSA-N 1 3 357.420 3.483 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662347501 720417607 /nfs/dbraw/zinc/41/76/07/720417607.db2.gz GJXFTHCXNLZRKY-QGZVFWFLSA-N 1 3 357.523 3.207 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)[C@@H]1c1cccs1 ZINC000662474069 720432343 /nfs/dbraw/zinc/43/23/43/720432343.db2.gz RYWNGVVWLARIPY-DNVCBOLYSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)[C@@H]1c1cccs1 ZINC000662474069 720432345 /nfs/dbraw/zinc/43/23/45/720432345.db2.gz RYWNGVVWLARIPY-DNVCBOLYSA-N 1 3 355.507 3.164 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357533 720759040 /nfs/dbraw/zinc/75/90/40/720759040.db2.gz OZOMCEFURXGWGQ-DLBZAZTESA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357533 720759042 /nfs/dbraw/zinc/75/90/42/720759042.db2.gz OZOMCEFURXGWGQ-DLBZAZTESA-N 1 3 366.937 3.115 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665366969 720760852 /nfs/dbraw/zinc/76/08/52/720760852.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665366969 720760856 /nfs/dbraw/zinc/76/08/56/720760856.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO CCC[N@H+](C)[C@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634218 /nfs/dbraw/zinc/63/42/18/721634218.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634219 /nfs/dbraw/zinc/63/42/19/721634219.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO Cc1cc(Br)ccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675239126 721741265 /nfs/dbraw/zinc/74/12/65/721741265.db2.gz FMYUSTABJAXMPS-SFHVURJKSA-N 1 3 367.331 3.491 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543009 722415909 /nfs/dbraw/zinc/41/59/09/722415909.db2.gz NGJWOAVOGSURBM-TZNCUMHOSA-N 1 3 351.535 3.237 20 0 FGADHO COc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)cc1CN1CCCCC1 ZINC000760036226 723034509 /nfs/dbraw/zinc/03/45/09/723034509.db2.gz DKSZDSOCOXIZNG-PBHICJAKSA-N 1 3 356.457 3.348 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@@H+]1CCC[C@H]1C ZINC000766270235 723565447 /nfs/dbraw/zinc/56/54/47/723565447.db2.gz PKXXSNOHJGBARD-ZIAGYGMSSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@H+]1CCC[C@H]1C ZINC000766270235 723565448 /nfs/dbraw/zinc/56/54/48/723565448.db2.gz PKXXSNOHJGBARD-ZIAGYGMSSA-N 1 3 353.894 3.140 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766274862 723565696 /nfs/dbraw/zinc/56/56/96/723565696.db2.gz WMUFKLYKBFFCBH-KGLIPLIRSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766274862 723565697 /nfs/dbraw/zinc/56/56/97/723565697.db2.gz WMUFKLYKBFFCBH-KGLIPLIRSA-N 1 3 357.420 3.496 20 0 FGADHO CC(C)C[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000811506046 725370413 /nfs/dbraw/zinc/37/04/13/725370413.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 1 3 353.551 3.483 20 0 FGADHO CC(C)C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000811506046 725370415 /nfs/dbraw/zinc/37/04/15/725370415.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 1 3 353.551 3.483 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184160 /nfs/dbraw/zinc/18/41/60/727184160.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184163 /nfs/dbraw/zinc/18/41/63/727184163.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 1 3 351.535 3.051 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(Cl)cc3C)CC2)CC1 ZINC000816949422 727208992 /nfs/dbraw/zinc/20/89/92/727208992.db2.gz WEQNQCIGODEWOI-UHFFFAOYSA-N 1 3 364.921 3.178 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900260 727287528 /nfs/dbraw/zinc/28/75/28/727287528.db2.gz LSNCUOIZYRWXOT-YYIAUSFCSA-N 1 3 358.404 3.129 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929605 727288012 /nfs/dbraw/zinc/28/80/12/727288012.db2.gz IRYOYQPKXHZISM-TVFCKZIOSA-N 1 3 367.331 3.383 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929069 727288064 /nfs/dbraw/zinc/28/80/64/727288064.db2.gz IRYOYQPKXHZISM-WNRNVDISSA-N 1 3 367.331 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000824993114 729367184 /nfs/dbraw/zinc/36/71/84/729367184.db2.gz NUEOFTYUUZFXDX-FGTMMUONSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000824993114 729367185 /nfs/dbraw/zinc/36/71/85/729367185.db2.gz NUEOFTYUUZFXDX-FGTMMUONSA-N 1 3 351.535 3.383 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827114545 729424653 /nfs/dbraw/zinc/42/46/53/729424653.db2.gz MAKRELWRDLCXCH-KRWDZBQOSA-N 1 3 366.937 3.062 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCCCCCC[NH3+])c2cccs2)CC1 ZINC000831094922 729617315 /nfs/dbraw/zinc/61/73/15/729617315.db2.gz QWXOYGMVWRPPBT-QGZVFWFLSA-N 1 3 366.575 3.339 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703335 /nfs/dbraw/zinc/70/33/35/730703335.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 1 3 358.555 3.471 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703339 /nfs/dbraw/zinc/70/33/39/730703339.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 1 3 358.555 3.471 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491476 732220104 /nfs/dbraw/zinc/22/01/04/732220104.db2.gz IRQHZLOKVRSARK-OKZBNKHCSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492101 732220307 /nfs/dbraw/zinc/22/03/07/732220307.db2.gz SZKMREOUBPMTTN-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436136 733201070 /nfs/dbraw/zinc/20/10/70/733201070.db2.gz UWKPLGWFYVZQEK-ZIAGYGMSSA-N 1 3 367.456 3.152 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436136 733201076 /nfs/dbraw/zinc/20/10/76/733201076.db2.gz UWKPLGWFYVZQEK-ZIAGYGMSSA-N 1 3 367.456 3.152 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475266 733208816 /nfs/dbraw/zinc/20/88/16/733208816.db2.gz JDCOUVPBAMBISJ-YJBOKZPZSA-N 1 3 355.511 3.203 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475266 733208822 /nfs/dbraw/zinc/20/88/22/733208822.db2.gz JDCOUVPBAMBISJ-YJBOKZPZSA-N 1 3 355.511 3.203 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289496 735746532 /nfs/dbraw/zinc/74/65/32/735746532.db2.gz ISSKEESKRHVWNB-KGLIPLIRSA-N 1 3 353.304 3.258 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000877201429 736197696 /nfs/dbraw/zinc/19/76/96/736197696.db2.gz YCLXGZQGZZGNCB-QGZVFWFLSA-N 1 3 366.937 3.060 20 0 FGADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1)C1CCCC1 ZINC000877443582 736219797 /nfs/dbraw/zinc/21/97/97/736219797.db2.gz DYPJJASRIJLBIU-WMLDXEAASA-N 1 3 361.555 3.154 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000880102880 737120318 /nfs/dbraw/zinc/12/03/18/737120318.db2.gz GUFYKOIEQZPQSQ-HNNXBMFYSA-N 1 3 358.452 3.167 20 0 FGADHO Cc1csc(C[C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000886692145 739285184 /nfs/dbraw/zinc/28/51/84/739285184.db2.gz SQZKRWXCPFPJOT-LJQANCHMSA-N 1 3 364.603 3.122 20 0 FGADHO Cc1csc(C[C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000886692145 739285197 /nfs/dbraw/zinc/28/51/97/739285197.db2.gz SQZKRWXCPFPJOT-LJQANCHMSA-N 1 3 364.603 3.122 20 0 FGADHO F[C@@H]1CC2(CC[C@H]1NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737782 740039123 /nfs/dbraw/zinc/03/91/23/740039123.db2.gz KRISXJHTQHYMCQ-CGTJXYLNSA-N 1 3 368.518 3.183 20 0 FGADHO F[C@@H]1CC2(CC[C@H]1NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737782 740039127 /nfs/dbraw/zinc/03/91/27/740039127.db2.gz KRISXJHTQHYMCQ-CGTJXYLNSA-N 1 3 368.518 3.183 20 0 FGADHO COc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000903500375 743856612 /nfs/dbraw/zinc/85/66/12/743856612.db2.gz ZNYUONKVTGFRQC-UKRRQHHQSA-N 1 3 361.511 3.244 20 0 FGADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159564 /nfs/dbraw/zinc/15/95/64/762159564.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 1 3 363.571 3.113 20 0 FGADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159570 /nfs/dbraw/zinc/15/95/70/762159570.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 1 3 363.571 3.113 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393946 758913599 /nfs/dbraw/zinc/91/35/99/758913599.db2.gz NZUFPCJHLQTGJL-JYBIWHBTSA-N 1 3 365.587 3.301 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393946 758913602 /nfs/dbraw/zinc/91/36/02/758913602.db2.gz NZUFPCJHLQTGJL-JYBIWHBTSA-N 1 3 365.587 3.301 20 0 FGADHO C[NH+]1CCC(O)(CN[C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000925119160 759451382 /nfs/dbraw/zinc/45/13/82/759451382.db2.gz WJGGWIKJDUDQSP-SFHVURJKSA-N 1 3 366.864 3.402 20 0 FGADHO [NH3+]CCC[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925590181 759510446 /nfs/dbraw/zinc/51/04/46/759510446.db2.gz NSMDCMVTLQOACX-GOSISDBHSA-N 1 3 366.914 3.184 20 0 FGADHO C[C@H]([NH3+])[C@@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660768 759519996 /nfs/dbraw/zinc/51/99/96/759519996.db2.gz ANKXQHUYXBNWAK-RXOFBLNVSA-N 1 3 355.448 3.470 20 0 FGADHO CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000926739400 759813640 /nfs/dbraw/zinc/81/36/40/759813640.db2.gz RFTHRRGIALDRNQ-WWDZGPRUSA-N 1 3 351.535 3.001 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCCN(C/C=C\Cl)CC2)CC[N@@H+]1C ZINC000998006644 765090926 /nfs/dbraw/zinc/09/09/26/765090926.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCCN(C/C=C\Cl)CC2)CC[N@H+]1C ZINC000998006644 765090943 /nfs/dbraw/zinc/09/09/43/765090943.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999204295 765147221 /nfs/dbraw/zinc/14/72/21/765147221.db2.gz DWNOKKPFYSUXAH-JENIJYKNSA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999204295 765147226 /nfs/dbraw/zinc/14/72/26/765147226.db2.gz DWNOKKPFYSUXAH-JENIJYKNSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001052393568 766899951 /nfs/dbraw/zinc/89/99/51/766899951.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001052393568 766899969 /nfs/dbraw/zinc/89/99/69/766899969.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 1 3 363.933 3.151 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000176432873 257365412 /nfs/dbraw/zinc/36/54/12/257365412.db2.gz QVLRLIMEADZHPG-UHFFFAOYSA-N 1 3 366.575 3.084 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161344 503693880 /nfs/dbraw/zinc/69/38/80/503693880.db2.gz SQIOAZUVPPABDG-FDFHNCONSA-N 1 3 370.537 3.356 20 0 FGADHO CC(=O)c1ccccc1NC(=O)CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000573621758 505580361 /nfs/dbraw/zinc/58/03/61/505580361.db2.gz KLQMBQJBXWPCTR-UHFFFAOYSA-N 1 3 371.525 3.416 20 0 FGADHO O=C(CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837524 505592254 /nfs/dbraw/zinc/59/22/54/505592254.db2.gz YHFHSSQDVSBETB-GOSISDBHSA-N 1 3 355.457 3.266 20 0 FGADHO O=C(CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837524 505592257 /nfs/dbraw/zinc/59/22/57/505592257.db2.gz YHFHSSQDVSBETB-GOSISDBHSA-N 1 3 355.457 3.266 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837525 505592301 /nfs/dbraw/zinc/59/23/01/505592301.db2.gz YHFHSSQDVSBETB-SFHVURJKSA-N 1 3 355.457 3.266 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837525 505592305 /nfs/dbraw/zinc/59/23/05/505592305.db2.gz YHFHSSQDVSBETB-SFHVURJKSA-N 1 3 355.457 3.266 20 0 FGADHO COc1cccc(C[C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000579735500 505610385 /nfs/dbraw/zinc/61/03/85/505610385.db2.gz BOTCFVMQEVPVPY-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO COc1cccc(C[C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000579735500 505610387 /nfs/dbraw/zinc/61/03/87/505610387.db2.gz BOTCFVMQEVPVPY-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO COC(=O)c1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1C ZINC000577120129 505668242 /nfs/dbraw/zinc/66/82/42/505668242.db2.gz YOIUBZDMAJWWLH-UHFFFAOYSA-N 1 3 369.509 3.156 20 0 FGADHO COC(=O)c1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1C ZINC000577120129 505668244 /nfs/dbraw/zinc/66/82/44/505668244.db2.gz YOIUBZDMAJWWLH-UHFFFAOYSA-N 1 3 369.509 3.156 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000577146969 505673255 /nfs/dbraw/zinc/67/32/55/505673255.db2.gz VEPMEMXEBUXDIG-WMZOPIPTSA-N 1 3 351.560 3.422 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000057631020 493780177 /nfs/dbraw/zinc/78/01/77/493780177.db2.gz RNNHVTHAMQDZPC-IBGZPJMESA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000057631020 493780180 /nfs/dbraw/zinc/78/01/80/493780180.db2.gz RNNHVTHAMQDZPC-IBGZPJMESA-N 1 3 360.546 3.114 20 0 FGADHO C[C@H](c1cccs1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760561 493986527 /nfs/dbraw/zinc/98/65/27/493986527.db2.gz LTOJAAMELSVFAS-OAHLLOKOSA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000069620542 493989305 /nfs/dbraw/zinc/98/93/05/493989305.db2.gz GBYWURLCWFDMMO-HXUWFJFHSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000069620542 493989308 /nfs/dbraw/zinc/98/93/08/493989308.db2.gz GBYWURLCWFDMMO-HXUWFJFHSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@@H](C)O1 ZINC000084656586 494090362 /nfs/dbraw/zinc/09/03/62/494090362.db2.gz FHMQUKZAUCFKCY-HZPDHXFCSA-N 1 3 360.527 3.184 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000580190933 505699789 /nfs/dbraw/zinc/69/97/89/505699789.db2.gz BILGDBLFFCYJNU-LEWJYISDSA-N 1 3 366.509 3.078 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000085402632 494121712 /nfs/dbraw/zinc/12/17/12/494121712.db2.gz DATUZIIKXQTYMO-RZMNMVRNSA-N 1 3 364.578 3.011 20 0 FGADHO CCN1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000571335078 505709076 /nfs/dbraw/zinc/70/90/76/505709076.db2.gz XRDXXBWPPHIVGQ-BMRADRMJSA-N 1 3 367.484 3.309 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000042929579 494252632 /nfs/dbraw/zinc/25/26/32/494252632.db2.gz FDIQVKXFAFQRPM-OALUTQOASA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000042929579 494252635 /nfs/dbraw/zinc/25/26/35/494252635.db2.gz FDIQVKXFAFQRPM-OALUTQOASA-N 1 3 372.557 3.213 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089512921 494318622 /nfs/dbraw/zinc/31/86/22/494318622.db2.gz OIFIUISEAKJUJI-HNNXBMFYSA-N 1 3 367.559 3.362 20 0 FGADHO O=C(CN1CCCC[C@@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010415 494428455 /nfs/dbraw/zinc/42/84/55/494428455.db2.gz LGURPENOALJBOO-OAQYLSRUSA-N 1 3 369.553 3.217 20 0 FGADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795127 494430556 /nfs/dbraw/zinc/43/05/56/494430556.db2.gz IPAVSIAYXVNTDI-IRXDYDNUSA-N 1 3 366.575 3.257 20 0 FGADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795127 494430561 /nfs/dbraw/zinc/43/05/61/494430561.db2.gz IPAVSIAYXVNTDI-IRXDYDNUSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000074100440 494480993 /nfs/dbraw/zinc/48/09/93/494480993.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000074100440 494480998 /nfs/dbraw/zinc/48/09/98/494480998.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610814 494492304 /nfs/dbraw/zinc/49/23/04/494492304.db2.gz UXIPBXHOLTWNPD-OAQYLSRUSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)C1 ZINC000067280756 494507885 /nfs/dbraw/zinc/50/78/85/494507885.db2.gz BKGMEGJXQYEEFN-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)C1 ZINC000067280756 494507889 /nfs/dbraw/zinc/50/78/89/494507889.db2.gz BKGMEGJXQYEEFN-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000067452674 494544118 /nfs/dbraw/zinc/54/41/18/494544118.db2.gz LJGAIRITPPGFHJ-HDICACEKSA-N 1 3 354.498 3.123 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc(Br)c2)C[C@@H](C)O1 ZINC000067452707 494544593 /nfs/dbraw/zinc/54/45/93/494544593.db2.gz XWYMZLGBWIWPGO-CHWSQXEVSA-N 1 3 361.349 3.490 20 0 FGADHO CCN1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000056764391 494559362 /nfs/dbraw/zinc/55/93/62/494559362.db2.gz MJOSKFWQTBPCCB-UHFFFAOYSA-N 1 3 358.530 3.321 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncccc3C(C)C)CC2)CC1 ZINC000571416051 505728303 /nfs/dbraw/zinc/72/83/03/505728303.db2.gz IKSJYZJYTDUXAI-UHFFFAOYSA-N 1 3 358.530 3.340 20 0 FGADHO Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)c(OCC[NH+](C)C)c1 ZINC000074680355 494576974 /nfs/dbraw/zinc/57/69/74/494576974.db2.gz ZIFLEHSSECTAIC-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000074713511 494580176 /nfs/dbraw/zinc/58/01/76/494580176.db2.gz ROFDUABOHVJEQH-UHFFFAOYSA-N 1 3 372.557 3.026 20 0 FGADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)CC1 ZINC000115665101 494587549 /nfs/dbraw/zinc/58/75/49/494587549.db2.gz DDBDBKJNOAWGFU-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118267 494602899 /nfs/dbraw/zinc/60/28/99/494602899.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118267 494602904 /nfs/dbraw/zinc/60/29/04/494602904.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1F ZINC000092426672 494622636 /nfs/dbraw/zinc/62/26/36/494622636.db2.gz BPBYMHYHORRLKJ-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000131851997 494753349 /nfs/dbraw/zinc/75/33/49/494753349.db2.gz QMHCUMBZILFJMD-SFHVURJKSA-N 1 3 369.509 3.016 20 0 FGADHO CCC(CC)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820887 494761191 /nfs/dbraw/zinc/76/11/91/494761191.db2.gz CVMFFCWFEPCKCN-KRWDZBQOSA-N 1 3 360.546 3.313 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000080665374 494761536 /nfs/dbraw/zinc/76/15/36/494761536.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000080665374 494761540 /nfs/dbraw/zinc/76/15/40/494761540.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821424 494762788 /nfs/dbraw/zinc/76/27/88/494762788.db2.gz XXMNYDXYYOAGFV-NQIIRXRSSA-N 1 3 372.557 3.315 20 0 FGADHO CC(C)CCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821141 494763394 /nfs/dbraw/zinc/76/33/94/494763394.db2.gz BZEQSYIMWIBIPT-SFHVURJKSA-N 1 3 360.546 3.171 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116433858 494784727 /nfs/dbraw/zinc/78/47/27/494784727.db2.gz AMEHTUXWNLMLSR-ROUUACIJSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116433858 494784728 /nfs/dbraw/zinc/78/47/28/494784728.db2.gz AMEHTUXWNLMLSR-ROUUACIJSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000108965577 494811926 /nfs/dbraw/zinc/81/19/26/494811926.db2.gz JNKPHHHNSAYKPE-NRFANRHFSA-N 1 3 351.494 3.315 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116560885 494814818 /nfs/dbraw/zinc/81/48/18/494814818.db2.gz SXMUPGBOZIQHPK-MOPGFXCFSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560885 494814820 /nfs/dbraw/zinc/81/48/20/494814820.db2.gz SXMUPGBOZIQHPK-MOPGFXCFSA-N 1 3 372.557 3.195 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126733044 494827807 /nfs/dbraw/zinc/82/78/07/494827807.db2.gz UYDXSVUIAFBCHF-RBBKRZOGSA-N 1 3 367.537 3.371 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126733044 494827810 /nfs/dbraw/zinc/82/78/10/494827810.db2.gz UYDXSVUIAFBCHF-RBBKRZOGSA-N 1 3 367.537 3.371 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](NCCSCCOc2cccc(Br)c2)C1 ZINC000568664383 505747850 /nfs/dbraw/zinc/74/78/50/505747850.db2.gz RIWIDUYICAMYSJ-LSDHHAIUSA-N 1 3 373.360 3.421 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525171 494888150 /nfs/dbraw/zinc/88/81/50/494888150.db2.gz DBOREJHXDNTGJP-QGZVFWFLSA-N 1 3 370.463 3.095 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914664 494888859 /nfs/dbraw/zinc/88/88/59/494888859.db2.gz IRGVKYJLCKMMGY-LAUBAEHRSA-N 1 3 357.542 3.005 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597544 494902988 /nfs/dbraw/zinc/90/29/88/494902988.db2.gz AWNPIODQHYPQKV-NRFANRHFSA-N 1 3 370.585 3.136 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000127291293 494923185 /nfs/dbraw/zinc/92/31/85/494923185.db2.gz PEIPOFNZBMHUIU-XLIONFOSSA-N 1 3 372.557 3.212 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133451443 495015745 /nfs/dbraw/zinc/01/57/45/495015745.db2.gz OOIVXOUJCIEFCJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133451443 495015750 /nfs/dbraw/zinc/01/57/50/495015750.db2.gz OOIVXOUJCIEFCJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133451443 495015751 /nfs/dbraw/zinc/01/57/51/495015751.db2.gz OOIVXOUJCIEFCJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000127941950 495020757 /nfs/dbraw/zinc/02/07/57/495020757.db2.gz BOJUBRVKZALGFH-YYWHXJBOSA-N 1 3 374.573 3.223 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000127941950 495020760 /nfs/dbraw/zinc/02/07/60/495020760.db2.gz BOJUBRVKZALGFH-YYWHXJBOSA-N 1 3 374.573 3.223 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173257 495062679 /nfs/dbraw/zinc/06/26/79/495062679.db2.gz QDZUPBQHMFQMFN-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173257 495062683 /nfs/dbraw/zinc/06/26/83/495062683.db2.gz QDZUPBQHMFQMFN-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173257 495062685 /nfs/dbraw/zinc/06/26/85/495062685.db2.gz QDZUPBQHMFQMFN-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(C)(C)CC1 ZINC000123076605 495077079 /nfs/dbraw/zinc/07/70/79/495077079.db2.gz YIQRKHIBWUPQBG-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000134155559 495113942 /nfs/dbraw/zinc/11/39/42/495113942.db2.gz DNYPZIVWKTWGGA-UHFFFAOYSA-N 1 3 362.514 3.410 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000134155559 495113944 /nfs/dbraw/zinc/11/39/44/495113944.db2.gz DNYPZIVWKTWGGA-UHFFFAOYSA-N 1 3 362.514 3.410 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123341302 495117576 /nfs/dbraw/zinc/11/75/76/495117576.db2.gz SBLOGSKZHZMQQG-INIZCTEOSA-N 1 3 365.949 3.399 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000103211280 495204701 /nfs/dbraw/zinc/20/47/01/495204701.db2.gz PWHBWNNTCCTWRD-UHFFFAOYSA-N 1 3 363.889 3.165 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000103506861 495243909 /nfs/dbraw/zinc/24/39/09/495243909.db2.gz UVZVOCZIRHKAQX-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105113378 495337959 /nfs/dbraw/zinc/33/79/59/495337959.db2.gz XXBLQHRSLFDVGH-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105113378 495337961 /nfs/dbraw/zinc/33/79/61/495337961.db2.gz XXBLQHRSLFDVGH-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000105123952 495339166 /nfs/dbraw/zinc/33/91/66/495339166.db2.gz LRTPQVLKSMFAMO-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000105123952 495339170 /nfs/dbraw/zinc/33/91/70/495339170.db2.gz LRTPQVLKSMFAMO-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000105134684 495339807 /nfs/dbraw/zinc/33/98/07/495339807.db2.gz BERYCLKKYGRIOD-WOJBJXKFSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000105134684 495339810 /nfs/dbraw/zinc/33/98/10/495339810.db2.gz BERYCLKKYGRIOD-WOJBJXKFSA-N 1 3 364.578 3.301 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450249 /nfs/dbraw/zinc/45/02/49/495450249.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450256 /nfs/dbraw/zinc/45/02/56/495450256.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388341 495450821 /nfs/dbraw/zinc/45/08/21/495450821.db2.gz SROVAUUZNOTIST-KXBFYZLASA-N 1 3 354.922 3.195 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000131119047 495495204 /nfs/dbraw/zinc/49/52/04/495495204.db2.gz NKPNYJPQVVAQCX-RBBKRZOGSA-N 1 3 365.521 3.404 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107636784 495529956 /nfs/dbraw/zinc/52/99/56/495529956.db2.gz JKSVMOAGHPDGEL-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000176218012 495551087 /nfs/dbraw/zinc/55/10/87/495551087.db2.gz OTDGXBHJGVIBKC-MRXNPFEDSA-N 1 3 369.509 3.211 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154275271 495565144 /nfs/dbraw/zinc/56/51/44/495565144.db2.gz WEPWYLMPTMBDRG-IAGOWNOFSA-N 1 3 360.571 3.406 20 0 FGADHO COC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154398957 495604856 /nfs/dbraw/zinc/60/48/56/495604856.db2.gz RVHVSFDHHAWTCG-SFHVURJKSA-N 1 3 373.463 3.010 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154410664 495607925 /nfs/dbraw/zinc/60/79/25/495607925.db2.gz BPVRCUVFJNLKNJ-KRWDZBQOSA-N 1 3 355.473 3.356 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460311 495622656 /nfs/dbraw/zinc/62/26/56/495622656.db2.gz IZQRKVRXTZBKQV-SFHVURJKSA-N 1 3 363.546 3.081 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529768 495644905 /nfs/dbraw/zinc/64/49/05/495644905.db2.gz YKPLULZTLMYZDE-MRXNPFEDSA-N 1 3 355.473 3.356 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676065 495673598 /nfs/dbraw/zinc/67/35/98/495673598.db2.gz QSQBPAJJLIGCDS-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676065 495673605 /nfs/dbraw/zinc/67/36/05/495673605.db2.gz QSQBPAJJLIGCDS-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676065 495673614 /nfs/dbraw/zinc/67/36/14/495673614.db2.gz QSQBPAJJLIGCDS-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000151000198 495708248 /nfs/dbraw/zinc/70/82/48/495708248.db2.gz KVUKEHCHFPFQPP-CQSZACIVSA-N 1 3 359.436 3.262 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176626165 495725332 /nfs/dbraw/zinc/72/53/32/495725332.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176626165 495725340 /nfs/dbraw/zinc/72/53/40/495725340.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000154837576 495744255 /nfs/dbraw/zinc/74/42/55/495744255.db2.gz WSKWHQZMCMGYCV-JOCHJYFZSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000183073133 495823515 /nfs/dbraw/zinc/82/35/15/495823515.db2.gz YLWVOPPWMHWCMM-GOSISDBHSA-N 1 3 356.514 3.142 20 0 FGADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000577864431 505808384 /nfs/dbraw/zinc/80/83/84/505808384.db2.gz LBBFOUFOWPSYTF-NRFANRHFSA-N 1 3 357.542 3.450 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000174345178 495920484 /nfs/dbraw/zinc/92/04/84/495920484.db2.gz LLPSLASGOQCJIF-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO CC(=O)Nc1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155419613 495952147 /nfs/dbraw/zinc/95/21/47/495952147.db2.gz UZBVBQOIMYDGEI-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587158 496004186 /nfs/dbraw/zinc/00/41/86/496004186.db2.gz SMTJVSNPYBUXPK-CABCVRRESA-N 1 3 359.436 3.262 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639117 496022108 /nfs/dbraw/zinc/02/21/08/496022108.db2.gz JISWRYHXAYMNQE-RHSMWYFYSA-N 1 3 353.963 3.493 20 0 FGADHO CC[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772053 496139802 /nfs/dbraw/zinc/13/98/02/496139802.db2.gz QEGXQUTVRZGZPY-NHCUHLMSSA-N 1 3 369.509 3.155 20 0 FGADHO CC[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772030 496140180 /nfs/dbraw/zinc/14/01/80/496140180.db2.gz QEGXQUTVRZGZPY-LEWJYISDSA-N 1 3 369.509 3.155 20 0 FGADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)C2 ZINC000180907283 496194802 /nfs/dbraw/zinc/19/48/02/496194802.db2.gz DETPXWLWRCIBSV-JTSKRJEESA-N 1 3 365.521 3.310 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000175393116 496370821 /nfs/dbraw/zinc/37/08/21/496370821.db2.gz AXNQGLLUZDINDX-NRFANRHFSA-N 1 3 372.557 3.085 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000162572770 496375365 /nfs/dbraw/zinc/37/53/65/496375365.db2.gz LDMGCMJSWIKJCN-LMKMVOKYSA-N 1 3 360.523 3.215 20 0 FGADHO CC[C@@H](C)[C@@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000175412850 496380630 /nfs/dbraw/zinc/38/06/30/496380630.db2.gz LGXJKMVRQQAKEF-IAGOWNOFSA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553507 496436653 /nfs/dbraw/zinc/43/66/53/496436653.db2.gz MIKRGFRPUPYCIU-OAQYLSRUSA-N 1 3 374.573 3.315 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445375 496458915 /nfs/dbraw/zinc/45/89/15/496458915.db2.gz BZUPFTJKTRQMBC-OXJNMPFZSA-N 1 3 358.482 3.020 20 0 FGADHO [NH3+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)C2CC3CC(C2)CC1C3 ZINC000571918907 505845771 /nfs/dbraw/zinc/84/57/71/505845771.db2.gz QNYOBMPFBJPSDR-UHFFFAOYSA-N 1 3 367.537 3.166 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932128 505848411 /nfs/dbraw/zinc/84/84/11/505848411.db2.gz ZYBYJXMMXHUHIK-OAQYLSRUSA-N 1 3 369.553 3.442 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1cccs1 ZINC000184743170 496515732 /nfs/dbraw/zinc/51/57/32/496515732.db2.gz NIJSCPFEHDCYJR-IAGOWNOFSA-N 1 3 371.550 3.111 20 0 FGADHO CCc1ccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000163599661 496536308 /nfs/dbraw/zinc/53/63/08/496536308.db2.gz XSUTUABUCMEJLE-SFTDATJTSA-N 1 3 353.510 3.448 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187765901 496563352 /nfs/dbraw/zinc/56/33/52/496563352.db2.gz MQSKWAYTYITVSY-LJQANCHMSA-N 1 3 363.571 3.239 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163927211 496570451 /nfs/dbraw/zinc/57/04/51/496570451.db2.gz LHYKLQQXQSBNDK-QFIPXVFZSA-N 1 3 369.557 3.059 20 0 FGADHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000187937960 496624890 /nfs/dbraw/zinc/62/48/90/496624890.db2.gz AVFVKAUHDKAFBF-HXUWFJFHSA-N 1 3 357.473 3.358 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173319009 496640526 /nfs/dbraw/zinc/64/05/26/496640526.db2.gz YNLBKRDLIKIYTL-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004077 496643957 /nfs/dbraw/zinc/64/39/57/496643957.db2.gz SRKUPEWZJCQQKZ-JXXFODFXSA-N 1 3 355.482 3.028 20 0 FGADHO CN(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167669505 496704497 /nfs/dbraw/zinc/70/44/97/496704497.db2.gz GHOKALGSBKXGDT-SFTDATJTSA-N 1 3 357.542 3.407 20 0 FGADHO C[C@@H]1C[C@@H](NCc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750997 496773745 /nfs/dbraw/zinc/77/37/45/496773745.db2.gz HRNLSBPDPVAETF-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@@H](NCc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750997 496773751 /nfs/dbraw/zinc/77/37/51/496773751.db2.gz HRNLSBPDPVAETF-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000268783144 496784186 /nfs/dbraw/zinc/78/41/86/496784186.db2.gz JGODFSHLRGYXQZ-LAUBAEHRSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000268783144 496784190 /nfs/dbraw/zinc/78/41/90/496784190.db2.gz JGODFSHLRGYXQZ-LAUBAEHRSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793335 496788637 /nfs/dbraw/zinc/78/86/37/496788637.db2.gz NBNLKHDQMDGJEO-PKOBYXMFSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793335 496788642 /nfs/dbraw/zinc/78/86/42/496788642.db2.gz NBNLKHDQMDGJEO-PKOBYXMFSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156655 496794364 /nfs/dbraw/zinc/79/43/64/496794364.db2.gz TYJXLLRORKNTAO-DLBZAZTESA-N 1 3 352.544 3.253 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156655 496794367 /nfs/dbraw/zinc/79/43/67/496794367.db2.gz TYJXLLRORKNTAO-DLBZAZTESA-N 1 3 352.544 3.253 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000247187602 496800248 /nfs/dbraw/zinc/80/02/48/496800248.db2.gz SNHBEYOHMOLPNA-DYESRHJHSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000247187602 496800252 /nfs/dbraw/zinc/80/02/52/496800252.db2.gz SNHBEYOHMOLPNA-DYESRHJHSA-N 1 3 351.494 3.235 20 0 FGADHO CN(c1ccccc1CN1CCC[C@H]([NH+](C)C)CC1)C1CCN(C)CC1 ZINC000277551866 496809069 /nfs/dbraw/zinc/80/90/69/496809069.db2.gz RBAWAYINHIOOMD-FQEVSTJZSA-N 1 3 358.574 3.133 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000247221914 496809545 /nfs/dbraw/zinc/80/95/45/496809545.db2.gz XQCIYXCDLQCFBG-ZPXGPAEQSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000247221914 496809552 /nfs/dbraw/zinc/80/95/52/496809552.db2.gz XQCIYXCDLQCFBG-ZPXGPAEQSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000247221914 496809557 /nfs/dbraw/zinc/80/95/57/496809557.db2.gz XQCIYXCDLQCFBG-ZPXGPAEQSA-N 1 3 359.558 3.114 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962069 496837158 /nfs/dbraw/zinc/83/71/58/496837158.db2.gz XOKKZMSTAPIUNA-ZPMCFJSWSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962069 496837164 /nfs/dbraw/zinc/83/71/64/496837164.db2.gz XOKKZMSTAPIUNA-ZPMCFJSWSA-N 1 3 354.494 3.229 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000195341479 496895295 /nfs/dbraw/zinc/89/52/95/496895295.db2.gz FEMXPRDPRVEPQP-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Cl)c3F)CC2)CC1 ZINC000195343026 496896194 /nfs/dbraw/zinc/89/61/94/496896194.db2.gz BEAHDMCMVDCXAA-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248517245 497029776 /nfs/dbraw/zinc/02/97/76/497029776.db2.gz PHAFUTZSPNYINX-RBUKOAKNSA-N 1 3 366.571 3.401 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248517245 497029780 /nfs/dbraw/zinc/02/97/80/497029780.db2.gz PHAFUTZSPNYINX-RBUKOAKNSA-N 1 3 366.571 3.401 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C[C@@H](C)O1 ZINC000248994548 497147789 /nfs/dbraw/zinc/14/77/89/497147789.db2.gz OKVZNGCIBGTVQE-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(Br)c1[O-] ZINC000278538349 497147837 /nfs/dbraw/zinc/14/78/37/497147837.db2.gz WVFZZPHDNNJOMK-UHFFFAOYSA-N 1 3 369.303 3.127 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C[C@@H](C)O1 ZINC000248994548 497147793 /nfs/dbraw/zinc/14/77/93/497147793.db2.gz OKVZNGCIBGTVQE-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@@H](C)O1 ZINC000248994548 497147800 /nfs/dbraw/zinc/14/78/00/497147800.db2.gz OKVZNGCIBGTVQE-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNCc2cnc3c(c2)c(C)nn3C)cc1 ZINC000236936105 497169627 /nfs/dbraw/zinc/16/96/27/497169627.db2.gz GIJLCCVAFFVKLS-UHFFFAOYSA-N 1 3 351.498 3.408 20 0 FGADHO CN1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085281 497189776 /nfs/dbraw/zinc/18/97/76/497189776.db2.gz BPZGWIWCZUQAHB-ZBFHGGJFSA-N 1 3 371.447 3.189 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754428 497204412 /nfs/dbraw/zinc/20/44/12/497204412.db2.gz SAJPEXBBCWGWOP-OALUTQOASA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754428 497204419 /nfs/dbraw/zinc/20/44/19/497204419.db2.gz SAJPEXBBCWGWOP-OALUTQOASA-N 1 3 365.587 3.052 20 0 FGADHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000237404169 497232376 /nfs/dbraw/zinc/23/23/76/497232376.db2.gz GLVMVOWDXJPVGS-JIMIUWDKSA-N 1 3 369.553 3.071 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1F ZINC000578232239 505893844 /nfs/dbraw/zinc/89/38/44/505893844.db2.gz MQMRQGRDNWGZIF-NRFANRHFSA-N 1 3 372.484 3.089 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237633485 497266576 /nfs/dbraw/zinc/26/65/76/497266576.db2.gz GMTXIJLOBSLNIJ-OXQOHEQNSA-N 1 3 355.482 3.210 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000251500805 497274301 /nfs/dbraw/zinc/27/43/01/497274301.db2.gz WEHOWYIRNVFVBS-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000251500805 497274305 /nfs/dbraw/zinc/27/43/05/497274305.db2.gz WEHOWYIRNVFVBS-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933441 497297928 /nfs/dbraw/zinc/29/79/28/497297928.db2.gz MRXJVAJNMIQLLX-QWHCGFSZSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933441 497297930 /nfs/dbraw/zinc/29/79/30/497297930.db2.gz MRXJVAJNMIQLLX-QWHCGFSZSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000189933441 497297932 /nfs/dbraw/zinc/29/79/32/497297932.db2.gz MRXJVAJNMIQLLX-QWHCGFSZSA-N 1 3 358.395 3.443 20 0 FGADHO Cc1ccc(CN2CCC(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000237867030 497304604 /nfs/dbraw/zinc/30/46/04/497304604.db2.gz NDKYXKMZNKFQLQ-FRIKZZABSA-N 1 3 369.553 3.244 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237923430 497315254 /nfs/dbraw/zinc/31/52/54/497315254.db2.gz OIBKEOMRGJSEPK-QZTJIDSGSA-N 1 3 357.523 3.481 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000245203170 497376775 /nfs/dbraw/zinc/37/67/75/497376775.db2.gz ZZNZRWVUJLGNJP-GUDVDZBRSA-N 1 3 357.542 3.276 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583889 497465330 /nfs/dbraw/zinc/46/53/30/497465330.db2.gz ACPQZBWEHKAFJB-AEFFLSMTSA-N 1 3 364.534 3.015 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583889 497465334 /nfs/dbraw/zinc/46/53/34/497465334.db2.gz ACPQZBWEHKAFJB-AEFFLSMTSA-N 1 3 364.534 3.015 20 0 FGADHO Cc1ccc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262092336 497507251 /nfs/dbraw/zinc/50/72/51/497507251.db2.gz HGHAWZHSTFDSFK-QFIPXVFZSA-N 1 3 365.521 3.054 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccsc1 ZINC000262331056 497541440 /nfs/dbraw/zinc/54/14/40/497541440.db2.gz RSOBUGLCMXTMJT-MLECAZACSA-N 1 3 363.571 3.401 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272223086 497568688 /nfs/dbraw/zinc/56/86/88/497568688.db2.gz AJHHZQPOIQGWAD-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223086 497568692 /nfs/dbraw/zinc/56/86/92/497568692.db2.gz AJHHZQPOIQGWAD-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223086 497568698 /nfs/dbraw/zinc/56/86/98/497568698.db2.gz AJHHZQPOIQGWAD-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300475 497590195 /nfs/dbraw/zinc/59/01/95/497590195.db2.gz PRNBJGDBXCQMQH-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300475 497590196 /nfs/dbraw/zinc/59/01/96/497590196.db2.gz PRNBJGDBXCQMQH-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272529245 497652627 /nfs/dbraw/zinc/65/26/27/497652627.db2.gz AIIJNQRUSDOVKH-PKOBYXMFSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](NCCNC(=O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529245 497652630 /nfs/dbraw/zinc/65/26/30/497652630.db2.gz AIIJNQRUSDOVKH-PKOBYXMFSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](NCCNC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529245 497652633 /nfs/dbraw/zinc/65/26/33/497652633.db2.gz AIIJNQRUSDOVKH-PKOBYXMFSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246260229 497676504 /nfs/dbraw/zinc/67/65/04/497676504.db2.gz QQHBCNZIAYNRCL-NXLVEIQXSA-N 1 3 359.558 3.301 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410040 497724546 /nfs/dbraw/zinc/72/45/46/497724546.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246410040 497724547 /nfs/dbraw/zinc/72/45/47/497724547.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 1 3 367.537 3.126 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H](N)c1ccccc1 ZINC000263258961 497743974 /nfs/dbraw/zinc/74/39/74/497743974.db2.gz LUHCOIYBMZMBER-HUUJSLGLSA-N 1 3 357.542 3.436 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H](N)c1ccccc1 ZINC000263258961 497743981 /nfs/dbraw/zinc/74/39/81/497743981.db2.gz LUHCOIYBMZMBER-HUUJSLGLSA-N 1 3 357.542 3.436 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1Cl ZINC000263296161 497752391 /nfs/dbraw/zinc/75/23/91/497752391.db2.gz XZJPCNMRTNBIGH-XKQJLSEDSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000263315542 497755756 /nfs/dbraw/zinc/75/57/56/497755756.db2.gz ZKKHEEDYQKEFFY-RBBKRZOGSA-N 1 3 370.541 3.065 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246577851 497780137 /nfs/dbraw/zinc/78/01/37/497780137.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246577851 497780141 /nfs/dbraw/zinc/78/01/41/497780141.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO O[C@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267608 497870706 /nfs/dbraw/zinc/87/07/06/497870706.db2.gz JFYMGIHJQNXRBX-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267608 497870712 /nfs/dbraw/zinc/87/07/12/497870712.db2.gz JFYMGIHJQNXRBX-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3cc(C)ccn3)cc2)CC1 ZINC000285505043 498110334 /nfs/dbraw/zinc/11/03/34/498110334.db2.gz CVROUUFMCNIWSN-IBGZPJMESA-N 1 3 352.526 3.378 20 0 FGADHO Cc1nc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000578644332 505988343 /nfs/dbraw/zinc/98/83/43/505988343.db2.gz WKCXALCOHDMLIV-UHFFFAOYSA-N 1 3 356.514 3.187 20 0 FGADHO Cc1c([C@@H](C)NCCOCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000572538402 505993004 /nfs/dbraw/zinc/99/30/04/505993004.db2.gz FGNCRTWOCWQMIJ-CQSZACIVSA-N 1 3 350.894 3.063 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927844 498214401 /nfs/dbraw/zinc/21/44/01/498214401.db2.gz CPJHCUNSNJGAHV-KCSJKLDESA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927844 498214407 /nfs/dbraw/zinc/21/44/07/498214407.db2.gz CPJHCUNSNJGAHV-KCSJKLDESA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927844 498214412 /nfs/dbraw/zinc/21/44/12/498214412.db2.gz CPJHCUNSNJGAHV-KCSJKLDESA-N 1 3 369.553 3.025 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000289660625 498235277 /nfs/dbraw/zinc/23/52/77/498235277.db2.gz CUEFPXNPEXNTCY-HXUWFJFHSA-N 1 3 351.494 3.031 20 0 FGADHO FC(F)(F)CN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000578720965 506004970 /nfs/dbraw/zinc/00/49/70/506004970.db2.gz BTQSLFOVRBVAKK-CADBVGFASA-N 1 3 367.459 3.408 20 0 FGADHO FC(F)(F)CN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000578720965 506004972 /nfs/dbraw/zinc/00/49/72/506004972.db2.gz BTQSLFOVRBVAKK-CADBVGFASA-N 1 3 367.459 3.408 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000360384963 498270727 /nfs/dbraw/zinc/27/07/27/498270727.db2.gz JXWVOXMIWKGAQF-HRAATJIYSA-N 1 3 352.526 3.314 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)CC3 ZINC000361068858 498340924 /nfs/dbraw/zinc/34/09/24/498340924.db2.gz RPOMJWSQNLUUES-MSOLQXFVSA-N 1 3 366.553 3.092 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)CC3 ZINC000361068870 498341454 /nfs/dbraw/zinc/34/14/54/498341454.db2.gz RPOMJWSQNLUUES-QZTJIDSGSA-N 1 3 366.553 3.092 20 0 FGADHO O=C1O[C@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278947 498384787 /nfs/dbraw/zinc/38/47/87/498384787.db2.gz XGFZHDNWOMXGPE-FQEVSTJZSA-N 1 3 368.521 3.460 20 0 FGADHO O=C1O[C@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278947 498384795 /nfs/dbraw/zinc/38/47/95/498384795.db2.gz XGFZHDNWOMXGPE-FQEVSTJZSA-N 1 3 368.521 3.460 20 0 FGADHO c1ccc(CN2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000297291903 498393605 /nfs/dbraw/zinc/39/36/05/498393605.db2.gz AMPINVBUEKLURP-OAQYLSRUSA-N 1 3 350.510 3.305 20 0 FGADHO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(CN2CCCCC2)cc1 ZINC000297313319 498401418 /nfs/dbraw/zinc/40/14/18/498401418.db2.gz YSFJMCWDYXMRLS-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO Cc1nc2c(c(NCC3(N4CCCCC4)CC[NH+](C)CC3)n1)CCCC2 ZINC000302109667 498409121 /nfs/dbraw/zinc/40/91/21/498409121.db2.gz TXWAMEPJIMNRNT-UHFFFAOYSA-N 1 3 357.546 3.026 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000297356819 498419001 /nfs/dbraw/zinc/41/90/01/498419001.db2.gz FLDXAGLZDCOLTA-NQIIRXRSSA-N 1 3 350.510 3.303 20 0 FGADHO C[C@@H]1C[N@H+](CCCN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793190 498491154 /nfs/dbraw/zinc/49/11/54/498491154.db2.gz UNGPLUMHQOZCCR-DBXWQHBBSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]1C[N@@H+](CCCN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793190 498491159 /nfs/dbraw/zinc/49/11/59/498491159.db2.gz UNGPLUMHQOZCCR-DBXWQHBBSA-N 1 3 364.505 3.384 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000569916973 506046476 /nfs/dbraw/zinc/04/64/76/506046476.db2.gz SUOGJKQGQMLSNM-UHFFFAOYSA-N 1 3 373.463 3.092 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482412 498529621 /nfs/dbraw/zinc/52/96/21/498529621.db2.gz WXQXDOXALVWMPG-JKSUJKDBSA-N 1 3 360.571 3.404 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512459 498541022 /nfs/dbraw/zinc/54/10/22/498541022.db2.gz ZDBFKAMUGJQSAP-LBPRGKRZSA-N 1 3 359.345 3.252 20 0 FGADHO Cc1cc(OCCC[C@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1Cl ZINC000282586377 498570746 /nfs/dbraw/zinc/57/07/46/498570746.db2.gz ICPURXYGXRHUBH-INIZCTEOSA-N 1 3 354.922 3.242 20 0 FGADHO Clc1ccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000569957940 506056394 /nfs/dbraw/zinc/05/63/94/506056394.db2.gz XHTCURNBQFGKPI-BRWVUGGUSA-N 1 3 360.889 3.443 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(c4ccccc4)C3)CC2)CC1 ZINC000581734208 506056509 /nfs/dbraw/zinc/05/65/09/506056509.db2.gz DTLZOHXPWREBLU-UHFFFAOYSA-N 1 3 369.553 3.245 20 0 FGADHO C[N@H+](CCCNC(=O)NCC(C)(C)N1CCCCC1)C1CCCCC1 ZINC000302969968 498634774 /nfs/dbraw/zinc/63/47/74/498634774.db2.gz SCFLAMUCDAIECG-UHFFFAOYSA-N 1 3 352.567 3.205 20 0 FGADHO C[N@@H+](CCCNC(=O)NCC(C)(C)N1CCCCC1)C1CCCCC1 ZINC000302969968 498634782 /nfs/dbraw/zinc/63/47/82/498634782.db2.gz SCFLAMUCDAIECG-UHFFFAOYSA-N 1 3 352.567 3.205 20 0 FGADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638751 /nfs/dbraw/zinc/63/87/51/498638751.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638760 /nfs/dbraw/zinc/63/87/60/498638760.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000576043167 506062203 /nfs/dbraw/zinc/06/22/03/506062203.db2.gz DWTHYWGFKVJLFZ-WLRLJWMZSA-N 1 3 357.542 3.311 20 0 FGADHO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298227946 498701558 /nfs/dbraw/zinc/70/15/58/498701558.db2.gz AZWMNHWDUSWNTQ-OAQYLSRUSA-N 1 3 355.482 3.161 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469374 498701670 /nfs/dbraw/zinc/70/16/70/498701670.db2.gz GSODKTDMOAOPID-GDBMZVCRSA-N 1 3 370.335 3.071 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000287358619 498729631 /nfs/dbraw/zinc/72/96/31/498729631.db2.gz ZUSFSUCQQCHPSR-JGUMPVPUSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000287358619 498729628 /nfs/dbraw/zinc/72/96/28/498729628.db2.gz ZUSFSUCQQCHPSR-JGUMPVPUSA-N 1 3 372.557 3.336 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)C1CCN(Cc2cccnc2)CC1 ZINC000363259140 498732302 /nfs/dbraw/zinc/73/23/02/498732302.db2.gz LSTKEMJYCBEIKU-UHFFFAOYSA-N 1 3 372.557 3.066 20 0 FGADHO CCOc1c(Br)cc(C[NH2+]C[C@H](C)CN(C)C)cc1OC ZINC000314387559 498775186 /nfs/dbraw/zinc/77/51/86/498775186.db2.gz RRKLCAFHZPTTJA-LBPRGKRZSA-N 1 3 359.308 3.144 20 0 FGADHO OC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572962265 506092213 /nfs/dbraw/zinc/09/22/13/506092213.db2.gz BHFYXKBOPMSHHR-GOSISDBHSA-N 1 3 365.399 3.392 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366246741 498838898 /nfs/dbraw/zinc/83/88/98/498838898.db2.gz FMQTWOJFURJJDK-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H](N(C)Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091960 498906439 /nfs/dbraw/zinc/90/64/39/498906439.db2.gz FJTFAYAOTWRWNN-HUUCEWRRSA-N 1 3 354.510 3.008 20 0 FGADHO C[C@@H](N(C)Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091960 498906444 /nfs/dbraw/zinc/90/64/44/498906444.db2.gz FJTFAYAOTWRWNN-HUUCEWRRSA-N 1 3 354.510 3.008 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000570207693 506115253 /nfs/dbraw/zinc/11/52/53/506115253.db2.gz MHZYKLQDKFUBQX-QMMLZNLJSA-N 1 3 365.521 3.492 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000570207565 506115274 /nfs/dbraw/zinc/11/52/74/506115274.db2.gz MHZYKLQDKFUBQX-JRGCBEDISA-N 1 3 365.521 3.492 20 0 FGADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113051 506121713 /nfs/dbraw/zinc/12/17/13/506121713.db2.gz QINITECXYKOWJB-SFTDATJTSA-N 1 3 360.542 3.176 20 0 FGADHO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1[C@H](C)CC[C@H]1C ZINC000299149527 498979071 /nfs/dbraw/zinc/97/90/71/498979071.db2.gz YRHTZJJJHSWRLS-ZACQAIPSSA-N 1 3 358.530 3.393 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000288324216 498995352 /nfs/dbraw/zinc/99/53/52/498995352.db2.gz YBGGUFKUBGBUDU-JYBIWHBTSA-N 1 3 360.546 3.050 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000288324216 498995357 /nfs/dbraw/zinc/99/53/57/498995357.db2.gz YBGGUFKUBGBUDU-JYBIWHBTSA-N 1 3 360.546 3.050 20 0 FGADHO O=C([C@@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063302 506125405 /nfs/dbraw/zinc/12/54/05/506125405.db2.gz WZQCXCOKXYZREM-LEWJYISDSA-N 1 3 355.526 3.062 20 0 FGADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000291650505 499023571 /nfs/dbraw/zinc/02/35/71/499023571.db2.gz KPHSUOOVWZZZKW-HXUWFJFHSA-N 1 3 357.542 3.135 20 0 FGADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877672 499036155 /nfs/dbraw/zinc/03/61/55/499036155.db2.gz DUMFWMDSNIMMMH-RTBURBONSA-N 1 3 371.573 3.448 20 0 FGADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877665 499036484 /nfs/dbraw/zinc/03/64/84/499036484.db2.gz DUMFWMDSNIMMMH-MOPGFXCFSA-N 1 3 371.573 3.448 20 0 FGADHO CC(C)(O)c1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000295545245 499048026 /nfs/dbraw/zinc/04/80/26/499048026.db2.gz WPRMHULPCIIKNE-UHFFFAOYSA-N 1 3 368.521 3.161 20 0 FGADHO Cc1ccc2cc(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)ccc2n1 ZINC000364115051 499118100 /nfs/dbraw/zinc/11/81/00/499118100.db2.gz HDXYVXQIMKLLRD-UHFFFAOYSA-N 1 3 366.553 3.393 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000372488072 499134035 /nfs/dbraw/zinc/13/40/35/499134035.db2.gz WZPHZWSCKYWOIX-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO Cc1ccc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000367027593 499136225 /nfs/dbraw/zinc/13/62/25/499136225.db2.gz GGJOUXVTUNTGMU-IFMALSPDSA-N 1 3 359.558 3.030 20 0 FGADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111299 499150645 /nfs/dbraw/zinc/15/06/45/499150645.db2.gz VUPLYCDEKCGDOC-KRWDZBQOSA-N 1 3 372.944 3.348 20 0 FGADHO CN1CCC2(CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000370086162 499177961 /nfs/dbraw/zinc/17/79/61/499177961.db2.gz ZVSBLZLPHSQSHT-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CN1CCC2(CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000370086162 499177962 /nfs/dbraw/zinc/17/79/62/499177962.db2.gz ZVSBLZLPHSQSHT-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1OC ZINC000370163826 499191207 /nfs/dbraw/zinc/19/12/07/499191207.db2.gz UHDQTJDSNZZZAB-FZKQIMNGSA-N 1 3 374.510 3.395 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367605899 499216853 /nfs/dbraw/zinc/21/68/53/499216853.db2.gz IIAPBLUIRFPRDB-PCCBWWKXSA-N 1 3 355.526 3.275 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367605899 499216855 /nfs/dbraw/zinc/21/68/55/499216855.db2.gz IIAPBLUIRFPRDB-PCCBWWKXSA-N 1 3 355.526 3.275 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367605899 499216857 /nfs/dbraw/zinc/21/68/57/499216857.db2.gz IIAPBLUIRFPRDB-PCCBWWKXSA-N 1 3 355.526 3.275 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236087 /nfs/dbraw/zinc/23/60/87/499236087.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 1 3 359.558 3.398 20 0 FGADHO Cc1nnc(N2CCC([NH2+][C@@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)s1 ZINC000367832129 499236839 /nfs/dbraw/zinc/23/68/39/499236839.db2.gz PFHHLFYCZYNQFA-HOCLYGCPSA-N 1 3 363.575 3.058 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370695618 499245033 /nfs/dbraw/zinc/24/50/33/499245033.db2.gz BUIDNBHTHKQNMC-WMZHIEFXSA-N 1 3 364.537 3.206 20 0 FGADHO COCCC1(C[N@@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCCCC1 ZINC000368052708 499259896 /nfs/dbraw/zinc/25/98/96/499259896.db2.gz XWUFFHLIBGSEAD-LJQANCHMSA-N 1 3 351.579 3.074 20 0 FGADHO COCCC1(C[N@H+]2CCN(C3CCN(C)CC3)[C@H](C)C2)CCCCC1 ZINC000368052708 499259898 /nfs/dbraw/zinc/25/98/98/499259898.db2.gz XWUFFHLIBGSEAD-LJQANCHMSA-N 1 3 351.579 3.074 20 0 FGADHO CN1CCC(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000368064764 499260912 /nfs/dbraw/zinc/26/09/12/499260912.db2.gz NXZFIDKEWFZAON-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO CN1CCC(CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000368064764 499260914 /nfs/dbraw/zinc/26/09/14/499260914.db2.gz NXZFIDKEWFZAON-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO C[C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213420 499274394 /nfs/dbraw/zinc/27/43/94/499274394.db2.gz KXGBIHJHQARMOY-ICSRJNTNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000368213420 499274395 /nfs/dbraw/zinc/27/43/95/499274395.db2.gz KXGBIHJHQARMOY-ICSRJNTNSA-N 1 3 365.521 3.389 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000369016151 499357529 /nfs/dbraw/zinc/35/75/29/499357529.db2.gz MISJKQYQVNJGES-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC(=O)Nc3ccc(F)cc32)cc1 ZINC000371725354 499359323 /nfs/dbraw/zinc/35/93/23/499359323.db2.gz CZPAFWIXDSZDNZ-IBGZPJMESA-N 1 3 371.456 3.329 20 0 FGADHO Cc1cnc([C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)s1 ZINC000369186442 499375759 /nfs/dbraw/zinc/37/57/59/499375759.db2.gz CUKLEANEYZXUTG-SFHVURJKSA-N 1 3 350.576 3.047 20 0 FGADHO Cc1cnc([C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)s1 ZINC000369186442 499375761 /nfs/dbraw/zinc/37/57/61/499375761.db2.gz CUKLEANEYZXUTG-SFHVURJKSA-N 1 3 350.576 3.047 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2)C1CCN(C)CC1 ZINC000375301188 499505024 /nfs/dbraw/zinc/50/50/24/499505024.db2.gz FKKXFURILDWORN-QFIPXVFZSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2)C1CCN(C)CC1 ZINC000375301188 499505026 /nfs/dbraw/zinc/50/50/26/499505026.db2.gz FKKXFURILDWORN-QFIPXVFZSA-N 1 3 357.542 3.220 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593646 499536114 /nfs/dbraw/zinc/53/61/14/499536114.db2.gz YYOKFOAERJTNSP-CDNPAEQRSA-N 1 3 365.521 3.464 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593649 499536124 /nfs/dbraw/zinc/53/61/24/499536124.db2.gz YYOKFOAERJTNSP-SXSPYAJSSA-N 1 3 365.521 3.464 20 0 FGADHO C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766711 499545984 /nfs/dbraw/zinc/54/59/84/499545984.db2.gz VYQZYAKNTYFJFW-CNNODRBYSA-N 1 3 365.521 3.446 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732924 499546114 /nfs/dbraw/zinc/54/61/14/499546114.db2.gz DAHIGKXNTKNVRO-SBHAEUEKSA-N 1 3 357.542 3.135 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330959 499550682 /nfs/dbraw/zinc/55/06/82/499550682.db2.gz RNEFQWAQLJCCAR-AZUAARDMSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330959 499550683 /nfs/dbraw/zinc/55/06/83/499550683.db2.gz RNEFQWAQLJCCAR-AZUAARDMSA-N 1 3 374.912 3.191 20 0 FGADHO Oc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000397625327 499564780 /nfs/dbraw/zinc/56/47/80/499564780.db2.gz XTHORHKAUZQBAI-JOCHJYFZSA-N 1 3 366.505 3.386 20 0 FGADHO C[C@@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000377266320 499675433 /nfs/dbraw/zinc/67/54/33/499675433.db2.gz PZUFYOJFZHJASX-UTKZUKDTSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000377266318 499675470 /nfs/dbraw/zinc/67/54/70/499675470.db2.gz PZUFYOJFZHJASX-DYESRHJHSA-N 1 3 372.557 3.384 20 0 FGADHO CN(Cc1cnc(-c2ccco2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623096 499711894 /nfs/dbraw/zinc/71/18/94/499711894.db2.gz DTGIUTVHCLRXKJ-MRXNPFEDSA-N 1 3 360.527 3.003 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377908160 499747348 /nfs/dbraw/zinc/74/73/48/499747348.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 1 3 357.542 3.401 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377908160 499747349 /nfs/dbraw/zinc/74/73/49/499747349.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 1 3 357.542 3.401 20 0 FGADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)s1 ZINC000414180483 499766471 /nfs/dbraw/zinc/76/64/71/499766471.db2.gz BGHBFCUTVXUCFB-HNNXBMFYSA-N 1 3 371.978 3.239 20 0 FGADHO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000414190750 499767155 /nfs/dbraw/zinc/76/71/55/499767155.db2.gz ROACXSQFOLQZKL-LPHOPBHVSA-N 1 3 354.494 3.454 20 0 FGADHO CN1CCC2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)C1=O ZINC000411647263 499772693 /nfs/dbraw/zinc/77/26/93/499772693.db2.gz LNIYZYLCZJZACC-UHFFFAOYSA-N 1 3 355.526 3.117 20 0 FGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331854 499778510 /nfs/dbraw/zinc/77/85/10/499778510.db2.gz UNADYOFFHGPJBN-LFUKPOHLSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414383715 499784155 /nfs/dbraw/zinc/78/41/55/499784155.db2.gz UOEMAUJTBJMLRZ-ROUUACIJSA-N 1 3 356.432 3.481 20 0 FGADHO OC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCN(Cc2ccccc2)CC1 ZINC000414529310 499803529 /nfs/dbraw/zinc/80/35/29/499803529.db2.gz VMZVJZZYTQCOPG-UHFFFAOYSA-N 1 3 367.468 3.424 20 0 FGADHO COc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000414550956 499807462 /nfs/dbraw/zinc/80/74/62/499807462.db2.gz OICBLRHYLNDMDN-UHFFFAOYSA-N 1 3 374.912 3.465 20 0 FGADHO Cc1ccc(C)c(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414554361 499807760 /nfs/dbraw/zinc/80/77/60/499807760.db2.gz KIUFSSVGIISKET-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO COC(=O)[C@H]1CSCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084542 499821845 /nfs/dbraw/zinc/82/18/45/499821845.db2.gz TXNXFJRYRFSBEA-LJQANCHMSA-N 1 3 362.539 3.011 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000414803727 499832940 /nfs/dbraw/zinc/83/29/40/499832940.db2.gz NXANANCWLUSOMM-ZFWWWQNUSA-N 1 3 369.303 3.218 20 0 FGADHO C[NH+]1CCC2(CCCN2C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412221161 499835456 /nfs/dbraw/zinc/83/54/56/499835456.db2.gz DQYRQVSECGODPH-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO Clc1ccc(-n2cc(CNCC[C@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414833016 499835476 /nfs/dbraw/zinc/83/54/76/499835476.db2.gz FTNVLYRCYONQAQ-GFCCVEGCSA-N 1 3 354.285 3.053 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCCC1 ZINC000414848384 499837286 /nfs/dbraw/zinc/83/72/86/499837286.db2.gz VVDCGSGRQBOULU-OAHLLOKOSA-N 1 3 351.922 3.328 20 0 FGADHO CC1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414910071 499843879 /nfs/dbraw/zinc/84/38/79/499843879.db2.gz SGKDEWKTFFWKCH-UHFFFAOYSA-N 1 3 354.285 3.053 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412329505 499845219 /nfs/dbraw/zinc/84/52/19/499845219.db2.gz BLVRTAPCXUGRIG-WIYYLYMNSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CCCC1 ZINC000415043102 499857685 /nfs/dbraw/zinc/85/76/85/499857685.db2.gz ADUQQRDYQKAMSK-KSSFIOAISA-N 1 3 351.922 3.184 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121493 499866086 /nfs/dbraw/zinc/86/60/86/499866086.db2.gz IEEDMWRRNWFNGC-IRXDYDNUSA-N 1 3 350.528 3.135 20 0 FGADHO CCCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415121381 499866110 /nfs/dbraw/zinc/86/61/10/499866110.db2.gz GYRDGYVZWVEQJV-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000415123261 499866534 /nfs/dbraw/zinc/86/65/34/499866534.db2.gz PJTOUZFMWJMJQP-YZGWKJHDSA-N 1 3 372.557 3.107 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415309084 499885310 /nfs/dbraw/zinc/88/53/10/499885310.db2.gz MILQJEKOYUBHFL-GOSISDBHSA-N 1 3 362.518 3.190 20 0 FGADHO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415311693 499885375 /nfs/dbraw/zinc/88/53/75/499885375.db2.gz RKUXCRRYNINMRQ-GOSISDBHSA-N 1 3 374.529 3.144 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H]1COc2ccccc21)C1CCN(C)CC1 ZINC000570429688 506166530 /nfs/dbraw/zinc/16/65/30/506166530.db2.gz XQULHXCQBQPBIL-IBGZPJMESA-N 1 3 365.521 3.483 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000415901910 499926229 /nfs/dbraw/zinc/92/62/29/499926229.db2.gz NTKSXEURTHCQIF-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000415915580 499928050 /nfs/dbraw/zinc/92/80/50/499928050.db2.gz ZILGIMUWPVQOIL-INIZCTEOSA-N 1 3 367.497 3.148 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000415930341 499929696 /nfs/dbraw/zinc/92/96/96/499929696.db2.gz IPHDKQRSJHMRMI-UHFFFAOYSA-N 1 3 354.498 3.392 20 0 FGADHO COc1cc2nccc(N3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)c2cc1OC ZINC000413232290 499930421 /nfs/dbraw/zinc/93/04/21/499930421.db2.gz OHOGSDFKEBZKGO-XLIONFOSSA-N 1 3 373.522 3.268 20 0 FGADHO C[NH+]1CCC(C)(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415950169 499932425 /nfs/dbraw/zinc/93/24/25/499932425.db2.gz HIUZRJKWDLADBX-UHFFFAOYSA-N 1 3 358.408 3.018 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000415972588 499935501 /nfs/dbraw/zinc/93/55/01/499935501.db2.gz NCBWDZGHBILJHY-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974187 499935856 /nfs/dbraw/zinc/93/58/56/499935856.db2.gz QERVMCLSMOGZHF-OXJNMPFZSA-N 1 3 352.482 3.363 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976868 499936333 /nfs/dbraw/zinc/93/63/33/499936333.db2.gz VYDSXSHVZHDXKS-OLZOCXBDSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976868 499936334 /nfs/dbraw/zinc/93/63/34/499936334.db2.gz VYDSXSHVZHDXKS-OLZOCXBDSA-N 1 3 372.435 3.406 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415979094 499936448 /nfs/dbraw/zinc/93/64/48/499936448.db2.gz ZFJORRUICDOEFX-GFCCVEGCSA-N 1 3 360.424 3.406 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415979094 499936450 /nfs/dbraw/zinc/93/64/50/499936450.db2.gz ZFJORRUICDOEFX-GFCCVEGCSA-N 1 3 360.424 3.406 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417042689 499956241 /nfs/dbraw/zinc/95/62/41/499956241.db2.gz LXDJICQJOKWKRG-FXAWDEMLSA-N 1 3 360.546 3.203 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417042689 499956245 /nfs/dbraw/zinc/95/62/45/499956245.db2.gz LXDJICQJOKWKRG-FXAWDEMLSA-N 1 3 360.546 3.203 20 0 FGADHO CC(CN1CCOC[C@H](C2CCC2)C1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029962 499988305 /nfs/dbraw/zinc/98/83/05/499988305.db2.gz QPEGIVTUIYSHAG-FGZHOGPDSA-N 1 3 364.574 3.120 20 0 FGADHO CC(CN1CCOC[C@H](C2CCC2)C1)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029962 499988309 /nfs/dbraw/zinc/98/83/09/499988309.db2.gz QPEGIVTUIYSHAG-FGZHOGPDSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417220702 500009033 /nfs/dbraw/zinc/00/90/33/500009033.db2.gz YWHXDWPEEWTHGT-QUCCMNQESA-N 1 3 360.546 3.276 20 0 FGADHO O=C(CN(C1CCC1)C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000429135363 500010666 /nfs/dbraw/zinc/01/06/66/500010666.db2.gz SSESKAPTVITRAR-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC000421365037 500027693 /nfs/dbraw/zinc/02/76/93/500027693.db2.gz ARQHOVFZSBRULK-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000417295221 500031650 /nfs/dbraw/zinc/03/16/50/500031650.db2.gz JMKHHQQLRKGXMM-CVEARBPZSA-N 1 3 374.451 3.125 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1)C1CCN(C)CC1 ZINC000421399674 500038619 /nfs/dbraw/zinc/03/86/19/500038619.db2.gz QOZJULQRADXNSX-IBGZPJMESA-N 1 3 359.558 3.202 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H](CCO)CC1)C1CCN(C)CC1 ZINC000421399674 500038621 /nfs/dbraw/zinc/03/86/21/500038621.db2.gz QOZJULQRADXNSX-IBGZPJMESA-N 1 3 359.558 3.202 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1(O)CCOCC1 ZINC000417350991 500045976 /nfs/dbraw/zinc/04/59/76/500045976.db2.gz ATTXRQYFJVPJEV-PCCBWWKXSA-N 1 3 372.553 3.054 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000417407327 500064186 /nfs/dbraw/zinc/06/41/86/500064186.db2.gz SKOOGLMSSAENSU-OAQYLSRUSA-N 1 3 368.525 3.200 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000417407327 500064188 /nfs/dbraw/zinc/06/41/88/500064188.db2.gz SKOOGLMSSAENSU-OAQYLSRUSA-N 1 3 368.525 3.200 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)cccc3OC)CC2)CC1 ZINC000573337636 506175266 /nfs/dbraw/zinc/17/52/66/506175266.db2.gz VQJIMIUXCXUDQN-UHFFFAOYSA-N 1 3 359.514 3.138 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000416844453 500136157 /nfs/dbraw/zinc/13/61/57/500136157.db2.gz PZMWCNFCEUFZMI-WOJBJXKFSA-N 1 3 354.498 3.069 20 0 FGADHO C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416946290 500163664 /nfs/dbraw/zinc/16/36/64/500163664.db2.gz ARNQLFFLTKMMSM-QGZVFWFLSA-N 1 3 368.525 3.342 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418150637 500237571 /nfs/dbraw/zinc/23/75/71/500237571.db2.gz DCCGFGOVKNWBGL-VQTJNVASSA-N 1 3 374.573 3.302 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418156871 500238596 /nfs/dbraw/zinc/23/85/96/500238596.db2.gz NUDDEDGIHRBRJJ-AABGKKOBSA-N 1 3 372.557 3.104 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244849 500240245 /nfs/dbraw/zinc/24/02/45/500240245.db2.gz NPMBVQLKWIPNTK-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000418175061 500242923 /nfs/dbraw/zinc/24/29/23/500242923.db2.gz FUIAEEXEAFTWCF-MLYOOKFZSA-N 1 3 360.546 3.051 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177565 500243550 /nfs/dbraw/zinc/24/35/50/500243550.db2.gz HUXIRGXIDDBEIC-IIDMSEBBSA-N 1 3 366.937 3.102 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185260 500244880 /nfs/dbraw/zinc/24/48/80/500244880.db2.gz QWTOEIQTTBQELV-YXJHDRRASA-N 1 3 366.937 3.102 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418188235 500245449 /nfs/dbraw/zinc/24/54/49/500245449.db2.gz GEPSLVCXNKINID-UWJYYQICSA-N 1 3 374.573 3.257 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193370 500246963 /nfs/dbraw/zinc/24/69/63/500246963.db2.gz ZLXPFGAQKXAYRJ-ZTFGCOKTSA-N 1 3 366.937 3.150 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577668 500257383 /nfs/dbraw/zinc/25/73/83/500257383.db2.gz CYMIOUWVBGYKMO-AWEZNQCLSA-N 1 3 374.298 3.222 20 0 FGADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609051 500261615 /nfs/dbraw/zinc/26/16/15/500261615.db2.gz GIXYIUCIFGBOMX-KRWDZBQOSA-N 1 3 353.466 3.478 20 0 FGADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418356144 500267688 /nfs/dbraw/zinc/26/76/88/500267688.db2.gz XLHQOSQMYAYQNF-JYRKZWEQSA-N 1 3 372.557 3.242 20 0 FGADHO NC[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394083 500271667 /nfs/dbraw/zinc/27/16/67/500271667.db2.gz XJZFRLFFJXIWIM-VQTJNVASSA-N 1 3 354.498 3.046 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418471566 500280452 /nfs/dbraw/zinc/28/04/52/500280452.db2.gz RRSXSVJQNRTSJW-IFMALSPDSA-N 1 3 372.557 3.202 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000430775663 500283165 /nfs/dbraw/zinc/28/31/65/500283165.db2.gz HLBQNVWAPPOEQB-UHFFFAOYSA-N 1 3 361.599 3.269 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418497839 500284378 /nfs/dbraw/zinc/28/43/78/500284378.db2.gz IJNOQHYVUAGRLZ-NRFANRHFSA-N 1 3 368.525 3.355 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500102 500285183 /nfs/dbraw/zinc/28/51/83/500285183.db2.gz NNNKVMAHCZFBME-OAQYLSRUSA-N 1 3 368.525 3.357 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OC2CCCC2)CC[NH2+]CC1 ZINC000422698410 500287289 /nfs/dbraw/zinc/28/72/89/500287289.db2.gz ZEQBQCOCVUPGQB-QGZVFWFLSA-N 1 3 374.525 3.419 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719273 500289093 /nfs/dbraw/zinc/28/90/93/500289093.db2.gz YFWXEYVNZCPNOF-YSVLISHTSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719273 500289095 /nfs/dbraw/zinc/28/90/95/500289095.db2.gz YFWXEYVNZCPNOF-YSVLISHTSA-N 1 3 352.320 3.135 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724750 500289878 /nfs/dbraw/zinc/28/98/78/500289878.db2.gz WNTHACZFMLCWBA-JTSKRJEESA-N 1 3 355.501 3.338 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724750 500289880 /nfs/dbraw/zinc/28/98/80/500289880.db2.gz WNTHACZFMLCWBA-JTSKRJEESA-N 1 3 355.501 3.338 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727629 500290868 /nfs/dbraw/zinc/29/08/68/500290868.db2.gz HQPYJPOMQZAHJQ-CGTJXYLNSA-N 1 3 355.448 3.387 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727629 500290870 /nfs/dbraw/zinc/29/08/70/500290870.db2.gz HQPYJPOMQZAHJQ-CGTJXYLNSA-N 1 3 355.448 3.387 20 0 FGADHO COc1ccccc1[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)N(C)C ZINC000422743661 500293157 /nfs/dbraw/zinc/29/31/57/500293157.db2.gz IVWUZIKTIQKKRH-JBACZVJFSA-N 1 3 353.510 3.381 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750869 500293987 /nfs/dbraw/zinc/29/39/87/500293987.db2.gz DSHGRRBJKLBWIY-STQMWFEESA-N 1 3 356.869 3.451 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786361 500297269 /nfs/dbraw/zinc/29/72/69/500297269.db2.gz QGXPQEIJDMTEHV-GIWBLDEGSA-N 1 3 365.521 3.443 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802935 500299897 /nfs/dbraw/zinc/29/98/97/500299897.db2.gz IAHAQGVIRUYOTN-KBPBESRZSA-N 1 3 370.440 3.260 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809069 500300674 /nfs/dbraw/zinc/30/06/74/500300674.db2.gz RFLAQHKQPWFGAH-IERDGZPVSA-N 1 3 351.494 3.473 20 0 FGADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814792 500301199 /nfs/dbraw/zinc/30/11/99/500301199.db2.gz WDOPUYQWVVHELW-XPWALMASSA-N 1 3 370.585 3.099 20 0 FGADHO CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812782 500301248 /nfs/dbraw/zinc/30/12/48/500301248.db2.gz QXVIWQXXVDSRDT-NQCMUKECSA-N 1 3 368.481 3.370 20 0 FGADHO CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812784 500301381 /nfs/dbraw/zinc/30/13/81/500301381.db2.gz QXVIWQXXVDSRDT-QUJCMNEKSA-N 1 3 368.481 3.370 20 0 FGADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821637 500302695 /nfs/dbraw/zinc/30/26/95/500302695.db2.gz XQGWAJAQFRMHSG-MHTWAQMVSA-N 1 3 351.579 3.024 20 0 FGADHO COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422842893 500304823 /nfs/dbraw/zinc/30/48/23/500304823.db2.gz ZLKMKAPEMRUQDS-HNNXBMFYSA-N 1 3 354.498 3.177 20 0 FGADHO Cc1cccc(COc2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422841555 500304949 /nfs/dbraw/zinc/30/49/49/500304949.db2.gz DCKGTGBHYISXJO-BULFRSBZSA-N 1 3 354.494 3.416 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842963 500304984 /nfs/dbraw/zinc/30/49/84/500304984.db2.gz ZXFDLVFXNDPSOC-JOCBIADPSA-N 1 3 352.906 3.244 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864210 500307550 /nfs/dbraw/zinc/30/75/50/500307550.db2.gz UPTQLAHPDUQWEF-KBPBESRZSA-N 1 3 367.559 3.413 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934386 500309817 /nfs/dbraw/zinc/30/98/17/500309817.db2.gz MDNLMPUOWXRJEL-QZTJIDSGSA-N 1 3 365.521 3.340 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939726 500310798 /nfs/dbraw/zinc/31/07/98/500310798.db2.gz MHOYNKNCHJNVLE-IXDOHACOSA-N 1 3 357.542 3.190 20 0 FGADHO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCOCC2)cc1 ZINC000422895146 500312425 /nfs/dbraw/zinc/31/24/25/500312425.db2.gz FDEKYHLZSSEQQR-MRXNPFEDSA-N 1 3 369.509 3.256 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@@H]2CN)CCOCC1 ZINC000422899202 500313098 /nfs/dbraw/zinc/31/30/98/500313098.db2.gz GZSOTUPDLCEVGR-PBHICJAKSA-N 1 3 352.906 3.114 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422911866 500315453 /nfs/dbraw/zinc/31/54/53/500315453.db2.gz UPJACYFGNOZODP-XWTMOSNGSA-N 1 3 363.933 3.438 20 0 FGADHO Cn1cc(-c2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961456 500324561 /nfs/dbraw/zinc/32/45/61/500324561.db2.gz CBCYDHGIRKYCEX-GMAHTHKFSA-N 1 3 374.488 3.433 20 0 FGADHO [NH3+][C@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977588 500325943 /nfs/dbraw/zinc/32/59/43/500325943.db2.gz FXKNAJNKKRRKOM-VXKWHMMOSA-N 1 3 351.494 3.448 20 0 FGADHO c1ccc2c(c1)CCC[C@@H]2OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422984191 500327116 /nfs/dbraw/zinc/32/71/16/500327116.db2.gz XKYWRGNRXUFCKU-CBPXPLCBSA-N 1 3 358.526 3.217 20 0 FGADHO CN1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021240 500331566 /nfs/dbraw/zinc/33/15/66/500331566.db2.gz DTLYNFSVZFCAJE-MJAJVGOYSA-N 1 3 351.897 3.345 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020891 500331613 /nfs/dbraw/zinc/33/16/13/500331613.db2.gz DBQBZETUPLDXNT-OYYCAODRSA-N 1 3 353.913 3.450 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020891 500331615 /nfs/dbraw/zinc/33/16/15/500331615.db2.gz DBQBZETUPLDXNT-OYYCAODRSA-N 1 3 353.913 3.450 20 0 FGADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423017843 500331858 /nfs/dbraw/zinc/33/18/58/500331858.db2.gz XFVALJRAVNZUJC-RRFJBIMHSA-N 1 3 357.420 3.380 20 0 FGADHO Clc1ccc(COCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026798 500332301 /nfs/dbraw/zinc/33/23/01/500332301.db2.gz OEKBXGMQYAQKMA-BPQIPLTHSA-N 1 3 373.324 3.257 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027509 500332577 /nfs/dbraw/zinc/33/25/77/500332577.db2.gz DJCFWEINIFISLQ-CYBMUJFWSA-N 1 3 369.444 3.321 20 0 FGADHO c1ccc(COCCC2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052486 500335871 /nfs/dbraw/zinc/33/58/71/500335871.db2.gz QBLRJHCBECDAJK-PCCBWWKXSA-N 1 3 358.526 3.120 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423078488 500339436 /nfs/dbraw/zinc/33/94/36/500339436.db2.gz OPDZYFZSYJVQAJ-YOEHRIQHSA-N 1 3 367.415 3.417 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000423093116 500341150 /nfs/dbraw/zinc/34/11/50/500341150.db2.gz FUZZLIKQSNCNOC-CZUORRHYSA-N 1 3 372.294 3.344 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056367 500349190 /nfs/dbraw/zinc/34/91/90/500349190.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056367 500349191 /nfs/dbraw/zinc/34/91/91/500349191.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 1 3 367.537 3.126 20 0 FGADHO Fc1cccc([C@@H](NCCCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423194388 500354216 /nfs/dbraw/zinc/35/42/16/500354216.db2.gz XYXWWKAOUCXALP-FQEVSTJZSA-N 1 3 361.892 3.453 20 0 FGADHO Fc1ccc(N2CC[C@H](N[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196380 500354397 /nfs/dbraw/zinc/35/43/97/500354397.db2.gz ZTPJUUXFMBUVSV-UCNVEGJOSA-N 1 3 367.468 3.250 20 0 FGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423272595 500360670 /nfs/dbraw/zinc/36/06/70/500360670.db2.gz JWJQFWQFEALQIW-SWLSCSKDSA-N 1 3 360.283 3.185 20 0 FGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000579509783 506191157 /nfs/dbraw/zinc/19/11/57/506191157.db2.gz CTQAYKJBIFMYFQ-OAHLLOKOSA-N 1 3 363.468 3.172 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000423281326 500361162 /nfs/dbraw/zinc/36/11/62/500361162.db2.gz UGRYNTBLURFXTM-YMTOWFKASA-N 1 3 363.811 3.403 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292441 500361987 /nfs/dbraw/zinc/36/19/87/500361987.db2.gz NAFXVLHYPICYBZ-KKSFZXQISA-N 1 3 365.481 3.228 20 0 FGADHO Cc1ccc([C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374547 500367976 /nfs/dbraw/zinc/36/79/76/500367976.db2.gz CIFYVXSLJGJIEO-SJORKVTESA-N 1 3 359.436 3.245 20 0 FGADHO Cc1cc([C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375159 500368271 /nfs/dbraw/zinc/36/82/71/500368271.db2.gz CWNMARMIZRTZAK-IRXDYDNUSA-N 1 3 359.411 3.011 20 0 FGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375619 500368276 /nfs/dbraw/zinc/36/82/76/500368276.db2.gz UKEZIVMQYYKVCD-DLOVCJGASA-N 1 3 362.230 3.351 20 0 FGADHO CCSc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400694 500371190 /nfs/dbraw/zinc/37/11/90/500371190.db2.gz WZUCMTBKTUPKNU-CZUORRHYSA-N 1 3 361.477 3.285 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423446479 500375625 /nfs/dbraw/zinc/37/56/25/500375625.db2.gz CRNRBWHKDRXDFC-NJAPINKUSA-N 1 3 369.431 3.003 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286951 500378101 /nfs/dbraw/zinc/37/81/01/500378101.db2.gz IAZVHJUOARWNPX-PZJWPPBQSA-N 1 3 357.542 3.137 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311421 500379972 /nfs/dbraw/zinc/37/99/72/500379972.db2.gz AVZCEMYZAMYJKX-ROUUACIJSA-N 1 3 363.571 3.417 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528897 500382214 /nfs/dbraw/zinc/38/22/14/500382214.db2.gz OZYJBFUTKMGWQH-PUGNBPNRSA-N 1 3 359.489 3.286 20 0 FGADHO [NH3+]C1(CN[C@H]2CCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000423552535 500384227 /nfs/dbraw/zinc/38/42/27/500384227.db2.gz GNEWFWKHIQWRHH-NRFANRHFSA-N 1 3 353.485 3.396 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000423547966 500384478 /nfs/dbraw/zinc/38/44/78/500384478.db2.gz QRHZRZWKYCOPTA-IGQOVBAYSA-N 1 3 353.304 3.496 20 0 FGADHO CN1CCN(c2cccc(Cl)c2CNCCCC[N@H+](C)C2CC2)CC1 ZINC000419740592 500392067 /nfs/dbraw/zinc/39/20/67/500392067.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 1 3 364.965 3.056 20 0 FGADHO CN1CCN(c2cccc(Cl)c2CNCCCC[N@@H+](C)C2CC2)CC1 ZINC000419740592 500392070 /nfs/dbraw/zinc/39/20/70/500392070.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 1 3 364.965 3.056 20 0 FGADHO Brc1cccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420308800 500438341 /nfs/dbraw/zinc/43/83/41/500438341.db2.gz DGYSZJWQKWPSRW-HNNXBMFYSA-N 1 3 353.304 3.149 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431893538 500439612 /nfs/dbraw/zinc/43/96/12/500439612.db2.gz GOJNAJVLEFFGRJ-OAQYLSRUSA-N 1 3 357.542 3.074 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431893538 500439613 /nfs/dbraw/zinc/43/96/13/500439613.db2.gz GOJNAJVLEFFGRJ-OAQYLSRUSA-N 1 3 357.542 3.074 20 0 FGADHO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420324576 500441688 /nfs/dbraw/zinc/44/16/88/500441688.db2.gz VRNOFYDACCVYJW-BDTNDASRSA-N 1 3 354.494 3.153 20 0 FGADHO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420324576 500441690 /nfs/dbraw/zinc/44/16/90/500441690.db2.gz VRNOFYDACCVYJW-BDTNDASRSA-N 1 3 354.494 3.153 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883438 500442091 /nfs/dbraw/zinc/44/20/91/500442091.db2.gz CHXGZUZOQAFSGN-FUHWJXTLSA-N 1 3 351.560 3.420 20 0 FGADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352851 500446228 /nfs/dbraw/zinc/44/62/28/500446228.db2.gz AYEWYYHHGLNLMX-UYAOXDASSA-N 1 3 371.550 3.322 20 0 FGADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352851 500446229 /nfs/dbraw/zinc/44/62/29/500446229.db2.gz AYEWYYHHGLNLMX-UYAOXDASSA-N 1 3 371.550 3.322 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374290 500450407 /nfs/dbraw/zinc/45/04/07/500450407.db2.gz HKHMAGINFYBWAD-LEWJYISDSA-N 1 3 362.514 3.073 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3cccc4ccccc43)CC2)C1 ZINC000420381338 500451703 /nfs/dbraw/zinc/45/17/03/500451703.db2.gz CITMPYOVZCXORH-DENIHFKCSA-N 1 3 354.494 3.437 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420394125 500454619 /nfs/dbraw/zinc/45/46/19/500454619.db2.gz RDYZPYGFDQDWQO-RXVVDRJESA-N 1 3 362.514 3.073 20 0 FGADHO CN(C)CCN(Cc1ccccn1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424184956 500464577 /nfs/dbraw/zinc/46/45/77/500464577.db2.gz YRFUJNJLZJLJNC-LJQANCHMSA-N 1 3 360.546 3.050 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000424289860 500481979 /nfs/dbraw/zinc/48/19/79/500481979.db2.gz CNGMJBYFGUTFLV-IAGOWNOFSA-N 1 3 369.431 3.056 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302007 500483746 /nfs/dbraw/zinc/48/37/46/500483746.db2.gz YQYYROGSCNCIBN-ZDUSSCGKSA-N 1 3 355.404 3.108 20 0 FGADHO COc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380652 500494175 /nfs/dbraw/zinc/49/41/75/500494175.db2.gz QDBZWAFELRMXFR-ZDUSSCGKSA-N 1 3 353.304 3.422 20 0 FGADHO C[C@H]1C[C@@H](NCCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612820 506199274 /nfs/dbraw/zinc/19/92/74/506199274.db2.gz OZWMWIIFVDYIDS-HKUYNNGSSA-N 1 3 368.477 3.437 20 0 FGADHO C[C@H]1C[C@@H](NCCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612820 506199278 /nfs/dbraw/zinc/19/92/78/506199278.db2.gz OZWMWIIFVDYIDS-HKUYNNGSSA-N 1 3 368.477 3.437 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000424427513 500503023 /nfs/dbraw/zinc/50/30/23/500503023.db2.gz PRRUDEXAORDZES-OXQOHEQNSA-N 1 3 352.482 3.096 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000421001008 500551602 /nfs/dbraw/zinc/55/16/02/500551602.db2.gz FDTCPWUYXNXBOX-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000421001008 500551603 /nfs/dbraw/zinc/55/16/03/500551603.db2.gz FDTCPWUYXNXBOX-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000421001008 500551604 /nfs/dbraw/zinc/55/16/04/500551604.db2.gz FDTCPWUYXNXBOX-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565470 /nfs/dbraw/zinc/56/54/70/500565470.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 1 3 369.553 3.135 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565474 /nfs/dbraw/zinc/56/54/74/500565474.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 1 3 369.553 3.135 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043675 500595811 /nfs/dbraw/zinc/59/58/11/500595811.db2.gz VNCCNOQAKMGTMC-YADHBBJMSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043675 500595815 /nfs/dbraw/zinc/59/58/15/500595815.db2.gz VNCCNOQAKMGTMC-YADHBBJMSA-N 1 3 371.569 3.477 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653736 /nfs/dbraw/zinc/65/37/36/500653736.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653738 /nfs/dbraw/zinc/65/37/38/500653738.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 1 3 357.542 3.150 20 0 FGADHO c1ccc(COc2ccccc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000573564893 506212385 /nfs/dbraw/zinc/21/23/85/506212385.db2.gz MBDRBOVCBRWYHG-LJQANCHMSA-N 1 3 351.494 3.482 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433560213 500712635 /nfs/dbraw/zinc/71/26/35/500712635.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433560213 500712639 /nfs/dbraw/zinc/71/26/39/500712639.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 1 3 372.557 3.343 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000443639628 500748278 /nfs/dbraw/zinc/74/82/78/500748278.db2.gz GVEIIALLUFNWCR-QFBILLFUSA-N 1 3 369.475 3.472 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189674 500808762 /nfs/dbraw/zinc/80/87/62/500808762.db2.gz OFSMSPGCJFIHLZ-FUHWJXTLSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189674 500808766 /nfs/dbraw/zinc/80/87/66/500808766.db2.gz OFSMSPGCJFIHLZ-FUHWJXTLSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870643 /nfs/dbraw/zinc/87/06/43/500870643.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 1 3 370.541 3.090 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870644 /nfs/dbraw/zinc/87/06/44/500870644.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCOCC1 ZINC000449162944 500938015 /nfs/dbraw/zinc/93/80/15/500938015.db2.gz KUDXJGYGQBINEK-GOSISDBHSA-N 1 3 353.595 3.224 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2cnc(CCc3ccccc3)s2)CC1 ZINC000449220999 500951402 /nfs/dbraw/zinc/95/14/02/500951402.db2.gz IYWLLVQZXGJBFB-UHFFFAOYSA-N 1 3 372.582 3.044 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N(C)CCCNC(=O)C2CCC2)CC1 ZINC000449282635 500965508 /nfs/dbraw/zinc/96/55/08/500965508.db2.gz IJNWCWXCPZEZPR-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO CC[NH+]1CCC(NC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1 ZINC000440160949 500982628 /nfs/dbraw/zinc/98/26/28/500982628.db2.gz PAZFLVJSXCJWSY-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343928 500983077 /nfs/dbraw/zinc/98/30/77/500983077.db2.gz OFTDTODFEITDIE-HOJAQTOUSA-N 1 3 360.567 3.256 20 0 FGADHO Cc1cccc(C2(NCC(=O)NC3CC[NH+](C4CC4)CC3)CCCC2)c1 ZINC000440271903 500993258 /nfs/dbraw/zinc/99/32/58/500993258.db2.gz OYASLWABSCMYNY-UHFFFAOYSA-N 1 3 355.526 3.097 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449490705 501015988 /nfs/dbraw/zinc/01/59/88/501015988.db2.gz CLNQONQMLLPIJL-KNQAVFIVSA-N 1 3 359.558 3.369 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@H]2CC[N@@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548439 501030784 /nfs/dbraw/zinc/03/07/84/501030784.db2.gz NHYRWEMDCXTTIW-ULQDDVLXSA-N 1 3 372.463 3.360 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@H]2CC[N@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548439 501030785 /nfs/dbraw/zinc/03/07/85/501030785.db2.gz NHYRWEMDCXTTIW-ULQDDVLXSA-N 1 3 372.463 3.360 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000436304167 501104513 /nfs/dbraw/zinc/10/45/13/501104513.db2.gz CZHTVIMZROYFNT-CRSSMBPESA-N 1 3 356.510 3.218 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450472412 501130222 /nfs/dbraw/zinc/13/02/22/501130222.db2.gz FKVHTBSSIXNHHY-URFJDIBFSA-N 1 3 374.569 3.362 20 0 FGADHO CCC1(CC)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446716460 501155524 /nfs/dbraw/zinc/15/55/24/501155524.db2.gz ZSPIZNULHLXWHV-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000446880832 501176824 /nfs/dbraw/zinc/17/68/24/501176824.db2.gz JCIUKOKANPLSJT-WIYYLYMNSA-N 1 3 371.529 3.272 20 0 FGADHO C[NH+](C)C1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCCCC1 ZINC000611636986 506239368 /nfs/dbraw/zinc/23/93/68/506239368.db2.gz LTVGTYMPYKHDGF-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447051275 501197592 /nfs/dbraw/zinc/19/75/92/501197592.db2.gz SFQGDXICIKQZGE-UHFFFAOYSA-N 1 3 372.557 3.071 20 0 FGADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109353 501271059 /nfs/dbraw/zinc/27/10/59/501271059.db2.gz MHVYLSILEQZIHO-SFTDATJTSA-N 1 3 355.526 3.052 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000457652765 501278270 /nfs/dbraw/zinc/27/82/70/501278270.db2.gz AVXDANCKCVMDTQ-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO COCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453213263 501292774 /nfs/dbraw/zinc/29/27/74/501292774.db2.gz MHXMGFDNGYZNST-BDTNDASRSA-N 1 3 368.525 3.062 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453234865 501296239 /nfs/dbraw/zinc/29/62/39/501296239.db2.gz XECXJBMXLVESJT-NNWRFLSQSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453234865 501296240 /nfs/dbraw/zinc/29/62/40/501296240.db2.gz XECXJBMXLVESJT-NNWRFLSQSA-N 1 3 350.510 3.360 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000611671573 506250350 /nfs/dbraw/zinc/25/03/50/506250350.db2.gz XIRPXHONDKWJSA-SFTDATJTSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000454457444 501549753 /nfs/dbraw/zinc/54/97/53/501549753.db2.gz OTDOAGHFBVOZBL-BZSNNMDCSA-N 1 3 364.578 3.059 20 0 FGADHO CC1(C)C[N@H+](CC2(O)CCOCC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017280 501602085 /nfs/dbraw/zinc/60/20/85/501602085.db2.gz NALWYTFSIHEKFX-NRFANRHFSA-N 1 3 372.553 3.151 20 0 FGADHO CC1(C)C[N@@H+](CC2(O)CCOCC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017280 501602087 /nfs/dbraw/zinc/60/20/87/501602087.db2.gz NALWYTFSIHEKFX-NRFANRHFSA-N 1 3 372.553 3.151 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459163577 501606782 /nfs/dbraw/zinc/60/67/82/501606782.db2.gz QTKAEGHCDPEGQG-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459163577 501606784 /nfs/dbraw/zinc/60/67/84/501606784.db2.gz QTKAEGHCDPEGQG-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO FC(F)(F)COc1ncccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000459373681 501641964 /nfs/dbraw/zinc/64/19/64/501641964.db2.gz VZJMGFOTLNYJAJ-UHFFFAOYSA-N 1 3 366.387 3.176 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000457384046 501691100 /nfs/dbraw/zinc/69/11/00/501691100.db2.gz ZOTBZOHTALDGLZ-IBGZPJMESA-N 1 3 360.546 3.243 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464572 501703832 /nfs/dbraw/zinc/70/38/32/501703832.db2.gz VXCMBWSDHOMTQW-WOJBJXKFSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464572 501703834 /nfs/dbraw/zinc/70/38/34/501703834.db2.gz VXCMBWSDHOMTQW-WOJBJXKFSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459777024 501712442 /nfs/dbraw/zinc/71/24/42/501712442.db2.gz RKGUVXJVQWIASA-SFHVURJKSA-N 1 3 369.553 3.468 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631931 501779607 /nfs/dbraw/zinc/77/96/07/501779607.db2.gz WICNQLXOYSUWLP-LJQANCHMSA-N 1 3 373.541 3.106 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631931 501779612 /nfs/dbraw/zinc/77/96/12/501779612.db2.gz WICNQLXOYSUWLP-LJQANCHMSA-N 1 3 373.541 3.106 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000467384282 501782693 /nfs/dbraw/zinc/78/26/93/501782693.db2.gz WMMPVMWJZJFWGV-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467384282 501782698 /nfs/dbraw/zinc/78/26/98/501782698.db2.gz WMMPVMWJZJFWGV-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467384282 501782703 /nfs/dbraw/zinc/78/27/03/501782703.db2.gz WMMPVMWJZJFWGV-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470726052 501782958 /nfs/dbraw/zinc/78/29/58/501782958.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470726052 501782963 /nfs/dbraw/zinc/78/29/63/501782963.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCN(C4CC4)C3)c2C)cc1 ZINC000463741550 501808974 /nfs/dbraw/zinc/80/89/74/501808974.db2.gz LTJSCOCWZIDZRS-LJQANCHMSA-N 1 3 368.525 3.131 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000460465540 501830125 /nfs/dbraw/zinc/83/01/25/501830125.db2.gz FWAKRPAAQGMAQE-MOPGFXCFSA-N 1 3 352.567 3.157 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000464061238 501887467 /nfs/dbraw/zinc/88/74/67/501887467.db2.gz AUDMMRLXMQLYMO-QHAWAJNXSA-N 1 3 360.542 3.354 20 0 FGADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000485883483 501975469 /nfs/dbraw/zinc/97/54/69/501975469.db2.gz NXOWYILBFBATHR-NQIIRXRSSA-N 1 3 357.542 3.402 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141024 501987694 /nfs/dbraw/zinc/98/76/94/501987694.db2.gz XIZWHUKDYPGSHP-NLWGTHIKSA-N 1 3 373.541 3.398 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141024 501987696 /nfs/dbraw/zinc/98/76/96/501987696.db2.gz XIZWHUKDYPGSHP-NLWGTHIKSA-N 1 3 373.541 3.398 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141022 501987810 /nfs/dbraw/zinc/98/78/10/501987810.db2.gz XIZWHUKDYPGSHP-BJLQDIEVSA-N 1 3 373.541 3.398 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141022 501987814 /nfs/dbraw/zinc/98/78/14/501987814.db2.gz XIZWHUKDYPGSHP-BJLQDIEVSA-N 1 3 373.541 3.398 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000471372731 502002516 /nfs/dbraw/zinc/00/25/16/502002516.db2.gz HZUZPHOJQQLEFF-CTNGQTDRSA-N 1 3 372.557 3.339 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000482237775 502016231 /nfs/dbraw/zinc/01/62/31/502016231.db2.gz KRVACCFQBPHQTD-HKUYNNGSSA-N 1 3 362.514 3.075 20 0 FGADHO CN(C)CCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000468322394 502024725 /nfs/dbraw/zinc/02/47/25/502024725.db2.gz HSKCWZJXILBRBF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C)CCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000468322394 502024727 /nfs/dbraw/zinc/02/47/27/502024727.db2.gz HSKCWZJXILBRBF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475179872 502091166 /nfs/dbraw/zinc/09/11/66/502091166.db2.gz XTDZAVKFHDEGFX-HKBOAZHASA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486532913 502183067 /nfs/dbraw/zinc/18/30/67/502183067.db2.gz GHRAAAUHTLSYRL-YLJYHZDGSA-N 1 3 361.493 3.472 20 0 FGADHO Cc1ccc2[nH]c(CNC3CC[NH+](C4CCN(C)CC4)CC3)cc2c1C ZINC000472062199 502216465 /nfs/dbraw/zinc/21/64/65/502216465.db2.gz HGRAIXYWZJJCRH-UHFFFAOYSA-N 1 3 354.542 3.433 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000472072555 502219682 /nfs/dbraw/zinc/21/96/82/502219682.db2.gz FIFVAWOVIZMDPE-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO Fc1ccc2cc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)[nH]c2c1 ZINC000486702558 502237536 /nfs/dbraw/zinc/23/75/36/502237536.db2.gz WJSAEWRCPGQTLR-UHFFFAOYSA-N 1 3 367.472 3.004 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000472129376 502242526 /nfs/dbraw/zinc/24/25/26/502242526.db2.gz BCTCQVRABMIQLJ-FGTMMUONSA-N 1 3 369.509 3.058 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000479436779 502259361 /nfs/dbraw/zinc/25/93/61/502259361.db2.gz KUGHCOFKFYCLGJ-JEBQAFNWSA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436779 502259363 /nfs/dbraw/zinc/25/93/63/502259363.db2.gz KUGHCOFKFYCLGJ-JEBQAFNWSA-N 1 3 367.331 3.119 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000475731231 502268340 /nfs/dbraw/zinc/26/83/40/502268340.db2.gz DAXFCJYHWYKNQF-HOJAQTOUSA-N 1 3 371.569 3.442 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176027 502303498 /nfs/dbraw/zinc/30/34/98/502303498.db2.gz JKXGSEYVWPLUHJ-NQIIRXRSSA-N 1 3 374.573 3.085 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479645360 502330654 /nfs/dbraw/zinc/33/06/54/502330654.db2.gz IIGCMOIPTQJLIT-FQEVSTJZSA-N 1 3 366.594 3.406 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479645360 502330658 /nfs/dbraw/zinc/33/06/58/502330658.db2.gz IIGCMOIPTQJLIT-FQEVSTJZSA-N 1 3 366.594 3.406 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000472444486 502353772 /nfs/dbraw/zinc/35/37/72/502353772.db2.gz AVSPZGKDLWSZOT-HXUWFJFHSA-N 1 3 374.573 3.067 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000465747690 502368562 /nfs/dbraw/zinc/36/85/62/502368562.db2.gz HNCILGIWFXBYBL-NQIIRXRSSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000472600103 502398343 /nfs/dbraw/zinc/39/83/43/502398343.db2.gz XKQWHIVLAIFJEV-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000472600103 502398351 /nfs/dbraw/zinc/39/83/51/502398351.db2.gz XKQWHIVLAIFJEV-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903805 502422513 /nfs/dbraw/zinc/42/25/13/502422513.db2.gz DUQJXICTHXBUGQ-TZIWHRDSSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903805 502422515 /nfs/dbraw/zinc/42/25/15/502422515.db2.gz DUQJXICTHXBUGQ-TZIWHRDSSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988480 502446938 /nfs/dbraw/zinc/44/69/38/502446938.db2.gz WCJFTPBNNZXXRQ-ROUUACIJSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988480 502446943 /nfs/dbraw/zinc/44/69/43/502446943.db2.gz WCJFTPBNNZXXRQ-ROUUACIJSA-N 1 3 354.583 3.259 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000588709827 506317829 /nfs/dbraw/zinc/31/78/29/506317829.db2.gz DTULDVXGASFGTN-CTAFRAEOSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242325 502514762 /nfs/dbraw/zinc/51/47/62/502514762.db2.gz URQNKFVPIZIUKM-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000473183802 502538756 /nfs/dbraw/zinc/53/87/56/502538756.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000473183802 502538764 /nfs/dbraw/zinc/53/87/64/502538764.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539830 /nfs/dbraw/zinc/53/98/30/502539830.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539834 /nfs/dbraw/zinc/53/98/34/502539834.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 1 3 364.578 3.013 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342460 502542172 /nfs/dbraw/zinc/54/21/72/502542172.db2.gz DNPBELQURVFIOX-QHAWAJNXSA-N 1 3 363.590 3.122 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750261 502556504 /nfs/dbraw/zinc/55/65/04/502556504.db2.gz NKLSFKADLOLASZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750261 502556509 /nfs/dbraw/zinc/55/65/09/502556509.db2.gz NKLSFKADLOLASZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000480488254 502580229 /nfs/dbraw/zinc/58/02/29/502580229.db2.gz IDJXCOOWJGWSPV-SIKLNZKXSA-N 1 3 371.569 3.056 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000480488254 502580237 /nfs/dbraw/zinc/58/02/37/502580237.db2.gz IDJXCOOWJGWSPV-SIKLNZKXSA-N 1 3 371.569 3.056 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487965480 502582222 /nfs/dbraw/zinc/58/22/22/502582222.db2.gz TWJFUHGIZCYYSZ-ZWKOTPCHSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487965480 502582227 /nfs/dbraw/zinc/58/22/27/502582227.db2.gz TWJFUHGIZCYYSZ-ZWKOTPCHSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000480572081 502607200 /nfs/dbraw/zinc/60/72/00/502607200.db2.gz RIQKQXXRZXJMGQ-UWJYYQICSA-N 1 3 368.525 3.239 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365747 502633177 /nfs/dbraw/zinc/63/31/77/502633177.db2.gz HDWJJXOBELOMTM-RDJZCZTQSA-N 1 3 364.534 3.271 20 0 FGADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN(C2CCC2)C1 ZINC000488172516 502646904 /nfs/dbraw/zinc/64/69/04/502646904.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN(C2CCC2)C1 ZINC000488172516 502646910 /nfs/dbraw/zinc/64/69/10/502646910.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@H](CNC1CCN(Cc2ccccn2)CC1)[NH+]1CCC(C)CC1 ZINC000480741798 502657953 /nfs/dbraw/zinc/65/79/53/502657953.db2.gz AMUPFCMBVHPVAD-QFIPXVFZSA-N 1 3 358.574 3.392 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCC(C)CC2)[C@H](C)C1 ZINC000480763951 502664003 /nfs/dbraw/zinc/66/40/03/502664003.db2.gz WZFVMFBBQASBDO-BHIFYINESA-N 1 3 367.622 3.470 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480778895 502668700 /nfs/dbraw/zinc/66/87/00/502668700.db2.gz LXPRJTBNBFJSQF-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639084 502692028 /nfs/dbraw/zinc/69/20/28/502692028.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639084 502692033 /nfs/dbraw/zinc/69/20/33/502692033.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 1 3 370.541 3.089 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914396 502703048 /nfs/dbraw/zinc/70/30/48/502703048.db2.gz VMENRUUGWCHHAF-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914396 502703053 /nfs/dbraw/zinc/70/30/53/502703053.db2.gz VMENRUUGWCHHAF-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914398 502703386 /nfs/dbraw/zinc/70/33/86/502703386.db2.gz VMENRUUGWCHHAF-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914398 502703393 /nfs/dbraw/zinc/70/33/93/502703393.db2.gz VMENRUUGWCHHAF-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463137905 502704853 /nfs/dbraw/zinc/70/48/53/502704853.db2.gz AKZUSAAZSZVXJN-GMAHTHKFSA-N 1 3 372.601 3.047 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487331 502729877 /nfs/dbraw/zinc/72/98/77/502729877.db2.gz ZIWRNIRDTCLWPM-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487331 502729881 /nfs/dbraw/zinc/72/98/81/502729881.db2.gz ZIWRNIRDTCLWPM-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481025482 502731786 /nfs/dbraw/zinc/73/17/86/502731786.db2.gz PKBTWDOGQWRFKJ-AQNXPRMDSA-N 1 3 353.595 3.224 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000481033782 502735627 /nfs/dbraw/zinc/73/56/27/502735627.db2.gz HVDXLFVPOVCXEY-MHTWAQMVSA-N 1 3 367.622 3.470 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269736 502740916 /nfs/dbraw/zinc/74/09/16/502740916.db2.gz CANNWFPIQWLHNY-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762265 /nfs/dbraw/zinc/76/22/65/502762265.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 1 3 370.541 3.090 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762266 /nfs/dbraw/zinc/76/22/66/502762266.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932130 502781020 /nfs/dbraw/zinc/78/10/20/502781020.db2.gz CXQAUEKCXVRZQF-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000470531407 502806089 /nfs/dbraw/zinc/80/60/89/502806089.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000470531407 502806090 /nfs/dbraw/zinc/80/60/90/502806090.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 1 3 357.542 3.230 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000495325095 502823781 /nfs/dbraw/zinc/82/37/81/502823781.db2.gz DJXNHHSBPWWDIY-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000513167520 502868293 /nfs/dbraw/zinc/86/82/93/502868293.db2.gz WMSIMJZEWJDMGG-JOCHJYFZSA-N 1 3 367.537 3.431 20 0 FGADHO C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN(C2CCC2)C1 ZINC000489148807 502888247 /nfs/dbraw/zinc/88/82/47/502888247.db2.gz JVFLSISWDYPNPR-LJQANCHMSA-N 1 3 364.578 3.158 20 0 FGADHO CCCCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985377 502905954 /nfs/dbraw/zinc/90/59/54/502905954.db2.gz RUJJJXWAEVAZCQ-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985377 502905960 /nfs/dbraw/zinc/90/59/60/502905960.db2.gz RUJJJXWAEVAZCQ-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C(C)C ZINC000489241865 502908606 /nfs/dbraw/zinc/90/86/06/502908606.db2.gz XTORMUXWWFAENY-GOSISDBHSA-N 1 3 352.567 3.011 20 0 FGADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006845 502910576 /nfs/dbraw/zinc/91/05/76/502910576.db2.gz ITAKBEJFKPKUDI-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006845 502910580 /nfs/dbraw/zinc/91/05/80/502910580.db2.gz ITAKBEJFKPKUDI-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054757 502923254 /nfs/dbraw/zinc/92/32/54/502923254.db2.gz VBGWNIADWICTEV-LQWHRVPQSA-N 1 3 372.557 3.313 20 0 FGADHO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063144 502925721 /nfs/dbraw/zinc/92/57/21/502925721.db2.gz GFZZFNHEBJMCOR-DENIHFKCSA-N 1 3 359.558 3.494 20 0 FGADHO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063144 502925724 /nfs/dbraw/zinc/92/57/24/502925724.db2.gz GFZZFNHEBJMCOR-DENIHFKCSA-N 1 3 359.558 3.494 20 0 FGADHO COC(=O)c1cc(F)ccc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501072149 502928630 /nfs/dbraw/zinc/92/86/30/502928630.db2.gz ZJTYHXNHYQOKOI-UHFFFAOYSA-N 1 3 371.456 3.356 20 0 FGADHO CC(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000501186636 502955707 /nfs/dbraw/zinc/95/57/07/502955707.db2.gz KGISGEJGCBUPKG-SFTDATJTSA-N 1 3 374.573 3.345 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1F ZINC000501244691 502965868 /nfs/dbraw/zinc/96/58/68/502965868.db2.gz KQSUBUJTJOIQLJ-SFHVURJKSA-N 1 3 364.509 3.268 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000501244691 502965871 /nfs/dbraw/zinc/96/58/71/502965871.db2.gz KQSUBUJTJOIQLJ-SFHVURJKSA-N 1 3 364.509 3.268 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505709351 502970906 /nfs/dbraw/zinc/97/09/06/502970906.db2.gz OTVJTWCQOHJKGN-SFTDATJTSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505709351 502970911 /nfs/dbraw/zinc/97/09/11/502970911.db2.gz OTVJTWCQOHJKGN-SFTDATJTSA-N 1 3 370.541 3.099 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)cc1 ZINC000505754166 502979112 /nfs/dbraw/zinc/97/91/12/502979112.db2.gz DTGPEOXILNBZGL-IBGZPJMESA-N 1 3 365.949 3.147 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)cc1 ZINC000505754166 502979113 /nfs/dbraw/zinc/97/91/13/502979113.db2.gz DTGPEOXILNBZGL-IBGZPJMESA-N 1 3 365.949 3.147 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835283 502996091 /nfs/dbraw/zinc/99/60/91/502996091.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 1 3 357.542 3.278 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835283 502996096 /nfs/dbraw/zinc/99/60/96/502996096.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513672836 502997072 /nfs/dbraw/zinc/99/70/72/502997072.db2.gz MRURYTRNUXNNCY-NJDAHSKKSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513672836 502997075 /nfs/dbraw/zinc/99/70/75/502997075.db2.gz MRURYTRNUXNNCY-NJDAHSKKSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513672836 502997077 /nfs/dbraw/zinc/99/70/77/502997077.db2.gz MRURYTRNUXNNCY-NJDAHSKKSA-N 1 3 357.542 3.182 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501383871 502997431 /nfs/dbraw/zinc/99/74/31/502997431.db2.gz AOUAJAXSVQRTQO-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489758588 503026997 /nfs/dbraw/zinc/02/69/97/503026997.db2.gz NXDDLONZOZASBP-OALUTQOASA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000501524358 503028621 /nfs/dbraw/zinc/02/86/21/503028621.db2.gz RCQQCZPGIWRHLJ-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000501545828 503033949 /nfs/dbraw/zinc/03/39/49/503033949.db2.gz LBUPJUDPFNSFNM-FXAWDEMLSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000501545828 503033956 /nfs/dbraw/zinc/03/39/56/503033956.db2.gz LBUPJUDPFNSFNM-FXAWDEMLSA-N 1 3 360.546 3.025 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000501550416 503035548 /nfs/dbraw/zinc/03/55/48/503035548.db2.gz KPQHIDYMQMMJFM-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO CN(C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581518 503043959 /nfs/dbraw/zinc/04/39/59/503043959.db2.gz QBDIMKDRULJGHF-NRFANRHFSA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581518 503043962 /nfs/dbraw/zinc/04/39/62/503043962.db2.gz QBDIMKDRULJGHF-NRFANRHFSA-N 1 3 374.573 3.113 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccco1 ZINC000497851865 503054595 /nfs/dbraw/zinc/05/45/95/503054595.db2.gz HESXGTMEXCKBHM-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1CC)c1ccco1 ZINC000497851865 503054598 /nfs/dbraw/zinc/05/45/98/503054598.db2.gz HESXGTMEXCKBHM-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000501734501 503069330 /nfs/dbraw/zinc/06/93/30/503069330.db2.gz OLPYDSVTLYFRES-WOJBJXKFSA-N 1 3 374.573 3.176 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000501811391 503084720 /nfs/dbraw/zinc/08/47/20/503084720.db2.gz XMVJWSFEJSMYCI-FXAWDEMLSA-N 1 3 360.546 3.025 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821470 503087898 /nfs/dbraw/zinc/08/78/98/503087898.db2.gz FRVIBQGVISHUNP-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501842187 503091562 /nfs/dbraw/zinc/09/15/62/503091562.db2.gz LTHNOPQKQHSNSE-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCCC1 ZINC000510323653 503092044 /nfs/dbraw/zinc/09/20/44/503092044.db2.gz BFRQVJQZXZRPBH-IBGZPJMESA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336830 503094486 /nfs/dbraw/zinc/09/44/86/503094486.db2.gz NPKNONXPQKASOR-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336830 503094488 /nfs/dbraw/zinc/09/44/88/503094488.db2.gz NPKNONXPQKASOR-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000506339575 503097258 /nfs/dbraw/zinc/09/72/58/503097258.db2.gz JBTXTBCLMDLVDG-UHFFFAOYSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206298 503112366 /nfs/dbraw/zinc/11/23/66/503112366.db2.gz NPMYYGVTBIETJU-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000502130460 503148365 /nfs/dbraw/zinc/14/83/65/503148365.db2.gz SUVVYYFGIJZACH-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000498412668 503182019 /nfs/dbraw/zinc/18/20/19/503182019.db2.gz IDNNNQYDXBWFBH-WIYYLYMNSA-N 1 3 374.573 3.407 20 0 FGADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000510980986 503229197 /nfs/dbraw/zinc/22/91/97/503229197.db2.gz RGRTXMSXHGGRQZ-FDFHNCONSA-N 1 3 352.526 3.472 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN(C)CC[C@@H]3C)c2)CC1 ZINC000502763301 503266460 /nfs/dbraw/zinc/26/64/60/503266460.db2.gz OEZZHTAGTKSEOR-IBGZPJMESA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000502874997 503295649 /nfs/dbraw/zinc/29/56/49/503295649.db2.gz HKERIHDKCPHWAB-HXUWFJFHSA-N 1 3 357.542 3.279 20 0 FGADHO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000502874997 503295653 /nfs/dbraw/zinc/29/56/53/503295653.db2.gz HKERIHDKCPHWAB-HXUWFJFHSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418876 503318293 /nfs/dbraw/zinc/31/82/93/503318293.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418876 503318297 /nfs/dbraw/zinc/31/82/97/503318297.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 1 3 364.578 3.202 20 0 FGADHO CCC1(N(C)C)CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000602966543 506369018 /nfs/dbraw/zinc/36/90/18/506369018.db2.gz IYHFWXBCNQLPSB-UHFFFAOYSA-N 1 3 368.562 3.056 20 0 FGADHO C[C@H](OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832087 503408489 /nfs/dbraw/zinc/40/84/89/503408489.db2.gz JCBUVNSPDMKEIH-CDVRGPTDSA-N 1 3 366.933 3.383 20 0 FGADHO C[C@H](OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832087 503408491 /nfs/dbraw/zinc/40/84/91/503408491.db2.gz JCBUVNSPDMKEIH-CDVRGPTDSA-N 1 3 366.933 3.383 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000503485129 503418773 /nfs/dbraw/zinc/41/87/73/503418773.db2.gz GCMMYFFZEIIIKJ-QWFCFKBJSA-N 1 3 373.541 3.078 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000503485129 503418778 /nfs/dbraw/zinc/41/87/78/503418778.db2.gz GCMMYFFZEIIIKJ-QWFCFKBJSA-N 1 3 373.541 3.078 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962981 503424018 /nfs/dbraw/zinc/42/40/18/503424018.db2.gz ZGUUVKTZMCLMRV-LJQANCHMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000493824672 503448072 /nfs/dbraw/zinc/44/80/72/503448072.db2.gz TYQNOLKDQKVPHL-RTBURBONSA-N 1 3 353.510 3.131 20 0 FGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000493883381 503452592 /nfs/dbraw/zinc/45/25/92/503452592.db2.gz OINILWMQNCDHSH-FPOVZHCZSA-N 1 3 359.558 3.303 20 0 FGADHO CN(C)Cc1cnc(CNCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000512090311 503455123 /nfs/dbraw/zinc/45/51/23/503455123.db2.gz VEUJTYJXBFAFMC-UHFFFAOYSA-N 1 3 358.555 3.207 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917844 503458031 /nfs/dbraw/zinc/45/80/31/503458031.db2.gz VHWITVMWAJJHDD-PLACYPQZSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917844 503458032 /nfs/dbraw/zinc/45/80/32/503458032.db2.gz VHWITVMWAJJHDD-PLACYPQZSA-N 1 3 358.526 3.243 20 0 FGADHO Cc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)sc1Br ZINC000512145740 503468531 /nfs/dbraw/zinc/46/85/31/503468531.db2.gz NHRJOHHQZFZGKS-CYBMUJFWSA-N 1 3 374.392 3.496 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195459 503483011 /nfs/dbraw/zinc/48/30/11/503483011.db2.gz NUGBASLNCYJXIR-WIYYLYMNSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000516328655 503494913 /nfs/dbraw/zinc/49/49/13/503494913.db2.gz AXFHDHJBLCNJQH-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000499934176 503514280 /nfs/dbraw/zinc/51/42/80/503514280.db2.gz FODDYVOTRBEJFO-UHFFFAOYSA-N 1 3 353.894 3.095 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000499934176 503514284 /nfs/dbraw/zinc/51/42/84/503514284.db2.gz FODDYVOTRBEJFO-UHFFFAOYSA-N 1 3 353.894 3.095 20 0 FGADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177285 503535403 /nfs/dbraw/zinc/53/54/03/503535403.db2.gz PSXJUWANVXAJRJ-ZCNNSNEGSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177285 503535406 /nfs/dbraw/zinc/53/54/06/503535406.db2.gz PSXJUWANVXAJRJ-ZCNNSNEGSA-N 1 3 374.573 3.126 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645596 503559175 /nfs/dbraw/zinc/55/91/75/503559175.db2.gz IIVMHFFSKRQYAM-PZJWPPBQSA-N 1 3 358.913 3.355 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645596 503559176 /nfs/dbraw/zinc/55/91/76/503559176.db2.gz IIVMHFFSKRQYAM-PZJWPPBQSA-N 1 3 358.913 3.355 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000508894019 503592339 /nfs/dbraw/zinc/59/23/39/503592339.db2.gz JYNITIOQJZIKCQ-AZUAARDMSA-N 1 3 362.562 3.438 20 0 FGADHO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901107 503594920 /nfs/dbraw/zinc/59/49/20/503594920.db2.gz UEWPCOAGWWMEDW-WIYYLYMNSA-N 1 3 372.557 3.195 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C ZINC000508926896 503602070 /nfs/dbraw/zinc/60/20/70/503602070.db2.gz WMAITRORPNEQMI-RXVVDRJESA-N 1 3 372.557 3.256 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccccc3)CC2)CC1 ZINC000516876174 503606401 /nfs/dbraw/zinc/60/64/01/503606401.db2.gz PMEQSOFHEPZDSB-UHFFFAOYSA-N 1 3 357.542 3.234 20 0 FGADHO Cc1c([C@@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169701 503695975 /nfs/dbraw/zinc/69/59/75/503695975.db2.gz HTRJRDUSHXVDFU-FGTMMUONSA-N 1 3 371.529 3.116 20 0 FGADHO Cc1c([C@@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169701 503695980 /nfs/dbraw/zinc/69/59/80/503695980.db2.gz HTRJRDUSHXVDFU-FGTMMUONSA-N 1 3 371.529 3.116 20 0 FGADHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000533181472 503751758 /nfs/dbraw/zinc/75/17/58/503751758.db2.gz CXZADTHSHVTOKL-SFHVURJKSA-N 1 3 374.529 3.015 20 0 FGADHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000533181472 503751765 /nfs/dbraw/zinc/75/17/65/503751765.db2.gz CXZADTHSHVTOKL-SFHVURJKSA-N 1 3 374.529 3.015 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000543406858 503757395 /nfs/dbraw/zinc/75/73/95/503757395.db2.gz MYHKBYGWNFSDJE-NZQKXSOJSA-N 1 3 373.585 3.470 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000543406858 503757400 /nfs/dbraw/zinc/75/74/00/503757400.db2.gz MYHKBYGWNFSDJE-NZQKXSOJSA-N 1 3 373.585 3.470 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000537015733 503777078 /nfs/dbraw/zinc/77/70/78/503777078.db2.gz JGPUIQLQYZLLPI-LEWJYISDSA-N 1 3 355.526 3.181 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543655716 503842167 /nfs/dbraw/zinc/84/21/67/503842167.db2.gz GJCKCAFYIAKHBF-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@]12CCCO2 ZINC000546874260 503911939 /nfs/dbraw/zinc/91/19/39/503911939.db2.gz KSGWBDJOCWTTJV-RCOXNQKVSA-N 1 3 362.514 3.004 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991595 503967471 /nfs/dbraw/zinc/96/74/71/503967471.db2.gz HMXMOEKJIDKPHI-QPJICYPMSA-N 1 3 354.469 3.415 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540991595 503967476 /nfs/dbraw/zinc/96/74/76/503967476.db2.gz HMXMOEKJIDKPHI-QPJICYPMSA-N 1 3 354.469 3.415 20 0 FGADHO CC[N@H+](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456839 503990187 /nfs/dbraw/zinc/99/01/87/503990187.db2.gz BMSYYXWUJZBMCD-IBGZPJMESA-N 1 3 359.558 3.176 20 0 FGADHO CC[N@@H+](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456839 503990193 /nfs/dbraw/zinc/99/01/93/503990193.db2.gz BMSYYXWUJZBMCD-IBGZPJMESA-N 1 3 359.558 3.176 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000518457908 503991819 /nfs/dbraw/zinc/99/18/19/503991819.db2.gz WCNHAUQHGJYCSG-OTWHNJEPSA-N 1 3 373.541 3.039 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2Cl)c1 ZINC000518519471 504007921 /nfs/dbraw/zinc/00/79/21/504007921.db2.gz TZGNIHMQMQEJKN-SFHVURJKSA-N 1 3 362.901 3.321 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2Cl)c1 ZINC000518519471 504007928 /nfs/dbraw/zinc/00/79/28/504007928.db2.gz TZGNIHMQMQEJKN-SFHVURJKSA-N 1 3 362.901 3.321 20 0 FGADHO CN1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986796 504010274 /nfs/dbraw/zinc/01/02/74/504010274.db2.gz VISIPKMMKBLGGP-LEWJYISDSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](NCc1ccc2cn(C)nc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527961080 504018131 /nfs/dbraw/zinc/01/81/31/504018131.db2.gz GMBAUXQVMGBPHE-MRXNPFEDSA-N 1 3 352.482 3.365 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518593125 504022106 /nfs/dbraw/zinc/02/21/06/504022106.db2.gz ZVGHPAPGGWYHBM-AQNXPRMDSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598011 504024869 /nfs/dbraw/zinc/02/48/69/504024869.db2.gz ZPMMMXIXWBOOKV-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598011 504024872 /nfs/dbraw/zinc/02/48/72/504024872.db2.gz ZPMMMXIXWBOOKV-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367983 504078793 /nfs/dbraw/zinc/07/87/93/504078793.db2.gz GDMBWKSQKXQGEY-QZTJIDSGSA-N 1 3 371.525 3.019 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCCCC1 ZINC000541448710 504133319 /nfs/dbraw/zinc/13/33/19/504133319.db2.gz UBRMSOJYSPUZME-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179324 504158597 /nfs/dbraw/zinc/15/85/97/504158597.db2.gz HOCCEUCCOJTQMZ-SFTDATJTSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N(C)C1CC1 ZINC000519204725 504165216 /nfs/dbraw/zinc/16/52/16/504165216.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N(C)C1CC1 ZINC000519204725 504165218 /nfs/dbraw/zinc/16/52/18/504165218.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190543 /nfs/dbraw/zinc/19/05/43/504190543.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190548 /nfs/dbraw/zinc/19/05/48/504190548.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000544623764 504195030 /nfs/dbraw/zinc/19/50/30/504195030.db2.gz DYPLJDDMTQAJQH-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000544623764 504195035 /nfs/dbraw/zinc/19/50/35/504195035.db2.gz DYPLJDDMTQAJQH-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221796 /nfs/dbraw/zinc/22/17/96/504221796.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221802 /nfs/dbraw/zinc/22/18/02/504221802.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769737 504248460 /nfs/dbraw/zinc/24/84/60/504248460.db2.gz MUENPRMLPHNDFB-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000519614468 504274435 /nfs/dbraw/zinc/27/44/35/504274435.db2.gz PGYSGXLNWBVVNV-UHFFFAOYSA-N 1 3 367.940 3.371 20 0 FGADHO C(CN1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629050 504310094 /nfs/dbraw/zinc/31/00/94/504310094.db2.gz WYJBWCFJODTWJP-SFTDATJTSA-N 1 3 350.547 3.159 20 0 FGADHO C(CN1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629050 504310098 /nfs/dbraw/zinc/31/00/98/504310098.db2.gz WYJBWCFJODTWJP-SFTDATJTSA-N 1 3 350.547 3.159 20 0 FGADHO OC[C@]1(NCc2cccc(C[NH+]3CCCCC3)c2)COc2ccccc2C1 ZINC000528646171 504311686 /nfs/dbraw/zinc/31/16/86/504311686.db2.gz QDYVNTGMTPMANM-QHCPKHFHSA-N 1 3 366.505 3.128 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000519900953 504379444 /nfs/dbraw/zinc/37/94/44/504379444.db2.gz TWIRTRUTDIQRTG-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCCC[N@H+](C)C1CCCCC1 ZINC000545247225 504414885 /nfs/dbraw/zinc/41/48/85/504414885.db2.gz YPGZWWFULAQDTI-KRWDZBQOSA-N 1 3 371.525 3.305 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000545247225 504414894 /nfs/dbraw/zinc/41/48/94/504414894.db2.gz YPGZWWFULAQDTI-KRWDZBQOSA-N 1 3 371.525 3.305 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN(C)C1CCCCC1 ZINC000545247225 504414898 /nfs/dbraw/zinc/41/48/98/504414898.db2.gz YPGZWWFULAQDTI-KRWDZBQOSA-N 1 3 371.525 3.305 20 0 FGADHO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548482833 504461640 /nfs/dbraw/zinc/46/16/40/504461640.db2.gz GSTJVHNZHAEWDF-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482833 504461642 /nfs/dbraw/zinc/46/16/42/504461642.db2.gz GSTJVHNZHAEWDF-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482833 504461650 /nfs/dbraw/zinc/46/16/50/504461650.db2.gz GSTJVHNZHAEWDF-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936863 504480267 /nfs/dbraw/zinc/48/02/67/504480267.db2.gz ITBCEWSRIWZVON-FXAWDEMLSA-N 1 3 361.530 3.262 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000520379709 504483655 /nfs/dbraw/zinc/48/36/55/504483655.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000520379709 504483661 /nfs/dbraw/zinc/48/36/61/504483661.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000531960796 504487664 /nfs/dbraw/zinc/48/76/64/504487664.db2.gz RPUHYCBBPPYAPJ-VIQWUECVSA-N 1 3 370.459 3.377 20 0 FGADHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000542485953 504510546 /nfs/dbraw/zinc/51/05/46/504510546.db2.gz VLSRNJGGAUZYHK-HNNXBMFYSA-N 1 3 371.447 3.333 20 0 FGADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)N(C)C ZINC000539254725 504513977 /nfs/dbraw/zinc/51/39/77/504513977.db2.gz RDFTYSSYFYPQJQ-MJGOQNOKSA-N 1 3 361.530 3.069 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000520756750 504575365 /nfs/dbraw/zinc/57/53/65/504575365.db2.gz VZSHJEQIUHWRMN-XCJLJZCSSA-N 1 3 372.557 3.384 20 0 FGADHO CN(CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccncc1 ZINC000542787709 504610409 /nfs/dbraw/zinc/61/04/09/504610409.db2.gz MXNSLIWYOBUURD-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO CN(CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccncc1 ZINC000542787709 504610413 /nfs/dbraw/zinc/61/04/13/504610413.db2.gz MXNSLIWYOBUURD-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO Cc1ccc(-n2cc(CNCC3(O)CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000532346329 504618492 /nfs/dbraw/zinc/61/84/92/504618492.db2.gz JACWXMZESGMYAO-UHFFFAOYSA-N 1 3 370.541 3.025 20 0 FGADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OCC(C)C ZINC000532374252 504626605 /nfs/dbraw/zinc/62/66/05/504626605.db2.gz WKIQZZPAOCRIIH-UHFFFAOYSA-N 1 3 364.530 3.055 20 0 FGADHO CSc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645377 504637675 /nfs/dbraw/zinc/63/76/75/504637675.db2.gz LANRGMBKDQLZED-YOEHRIQHSA-N 1 3 369.550 3.291 20 0 FGADHO Cc1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000539688617 504653543 /nfs/dbraw/zinc/65/35/43/504653543.db2.gz IKTKXDPHAZLJKN-UZLBHIALSA-N 1 3 373.566 3.305 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700198 /nfs/dbraw/zinc/70/01/98/504700198.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 1 3 374.481 3.390 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700202 /nfs/dbraw/zinc/70/02/02/504700202.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 1 3 374.481 3.390 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549235178 504733818 /nfs/dbraw/zinc/73/38/18/504733818.db2.gz IFMWJOLBWIYELF-RMVXJAJNSA-N 1 3 364.574 3.187 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504765998 /nfs/dbraw/zinc/76/59/98/504765998.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504766002 /nfs/dbraw/zinc/76/60/02/504766002.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076800 504791123 /nfs/dbraw/zinc/79/11/23/504791123.db2.gz RKVKDQYKUCENBD-HZPDHXFCSA-N 1 3 357.473 3.217 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076800 504791125 /nfs/dbraw/zinc/79/11/25/504791125.db2.gz RKVKDQYKUCENBD-HZPDHXFCSA-N 1 3 357.473 3.217 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000559276616 504817652 /nfs/dbraw/zinc/81/76/52/504817652.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000559276616 504817656 /nfs/dbraw/zinc/81/76/56/504817656.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 1 3 357.542 3.374 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000549807466 504903260 /nfs/dbraw/zinc/90/32/60/504903260.db2.gz BKSAGJHOCPLKOG-RXVVDRJESA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000549807466 504903264 /nfs/dbraw/zinc/90/32/64/504903264.db2.gz BKSAGJHOCPLKOG-RXVVDRJESA-N 1 3 373.541 3.213 20 0 FGADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000562878773 504974036 /nfs/dbraw/zinc/97/40/36/504974036.db2.gz ZZUBUVQAHTUPPP-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000562878773 504974040 /nfs/dbraw/zinc/97/40/40/504974040.db2.gz ZZUBUVQAHTUPPP-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CCNC2 ZINC000557032631 505048279 /nfs/dbraw/zinc/04/82/79/505048279.db2.gz SIBQJRVMJWWKRO-HKUYNNGSSA-N 1 3 358.530 3.354 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000560525934 505114294 /nfs/dbraw/zinc/11/42/94/505114294.db2.gz BGNXSYNLMYNZNP-BSDSXHPESA-N 1 3 363.933 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000560525934 505114297 /nfs/dbraw/zinc/11/42/97/505114297.db2.gz BGNXSYNLMYNZNP-BSDSXHPESA-N 1 3 363.933 3.390 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000550886272 505119453 /nfs/dbraw/zinc/11/94/53/505119453.db2.gz GOXICPJAUZGACQ-UNMCSNQZSA-N 1 3 359.558 3.132 20 0 FGADHO O=C(CC[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000566250020 505123706 /nfs/dbraw/zinc/12/37/06/505123706.db2.gz AKOMXTRDGICXLP-KRWDZBQOSA-N 1 3 363.933 3.154 20 0 FGADHO C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556404 505125365 /nfs/dbraw/zinc/12/53/65/505125365.db2.gz BNBFIIOKPCBXMM-WGDIFIGCSA-N 1 3 374.550 3.356 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563460788 505146943 /nfs/dbraw/zinc/14/69/43/505146943.db2.gz RKTAZOXLJXAXNC-YADHBBJMSA-N 1 3 368.525 3.207 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551185269 505173888 /nfs/dbraw/zinc/17/38/88/505173888.db2.gz PXAHIMVRZNOUEF-UHFFFAOYSA-N 1 3 351.903 3.010 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000561109953 505253354 /nfs/dbraw/zinc/25/33/54/505253354.db2.gz VJHQRNODVWWTPB-UHFFFAOYSA-N 1 3 354.498 3.303 20 0 FGADHO Cc1ccccc1[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000561160470 505267876 /nfs/dbraw/zinc/26/78/76/505267876.db2.gz GOVLGEUGDKXNEE-NRFANRHFSA-N 1 3 357.542 3.415 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311322 /nfs/dbraw/zinc/31/13/22/505311322.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 1 3 363.505 3.070 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311323 /nfs/dbraw/zinc/31/13/23/505311323.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 1 3 363.505 3.070 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345375 505364670 /nfs/dbraw/zinc/36/46/70/505364670.db2.gz OANUCKJSDZQMJB-QXAKKESOSA-N 1 3 372.513 3.311 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000558364017 505368718 /nfs/dbraw/zinc/36/87/18/505368718.db2.gz KREFYXGMUDJCRX-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@H]21 ZINC000552044161 505380474 /nfs/dbraw/zinc/38/04/74/505380474.db2.gz SLDLZTPXPDEWTB-WCXIOVBPSA-N 1 3 365.468 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@H]21 ZINC000552044161 505380475 /nfs/dbraw/zinc/38/04/75/505380475.db2.gz SLDLZTPXPDEWTB-WCXIOVBPSA-N 1 3 365.468 3.329 20 0 FGADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000555232231 505386108 /nfs/dbraw/zinc/38/61/08/505386108.db2.gz YAVOEAUWKMMJBS-IBGZPJMESA-N 1 3 359.901 3.434 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560215 505453683 /nfs/dbraw/zinc/45/36/83/505453683.db2.gz USZUDVIAKPMCMY-JHVJFLLYSA-N 1 3 352.478 3.130 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)Cc2ccco2)CC1 ZINC000567453380 505467995 /nfs/dbraw/zinc/46/79/95/505467995.db2.gz TYTDBGIYZJCCCM-UYAOXDASSA-N 1 3 356.510 3.116 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000564624307 505472778 /nfs/dbraw/zinc/47/27/78/505472778.db2.gz DJUDKAYXYUQMEH-UHFFFAOYSA-N 1 3 360.498 3.083 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000564624307 505472781 /nfs/dbraw/zinc/47/27/81/505472781.db2.gz DJUDKAYXYUQMEH-UHFFFAOYSA-N 1 3 360.498 3.083 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065453 505508273 /nfs/dbraw/zinc/50/82/73/505508273.db2.gz RUOQMTKDVMHWNU-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065453 505508277 /nfs/dbraw/zinc/50/82/77/505508277.db2.gz RUOQMTKDVMHWNU-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065453 505508279 /nfs/dbraw/zinc/50/82/79/505508279.db2.gz RUOQMTKDVMHWNU-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO Cc1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000564940193 505561969 /nfs/dbraw/zinc/56/19/69/505561969.db2.gz LNMCCYOWVSEZOV-FXAWDEMLSA-N 1 3 360.546 3.083 20 0 FGADHO C[C@H](c1ccccc1Br)N(C)CCCN(C)CC[NH+](C)C ZINC000582868949 506462703 /nfs/dbraw/zinc/46/27/03/506462703.db2.gz OIIIYQKNDBIIOU-OAHLLOKOSA-N 1 3 356.352 3.325 20 0 FGADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618411 506634077 /nfs/dbraw/zinc/63/40/77/506634077.db2.gz YKIJSDKCIJOKRW-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608674015 506659558 /nfs/dbraw/zinc/65/95/58/506659558.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608674015 506659560 /nfs/dbraw/zinc/65/95/60/506659560.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 1 3 372.557 3.165 20 0 FGADHO CCc1ccc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000589947345 506686147 /nfs/dbraw/zinc/68/61/47/506686147.db2.gz AWJMMGZTZAPJEW-KRWDZBQOSA-N 1 3 357.542 3.027 20 0 FGADHO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000599966984 506729972 /nfs/dbraw/zinc/72/99/72/506729972.db2.gz AXEWJNOCYDDLRY-HXUWFJFHSA-N 1 3 371.569 3.322 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604189276 506743950 /nfs/dbraw/zinc/74/39/50/506743950.db2.gz XNQVDVMIHDWUHH-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604189276 506743953 /nfs/dbraw/zinc/74/39/53/506743953.db2.gz XNQVDVMIHDWUHH-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CCOC(=O)c1cccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000600142793 506801947 /nfs/dbraw/zinc/80/19/47/506801947.db2.gz PIBZDVRMEHRPES-UHFFFAOYSA-N 1 3 359.514 3.391 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000590819017 506979502 /nfs/dbraw/zinc/97/95/02/506979502.db2.gz SZUXXUXUCXVLDM-KRWDZBQOSA-N 1 3 354.922 3.132 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000590819017 506979510 /nfs/dbraw/zinc/97/95/10/506979510.db2.gz SZUXXUXUCXVLDM-KRWDZBQOSA-N 1 3 354.922 3.132 20 0 FGADHO Cc1cccc(OC[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000583866801 507020030 /nfs/dbraw/zinc/02/00/30/507020030.db2.gz HWFNWDFIFYNFDY-NRFANRHFSA-N 1 3 354.494 3.120 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000594316883 507077287 /nfs/dbraw/zinc/07/72/87/507077287.db2.gz GQGXUEPWXTWJPE-QZTJIDSGSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000594316883 507077293 /nfs/dbraw/zinc/07/72/93/507077293.db2.gz GQGXUEPWXTWJPE-QZTJIDSGSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203107 507151584 /nfs/dbraw/zinc/15/15/84/507151584.db2.gz DKIFOOOIYJJRBI-FCHUYYIVSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203107 507151589 /nfs/dbraw/zinc/15/15/89/507151589.db2.gz DKIFOOOIYJJRBI-FCHUYYIVSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)[C@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000584399071 507323952 /nfs/dbraw/zinc/32/39/52/507323952.db2.gz OIWUDVBFICBZLR-FQEVSTJZSA-N 1 3 358.530 3.210 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N2CCCC2)cc1 ZINC000601290610 507324611 /nfs/dbraw/zinc/32/46/11/507324611.db2.gz UESRKGUQGQTJBV-SFTDATJTSA-N 1 3 372.557 3.304 20 0 FGADHO Ic1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594993441 507344885 /nfs/dbraw/zinc/34/48/85/507344885.db2.gz GJYIBLVTSSZGTK-JKSUJKDBSA-N 1 3 370.278 3.050 20 0 FGADHO Ic1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594993441 507344882 /nfs/dbraw/zinc/34/48/82/507344882.db2.gz GJYIBLVTSSZGTK-JKSUJKDBSA-N 1 3 370.278 3.050 20 0 FGADHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595004662 507350565 /nfs/dbraw/zinc/35/05/65/507350565.db2.gz RAODCHMDRZDLKV-MRXNPFEDSA-N 1 3 370.278 3.352 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000584458140 507356435 /nfs/dbraw/zinc/35/64/35/507356435.db2.gz QTRLRPCETHHXBW-IYBDPMFKSA-N 1 3 358.530 3.210 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000584458140 507356439 /nfs/dbraw/zinc/35/64/39/507356439.db2.gz QTRLRPCETHHXBW-IYBDPMFKSA-N 1 3 358.530 3.210 20 0 FGADHO COc1cccc(CNCC2(SC)CC[NH+](C)CC2)c1OC(C)C ZINC000584462411 507359672 /nfs/dbraw/zinc/35/96/72/507359672.db2.gz CFKSBIGQQPQEQI-UHFFFAOYSA-N 1 3 352.544 3.399 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000606703735 507489439 /nfs/dbraw/zinc/48/94/39/507489439.db2.gz BTJTVJLSJBIHGW-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541932 /nfs/dbraw/zinc/54/19/32/507541932.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541938 /nfs/dbraw/zinc/54/19/38/507541938.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)N(C)C ZINC000592450460 507660358 /nfs/dbraw/zinc/66/03/58/507660358.db2.gz BESQEIGCXPDRGI-UEXGIBASSA-N 1 3 359.558 3.367 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)N(C)C ZINC000592450460 507660370 /nfs/dbraw/zinc/66/03/70/507660370.db2.gz BESQEIGCXPDRGI-UEXGIBASSA-N 1 3 359.558 3.367 20 0 FGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000586873565 507700151 /nfs/dbraw/zinc/70/01/51/507700151.db2.gz GVFSJHQQMZVEKG-FQEVSTJZSA-N 1 3 364.578 3.203 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000607384858 507716365 /nfs/dbraw/zinc/71/63/65/507716365.db2.gz GMOBBEMLDGGANL-NRFANRHFSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607384858 507716371 /nfs/dbraw/zinc/71/63/71/507716371.db2.gz GMOBBEMLDGGANL-NRFANRHFSA-N 1 3 365.521 3.390 20 0 FGADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000637137963 568439422 /nfs/dbraw/zinc/43/94/22/568439422.db2.gz WALYTUBBZJAJIB-HKUYNNGSSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725553 /nfs/dbraw/zinc/72/55/53/705725553.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725556 /nfs/dbraw/zinc/72/55/56/705725556.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1CN1CCCCC1 ZINC000183069562 705876153 /nfs/dbraw/zinc/87/61/53/705876153.db2.gz ZKFXAQUXLSLJOI-OXQOHEQNSA-N 1 3 364.555 3.200 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](CO)SC)cc1CN1CCCCC1 ZINC000246012957 713615378 /nfs/dbraw/zinc/61/53/78/713615378.db2.gz ILEQNMMQBNETII-YRNRMSPPSA-N 1 3 366.571 3.444 20 0 FGADHO O=c1[nH]c2ccc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713991 717923603 /nfs/dbraw/zinc/92/36/03/717923603.db2.gz WCYGDFIQTXFNHH-HNNXBMFYSA-N 1 3 356.495 3.332 20 0 FGADHO O=c1[nH]c2ccc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713991 717923604 /nfs/dbraw/zinc/92/36/04/717923604.db2.gz WCYGDFIQTXFNHH-HNNXBMFYSA-N 1 3 356.495 3.332 20 0 FGADHO C[C@H](C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000310514734 713799341 /nfs/dbraw/zinc/79/93/41/713799341.db2.gz XCSBSNKOSFVVDX-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000414814413 714005483 /nfs/dbraw/zinc/00/54/83/714005483.db2.gz VLUFNGUKEBCUHU-LLVKDONJSA-N 1 3 363.255 3.487 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000521941135 714158047 /nfs/dbraw/zinc/15/80/47/714158047.db2.gz ZPDHJUVPWZGXIE-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000521941135 714158048 /nfs/dbraw/zinc/15/80/48/714158048.db2.gz ZPDHJUVPWZGXIE-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CN1C(=O)C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472194 715342799 /nfs/dbraw/zinc/34/27/99/715342799.db2.gz HUGWUJUDWSTLCB-QANKJYHBSA-N 1 3 367.896 3.213 20 0 FGADHO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CN(C)C ZINC000623529985 715355205 /nfs/dbraw/zinc/35/52/05/715355205.db2.gz IBUWHYNSSDWFAW-SNVBAGLBSA-N 1 3 357.321 3.188 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000629515237 716301714 /nfs/dbraw/zinc/30/17/14/716301714.db2.gz NHESNVSQKXLQGE-UWVGGRQHSA-N 1 3 351.235 3.132 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758516 717598987 /nfs/dbraw/zinc/59/89/87/717598987.db2.gz VVYNMHFYEQEUMV-SJORKVTESA-N 1 3 361.555 3.218 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000644569577 718126889 /nfs/dbraw/zinc/12/68/89/718126889.db2.gz ZWKUCVSFSXQLBH-OAHLLOKOSA-N 1 3 368.319 3.242 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1Cl ZINC000644584191 718128404 /nfs/dbraw/zinc/12/84/04/718128404.db2.gz OYHZFXVPTKMLME-LJQANCHMSA-N 1 3 366.933 3.214 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000647342264 718351262 /nfs/dbraw/zinc/35/12/62/718351262.db2.gz LTWOQYFDYLSWBG-OAQYLSRUSA-N 1 3 354.579 3.433 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976247 718391468 /nfs/dbraw/zinc/39/14/68/718391468.db2.gz MBKBMYPIQZJHOE-RYRKJORJSA-N 1 3 363.933 3.056 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccccc3Br)C2)C1 ZINC000650705718 718717189 /nfs/dbraw/zinc/71/71/89/718717189.db2.gz STXRKIDVAWZLNX-UXLLHSPISA-N 1 3 353.304 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723165 718720648 /nfs/dbraw/zinc/72/06/48/718720648.db2.gz IETRBIBSCDKGNS-JLSDUUJJSA-N 1 3 358.511 3.066 20 0 FGADHO Cc1c(Br)cccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350383 718935393 /nfs/dbraw/zinc/93/53/93/718935393.db2.gz WJFFIPBUXLUOPV-LZLYRXPVSA-N 1 3 367.331 3.476 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629616 719106073 /nfs/dbraw/zinc/10/60/73/719106073.db2.gz SWAPGAQODLAZLK-PZJWPPBQSA-N 1 3 359.477 3.368 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629616 719106075 /nfs/dbraw/zinc/10/60/75/719106075.db2.gz SWAPGAQODLAZLK-PZJWPPBQSA-N 1 3 359.477 3.368 20 0 FGADHO Cc1nn2c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783071 719470164 /nfs/dbraw/zinc/47/01/64/719470164.db2.gz NUHPGDDRLGUTEE-INIZCTEOSA-N 1 3 361.559 3.434 20 0 FGADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1sccc1Br ZINC000658110572 719758107 /nfs/dbraw/zinc/75/81/07/719758107.db2.gz YVXNUMMFBVONHI-QWHCGFSZSA-N 1 3 362.381 3.433 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662279725 720409009 /nfs/dbraw/zinc/40/90/09/720409009.db2.gz BLLKIJYZGGPQSM-FUHWJXTLSA-N 1 3 356.482 3.275 20 0 FGADHO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294677 720411513 /nfs/dbraw/zinc/41/15/13/720411513.db2.gz DRPKMKUVKDMYJL-NVXWUHKLSA-N 1 3 361.555 3.447 20 0 FGADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368284 720506514 /nfs/dbraw/zinc/50/65/14/720506514.db2.gz CSEXLWSAMMVCAO-IRXDYDNUSA-N 1 3 356.432 3.192 20 0 FGADHO OC1(CCNCc2ccc(Cl)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000717932406 722417905 /nfs/dbraw/zinc/41/79/05/722417905.db2.gz BFIMCBRCOKZUCU-UHFFFAOYSA-N 1 3 359.901 3.242 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156272 723040422 /nfs/dbraw/zinc/04/04/22/723040422.db2.gz JWOVRMFVULQYNB-QWHCGFSZSA-N 1 3 359.345 3.252 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC000795126446 723565549 /nfs/dbraw/zinc/56/55/49/723565549.db2.gz WJRBJCJIGHDRSD-MSOLQXFVSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC000795126446 723565551 /nfs/dbraw/zinc/56/55/51/723565551.db2.gz WJRBJCJIGHDRSD-MSOLQXFVSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000796736804 723652595 /nfs/dbraw/zinc/65/25/95/723652595.db2.gz HPMCCPJLPMLPMW-TWMKSMIVSA-N 1 3 358.404 3.081 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000796736804 723652596 /nfs/dbraw/zinc/65/25/96/723652596.db2.gz HPMCCPJLPMLPMW-TWMKSMIVSA-N 1 3 358.404 3.081 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)cc1CN1CCCCC1 ZINC000775416264 723989421 /nfs/dbraw/zinc/98/94/21/723989421.db2.gz XODVRXOLGIZVIG-XOWTYJCDSA-N 1 3 366.571 3.489 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CN1CCCC1 ZINC000788548695 725072099 /nfs/dbraw/zinc/07/20/99/725072099.db2.gz SIOOGOLXDMAFET-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749752 725264956 /nfs/dbraw/zinc/26/49/56/725264956.db2.gz JWZVPWOGPDXTTL-HXUWFJFHSA-N 1 3 353.551 3.441 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525721 725372591 /nfs/dbraw/zinc/37/25/91/725372591.db2.gz XXCYLRUMLVROAB-QMTMVMCOSA-N 1 3 353.482 3.038 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525721 725372592 /nfs/dbraw/zinc/37/25/92/725372592.db2.gz XXCYLRUMLVROAB-QMTMVMCOSA-N 1 3 353.482 3.038 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183958 /nfs/dbraw/zinc/18/39/58/727183958.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183961 /nfs/dbraw/zinc/18/39/61/727183961.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 1 3 351.535 3.051 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900259 727287412 /nfs/dbraw/zinc/28/74/12/727287412.db2.gz LSNCUOIZYRWXOT-YLFCFFPRSA-N 1 3 358.404 3.129 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc(Cl)n1 ZINC000828540408 729444781 /nfs/dbraw/zinc/44/47/81/729444781.db2.gz ALBKRQATNGLTAO-KRWDZBQOSA-N 1 3 360.889 3.176 20 0 FGADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398375 730614585 /nfs/dbraw/zinc/61/45/85/730614585.db2.gz IBWKPPQAEBDXLF-QAPCUYQASA-N 1 3 351.535 3.096 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350522 731251519 /nfs/dbraw/zinc/25/15/19/731251519.db2.gz OZPASZSLESOQBE-OAHLLOKOSA-N 1 3 361.921 3.142 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025759 735577867 /nfs/dbraw/zinc/57/78/67/735577867.db2.gz SPABTKCTRWWJGC-HFTRVMKXSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025759 735577870 /nfs/dbraw/zinc/57/78/70/735577870.db2.gz SPABTKCTRWWJGC-HFTRVMKXSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025759 735577871 /nfs/dbraw/zinc/57/78/71/735577871.db2.gz SPABTKCTRWWJGC-HFTRVMKXSA-N 1 3 367.331 3.458 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877144953 736192550 /nfs/dbraw/zinc/19/25/50/736192550.db2.gz AMAIILRIHMYATJ-UHFFFAOYSA-N 1 3 352.935 3.067 20 0 FGADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000877190432 736196601 /nfs/dbraw/zinc/19/66/01/736196601.db2.gz FISZERZLTIYBNU-SFHVURJKSA-N 1 3 359.901 3.169 20 0 FGADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000877190432 736196604 /nfs/dbraw/zinc/19/66/04/736196604.db2.gz FISZERZLTIYBNU-SFHVURJKSA-N 1 3 359.901 3.169 20 0 FGADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1)C1CCCC1 ZINC000877443581 736219857 /nfs/dbraw/zinc/21/98/57/736219857.db2.gz DYPJJASRIJLBIU-RHSMWYFYSA-N 1 3 361.555 3.154 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626486 739277451 /nfs/dbraw/zinc/27/74/51/739277451.db2.gz CQCXRLYSFDHKHG-XCDZQEORSA-N 1 3 350.453 3.178 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626486 739277453 /nfs/dbraw/zinc/27/74/53/739277453.db2.gz CQCXRLYSFDHKHG-XCDZQEORSA-N 1 3 350.453 3.178 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1(F)F ZINC000886626486 739277457 /nfs/dbraw/zinc/27/74/57/739277457.db2.gz CQCXRLYSFDHKHG-XCDZQEORSA-N 1 3 350.453 3.178 20 0 FGADHO CCC1(N2CCC2)CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886710807 739288921 /nfs/dbraw/zinc/28/89/21/739288921.db2.gz GNSNJSPCZRETDQ-QGZVFWFLSA-N 1 3 351.535 3.194 20 0 FGADHO CSCc1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000886757262 739292305 /nfs/dbraw/zinc/29/23/05/739292305.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 1 3 359.543 3.201 20 0 FGADHO CSCc1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000886757262 739292307 /nfs/dbraw/zinc/29/23/07/739292307.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 1 3 359.543 3.201 20 0 FGADHO FC(F)(F)SCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000886841711 739311049 /nfs/dbraw/zinc/31/10/49/739311049.db2.gz SVFVDEQBIHSQER-UHFFFAOYSA-N 1 3 362.465 3.309 20 0 FGADHO CCOC(=O)c1ncc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000892587563 740020016 /nfs/dbraw/zinc/02/00/16/740020016.db2.gz AJUOFLJQCUEISQ-GASCZTMLSA-N 1 3 353.532 3.168 20 0 FGADHO CCOC(=O)c1ncc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000892587563 740020022 /nfs/dbraw/zinc/02/00/22/740020022.db2.gz AJUOFLJQCUEISQ-GASCZTMLSA-N 1 3 353.532 3.168 20 0 FGADHO [NH3+]CCCC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368186 743737588 /nfs/dbraw/zinc/73/75/88/743737588.db2.gz FBTVGOQJXZYIQU-YJBOKZPZSA-N 1 3 354.441 3.410 20 0 FGADHO Clc1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc2c1OCCO2 ZINC000903082193 743802875 /nfs/dbraw/zinc/80/28/75/743802875.db2.gz QYYXNTNMJGQNLY-ZXFUBFMLSA-N 1 3 362.901 3.401 20 0 FGADHO Clc1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2c1OCCO2 ZINC000903082193 743802882 /nfs/dbraw/zinc/80/28/82/743802882.db2.gz QYYXNTNMJGQNLY-ZXFUBFMLSA-N 1 3 362.901 3.401 20 0 FGADHO CC[C@](O)(CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074331 743991550 /nfs/dbraw/zinc/99/15/50/743991550.db2.gz GQXYJUYOFFHFGO-HIFRSBDPSA-N 1 3 350.450 3.253 20 0 FGADHO CC[C@](O)(CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074331 743991553 /nfs/dbraw/zinc/99/15/53/743991553.db2.gz GQXYJUYOFFHFGO-HIFRSBDPSA-N 1 3 350.450 3.253 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000940757147 762159800 /nfs/dbraw/zinc/15/98/00/762159800.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 1 3 363.571 3.195 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000940757147 762159805 /nfs/dbraw/zinc/15/98/05/762159805.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 1 3 363.571 3.195 20 0 FGADHO [NH3+]C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372910 759106935 /nfs/dbraw/zinc/10/69/35/759106935.db2.gz KIFUAURFWWSCJB-HOCLYGCPSA-N 1 3 361.313 3.230 20 0 FGADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925784474 759537852 /nfs/dbraw/zinc/53/78/52/759537852.db2.gz SBJUQDNILHAYIX-XPTSAGLGSA-N 1 3 363.221 3.410 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857555 759561549 /nfs/dbraw/zinc/56/15/49/759561549.db2.gz PNRZWJBFUWWLGX-IUODEOHRSA-N 1 3 362.857 3.422 20 0 FGADHO CC[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857307 759561714 /nfs/dbraw/zinc/56/17/14/759561714.db2.gz ZKAOMRUMUDPKCL-HOCLYGCPSA-N 1 3 366.889 3.075 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747082 760447647 /nfs/dbraw/zinc/44/76/47/760447647.db2.gz ARNVTGDUQOHYQY-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747082 760447654 /nfs/dbraw/zinc/44/76/54/760447654.db2.gz ARNVTGDUQOHYQY-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747082 760447659 /nfs/dbraw/zinc/44/76/59/760447659.db2.gz ARNVTGDUQOHYQY-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(Cl)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828433 764970624 /nfs/dbraw/zinc/97/06/24/764970624.db2.gz XZLLSCCOFLQUMF-YUELXQCFSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(Cl)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995828433 764970625 /nfs/dbraw/zinc/97/06/25/764970625.db2.gz XZLLSCCOFLQUMF-YUELXQCFSA-N 1 3 369.962 3.068 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022106058 765974070 /nfs/dbraw/zinc/97/40/70/765974070.db2.gz DTWWDKBMTHIKEX-BBHOWBALSA-N 1 3 363.933 3.368 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001022106058 765974073 /nfs/dbraw/zinc/97/40/73/765974073.db2.gz DTWWDKBMTHIKEX-BBHOWBALSA-N 1 3 363.933 3.368 20 0 FGADHO CN(C)C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000802383278 724380543 /nfs/dbraw/zinc/38/05/43/724380543.db2.gz NQCIKWBYBAAUCV-GOSISDBHSA-N 1 3 351.922 3.325 20 0 FGADHO CCN1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745037 257344081 /nfs/dbraw/zinc/34/40/81/257344081.db2.gz SAGNUMNEQUCOPT-SFHVURJKSA-N 1 3 361.493 3.366 20 0 FGADHO CCn1nc(C)c(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585755 /nfs/dbraw/zinc/58/57/55/505585755.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 1 3 352.526 3.474 20 0 FGADHO CCn1nc(C)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585759 /nfs/dbraw/zinc/58/57/59/505585759.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 1 3 352.526 3.474 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839873 505592443 /nfs/dbraw/zinc/59/24/43/505592443.db2.gz PEQUILKREUUNQL-PKOBYXMFSA-N 1 3 372.538 3.089 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000576897366 505618993 /nfs/dbraw/zinc/61/89/93/505618993.db2.gz ZIGJICNRBIUCMC-FXAWDEMLSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302481 505662041 /nfs/dbraw/zinc/66/20/41/505662041.db2.gz CGMOETLUKVLWEA-NNWRFLSQSA-N 1 3 372.553 3.320 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105853 505665189 /nfs/dbraw/zinc/66/51/89/505665189.db2.gz WSWHEZQWBQFPFP-QGZVFWFLSA-N 1 3 352.592 3.289 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105853 505665193 /nfs/dbraw/zinc/66/51/93/505665193.db2.gz WSWHEZQWBQFPFP-QGZVFWFLSA-N 1 3 352.592 3.289 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000571214192 505680830 /nfs/dbraw/zinc/68/08/30/505680830.db2.gz VXQZJVOPKJGEAF-IBGZPJMESA-N 1 3 360.546 3.171 20 0 FGADHO CN(CCC(=O)Nc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110017 493824262 /nfs/dbraw/zinc/82/42/62/493824262.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 1 3 351.494 3.469 20 0 FGADHO CN(CCC(=O)Nc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110017 493824265 /nfs/dbraw/zinc/82/42/65/493824265.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 1 3 351.494 3.469 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052524373 494035600 /nfs/dbraw/zinc/03/56/00/494035600.db2.gz TYXJHKXKVKUNED-DBXWQHBBSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C(C)(C)C)CC1 ZINC000052557971 494039810 /nfs/dbraw/zinc/03/98/10/494039810.db2.gz JUPPZRSGPBDJPS-SFHVURJKSA-N 1 3 359.558 3.442 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000574120247 505697708 /nfs/dbraw/zinc/69/77/08/505697708.db2.gz OBEZQPIMJVVWQO-UHFFFAOYSA-N 1 3 350.503 3.353 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000574120247 505697711 /nfs/dbraw/zinc/69/77/11/505697711.db2.gz OBEZQPIMJVVWQO-UHFFFAOYSA-N 1 3 350.503 3.353 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N(C)C)cc1 ZINC000071922871 494108226 /nfs/dbraw/zinc/10/82/26/494108226.db2.gz YLXYIOURZSFBAM-OAQYLSRUSA-N 1 3 374.573 3.463 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085361530 494116678 /nfs/dbraw/zinc/11/66/78/494116678.db2.gz GLUAQZJFASMCKE-MSOLQXFVSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386981 494118044 /nfs/dbraw/zinc/11/80/44/494118044.db2.gz FPBOYYHLSPHNNI-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000089512920 494318896 /nfs/dbraw/zinc/31/88/96/494318896.db2.gz OIFIUISEAKJUJI-OAHLLOKOSA-N 1 3 367.559 3.362 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079096902 494403453 /nfs/dbraw/zinc/40/34/53/494403453.db2.gz UZDPUEQGHSWDEX-OAQYLSRUSA-N 1 3 372.557 3.071 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666607 494410240 /nfs/dbraw/zinc/41/02/40/494410240.db2.gz GKRMFKFRDVLNAP-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666607 494410242 /nfs/dbraw/zinc/41/02/42/494410242.db2.gz GKRMFKFRDVLNAP-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000090038800 494432493 /nfs/dbraw/zinc/43/24/93/494432493.db2.gz IEXHNZFLPYVGMJ-QZTJIDSGSA-N 1 3 353.510 3.260 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900911 494445514 /nfs/dbraw/zinc/44/55/14/494445514.db2.gz ACPQZBWEHKAFJB-WMZOPIPTSA-N 1 3 364.534 3.015 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900911 494445516 /nfs/dbraw/zinc/44/55/16/494445516.db2.gz ACPQZBWEHKAFJB-WMZOPIPTSA-N 1 3 364.534 3.015 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000073967683 494457888 /nfs/dbraw/zinc/45/78/88/494457888.db2.gz NHXJMEQINSRSJT-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000090936995 494504262 /nfs/dbraw/zinc/50/42/62/494504262.db2.gz VIUSFKQZHHDAAZ-IRXDYDNUSA-N 1 3 357.498 3.312 20 0 FGADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522447 494519946 /nfs/dbraw/zinc/51/99/46/494519946.db2.gz AOWBSSPKPACACT-OAHLLOKOSA-N 1 3 351.922 3.008 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000067381917 494527424 /nfs/dbraw/zinc/52/74/24/494527424.db2.gz RBVQBPWTCMDYIC-UHFFFAOYSA-N 1 3 360.546 3.153 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000067381779 494527486 /nfs/dbraw/zinc/52/74/86/494527486.db2.gz OJVUPEDNZBEYCZ-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580297496 505726262 /nfs/dbraw/zinc/72/62/62/505726262.db2.gz IFJPKXIAFDFQQR-CTNGQTDRSA-N 1 3 372.488 3.038 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667875 494580463 /nfs/dbraw/zinc/58/04/63/494580463.db2.gz SGPOEQDIXVVCLX-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391699 494605235 /nfs/dbraw/zinc/60/52/35/494605235.db2.gz KDGLQKWIMLUKRP-UXHICEINSA-N 1 3 365.949 3.033 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856588 494625698 /nfs/dbraw/zinc/62/56/98/494625698.db2.gz OAGFPFSDZWMQFI-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000121166309 494628024 /nfs/dbraw/zinc/62/80/24/494628024.db2.gz DLPBTJDANRXITB-HOTGVXAUSA-N 1 3 368.363 3.373 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057169609 494664810 /nfs/dbraw/zinc/66/48/10/494664810.db2.gz FGKLSVQCGYYWCU-UHFFFAOYSA-N 1 3 365.521 3.277 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)CC1 ZINC000580342886 505736491 /nfs/dbraw/zinc/73/64/91/505736491.db2.gz DCEQEQPVJPYBGV-UHFFFAOYSA-N 1 3 369.509 3.245 20 0 FGADHO Cc1ccccc1[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000116184494 494725360 /nfs/dbraw/zinc/72/53/60/494725360.db2.gz NUXCCQCNGDQGLW-GOSISDBHSA-N 1 3 357.542 3.163 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000092739568 494733710 /nfs/dbraw/zinc/73/37/10/494733710.db2.gz QQSHHFYSALFWOU-KRWDZBQOSA-N 1 3 356.489 3.209 20 0 FGADHO COCCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742010 494736158 /nfs/dbraw/zinc/73/61/58/494736158.db2.gz SDJNEYHWBXSKAA-XHSDSOJGSA-N 1 3 369.575 3.180 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126520752 494777986 /nfs/dbraw/zinc/77/79/86/494777986.db2.gz HUPOCUOIRLXHGF-QFIPXVFZSA-N 1 3 371.569 3.395 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126648181 494810470 /nfs/dbraw/zinc/81/04/70/494810470.db2.gz ZGUITAGEXJMFDH-QFIPXVFZSA-N 1 3 353.485 3.350 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714611 494824735 /nfs/dbraw/zinc/82/47/35/494824735.db2.gz YHMZQNNIWCGWOV-QFIPXVFZSA-N 1 3 365.521 3.438 20 0 FGADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688718 494912332 /nfs/dbraw/zinc/91/23/32/494912332.db2.gz AKZBWZFZOZTFCF-QGZVFWFLSA-N 1 3 362.514 3.181 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735037 494914578 /nfs/dbraw/zinc/91/45/78/494914578.db2.gz PYBFYZCJSGFKMA-UHFFFAOYSA-N 1 3 368.525 3.462 20 0 FGADHO CC(=O)Nc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844302 494927001 /nfs/dbraw/zinc/92/70/01/494927001.db2.gz KQTSMLVWFRCHGS-ROUUACIJSA-N 1 3 373.541 3.356 20 0 FGADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OC ZINC000132805297 494927088 /nfs/dbraw/zinc/92/70/88/494927088.db2.gz OUVIKBRVOCGGTB-SJORKVTESA-N 1 3 362.514 3.164 20 0 FGADHO CN1CCC(CN[C@H](c2ncc[nH]2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000127432864 494943550 /nfs/dbraw/zinc/94/35/50/494943550.db2.gz USDJZYMQTHAVQH-FQEVSTJZSA-N 1 3 367.541 3.039 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097710 494968683 /nfs/dbraw/zinc/96/86/83/494968683.db2.gz MJCDXIOSRVLDTQ-LSDHHAIUSA-N 1 3 354.441 3.440 20 0 FGADHO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110690528 495000653 /nfs/dbraw/zinc/00/06/53/495000653.db2.gz ORUUHUSPKVFIFQ-DENIHFKCSA-N 1 3 369.553 3.026 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000133399441 495009406 /nfs/dbraw/zinc/00/94/06/495009406.db2.gz IBLGAHFNDIVYCH-UHFFFAOYSA-N 1 3 366.509 3.048 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000577601438 505761772 /nfs/dbraw/zinc/76/17/72/505761772.db2.gz IYBGCRYQTHGJTN-UNMCSNQZSA-N 1 3 369.553 3.060 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000111808230 495114027 /nfs/dbraw/zinc/11/40/27/495114027.db2.gz HRWWVEYADWPNOB-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000123419767 495129582 /nfs/dbraw/zinc/12/95/82/495129582.db2.gz TZUJEBZXUVOIPU-UHFFFAOYSA-N 1 3 366.509 3.190 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000119318787 495141343 /nfs/dbraw/zinc/14/13/43/495141343.db2.gz PKBKWXCBDDEZDM-UUKMXZOPSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000129062969 495191123 /nfs/dbraw/zinc/19/11/23/495191123.db2.gz JJVCRLMYDHBLJJ-RYRKJORJSA-N 1 3 358.530 3.040 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574410595 505766812 /nfs/dbraw/zinc/76/68/12/505766812.db2.gz QVRQWWJQAYPBJJ-JOCHJYFZSA-N 1 3 359.558 3.336 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574410595 505766817 /nfs/dbraw/zinc/76/68/17/505766817.db2.gz QVRQWWJQAYPBJJ-JOCHJYFZSA-N 1 3 359.558 3.336 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000119656093 495210523 /nfs/dbraw/zinc/21/05/23/495210523.db2.gz KXGLQYVMIOAOGD-MRXNPFEDSA-N 1 3 357.498 3.202 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000119656093 495210525 /nfs/dbraw/zinc/21/05/25/495210525.db2.gz KXGLQYVMIOAOGD-MRXNPFEDSA-N 1 3 357.498 3.202 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC(C)(C)C1 ZINC000112701620 495226117 /nfs/dbraw/zinc/22/61/17/495226117.db2.gz XJKBKNKTLIAXJW-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405287 495281887 /nfs/dbraw/zinc/28/18/87/495281887.db2.gz KDGKYYPVBLXXAL-LJQANCHMSA-N 1 3 373.516 3.125 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083440 495334711 /nfs/dbraw/zinc/33/47/11/495334711.db2.gz CJYMSAMDDZAUPQ-FPOVZHCZSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083440 495334712 /nfs/dbraw/zinc/33/47/12/495334712.db2.gz CJYMSAMDDZAUPQ-FPOVZHCZSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000105083416 495335486 /nfs/dbraw/zinc/33/54/86/495335486.db2.gz FWMMIAQXOBOFDK-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000105083416 495335487 /nfs/dbraw/zinc/33/54/87/495335487.db2.gz FWMMIAQXOBOFDK-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000114455410 495377023 /nfs/dbraw/zinc/37/70/23/495377023.db2.gz HVYAMUWBXHWJAZ-OAQYLSRUSA-N 1 3 357.542 3.073 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125013539 495378242 /nfs/dbraw/zinc/37/82/42/495378242.db2.gz PLKWRJZXMWBSIQ-UHFFFAOYSA-N 1 3 374.573 3.400 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4cccc(F)c4)CC3)CC2)CC1 ZINC000574464036 505778824 /nfs/dbraw/zinc/77/88/24/505778824.db2.gz YJXJFBBLOOWYTM-UHFFFAOYSA-N 1 3 373.516 3.127 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000120571531 495408105 /nfs/dbraw/zinc/40/81/05/495408105.db2.gz AVMVGPUNFZFDMW-HOTGVXAUSA-N 1 3 358.530 3.259 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000125328071 495427168 /nfs/dbraw/zinc/42/71/68/495427168.db2.gz KBGVYCRPIOJRKW-QNWVGRARSA-N 1 3 372.601 3.216 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411427 495461516 /nfs/dbraw/zinc/46/15/16/495461516.db2.gz ZHJDCQIUYJCQJK-ZWKOTPCHSA-N 1 3 361.530 3.043 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131127437 495496076 /nfs/dbraw/zinc/49/60/76/495496076.db2.gz QMKAPPKRXAPZMM-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917075 495518154 /nfs/dbraw/zinc/51/81/54/495518154.db2.gz ODLDNMMEBKGQFL-YOEHRIQHSA-N 1 3 355.548 3.075 20 0 FGADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125922110 495519681 /nfs/dbraw/zinc/51/96/81/495519681.db2.gz ATXOWAFSTWXXDE-SUMWQHHRSA-N 1 3 358.523 3.246 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362688 495533551 /nfs/dbraw/zinc/53/35/51/495533551.db2.gz NPDFUKVYEODCFC-QZTJIDSGSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362688 495533557 /nfs/dbraw/zinc/53/35/57/495533557.db2.gz NPDFUKVYEODCFC-QZTJIDSGSA-N 1 3 364.578 3.203 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154266259 495561650 /nfs/dbraw/zinc/56/16/50/495561650.db2.gz VJEZWKSUBZTPMA-KRWDZBQOSA-N 1 3 353.963 3.494 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154330522 495583178 /nfs/dbraw/zinc/58/31/78/495583178.db2.gz DVQCFSUZSFSUBQ-GOSISDBHSA-N 1 3 371.447 3.190 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000170756372 495592312 /nfs/dbraw/zinc/59/23/12/495592312.db2.gz KJHQPBPMMOUPAR-OAQYLSRUSA-N 1 3 374.573 3.368 20 0 FGADHO CC[C@H]1[C@@H](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674115 495673997 /nfs/dbraw/zinc/67/39/97/495673997.db2.gz NHUFSAYUFYLADB-RXVVDRJESA-N 1 3 357.542 3.196 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176572431 495704108 /nfs/dbraw/zinc/70/41/08/495704108.db2.gz LRRPIEXLHOLGKQ-UXHICEINSA-N 1 3 362.562 3.052 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176631898 495727465 /nfs/dbraw/zinc/72/74/65/495727465.db2.gz UBLRPWORVLNPFD-PMACEKPBSA-N 1 3 360.546 3.153 20 0 FGADHO CCOc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173945424 495756556 /nfs/dbraw/zinc/75/65/56/495756556.db2.gz JIMKWGHDWBUXGY-UHFFFAOYSA-N 1 3 362.514 3.041 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259521 495884732 /nfs/dbraw/zinc/88/47/32/495884732.db2.gz JIUCQECJQQAJDB-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO CCC(CC)(CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155290522 495905999 /nfs/dbraw/zinc/90/59/99/495905999.db2.gz LMXOQGMRBLFRML-UHFFFAOYSA-N 1 3 352.567 3.061 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1Oc1cccnc1 ZINC000177374307 496036316 /nfs/dbraw/zinc/03/63/16/496036316.db2.gz KHGYQPDPSZPOKW-UHFFFAOYSA-N 1 3 368.525 3.332 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000177521674 496096156 /nfs/dbraw/zinc/09/61/56/496096156.db2.gz YRYGEGXKHJGBOU-NHCUHLMSSA-N 1 3 369.553 3.198 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(CN(C)C)c1 ZINC000156163281 496174404 /nfs/dbraw/zinc/17/44/04/496174404.db2.gz ZAFWTKDULAFFAV-UHFFFAOYSA-N 1 3 353.510 3.472 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000172171558 496194069 /nfs/dbraw/zinc/19/40/69/496194069.db2.gz QUYHAVQSCOOVKU-IBGZPJMESA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000172199748 496206504 /nfs/dbraw/zinc/20/65/04/496206504.db2.gz VKNRJGUOKFWSGT-NRFANRHFSA-N 1 3 372.557 3.071 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H]1CN1CCCCC1 ZINC000161626395 496210073 /nfs/dbraw/zinc/21/00/73/496210073.db2.gz CCPZKLXVSZECAQ-FQEVSTJZSA-N 1 3 364.578 3.303 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000156444511 496246486 /nfs/dbraw/zinc/24/64/86/496246486.db2.gz NVXVBAHMTOABGP-QUCCMNQESA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000156444511 496246488 /nfs/dbraw/zinc/24/64/88/496246488.db2.gz NVXVBAHMTOABGP-QUCCMNQESA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(OCCN(C)C)c1 ZINC000152760576 496248687 /nfs/dbraw/zinc/24/86/87/496248687.db2.gz KWLNVSUZIAMYFO-KRWDZBQOSA-N 1 3 356.514 3.053 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768826 505834202 /nfs/dbraw/zinc/83/42/02/505834202.db2.gz ABZZQTWWBKRDOT-HLIPFELVSA-N 1 3 360.523 3.161 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768826 505834205 /nfs/dbraw/zinc/83/42/05/505834205.db2.gz ABZZQTWWBKRDOT-HLIPFELVSA-N 1 3 360.523 3.161 20 0 FGADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@H]3CSCCN3)ccc21 ZINC000571878393 505836209 /nfs/dbraw/zinc/83/62/09/505836209.db2.gz WDUJOYLTFDIVCK-SFHVURJKSA-N 1 3 374.554 3.017 20 0 FGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccncc3OCCN(C)C)CC2)C1 ZINC000571886427 505837895 /nfs/dbraw/zinc/83/78/95/505837895.db2.gz UHTZETYFDFNDHR-RXVVDRJESA-N 1 3 374.573 3.155 20 0 FGADHO C[C@H](N[C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181348946 496362869 /nfs/dbraw/zinc/36/28/69/496362869.db2.gz XVGIDGCSTIRONA-BBTUJRGHSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@H](N[C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181348946 496362877 /nfs/dbraw/zinc/36/28/77/496362877.db2.gz XVGIDGCSTIRONA-BBTUJRGHSA-N 1 3 351.494 3.116 20 0 FGADHO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000162812729 496417161 /nfs/dbraw/zinc/41/71/61/496417161.db2.gz OOPWEFKEQGJZKG-BKNYKGDCSA-N 1 3 366.571 3.357 20 0 FGADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)CC1 ZINC000175588899 496453459 /nfs/dbraw/zinc/45/34/59/496453459.db2.gz PIAGCXQTBQDHSY-IBGZPJMESA-N 1 3 374.573 3.069 20 0 FGADHO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000184654856 496480554 /nfs/dbraw/zinc/48/05/54/496480554.db2.gz SUNVPILBESMJIK-QZTJIDSGSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCCCC1 ZINC000175701217 496507397 /nfs/dbraw/zinc/50/73/97/496507397.db2.gz MITIXIOWYZYODR-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CCc1cccc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000157632431 496519681 /nfs/dbraw/zinc/51/96/81/496519681.db2.gz NDDLCJSNQLDUDD-LJQANCHMSA-N 1 3 360.546 3.437 20 0 FGADHO CCc1cccc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000157632431 496519684 /nfs/dbraw/zinc/51/96/84/496519684.db2.gz NDDLCJSNQLDUDD-LJQANCHMSA-N 1 3 360.546 3.437 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056058 496536002 /nfs/dbraw/zinc/53/60/02/496536002.db2.gz RARLHVRUCOGHCB-FUHWJXTLSA-N 1 3 363.521 3.130 20 0 FGADHO NC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000178746035 496558531 /nfs/dbraw/zinc/55/85/31/496558531.db2.gz AXHVFABCBNGHCQ-JOCHJYFZSA-N 1 3 365.521 3.421 20 0 FGADHO COC[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187775694 496567492 /nfs/dbraw/zinc/56/74/92/496567492.db2.gz YAEOPWWISIIKLZ-QFIPXVFZSA-N 1 3 360.542 3.450 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000164549321 496617764 /nfs/dbraw/zinc/61/77/64/496617764.db2.gz LMKFPAKNWDYPEH-SFTDATJTSA-N 1 3 357.542 3.373 20 0 FGADHO C[C@H](N[C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182030977 496642238 /nfs/dbraw/zinc/64/22/38/496642238.db2.gz XVGIDGCSTIRONA-WFXMLNOXSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@H](N[C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182030977 496642244 /nfs/dbraw/zinc/64/22/44/496642244.db2.gz XVGIDGCSTIRONA-WFXMLNOXSA-N 1 3 351.494 3.116 20 0 FGADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165316508 496654905 /nfs/dbraw/zinc/65/49/05/496654905.db2.gz SBKKNZRJWOKNDH-DHIUTWEWSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@@H](Cc1ccccc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316508 496654906 /nfs/dbraw/zinc/65/49/06/496654906.db2.gz SBKKNZRJWOKNDH-DHIUTWEWSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165316508 496654909 /nfs/dbraw/zinc/65/49/09/496654909.db2.gz SBKKNZRJWOKNDH-DHIUTWEWSA-N 1 3 352.522 3.398 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162440 496678225 /nfs/dbraw/zinc/67/82/25/496678225.db2.gz WNSHKCDMMBVIEV-DLBZAZTESA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162440 496678226 /nfs/dbraw/zinc/67/82/26/496678226.db2.gz WNSHKCDMMBVIEV-DLBZAZTESA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000166162440 496678229 /nfs/dbraw/zinc/67/82/29/496678229.db2.gz WNSHKCDMMBVIEV-DLBZAZTESA-N 1 3 368.447 3.286 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415013 496683056 /nfs/dbraw/zinc/68/30/56/496683056.db2.gz YMWQKXTWOBPHPP-SJORKVTESA-N 1 3 364.559 3.011 20 0 FGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000166468872 496685856 /nfs/dbraw/zinc/68/58/56/496685856.db2.gz PPWQLQFANQZIBO-QFIPXVFZSA-N 1 3 365.521 3.454 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246989610 496744423 /nfs/dbraw/zinc/74/44/23/496744423.db2.gz JIMHTPSFMVLGGK-IIAWOOMASA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246989610 496744424 /nfs/dbraw/zinc/74/44/24/496744424.db2.gz JIMHTPSFMVLGGK-IIAWOOMASA-N 1 3 367.921 3.304 20 0 FGADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000277420388 496767942 /nfs/dbraw/zinc/76/79/42/496767942.db2.gz ANQAQQOMTWSZFU-GOSISDBHSA-N 1 3 366.509 3.075 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247084504 496775482 /nfs/dbraw/zinc/77/54/82/496775482.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247084504 496775485 /nfs/dbraw/zinc/77/54/85/496775485.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 1 3 372.557 3.060 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247112312 496782622 /nfs/dbraw/zinc/78/26/22/496782622.db2.gz TXKCOYHQEOPCTM-ZIFCJYIRSA-N 1 3 374.548 3.243 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247112300 496782917 /nfs/dbraw/zinc/78/29/17/496782917.db2.gz TXKCOYHQEOPCTM-AOIWGVFYSA-N 1 3 374.548 3.243 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513231 496792236 /nfs/dbraw/zinc/79/22/36/496792236.db2.gz OYSVGTXWGPGOPM-JOCHJYFZSA-N 1 3 358.574 3.306 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513231 496792242 /nfs/dbraw/zinc/79/22/42/496792242.db2.gz OYSVGTXWGPGOPM-JOCHJYFZSA-N 1 3 358.574 3.306 20 0 FGADHO CCCOc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OCCC ZINC000268950294 496831764 /nfs/dbraw/zinc/83/17/64/496831764.db2.gz CCPXIYFDJLHSJN-KRWDZBQOSA-N 1 3 364.530 3.372 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268950310 496832043 /nfs/dbraw/zinc/83/20/43/496832043.db2.gz CEGQKRWSERGPQJ-AWEZNQCLSA-N 1 3 371.344 3.032 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000191613611 496832898 /nfs/dbraw/zinc/83/28/98/496832898.db2.gz OXQKIYZHSANWIA-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000247355178 496842893 /nfs/dbraw/zinc/84/28/93/496842893.db2.gz PRQVPWASUYXNPC-TZIWHRDSSA-N 1 3 372.557 3.115 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000247355178 496842900 /nfs/dbraw/zinc/84/29/00/496842900.db2.gz PRQVPWASUYXNPC-TZIWHRDSSA-N 1 3 372.557 3.115 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCC[C@H]32)CC1 ZINC000247642948 496898141 /nfs/dbraw/zinc/89/81/41/496898141.db2.gz TXYRFDHEZQQASB-DENIHFKCSA-N 1 3 369.553 3.340 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926129 496929285 /nfs/dbraw/zinc/92/92/85/496929285.db2.gz BPTWMKNDWANJLQ-STQMWFEESA-N 1 3 361.349 3.398 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926129 496929287 /nfs/dbraw/zinc/92/92/87/496929287.db2.gz BPTWMKNDWANJLQ-STQMWFEESA-N 1 3 361.349 3.398 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000269511853 496962015 /nfs/dbraw/zinc/96/20/15/496962015.db2.gz OVLGTQQWVSRYGJ-JRGCBEDISA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000269511853 496962019 /nfs/dbraw/zinc/96/20/19/496962019.db2.gz OVLGTQQWVSRYGJ-JRGCBEDISA-N 1 3 351.494 3.103 20 0 FGADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405305 496998200 /nfs/dbraw/zinc/99/82/00/496998200.db2.gz REDGMXHISWQIRE-BHDDXSALSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405305 496998206 /nfs/dbraw/zinc/99/82/06/496998206.db2.gz REDGMXHISWQIRE-BHDDXSALSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405305 496998211 /nfs/dbraw/zinc/99/82/11/496998211.db2.gz REDGMXHISWQIRE-BHDDXSALSA-N 1 3 369.553 3.279 20 0 FGADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000192122550 497001897 /nfs/dbraw/zinc/00/18/97/497001897.db2.gz IYVFNRPZEKXMST-RBUKOAKNSA-N 1 3 353.510 3.178 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248456962 497017514 /nfs/dbraw/zinc/01/75/14/497017514.db2.gz SQRCCZXJMJQQMV-KSFYIVLOSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248456962 497017517 /nfs/dbraw/zinc/01/75/17/497017517.db2.gz SQRCCZXJMJQQMV-KSFYIVLOSA-N 1 3 367.493 3.062 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000248562908 497040594 /nfs/dbraw/zinc/04/05/94/497040594.db2.gz JZLOWUMBJZQOAY-MZKRTTBSSA-N 1 3 374.569 3.191 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722696 497087902 /nfs/dbraw/zinc/08/79/02/497087902.db2.gz MJQPIFTUYSZUNZ-PCPGVINSSA-N 1 3 352.522 3.444 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000248789075 497104499 /nfs/dbraw/zinc/10/44/99/497104499.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248789075 497104506 /nfs/dbraw/zinc/10/45/06/497104506.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CCOC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828305 497112683 /nfs/dbraw/zinc/11/26/83/497112683.db2.gz GTSPNQWSAKCTJB-YSTOQKLRSA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828305 497112687 /nfs/dbraw/zinc/11/26/87/497112687.db2.gz GTSPNQWSAKCTJB-YSTOQKLRSA-N 1 3 357.498 3.002 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)Cc3ccccc3)cc2)CC1 ZINC000236634291 497124332 /nfs/dbraw/zinc/12/43/32/497124332.db2.gz CLIAQARKMMHNPR-QFIPXVFZSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)CCN1Cc1ccccc1 ZINC000278472178 497126792 /nfs/dbraw/zinc/12/67/92/497126792.db2.gz JURMOCJZIAWDDK-TUNNFDKTSA-N 1 3 359.558 3.130 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)c1 ZINC000236923705 497168019 /nfs/dbraw/zinc/16/80/19/497168019.db2.gz UIADQSKOHIBMFS-DYESRHJHSA-N 1 3 353.510 3.481 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000189608375 497180921 /nfs/dbraw/zinc/18/09/21/497180921.db2.gz KFIXPMSECKSBOP-INIZCTEOSA-N 1 3 364.559 3.011 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265929440 497210359 /nfs/dbraw/zinc/21/03/59/497210359.db2.gz ADWSTCUWJCXTJQ-HXUWFJFHSA-N 1 3 355.526 3.230 20 0 FGADHO c1c(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762644 497212702 /nfs/dbraw/zinc/21/27/02/497212702.db2.gz OSTDVJUKCHHONA-OWZKRDHZSA-N 1 3 368.550 3.317 20 0 FGADHO c1c(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762644 497212709 /nfs/dbraw/zinc/21/27/09/497212709.db2.gz OSTDVJUKCHHONA-OWZKRDHZSA-N 1 3 368.550 3.317 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237599689 497261245 /nfs/dbraw/zinc/26/12/45/497261245.db2.gz OTOWIBJWGYMCCI-MOPGFXCFSA-N 1 3 357.542 3.101 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000189872832 497275638 /nfs/dbraw/zinc/27/56/38/497275638.db2.gz PYVQPXFXAMSZML-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H](N)c1ccccc1 ZINC000237727694 497283297 /nfs/dbraw/zinc/28/32/97/497283297.db2.gz JTZLVVMEKALCMW-IERDGZPVSA-N 1 3 364.493 3.478 20 0 FGADHO NC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000237810163 497295166 /nfs/dbraw/zinc/29/51/66/497295166.db2.gz JUQSEQMOBGOKMM-KBRMVUAJSA-N 1 3 363.505 3.041 20 0 FGADHO NC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000237810163 497295169 /nfs/dbraw/zinc/29/51/69/497295169.db2.gz JUQSEQMOBGOKMM-KBRMVUAJSA-N 1 3 363.505 3.041 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237925594 497315414 /nfs/dbraw/zinc/31/54/14/497315414.db2.gz OIBKEOMRGJSEPK-MSOLQXFVSA-N 1 3 357.523 3.481 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340239 /nfs/dbraw/zinc/34/02/39/497340239.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340247 /nfs/dbraw/zinc/34/02/47/497340247.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340251 /nfs/dbraw/zinc/34/02/51/497340251.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340259 /nfs/dbraw/zinc/34/02/59/497340259.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000238132937 497342565 /nfs/dbraw/zinc/34/25/65/497342565.db2.gz CGIKKURYBIUBLO-UHFFFAOYSA-N 1 3 369.553 3.423 20 0 FGADHO CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261677044 497432294 /nfs/dbraw/zinc/43/22/94/497432294.db2.gz BCOSEIXRQKQMIZ-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO CC[N@@H+]1CC[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000578293015 505906677 /nfs/dbraw/zinc/90/66/77/505906677.db2.gz JRLKUSGITWFVKD-BXUZGUMPSA-N 1 3 364.843 3.486 20 0 FGADHO CC[N@H+]1CC[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000578293015 505906681 /nfs/dbraw/zinc/90/66/81/505906681.db2.gz JRLKUSGITWFVKD-BXUZGUMPSA-N 1 3 364.843 3.486 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000245637786 497482693 /nfs/dbraw/zinc/48/26/93/497482693.db2.gz CMGSJLHOCPLNGI-WKCHPHFGSA-N 1 3 359.558 3.443 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245680579 497499905 /nfs/dbraw/zinc/49/99/05/497499905.db2.gz GKRMFKFRDVLNAP-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245680579 497499908 /nfs/dbraw/zinc/49/99/08/497499908.db2.gz GKRMFKFRDVLNAP-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO CCOC(CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)OCC ZINC000276192197 497517797 /nfs/dbraw/zinc/51/77/97/497517797.db2.gz IDNDDGAGFHORJL-UHFFFAOYSA-N 1 3 363.546 3.096 20 0 FGADHO CN1CCC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277935 497533080 /nfs/dbraw/zinc/53/30/80/497533080.db2.gz KDRXWUVVQJBRPN-GOEBONIOSA-N 1 3 354.420 3.027 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245877404 497557732 /nfs/dbraw/zinc/55/77/32/497557732.db2.gz IRZJVNOSULJCQF-HAGHYFMRSA-N 1 3 364.578 3.013 20 0 FGADHO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000262458492 497560278 /nfs/dbraw/zinc/56/02/78/497560278.db2.gz LUUAYWFOBGKIPM-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO [NH3+]CCCCCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000262635506 497588697 /nfs/dbraw/zinc/58/86/97/497588697.db2.gz HGEZMBAFQZLQED-UHFFFAOYSA-N 1 3 358.530 3.066 20 0 FGADHO COc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C ZINC000194172835 497593169 /nfs/dbraw/zinc/59/31/69/497593169.db2.gz VDNMQOOXMSLNIC-UHFFFAOYSA-N 1 3 354.494 3.250 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000268037488 497665185 /nfs/dbraw/zinc/66/51/85/497665185.db2.gz WWEYGNBJGSQPCN-YLJYHZDGSA-N 1 3 360.546 3.010 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC000263052678 497692704 /nfs/dbraw/zinc/69/27/04/497692704.db2.gz USGMWQBXBAMVBX-RDTXWAMCSA-N 1 3 353.894 3.127 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710507 497709024 /nfs/dbraw/zinc/70/90/24/497709024.db2.gz AVYUNXOSFWUDDC-HSZRJFAPSA-N 1 3 365.521 3.012 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272730832 497714509 /nfs/dbraw/zinc/71/45/09/497714509.db2.gz INJUFDADSDQUPT-NQIIRXRSSA-N 1 3 352.478 3.039 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272730832 497714513 /nfs/dbraw/zinc/71/45/13/497714513.db2.gz INJUFDADSDQUPT-NQIIRXRSSA-N 1 3 352.478 3.039 20 0 FGADHO CN(c1ccccc1C[NH2+]CCCc1nccs1)C1CCN(C)CC1 ZINC000268370943 497735187 /nfs/dbraw/zinc/73/51/87/497735187.db2.gz RRAXCNLONMUTQA-UHFFFAOYSA-N 1 3 358.555 3.396 20 0 FGADHO CC[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000263300235 497753359 /nfs/dbraw/zinc/75/33/59/497753359.db2.gz DASZNZAOKZFXOC-RTWAWAEBSA-N 1 3 351.494 3.030 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000246515112 497759539 /nfs/dbraw/zinc/75/95/39/497759539.db2.gz INKQQJSJXVOLSY-YNIZLOQISA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263372520 497770057 /nfs/dbraw/zinc/77/00/57/497770057.db2.gz YXQOGGWEODRCTO-UIFIKXQLSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263372520 497770060 /nfs/dbraw/zinc/77/00/60/497770060.db2.gz YXQOGGWEODRCTO-UIFIKXQLSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246910703 497819961 /nfs/dbraw/zinc/81/99/61/497819961.db2.gz FWNPXHASBVRQIM-KZNAEPCWSA-N 1 3 362.514 3.215 20 0 FGADHO C[NH+](C)CCOc1ccccc1-c1noc(C2CCN(C3CC3)CC2)n1 ZINC000289027927 497985279 /nfs/dbraw/zinc/98/52/79/497985279.db2.gz LHMOTYZUALWNKW-UHFFFAOYSA-N 1 3 356.470 3.019 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572464970 505975373 /nfs/dbraw/zinc/97/53/73/505975373.db2.gz VUPILOQFXCPOGK-HOTGVXAUSA-N 1 3 358.530 3.210 20 0 FGADHO CN1CCC(CC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292612600 498080442 /nfs/dbraw/zinc/08/04/42/498080442.db2.gz XMJQKJQHRHDGJN-NRFANRHFSA-N 1 3 357.542 3.137 20 0 FGADHO CN1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292612600 498080450 /nfs/dbraw/zinc/08/04/50/498080450.db2.gz XMJQKJQHRHDGJN-NRFANRHFSA-N 1 3 357.542 3.137 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000289464490 498156111 /nfs/dbraw/zinc/15/61/11/498156111.db2.gz OSXAOBOLODHXGT-UHFFFAOYSA-N 1 3 370.566 3.270 20 0 FGADHO CN1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158795 /nfs/dbraw/zinc/15/87/95/498158795.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 1 3 373.504 3.462 20 0 FGADHO CN1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158797 /nfs/dbraw/zinc/15/87/97/498158797.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 1 3 373.504 3.462 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285656526 498161522 /nfs/dbraw/zinc/16/15/22/498161522.db2.gz MNUJVWNTALSFAQ-MRXNPFEDSA-N 1 3 365.477 3.464 20 0 FGADHO COCCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC000281620851 498217053 /nfs/dbraw/zinc/21/70/53/498217053.db2.gz CCVWVAGWSBNHCN-HXUWFJFHSA-N 1 3 352.494 3.384 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1OC ZINC000286060137 498282184 /nfs/dbraw/zinc/28/21/84/498282184.db2.gz LIFSFSRSWSBLRN-IAGOWNOFSA-N 1 3 362.514 3.164 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCCN1CCN(C)CC1 ZINC000572639405 506018395 /nfs/dbraw/zinc/01/83/95/506018395.db2.gz FLOVMJALWSQJOT-NRFANRHFSA-N 1 3 354.542 3.471 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007358 498355092 /nfs/dbraw/zinc/35/50/92/498355092.db2.gz VRYQNRRKISXXSS-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569811161 506022025 /nfs/dbraw/zinc/02/20/25/506022025.db2.gz NUVDQCDXAHRXCR-DEVSCXNHSA-N 1 3 365.521 3.337 20 0 FGADHO C[C@@H](CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730576 498423499 /nfs/dbraw/zinc/42/34/99/498423499.db2.gz YMYJKHVFOZLKNP-AZUAARDMSA-N 1 3 357.542 3.041 20 0 FGADHO Cc1cc([C@H](C)NCCCOC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000282221484 498428852 /nfs/dbraw/zinc/42/88/52/498428852.db2.gz OXXPWBIEQVPHNF-IBGZPJMESA-N 1 3 370.541 3.450 20 0 FGADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440503 /nfs/dbraw/zinc/44/05/03/498440503.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 1 3 373.516 3.125 20 0 FGADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440508 /nfs/dbraw/zinc/44/05/08/498440508.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 1 3 373.516 3.125 20 0 FGADHO CCC[C@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000290280857 498494326 /nfs/dbraw/zinc/49/43/26/498494326.db2.gz ZAUDAOBWOVBYLE-QFIPXVFZSA-N 1 3 359.558 3.202 20 0 FGADHO CCC[C@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000290280857 498494333 /nfs/dbraw/zinc/49/43/33/498494333.db2.gz ZAUDAOBWOVBYLE-QFIPXVFZSA-N 1 3 359.558 3.202 20 0 FGADHO Cc1cc(N2CCC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587637 498544876 /nfs/dbraw/zinc/54/48/76/498544876.db2.gz QJCYJAODWRCACM-IBGZPJMESA-N 1 3 359.562 3.084 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587637 498544880 /nfs/dbraw/zinc/54/48/80/498544880.db2.gz QJCYJAODWRCACM-IBGZPJMESA-N 1 3 359.562 3.084 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000569940064 506052785 /nfs/dbraw/zinc/05/27/85/506052785.db2.gz UKQUGYUEYKITQK-GUYCJALGSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000569940064 506052788 /nfs/dbraw/zinc/05/27/88/506052788.db2.gz UKQUGYUEYKITQK-GUYCJALGSA-N 1 3 357.420 3.402 20 0 FGADHO Clc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc2c1OCCO2 ZINC000294081606 498582293 /nfs/dbraw/zinc/58/22/93/498582293.db2.gz AHOLXXZWBPAKIP-UHFFFAOYSA-N 1 3 359.857 3.265 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000576039220 506062038 /nfs/dbraw/zinc/06/20/38/506062038.db2.gz PGCVEHLSVZMQGJ-UHFFFAOYSA-N 1 3 366.594 3.404 20 0 FGADHO O=c1ccccn1C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298012765 498637949 /nfs/dbraw/zinc/63/79/49/498637949.db2.gz CMGSLYSCSQBIBP-QFIPXVFZSA-N 1 3 374.488 3.243 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303505554 498683681 /nfs/dbraw/zinc/68/36/81/498683681.db2.gz AZOJUXMUPBCFNU-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303505554 498683685 /nfs/dbraw/zinc/68/36/85/498683685.db2.gz AZOJUXMUPBCFNU-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000365894341 498688360 /nfs/dbraw/zinc/68/83/60/498688360.db2.gz JKMWLIQVHHXKHO-KRWDZBQOSA-N 1 3 366.509 3.099 20 0 FGADHO C[C@H](O)c1cnc(CNCC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000366024598 498740064 /nfs/dbraw/zinc/74/00/64/498740064.db2.gz SHKITACAQSZEHK-AWEZNQCLSA-N 1 3 363.502 3.337 20 0 FGADHO C/C(=C/c1ccccc1)CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000579058224 506083732 /nfs/dbraw/zinc/08/37/32/506083732.db2.gz XWIXGYKNNHLCQT-ZZEZOPTASA-N 1 3 369.553 3.404 20 0 FGADHO C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CN1CCCC1 ZINC000320702072 498809755 /nfs/dbraw/zinc/80/97/55/498809755.db2.gz INZRMFZPCWVRKN-UONOGXRCSA-N 1 3 361.313 3.055 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298578592 498819641 /nfs/dbraw/zinc/81/96/41/498819641.db2.gz XPHZMNJECPCIDA-UYAOXDASSA-N 1 3 361.436 3.430 20 0 FGADHO OC1(C[NH2+]CC2Cc3ccccc3C2)CCN(Cc2ccccc2)CC1 ZINC000570144372 506100963 /nfs/dbraw/zinc/10/09/63/506100963.db2.gz XPMBPIRBYBKDDM-UHFFFAOYSA-N 1 3 350.506 3.018 20 0 FGADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(-c2ccccc2)cc1 ZINC000570201897 506114435 /nfs/dbraw/zinc/11/44/35/506114435.db2.gz MNZMQNDXUALKPX-QFIPXVFZSA-N 1 3 366.505 3.310 20 0 FGADHO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000573093848 506117511 /nfs/dbraw/zinc/11/75/11/506117511.db2.gz UNDUHXMDFVJXKM-BDTNDASRSA-N 1 3 369.553 3.074 20 0 FGADHO Cc1cnccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000295253818 498956479 /nfs/dbraw/zinc/95/64/79/498956479.db2.gz ULZQXGATRQZJBS-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO Cc1cnccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000295253818 498956484 /nfs/dbraw/zinc/95/64/84/498956484.db2.gz ULZQXGATRQZJBS-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CCC2 ZINC000363754341 498976760 /nfs/dbraw/zinc/97/67/60/498976760.db2.gz BNTIMAJVLJUHHD-IEBWSBKVSA-N 1 3 356.514 3.360 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000576308730 506126530 /nfs/dbraw/zinc/12/65/30/506126530.db2.gz AUWWWNIXCSSTSC-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000576308730 506126533 /nfs/dbraw/zinc/12/65/33/506126533.db2.gz AUWWWNIXCSSTSC-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834616 499017645 /nfs/dbraw/zinc/01/76/45/499017645.db2.gz RUPCZKXBXXRPKC-LCLWPZTBSA-N 1 3 374.525 3.388 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834616 499017648 /nfs/dbraw/zinc/01/76/48/499017648.db2.gz RUPCZKXBXXRPKC-LCLWPZTBSA-N 1 3 374.525 3.388 20 0 FGADHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000366957104 499122089 /nfs/dbraw/zinc/12/20/89/499122089.db2.gz YTPSRPCBBRLXIJ-UHFFFAOYSA-N 1 3 372.509 3.318 20 0 FGADHO CN1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328711 506132093 /nfs/dbraw/zinc/13/20/93/506132093.db2.gz CTZNHRGHTSGRCR-QAPCUYQASA-N 1 3 358.511 3.411 20 0 FGADHO COc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1O ZINC000367438486 499199023 /nfs/dbraw/zinc/19/90/23/499199023.db2.gz NGCZFODONAYIFR-UHFFFAOYSA-N 1 3 356.466 3.164 20 0 FGADHO COc1ccccc1C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C(C)C ZINC000370636627 499238292 /nfs/dbraw/zinc/23/82/92/499238292.db2.gz RYNPMPWUUOZXOZ-CTNGQTDRSA-N 1 3 359.558 3.020 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644795 499239246 /nfs/dbraw/zinc/23/92/46/499239246.db2.gz GXQKICRABDFMPJ-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644795 499239248 /nfs/dbraw/zinc/23/92/48/499239248.db2.gz GXQKICRABDFMPJ-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO CN(CC(=O)Nc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885039 499241504 /nfs/dbraw/zinc/24/15/04/499241504.db2.gz JIULSYUFSOZPLO-UHFFFAOYSA-N 1 3 356.445 3.008 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370695619 499245099 /nfs/dbraw/zinc/24/50/99/499245099.db2.gz BUIDNBHTHKQNMC-XXBNENTESA-N 1 3 364.537 3.206 20 0 FGADHO [NH3+]Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000370764424 499252429 /nfs/dbraw/zinc/25/24/29/499252429.db2.gz ZRKTWFIUMCPSJW-HSZRJFAPSA-N 1 3 363.505 3.274 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100537 499264259 /nfs/dbraw/zinc/26/42/59/499264259.db2.gz HTOVSMOKMIGGOL-QAPCUYQASA-N 1 3 356.514 3.468 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370908657 499269840 /nfs/dbraw/zinc/26/98/40/499269840.db2.gz GVOZCXFOMFVAOT-IBGZPJMESA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370908657 499269842 /nfs/dbraw/zinc/26/98/42/499269842.db2.gz GVOZCXFOMFVAOT-IBGZPJMESA-N 1 3 369.553 3.374 20 0 FGADHO Brc1cnn(CCCC[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000368444246 499296706 /nfs/dbraw/zinc/29/67/06/499296706.db2.gz YKAFOKPZJUEQSN-UHFFFAOYSA-N 1 3 369.351 3.422 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@]3(C)CCN(Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530690 499305129 /nfs/dbraw/zinc/30/51/29/499305129.db2.gz OVYIQQFCHPIJHG-FQEVSTJZSA-N 1 3 369.538 3.409 20 0 FGADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000371724970 499359096 /nfs/dbraw/zinc/35/90/96/499359096.db2.gz BUZDFPKQBUABHS-LJQANCHMSA-N 1 3 371.456 3.329 20 0 FGADHO Cc1ccc(NC(=O)N2CCCC23CCN(C)CC3)c(OCC[NH+](C)C)c1 ZINC000372442533 499435330 /nfs/dbraw/zinc/43/53/30/499435330.db2.gz RFIOUIFINHPYOH-UHFFFAOYSA-N 1 3 374.529 3.028 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448435 499470451 /nfs/dbraw/zinc/47/04/51/499470451.db2.gz LEUAFKXRJNTWNL-SXLOBPIMSA-N 1 3 368.500 3.300 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448435 499470452 /nfs/dbraw/zinc/47/04/52/499470452.db2.gz LEUAFKXRJNTWNL-SXLOBPIMSA-N 1 3 368.500 3.300 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202846 499490068 /nfs/dbraw/zinc/49/00/68/499490068.db2.gz OYCRDJZPLQDEER-IBGZPJMESA-N 1 3 357.542 3.055 20 0 FGADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490303 499523464 /nfs/dbraw/zinc/52/34/64/499523464.db2.gz DKZLRKBMFZJVCE-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490303 499523466 /nfs/dbraw/zinc/52/34/66/499523466.db2.gz DKZLRKBMFZJVCE-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO CC(=O)N1CC[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc2C1 ZINC000378499133 499524629 /nfs/dbraw/zinc/52/46/29/499524629.db2.gz RUBGZIMBSQNWDT-JOCHJYFZSA-N 1 3 351.494 3.331 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632558 499542055 /nfs/dbraw/zinc/54/20/55/499542055.db2.gz SQKUUAPJMAPZHL-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632558 499542057 /nfs/dbraw/zinc/54/20/57/499542057.db2.gz SQKUUAPJMAPZHL-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000573238945 506151208 /nfs/dbraw/zinc/15/12/08/506151208.db2.gz FKDCPXWUBQWAGX-AVRDEDQJSA-N 1 3 366.505 3.333 20 0 FGADHO COc1ccc2cc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246761 499673722 /nfs/dbraw/zinc/67/37/22/499673722.db2.gz WIYXZDRHLZFZMI-FDDCHVKYSA-N 1 3 367.537 3.306 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365255 499730013 /nfs/dbraw/zinc/73/00/13/499730013.db2.gz BZYRITYPRLCJBM-QFIPXVFZSA-N 1 3 357.542 3.497 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC000411398918 499734545 /nfs/dbraw/zinc/73/45/45/499734545.db2.gz PWOYHZFAZKZMBH-XFFZJAGNSA-N 1 3 369.553 3.404 20 0 FGADHO c1cn(C[C@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399969 499734776 /nfs/dbraw/zinc/73/47/76/499734776.db2.gz SMYUFQZUICBMTE-NRFANRHFSA-N 1 3 353.514 3.176 20 0 FGADHO c1ncn(CC2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411564256 499763672 /nfs/dbraw/zinc/76/36/72/499763672.db2.gz FGSDDJGMRSJNID-UHFFFAOYSA-N 1 3 353.514 3.176 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000414187331 499766987 /nfs/dbraw/zinc/76/69/87/499766987.db2.gz IHVSBYRFTLADMX-LJQANCHMSA-N 1 3 371.569 3.013 20 0 FGADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)cc1 ZINC000414196294 499767887 /nfs/dbraw/zinc/76/78/87/499767887.db2.gz ONJBMMGFERYJQD-LJQANCHMSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655506 499773707 /nfs/dbraw/zinc/77/37/07/499773707.db2.gz KPSFNMKHGCJNJQ-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414320202 499777435 /nfs/dbraw/zinc/77/74/35/499777435.db2.gz BLIDZXCKBPEDSV-HXUWFJFHSA-N 1 3 357.542 3.442 20 0 FGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414342940 499779280 /nfs/dbraw/zinc/77/92/80/499779280.db2.gz PVFIZMNKHWAHLG-WOJBJXKFSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756646 499787022 /nfs/dbraw/zinc/78/70/22/499787022.db2.gz KECQLHCGISNHHG-XMSQKQJNSA-N 1 3 365.521 3.420 20 0 FGADHO OC[C@]1([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775498 499789330 /nfs/dbraw/zinc/78/93/30/499789330.db2.gz XXUOURLXODRYAV-VXKWHMMOSA-N 1 3 358.526 3.082 20 0 FGADHO C[C@@H]1C[C@H](CN2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747865 499826155 /nfs/dbraw/zinc/82/61/55/499826155.db2.gz NIFYZVBFJKASFH-CPUCHLNUSA-N 1 3 353.304 3.211 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412177760 499831165 /nfs/dbraw/zinc/83/11/65/499831165.db2.gz MCPUJUMZTAOZBR-RTWAWAEBSA-N 1 3 355.526 3.371 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412177760 499831167 /nfs/dbraw/zinc/83/11/67/499831167.db2.gz MCPUJUMZTAOZBR-RTWAWAEBSA-N 1 3 355.526 3.371 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Br)c(Br)c1 ZINC000414795715 499832185 /nfs/dbraw/zinc/83/21/85/499832185.db2.gz HAAKFNVPLQQYAN-GWCFXTLKSA-N 1 3 362.109 3.429 20 0 FGADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414817304 499834112 /nfs/dbraw/zinc/83/41/12/499834112.db2.gz ANFBWZKQLKCCAW-UWVGGRQHSA-N 1 3 351.800 3.403 20 0 FGADHO Cn1cc(CNCCC[NH2+]Cc2cccnc2)c(-c2ccccc2Cl)n1 ZINC000414877133 499840354 /nfs/dbraw/zinc/84/03/54/499840354.db2.gz LLYQETXJLTYWMI-UHFFFAOYSA-N 1 3 369.900 3.405 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412343321 499846806 /nfs/dbraw/zinc/84/68/06/499846806.db2.gz ICFYJNSDYSLXPR-NQIIRXRSSA-N 1 3 355.526 3.371 20 0 FGADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414986904 499851863 /nfs/dbraw/zinc/85/18/63/499851863.db2.gz CVGYYJHAGRLMCJ-VXGBXAGGSA-N 1 3 357.292 3.073 20 0 FGADHO CCCOc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130283 499867721 /nfs/dbraw/zinc/86/77/21/499867721.db2.gz WSJVIPKRMISRAC-UYAOXDASSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415306771 499885055 /nfs/dbraw/zinc/88/50/55/499885055.db2.gz IIYFMSSAWRFNJC-KRWDZBQOSA-N 1 3 362.518 3.190 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415580769 499903712 /nfs/dbraw/zinc/90/37/12/499903712.db2.gz RRICSBJMJFGCPO-IBGZPJMESA-N 1 3 358.530 3.033 20 0 FGADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC000415884677 499924352 /nfs/dbraw/zinc/92/43/52/499924352.db2.gz QNTARFOSRMVTHE-KRWDZBQOSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000415884677 499924353 /nfs/dbraw/zinc/92/43/53/499924353.db2.gz QNTARFOSRMVTHE-KRWDZBQOSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000415899132 499925751 /nfs/dbraw/zinc/92/57/51/499925751.db2.gz JATZQHMUTHAVDL-APWZRJJASA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000415922840 499928748 /nfs/dbraw/zinc/92/87/48/499928748.db2.gz UXVNTOFFUQHROS-UHFFFAOYSA-N 1 3 354.498 3.310 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935986 499930564 /nfs/dbraw/zinc/93/05/64/499930564.db2.gz UTIPISIIULLJFF-JXFKEZNVSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000415942215 499931224 /nfs/dbraw/zinc/93/12/24/499931224.db2.gz IRMNUNWPLVADFA-OXJNMPFZSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000415977822 499936493 /nfs/dbraw/zinc/93/64/93/499936493.db2.gz YVQPQZOHWWKLHI-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000415987094 499937697 /nfs/dbraw/zinc/93/76/97/499937697.db2.gz WQRUMHFGNXSHPW-GOSISDBHSA-N 1 3 360.889 3.484 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000415989990 499938421 /nfs/dbraw/zinc/93/84/21/499938421.db2.gz MOXUNQWVUAGDJE-UHFFFAOYSA-N 1 3 352.482 3.192 20 0 FGADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992931 /nfs/dbraw/zinc/99/29/31/499992931.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 1 3 366.505 3.121 20 0 FGADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992934 /nfs/dbraw/zinc/99/29/34/499992934.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 1 3 366.505 3.121 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202172 500003970 /nfs/dbraw/zinc/00/39/70/500003970.db2.gz ZGFLVNHSQOTQAI-UTKZUKDTSA-N 1 3 368.525 3.261 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318974 500039044 /nfs/dbraw/zinc/03/90/44/500039044.db2.gz ZYAMTVQJOBSTKO-ZYSHUDEJSA-N 1 3 371.550 3.321 20 0 FGADHO COCC(C)(C)N1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000425347878 500080686 /nfs/dbraw/zinc/08/06/86/500080686.db2.gz IQGZLFPRJSQJKP-UHFFFAOYSA-N 1 3 361.574 3.187 20 0 FGADHO COCC(C)(C)N1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000425347878 500080688 /nfs/dbraw/zinc/08/06/88/500080688.db2.gz IQGZLFPRJSQJKP-UHFFFAOYSA-N 1 3 361.574 3.187 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000429522624 500092926 /nfs/dbraw/zinc/09/29/26/500092926.db2.gz PVCMHJACPZFDRM-JXFKEZNVSA-N 1 3 369.484 3.374 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000416845412 500137156 /nfs/dbraw/zinc/13/71/56/500137156.db2.gz RRZCPDNDIFNFKP-NHCUHLMSSA-N 1 3 366.509 3.040 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849251 500137905 /nfs/dbraw/zinc/13/79/05/500137905.db2.gz XRABOTVTYAYCIL-LEWJYISDSA-N 1 3 372.557 3.101 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000417704750 500153196 /nfs/dbraw/zinc/15/31/96/500153196.db2.gz MOYLZUWGBNLRLR-KRWDZBQOSA-N 1 3 360.546 3.147 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822667 500159499 /nfs/dbraw/zinc/15/94/99/500159499.db2.gz XQMYAXVIHNLZHF-OXQOHEQNSA-N 1 3 351.510 3.147 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822665 500159615 /nfs/dbraw/zinc/15/96/15/500159615.db2.gz XQMYAXVIHNLZHF-JXFKEZNVSA-N 1 3 351.510 3.147 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000576529682 506180131 /nfs/dbraw/zinc/18/01/31/506180131.db2.gz PYQXMLYAULEFIP-IMJJTQAJSA-N 1 3 352.320 3.135 20 0 FGADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000421828811 500161347 /nfs/dbraw/zinc/16/13/47/500161347.db2.gz FKCRMMGGJXKTRK-GOSISDBHSA-N 1 3 360.542 3.471 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000576529681 506179677 /nfs/dbraw/zinc/17/96/77/506179677.db2.gz PYQXMLYAULEFIP-FVQBIDKESA-N 1 3 352.320 3.135 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826346 500180098 /nfs/dbraw/zinc/18/00/98/500180098.db2.gz CECLRQHSPDETAW-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCCC(=O)Nc2cccnc2)C1 ZINC000579464546 506181384 /nfs/dbraw/zinc/18/13/84/506181384.db2.gz YRAXHOXIVRVYLU-SFHVURJKSA-N 1 3 366.509 3.432 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCCC(=O)Nc2cccnc2)C1 ZINC000579464546 506181387 /nfs/dbraw/zinc/18/13/87/506181387.db2.gz YRAXHOXIVRVYLU-SFHVURJKSA-N 1 3 366.509 3.432 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418148686 500237500 /nfs/dbraw/zinc/23/75/00/500237500.db2.gz ACQUOAWRGBBRAP-SXLOBPIMSA-N 1 3 372.557 3.198 20 0 FGADHO CCCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC[NH2+]CC1 ZINC000418162183 500239751 /nfs/dbraw/zinc/23/97/51/500239751.db2.gz CGCSIVMQPSCXEZ-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418196578 500247985 /nfs/dbraw/zinc/24/79/85/500247985.db2.gz RJSPAZGPIOYBBN-SOAGJPPSSA-N 1 3 360.546 3.057 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N(CC)CC)cc1 ZINC000418209274 500249779 /nfs/dbraw/zinc/24/97/79/500249779.db2.gz FDHASNXSBJFNRC-MHJFOBGBSA-N 1 3 360.546 3.201 20 0 FGADHO NC[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000418218153 500251006 /nfs/dbraw/zinc/25/10/06/500251006.db2.gz OIOQUXGJCANAGC-OAQYLSRUSA-N 1 3 368.525 3.405 20 0 FGADHO CC[NH2+]CC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000430592322 500259911 /nfs/dbraw/zinc/25/99/11/500259911.db2.gz QDXHEIOHXRXKAD-UHFFFAOYSA-N 1 3 363.521 3.274 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418362041 500268199 /nfs/dbraw/zinc/26/81/99/500268199.db2.gz UVSHNKXEAPKYBX-WOJBJXKFSA-N 1 3 358.530 3.080 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000418365499 500268739 /nfs/dbraw/zinc/26/87/39/500268739.db2.gz XVMGETTVEHYUCR-WOJBJXKFSA-N 1 3 358.530 3.080 20 0 FGADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418425230 500274593 /nfs/dbraw/zinc/27/45/93/500274593.db2.gz JEWQVWHNYQHHAO-HOJAQTOUSA-N 1 3 360.546 3.227 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418427862 500275440 /nfs/dbraw/zinc/27/54/40/500275440.db2.gz OHENAQLYYLGELV-NJYVYQBISA-N 1 3 372.557 3.058 20 0 FGADHO CN1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763893 500281620 /nfs/dbraw/zinc/28/16/20/500281620.db2.gz BPZGWIWCZUQAHB-GDBMZVCRSA-N 1 3 371.447 3.189 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C[C@H]1C ZINC000418482518 500281890 /nfs/dbraw/zinc/28/18/90/500281890.db2.gz FBTWXGLEMKFHDN-TYCQWZJGSA-N 1 3 368.525 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C[C@H]1C ZINC000418482518 500281892 /nfs/dbraw/zinc/28/18/92/500281892.db2.gz FBTWXGLEMKFHDN-TYCQWZJGSA-N 1 3 368.525 3.354 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418483101 500282183 /nfs/dbraw/zinc/28/21/83/500282183.db2.gz FLULSWAGKGKPNI-IIBYNOLFSA-N 1 3 368.525 3.211 20 0 FGADHO CN(C)CCN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000418486111 500282474 /nfs/dbraw/zinc/28/24/74/500282474.db2.gz ITCGSJRDAWDQTQ-OAQYLSRUSA-N 1 3 368.525 3.355 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418497840 500284437 /nfs/dbraw/zinc/28/44/37/500284437.db2.gz IJNOQHYVUAGRLZ-OAQYLSRUSA-N 1 3 368.525 3.355 20 0 FGADHO NC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000418501311 500284948 /nfs/dbraw/zinc/28/49/48/500284948.db2.gz QRHATYXPLPLAFA-OAQYLSRUSA-N 1 3 366.509 3.109 20 0 FGADHO FC(F)(F)c1cccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422699642 500286839 /nfs/dbraw/zinc/28/68/39/500286839.db2.gz AVOKGQHCCVIJSS-OKZBNKHCSA-N 1 3 356.432 3.385 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704324 500287979 /nfs/dbraw/zinc/28/79/79/500287979.db2.gz KJHVUYVLJREENO-BBRMVZONSA-N 1 3 373.360 3.278 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711477 500288396 /nfs/dbraw/zinc/28/83/96/500288396.db2.gz MSMIXQCURJUGGK-LZWOXQAQSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711477 500288397 /nfs/dbraw/zinc/28/83/97/500288397.db2.gz MSMIXQCURJUGGK-LZWOXQAQSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737321 500292534 /nfs/dbraw/zinc/29/25/34/500292534.db2.gz XHSDADFALMGBJD-QUCCMNQESA-N 1 3 367.497 3.010 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745630 500293222 /nfs/dbraw/zinc/29/32/22/500293222.db2.gz MPXOICSOSCCVLY-KCLUMXDGSA-N 1 3 357.542 3.342 20 0 FGADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422743347 500293226 /nfs/dbraw/zinc/29/32/26/500293226.db2.gz UBPAPGRENJYHNS-YSIASYRMSA-N 1 3 358.526 3.254 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745632 500293370 /nfs/dbraw/zinc/29/33/70/500293370.db2.gz MPXOICSOSCCVLY-WJMWBRGCSA-N 1 3 357.542 3.342 20 0 FGADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000430850360 500296419 /nfs/dbraw/zinc/29/64/19/500296419.db2.gz KJPSDJSXYGKSMK-NJYVYQBISA-N 1 3 373.541 3.246 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797885 500299259 /nfs/dbraw/zinc/29/92/59/500299259.db2.gz OWSLNFNJBYVTBP-QABNGEJJSA-N 1 3 354.897 3.140 20 0 FGADHO NC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000430873806 500299594 /nfs/dbraw/zinc/29/95/94/500299594.db2.gz XCOMHNSGLAEFFG-UHFFFAOYSA-N 1 3 372.513 3.101 20 0 FGADHO CC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCc2ccccc2C1 ZINC000422813412 500301520 /nfs/dbraw/zinc/30/15/20/500301520.db2.gz YCQCLGHTELJRDY-NMNUPHIUSA-N 1 3 351.538 3.371 20 0 FGADHO CC[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422813412 500301522 /nfs/dbraw/zinc/30/15/22/500301522.db2.gz YCQCLGHTELJRDY-NMNUPHIUSA-N 1 3 351.538 3.371 20 0 FGADHO Fc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818759 500302034 /nfs/dbraw/zinc/30/20/34/500302034.db2.gz LEOCPZCPXWKLKW-XLIONFOSSA-N 1 3 360.404 3.189 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000418670294 500305064 /nfs/dbraw/zinc/30/50/64/500305064.db2.gz KGXADXQJRKTYRS-NRFANRHFSA-N 1 3 372.557 3.374 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418673185 500305701 /nfs/dbraw/zinc/30/57/01/500305701.db2.gz NHGAIPFNUQYCBH-LJQANCHMSA-N 1 3 374.554 3.302 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430913012 500305935 /nfs/dbraw/zinc/30/59/35/500305935.db2.gz QJSMMVOIEKSSEG-UHFFFAOYSA-N 1 3 360.452 3.343 20 0 FGADHO COc1cc(Br)c(CN2CCC3(CC[NH2+]C3)CC2)c(OC)c1 ZINC000430911870 500306121 /nfs/dbraw/zinc/30/61/21/500306121.db2.gz DSQCRFJTQUHVAR-UHFFFAOYSA-N 1 3 369.303 3.042 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869796 500308146 /nfs/dbraw/zinc/30/81/46/500308146.db2.gz APUIULLKPGTODI-HMXCVIKNSA-N 1 3 357.542 3.121 20 0 FGADHO C[C@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418693165 500308557 /nfs/dbraw/zinc/30/85/57/500308557.db2.gz STAWUKLPRRSZEQ-LJQANCHMSA-N 1 3 372.557 3.344 20 0 FGADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885238 500310951 /nfs/dbraw/zinc/31/09/51/500310951.db2.gz GOHBUSBNDFSGSE-BHIYHBOVSA-N 1 3 362.514 3.155 20 0 FGADHO CCN1CCN(Cc2ccccc2CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422893942 500312474 /nfs/dbraw/zinc/31/24/74/500312474.db2.gz RPWISIMYJYNNSB-XZOQPEGZSA-N 1 3 364.537 3.059 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899854 500313089 /nfs/dbraw/zinc/31/30/89/500313089.db2.gz PILJAQRVMPXMCS-RVKKMQEKSA-N 1 3 366.347 3.383 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@H]2CN)CCOCC1 ZINC000422899205 500313208 /nfs/dbraw/zinc/31/32/08/500313208.db2.gz GZSOTUPDLCEVGR-YOEHRIQHSA-N 1 3 352.906 3.114 20 0 FGADHO C[C@H](NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903518 500313882 /nfs/dbraw/zinc/31/38/82/500313882.db2.gz WHPITGQNKUDPSX-MPGHIAIKSA-N 1 3 366.347 3.396 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)C2)c1 ZINC000422906239 500314592 /nfs/dbraw/zinc/31/45/92/500314592.db2.gz UTTXETXBJVOVIL-HLRQEUIKSA-N 1 3 357.542 3.422 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917599 500316032 /nfs/dbraw/zinc/31/60/32/500316032.db2.gz GNDBLIOLZXVXIG-GXFFZTMASA-N 1 3 351.800 3.240 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915285 500316337 /nfs/dbraw/zinc/31/63/37/500316337.db2.gz APVCFNKVJAVHQE-YPAWHYETSA-N 1 3 356.558 3.157 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000422933133 500319073 /nfs/dbraw/zinc/31/90/73/500319073.db2.gz HDGFKWPELDLZBY-MSOLQXFVSA-N 1 3 369.509 3.270 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc2)cc1 ZINC000422933133 500319075 /nfs/dbraw/zinc/31/90/75/500319075.db2.gz HDGFKWPELDLZBY-MSOLQXFVSA-N 1 3 369.509 3.270 20 0 FGADHO C[C@H](NC1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000422935836 500319784 /nfs/dbraw/zinc/31/97/84/500319784.db2.gz DYJZASKGLLKPQD-HIFPTAJRSA-N 1 3 369.303 3.388 20 0 FGADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Sc1ccc(Br)cc1 ZINC000422952504 500322320 /nfs/dbraw/zinc/32/23/20/500322320.db2.gz COKRJHQXRQOYOW-GUYJKWIASA-N 1 3 373.360 3.272 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)Sc1ccc(Br)cc1 ZINC000422952504 500322322 /nfs/dbraw/zinc/32/23/22/500322322.db2.gz COKRJHQXRQOYOW-GUYJKWIASA-N 1 3 373.360 3.272 20 0 FGADHO OCC1CCN(Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422984164 500327196 /nfs/dbraw/zinc/32/71/96/500327196.db2.gz XFHKTSNMBQLAKE-BHIFYINESA-N 1 3 357.542 3.224 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020647 500331505 /nfs/dbraw/zinc/33/15/05/500331505.db2.gz CJWSQNKIUGJLCY-MTNREXPMSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cccc(OCc2ccccc2)c1 ZINC000423020647 500331508 /nfs/dbraw/zinc/33/15/08/500331508.db2.gz CJWSQNKIUGJLCY-MTNREXPMSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020645 500331890 /nfs/dbraw/zinc/33/18/90/500331890.db2.gz CJWSQNKIUGJLCY-BULFRSBZSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cccc(OCc2ccccc2)c1 ZINC000423020645 500331893 /nfs/dbraw/zinc/33/18/93/500331893.db2.gz CJWSQNKIUGJLCY-BULFRSBZSA-N 1 3 354.494 3.150 20 0 FGADHO CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)c1ccc(OC)c(OC)c1 ZINC000423044382 500334199 /nfs/dbraw/zinc/33/41/99/500334199.db2.gz BDKQDMKAYBYVBZ-KBAYOESNSA-N 1 3 364.530 3.104 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423045058 500334269 /nfs/dbraw/zinc/33/42/69/500334269.db2.gz BHILSLLOLIJPSQ-BZUAXINKSA-N 1 3 357.420 3.076 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423046878 500335091 /nfs/dbraw/zinc/33/50/91/500335091.db2.gz FHKDUAYEYZQJSV-GVDBMIGSSA-N 1 3 371.447 3.466 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423078486 500339040 /nfs/dbraw/zinc/33/90/40/500339040.db2.gz OPDZYFZSYJVQAJ-RHSMWYFYSA-N 1 3 367.415 3.417 20 0 FGADHO O[C@@H]1CCC[C@]1(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079390 500339280 /nfs/dbraw/zinc/33/92/80/500339280.db2.gz YFYGQZDNNVJACJ-VNXMGFANSA-N 1 3 360.517 3.410 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCN1 ZINC000423088124 500340698 /nfs/dbraw/zinc/34/06/98/500340698.db2.gz PNJLRGIHNRJWFG-FRFSOERESA-N 1 3 352.320 3.148 20 0 FGADHO Fc1ccc(C2CC(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094846 500341172 /nfs/dbraw/zinc/34/11/72/500341172.db2.gz CVEGNNYWDQDTNX-KEDMZRARSA-N 1 3 352.881 3.472 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423121327 500345404 /nfs/dbraw/zinc/34/54/04/500345404.db2.gz AUOJZCIWCMSVCD-PVMRSWARSA-N 1 3 358.457 3.292 20 0 FGADHO FC(F)(F)[C@H](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140731 500348060 /nfs/dbraw/zinc/34/80/60/500348060.db2.gz ZJWLQIJQDYDNAJ-BRSBDYLESA-N 1 3 356.432 3.469 20 0 FGADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@@H](C)CCCC[NH3+])CC1 ZINC000423158034 500349786 /nfs/dbraw/zinc/34/97/86/500349786.db2.gz NPWVAWMRWYAGDG-KRWDZBQOSA-N 1 3 360.498 3.032 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162966 500350022 /nfs/dbraw/zinc/35/00/22/500350022.db2.gz LXYNMOWWSOGCTE-KJXAQDMKSA-N 1 3 366.505 3.052 20 0 FGADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423174896 500351252 /nfs/dbraw/zinc/35/12/52/500351252.db2.gz CYPVFIYHEVEHBY-FHLIZLRMSA-N 1 3 350.453 3.133 20 0 FGADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423174897 500351363 /nfs/dbraw/zinc/35/13/63/500351363.db2.gz CYPVFIYHEVEHBY-JCGIZDLHSA-N 1 3 350.453 3.133 20 0 FGADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423191814 500353558 /nfs/dbraw/zinc/35/35/58/500353558.db2.gz UDMCZLFJFIRNOX-INIZCTEOSA-N 1 3 367.497 3.196 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000431281416 500358673 /nfs/dbraw/zinc/35/86/73/500358673.db2.gz FNMQVXGKHMAONW-YYWHXJBOSA-N 1 3 374.573 3.414 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000431281416 500358677 /nfs/dbraw/zinc/35/86/77/500358677.db2.gz FNMQVXGKHMAONW-YYWHXJBOSA-N 1 3 374.573 3.414 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000423281324 500361175 /nfs/dbraw/zinc/36/11/75/500361175.db2.gz UGRYNTBLURFXTM-OTYXRUKQSA-N 1 3 363.811 3.403 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423378226 500368773 /nfs/dbraw/zinc/36/87/73/500368773.db2.gz WGKJKROMOWUVFW-WQVCFCJDSA-N 1 3 372.294 3.472 20 0 FGADHO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000423500020 500379248 /nfs/dbraw/zinc/37/92/48/500379248.db2.gz CNTLLUGGCOAWEL-VOQZNFBZSA-N 1 3 353.510 3.033 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CC2 ZINC000423574226 500386050 /nfs/dbraw/zinc/38/60/50/500386050.db2.gz PCFFVHUFOYYXEZ-QFIPXVFZSA-N 1 3 365.521 3.266 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957640 500424307 /nfs/dbraw/zinc/42/43/07/500424307.db2.gz AULNIBMPEGENIA-CTNGQTDRSA-N 1 3 355.526 3.275 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845265 500433423 /nfs/dbraw/zinc/43/34/23/500433423.db2.gz NSWJGPIARHQCKU-CEWLAPEOSA-N 1 3 355.526 3.155 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845265 500433425 /nfs/dbraw/zinc/43/34/25/500433425.db2.gz NSWJGPIARHQCKU-CEWLAPEOSA-N 1 3 355.526 3.155 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299948 500436581 /nfs/dbraw/zinc/43/65/81/500436581.db2.gz BYHRAXCUBGWFPG-KNXALSJPSA-N 1 3 357.267 3.026 20 0 FGADHO CCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000420333261 500443142 /nfs/dbraw/zinc/44/31/42/500443142.db2.gz KDZHAEIGSVPZOA-KDURUIRLSA-N 1 3 351.494 3.124 20 0 FGADHO Brc1ccccc1OCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332749 500443208 /nfs/dbraw/zinc/44/32/08/500443208.db2.gz SHWYTTIWRBSKMY-CABCVRRESA-N 1 3 353.304 3.149 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420379183 500451068 /nfs/dbraw/zinc/45/10/68/500451068.db2.gz MWDKSJZCKXVUJK-IBGZPJMESA-N 1 3 371.529 3.140 20 0 FGADHO C[C@@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416287 500457555 /nfs/dbraw/zinc/45/75/55/500457555.db2.gz VRSMNUFMFPKUJJ-MMOPVJDHSA-N 1 3 371.550 3.261 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285624 500480954 /nfs/dbraw/zinc/48/09/54/500480954.db2.gz GCSLYFNKESSYBX-ICSRJNTNSA-N 1 3 357.542 3.354 20 0 FGADHO CC[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287626 500481717 /nfs/dbraw/zinc/48/17/17/500481717.db2.gz JERLXMPLQXHAQR-QAPCUYQASA-N 1 3 363.933 3.371 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292128 500482390 /nfs/dbraw/zinc/48/23/90/500482390.db2.gz OCRPFMINDWNQRU-QZTJIDSGSA-N 1 3 365.521 3.481 20 0 FGADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297574 500483067 /nfs/dbraw/zinc/48/30/67/500483067.db2.gz SYROPUHKISWDQM-CVEARBPZSA-N 1 3 363.933 3.323 20 0 FGADHO COc1ccc(Br)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298158 500483351 /nfs/dbraw/zinc/48/33/51/500483351.db2.gz TZKPNZVGDSOYTR-CYBMUJFWSA-N 1 3 353.304 3.422 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420813658 500508042 /nfs/dbraw/zinc/50/80/42/500508042.db2.gz YMLPVOGKYTVSBG-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420813658 500508044 /nfs/dbraw/zinc/50/80/44/500508044.db2.gz YMLPVOGKYTVSBG-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828193 500510907 /nfs/dbraw/zinc/51/09/07/500510907.db2.gz DCPBLFAKCNTILW-XVAXZDLZSA-N 1 3 374.573 3.315 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NC2CCC([NH+](C)C)CC2)CCC1 ZINC000420847446 500514557 /nfs/dbraw/zinc/51/45/57/500514557.db2.gz QLIGTBDGHGCILA-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000433059518 500616234 /nfs/dbraw/zinc/61/62/34/500616234.db2.gz UBVRWRSNQALWIS-OBFZPWGMSA-N 1 3 369.553 3.244 20 0 FGADHO C[C@H](NCc1cccc(N2CCC2=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000442802074 500627832 /nfs/dbraw/zinc/62/78/32/500627832.db2.gz QKRWREIZMPZYTM-KRWDZBQOSA-N 1 3 367.493 3.215 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724783 500653892 /nfs/dbraw/zinc/65/38/92/500653892.db2.gz YHJFCIGMXAAOTC-RTBURBONSA-N 1 3 357.498 3.417 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724783 500653896 /nfs/dbraw/zinc/65/38/96/500653896.db2.gz YHJFCIGMXAAOTC-RTBURBONSA-N 1 3 357.498 3.417 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061680 500671567 /nfs/dbraw/zinc/67/15/67/500671567.db2.gz SDKHHXHOHCYTBD-KKSFZXQISA-N 1 3 361.505 3.234 20 0 FGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443079034 500676193 /nfs/dbraw/zinc/67/61/93/500676193.db2.gz YCLHSBHJSBCIIT-ZDUSSCGKSA-N 1 3 358.313 3.013 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740904 /nfs/dbraw/zinc/74/09/04/500740904.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 1 3 358.448 3.271 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740907 /nfs/dbraw/zinc/74/09/07/500740907.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 1 3 358.448 3.271 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348438 500774382 /nfs/dbraw/zinc/77/43/82/500774382.db2.gz XKLCFBPEXLTDNB-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348438 500774383 /nfs/dbraw/zinc/77/43/83/500774383.db2.gz XKLCFBPEXLTDNB-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482302 500791039 /nfs/dbraw/zinc/79/10/39/500791039.db2.gz KSTXEWDGBMMXJK-UYAOXDASSA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482302 500791041 /nfs/dbraw/zinc/79/10/41/500791041.db2.gz KSTXEWDGBMMXJK-UYAOXDASSA-N 1 3 357.542 3.134 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN1CCCN(C)CC1 ZINC000438832470 500824483 /nfs/dbraw/zinc/82/44/83/500824483.db2.gz UVYLBTCUVUCUJN-OAQYLSRUSA-N 1 3 354.542 3.471 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000439200278 500869236 /nfs/dbraw/zinc/86/92/36/500869236.db2.gz PWIOQEPTHRFWCR-CEXWTWQISA-N 1 3 352.567 3.011 20 0 FGADHO C[C@H](CN1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439298800 500882977 /nfs/dbraw/zinc/88/29/77/500882977.db2.gz VVHQSWFQXLTJGX-RGPKIKJVSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@@H](CN1CCC([C@@H]2CCCO2)CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439298800 500882978 /nfs/dbraw/zinc/88/29/78/500882978.db2.gz VVHQSWFQXLTJGX-RGPKIKJVSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000434778060 500893190 /nfs/dbraw/zinc/89/31/90/500893190.db2.gz ROAKLBBIRYSIRX-XLIONFOSSA-N 1 3 357.542 3.427 20 0 FGADHO C[NH+](C)CC1(NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC1 ZINC000439436130 500896366 /nfs/dbraw/zinc/89/63/66/500896366.db2.gz WGCAPDRYLOCDOI-UHFFFAOYSA-N 1 3 374.529 3.157 20 0 FGADHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391631 500966700 /nfs/dbraw/zinc/96/67/00/500966700.db2.gz SXBFZXYHVKFDMY-JBACZVJFSA-N 1 3 351.494 3.447 20 0 FGADHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391637 500967019 /nfs/dbraw/zinc/96/70/19/500967019.db2.gz SXBFZXYHVKFDMY-TYPHKJRUSA-N 1 3 351.494 3.447 20 0 FGADHO COc1cccc2c(CN3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)cccc12 ZINC000449323637 500977233 /nfs/dbraw/zinc/97/72/33/500977233.db2.gz ABJFFGMVKSFUCM-SFHVURJKSA-N 1 3 367.537 3.449 20 0 FGADHO COc1cccc2c(CN3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)cccc12 ZINC000449323637 500977236 /nfs/dbraw/zinc/97/72/36/500977236.db2.gz ABJFFGMVKSFUCM-SFHVURJKSA-N 1 3 367.537 3.449 20 0 FGADHO COc1cc2ccccc2cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000449325703 500977849 /nfs/dbraw/zinc/97/78/49/500977849.db2.gz OXXLPRDUWKBURW-UHFFFAOYSA-N 1 3 367.537 3.308 20 0 FGADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343929 500982635 /nfs/dbraw/zinc/98/26/35/500982635.db2.gz OFTDTODFEITDIE-MISYRCLQSA-N 1 3 360.567 3.256 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197894 500986390 /nfs/dbraw/zinc/98/63/90/500986390.db2.gz WVKGLCVVNPEBAF-IQNGYNMSSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197894 500986394 /nfs/dbraw/zinc/98/63/94/500986394.db2.gz WVKGLCVVNPEBAF-IQNGYNMSSA-N 1 3 364.578 3.011 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CF)CCOCC2)CC1 ZINC000449489325 501016135 /nfs/dbraw/zinc/01/61/35/501016135.db2.gz QLUDFOOVSCHOCM-UHFFFAOYSA-N 1 3 363.521 3.075 20 0 FGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305346 501104838 /nfs/dbraw/zinc/10/48/38/501104838.db2.gz GEHHFXBGTBUOQW-YHELAOLJSA-N 1 3 361.574 3.410 20 0 FGADHO CCc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450403508 501112737 /nfs/dbraw/zinc/11/27/37/501112737.db2.gz AXIXWNOLUBVYOJ-DYESRHJHSA-N 1 3 352.526 3.259 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc3c(cccc3F)[nH]2)C1 ZINC000436401155 501120816 /nfs/dbraw/zinc/12/08/16/501120816.db2.gz OAJFEJKYZPPCOJ-SFHVURJKSA-N 1 3 353.441 3.163 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc3c(cccc3F)[nH]2)C1 ZINC000436401155 501120823 /nfs/dbraw/zinc/12/08/23/501120823.db2.gz OAJFEJKYZPPCOJ-SFHVURJKSA-N 1 3 353.441 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000446523400 501129469 /nfs/dbraw/zinc/12/94/69/501129469.db2.gz QFEWESKBTITGQP-FQEVSTJZSA-N 1 3 372.557 3.258 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000446840436 501171923 /nfs/dbraw/zinc/17/19/23/501171923.db2.gz YYRHHMWQJJAKCS-WIYYLYMNSA-N 1 3 371.529 3.128 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839790 501172054 /nfs/dbraw/zinc/17/20/54/501172054.db2.gz CDJRJALLFWJMQO-GOSISDBHSA-N 1 3 358.448 3.413 20 0 FGADHO O=C(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)N1CCCCC1 ZINC000453062420 501261218 /nfs/dbraw/zinc/26/12/18/501261218.db2.gz MMKQGDUAMWKQBS-BHDDXSALSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)N1CCCCC1 ZINC000453062420 501261220 /nfs/dbraw/zinc/26/12/20/501261220.db2.gz MMKQGDUAMWKQBS-BHDDXSALSA-N 1 3 369.553 3.422 20 0 FGADHO Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(OCCN(C)C)c1 ZINC000457580173 501262728 /nfs/dbraw/zinc/26/27/28/501262728.db2.gz OXUWJRNMXHRLCI-UHFFFAOYSA-N 1 3 359.514 3.138 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087041 501265822 /nfs/dbraw/zinc/26/58/22/501265822.db2.gz VHNXDPRYCARPBN-OYNPSCLESA-N 1 3 357.542 3.324 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087041 501265824 /nfs/dbraw/zinc/26/58/24/501265824.db2.gz VHNXDPRYCARPBN-OYNPSCLESA-N 1 3 357.542 3.324 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000453098888 501268350 /nfs/dbraw/zinc/26/83/50/501268350.db2.gz XJURXHZAXOROOZ-OAQYLSRUSA-N 1 3 366.505 3.295 20 0 FGADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CO2 ZINC000453104260 501269844 /nfs/dbraw/zinc/26/98/44/501269844.db2.gz FLTVFKKPNOXVBP-CTNGQTDRSA-N 1 3 366.505 3.153 20 0 FGADHO C[C@H](CCCc1cccnc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000453125943 501273872 /nfs/dbraw/zinc/27/38/72/501273872.db2.gz XPKYZKFHKJBQCK-HXUWFJFHSA-N 1 3 358.574 3.333 20 0 FGADHO CC(C)CC[NH+]1CCC(CN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000453129933 501275437 /nfs/dbraw/zinc/27/54/37/501275437.db2.gz NXICVRKSZOUQKW-HXUWFJFHSA-N 1 3 359.493 3.381 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(OCCN(C)C)cc1 ZINC000453248371 501298777 /nfs/dbraw/zinc/29/87/77/501298777.db2.gz PNGIZAGPLMSMKL-OXJNMPFZSA-N 1 3 360.473 3.020 20 0 FGADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453250327 501299536 /nfs/dbraw/zinc/29/95/36/501299536.db2.gz HCZURQDIIOKPCM-FNAHDJPLSA-N 1 3 360.542 3.054 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453252986 501300028 /nfs/dbraw/zinc/30/00/28/501300028.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 1 3 350.510 3.300 20 0 FGADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000453252986 501300029 /nfs/dbraw/zinc/30/00/29/501300029.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 1 3 350.510 3.300 20 0 FGADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453316730 501313862 /nfs/dbraw/zinc/31/38/62/501313862.db2.gz JXRDZWHOIQOYDD-XNBWIAOKSA-N 1 3 372.553 3.318 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455863802 501402161 /nfs/dbraw/zinc/40/21/61/501402161.db2.gz SIJIVVSVHNHVOQ-RTBURBONSA-N 1 3 358.530 3.477 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458396850 501435734 /nfs/dbraw/zinc/43/57/34/501435734.db2.gz DCZLDQDXQLQRQD-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396850 501435738 /nfs/dbraw/zinc/43/57/38/501435738.db2.gz DCZLDQDXQLQRQD-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512551 501463351 /nfs/dbraw/zinc/46/33/51/501463351.db2.gz YIHPTPBSZPJJDD-TYPHKJRUSA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512551 501463352 /nfs/dbraw/zinc/46/33/52/501463352.db2.gz YIHPTPBSZPJJDD-TYPHKJRUSA-N 1 3 372.557 3.164 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000454322630 501513342 /nfs/dbraw/zinc/51/33/42/501513342.db2.gz OHBKDXAVUNPDOG-UHFFFAOYSA-N 1 3 360.546 3.071 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C ZINC000458760777 501525359 /nfs/dbraw/zinc/52/53/59/501525359.db2.gz HAWKPDAQXCXGGJ-HKUYNNGSSA-N 1 3 362.562 3.406 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000458793584 501532829 /nfs/dbraw/zinc/53/28/29/501532829.db2.gz NNMHKNFPPWXSDI-TZIWHRDSSA-N 1 3 374.573 3.225 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000458793584 501532830 /nfs/dbraw/zinc/53/28/30/501532830.db2.gz NNMHKNFPPWXSDI-TZIWHRDSSA-N 1 3 374.573 3.225 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000459291146 501625624 /nfs/dbraw/zinc/62/56/24/501625624.db2.gz CHJBOXYYRADXGD-LJQANCHMSA-N 1 3 357.542 3.220 20 0 FGADHO C[N@H+]1CC=C(CNCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459472364 501659500 /nfs/dbraw/zinc/65/95/00/501659500.db2.gz WESWELPCSOEMJK-UHFFFAOYSA-N 1 3 351.498 3.412 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459472364 501659503 /nfs/dbraw/zinc/65/95/03/501659503.db2.gz WESWELPCSOEMJK-UHFFFAOYSA-N 1 3 351.498 3.412 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000457382395 501690881 /nfs/dbraw/zinc/69/08/81/501690881.db2.gz RSFCDBSTXQSXSR-UHFFFAOYSA-N 1 3 366.509 3.236 20 0 FGADHO CN(c1ccccc1CN1CC2(CCC2)[C@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693715 501699810 /nfs/dbraw/zinc/69/98/10/501699810.db2.gz ZUHNKSJIECJOFB-UNMCSNQZSA-N 1 3 369.553 3.218 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457433 501702034 /nfs/dbraw/zinc/70/20/34/501702034.db2.gz NQTKMAIVSPVTHG-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457433 501702036 /nfs/dbraw/zinc/70/20/36/501702036.db2.gz NQTKMAIVSPVTHG-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464567 501703798 /nfs/dbraw/zinc/70/37/98/501703798.db2.gz VXCMBWSDHOMTQW-PMACEKPBSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464567 501703800 /nfs/dbraw/zinc/70/38/00/501703800.db2.gz VXCMBWSDHOMTQW-PMACEKPBSA-N 1 3 360.546 3.194 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457500242 501711674 /nfs/dbraw/zinc/71/16/74/501711674.db2.gz XHJXBWHNIDUNOL-IAGOWNOFSA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457500242 501711676 /nfs/dbraw/zinc/71/16/76/501711676.db2.gz XHJXBWHNIDUNOL-IAGOWNOFSA-N 1 3 364.559 3.009 20 0 FGADHO CO[C@H]1C[N@H+](Cc2ccc(CN3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758554 /nfs/dbraw/zinc/75/85/54/501758554.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1C[N@@H+](Cc2ccc(CN3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758558 /nfs/dbraw/zinc/75/85/58/501758558.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1CN(Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758565 /nfs/dbraw/zinc/75/85/65/501758565.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1CN(Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758573 /nfs/dbraw/zinc/75/85/73/501758573.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)N(C)C ZINC000477877171 501818021 /nfs/dbraw/zinc/81/80/21/501818021.db2.gz KLDXNRAYHALGPU-WIYYLYMNSA-N 1 3 374.573 3.406 20 0 FGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000474464890 501845073 /nfs/dbraw/zinc/84/50/73/501845073.db2.gz VGDZSZTYXFPBHP-FCHUYYIVSA-N 1 3 359.558 3.119 20 0 FGADHO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000467697914 501846750 /nfs/dbraw/zinc/84/67/50/501846750.db2.gz UQVNPKPCBHHVIJ-HXUWFJFHSA-N 1 3 369.484 3.025 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000474737292 501938235 /nfs/dbraw/zinc/93/82/35/501938235.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 1 3 357.542 3.206 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000474737292 501938239 /nfs/dbraw/zinc/93/82/39/501938239.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 1 3 357.542 3.206 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000460879086 501947876 /nfs/dbraw/zinc/94/78/76/501947876.db2.gz IOOAHYGIRAFMQY-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)CC1CCCC1 ZINC000482033583 501952620 /nfs/dbraw/zinc/95/26/20/501952620.db2.gz OVYHFSHZGGMVLZ-WIYYLYMNSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)CC1CCCC1 ZINC000482033583 501952628 /nfs/dbraw/zinc/95/26/28/501952628.db2.gz OVYHFSHZGGMVLZ-WIYYLYMNSA-N 1 3 357.542 3.183 20 0 FGADHO CC(C)(CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000478409590 501972169 /nfs/dbraw/zinc/97/21/69/501972169.db2.gz ZNEZHAILYWARMQ-FQEVSTJZSA-N 1 3 372.557 3.245 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967134 501973905 /nfs/dbraw/zinc/97/39/05/501973905.db2.gz CGHPORHMFLNVFG-FQEVSTJZSA-N 1 3 371.569 3.275 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(OC)c1 ZINC000482111789 501977979 /nfs/dbraw/zinc/97/79/79/501977979.db2.gz SIJAKMLBTUYLGY-JOCHJYFZSA-N 1 3 368.525 3.343 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000482169292 501996859 /nfs/dbraw/zinc/99/68/59/501996859.db2.gz ZSYZLSJMOABFKS-RTBURBONSA-N 1 3 372.553 3.375 20 0 FGADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475100680 502058844 /nfs/dbraw/zinc/05/88/44/502058844.db2.gz KACXEBGRGSCLHO-UXHICEINSA-N 1 3 374.573 3.269 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475106676 502061713 /nfs/dbraw/zinc/06/17/13/502061713.db2.gz BTMPVCFFXXAEHM-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1cc(C)cc([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149554 502082233 /nfs/dbraw/zinc/08/22/33/502082233.db2.gz PJCXEXXNYHATKX-WIYYLYMNSA-N 1 3 353.510 3.373 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000479270114 502212302 /nfs/dbraw/zinc/21/23/02/502212302.db2.gz DNHIUCSLLVQOHH-JPLJXNOCSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000479270114 502212304 /nfs/dbraw/zinc/21/23/04/502212304.db2.gz DNHIUCSLLVQOHH-JPLJXNOCSA-N 1 3 360.546 3.240 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000479342912 502230596 /nfs/dbraw/zinc/23/05/96/502230596.db2.gz HFGUSWCNQOMABL-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000479342912 502230601 /nfs/dbraw/zinc/23/06/01/502230601.db2.gz HFGUSWCNQOMABL-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139917 502245888 /nfs/dbraw/zinc/24/58/88/502245888.db2.gz IYJNOHFNAIKUMG-QZTJIDSGSA-N 1 3 371.525 3.163 20 0 FGADHO C[NH+](C)CCOCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479457387 502265423 /nfs/dbraw/zinc/26/54/23/502265423.db2.gz VORMINDNIHLOGT-MRXNPFEDSA-N 1 3 359.283 3.207 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727568 502267491 /nfs/dbraw/zinc/26/74/91/502267491.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727568 502267495 /nfs/dbraw/zinc/26/74/95/502267495.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 1 3 369.553 3.376 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295435 502303883 /nfs/dbraw/zinc/30/38/83/502303883.db2.gz RDUPTKKMMLVTBC-INIZCTEOSA-N 1 3 367.921 3.101 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306575 /nfs/dbraw/zinc/30/65/75/502306575.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306583 /nfs/dbraw/zinc/30/65/83/502306583.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311648 /nfs/dbraw/zinc/31/16/48/502311648.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311654 /nfs/dbraw/zinc/31/16/54/502311654.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 1 3 372.557 3.200 20 0 FGADHO Cc1[nH]nc2ncc(CN3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376857 502334786 /nfs/dbraw/zinc/33/47/86/502334786.db2.gz ZINOPDNGIJZRQN-FPOVZHCZSA-N 1 3 363.509 3.438 20 0 FGADHO COc1ccc([C@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686980 506307255 /nfs/dbraw/zinc/30/72/55/506307255.db2.gz JJHJCZQZQIKJPA-IFMALSPDSA-N 1 3 356.510 3.475 20 0 FGADHO COc1ccc([C@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686980 506307264 /nfs/dbraw/zinc/30/72/64/506307264.db2.gz JJHJCZQZQIKJPA-IFMALSPDSA-N 1 3 356.510 3.475 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735952 502363972 /nfs/dbraw/zinc/36/39/72/502363972.db2.gz BXYQLILTSRLNSW-OAQYLSRUSA-N 1 3 374.573 3.368 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735952 502363977 /nfs/dbraw/zinc/36/39/77/502363977.db2.gz BXYQLILTSRLNSW-OAQYLSRUSA-N 1 3 374.573 3.368 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465758089 502373572 /nfs/dbraw/zinc/37/35/72/502373572.db2.gz PDUIBSBLLFKXDL-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465758089 502373575 /nfs/dbraw/zinc/37/35/75/502373575.db2.gz PDUIBSBLLFKXDL-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000483538068 502425154 /nfs/dbraw/zinc/42/51/54/502425154.db2.gz LHOJOVFUJMJGCQ-UWVAXJGDSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000483538068 502425159 /nfs/dbraw/zinc/42/51/59/502425159.db2.gz LHOJOVFUJMJGCQ-UWVAXJGDSA-N 1 3 352.494 3.320 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000483646084 502452073 /nfs/dbraw/zinc/45/20/73/502452073.db2.gz RYPCTYNYKJFVKG-FQEVSTJZSA-N 1 3 372.557 3.168 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000466018550 502455844 /nfs/dbraw/zinc/45/58/44/502455844.db2.gz OQXJAYIPTXZJGU-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483676510 502459915 /nfs/dbraw/zinc/45/99/15/502459915.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483676510 502459919 /nfs/dbraw/zinc/45/99/19/502459919.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466041101 502463999 /nfs/dbraw/zinc/46/39/99/502463999.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466041101 502464002 /nfs/dbraw/zinc/46/40/02/502464002.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475957 /nfs/dbraw/zinc/47/59/57/502475957.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475959 /nfs/dbraw/zinc/47/59/59/502475959.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 1 3 374.573 3.410 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277998 502557241 /nfs/dbraw/zinc/55/72/41/502557241.db2.gz CWGXCKUSMVCSPN-XPEFGHIFSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277998 502557246 /nfs/dbraw/zinc/55/72/46/502557246.db2.gz CWGXCKUSMVCSPN-XPEFGHIFSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000466421343 502566722 /nfs/dbraw/zinc/56/67/22/502566722.db2.gz DGIDSIDAPKSWMG-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO COc1ccc2oc([C@H](C)NCCN3CCC([NH+](C)C)CC3)c(C)c2c1 ZINC000484477476 502649900 /nfs/dbraw/zinc/64/99/00/502649900.db2.gz AQOCIKCWANXCGJ-INIZCTEOSA-N 1 3 359.514 3.426 20 0 FGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488415841 502708535 /nfs/dbraw/zinc/70/85/35/502708535.db2.gz JLQLNSIXLBZPGR-HKUYNNGSSA-N 1 3 362.587 3.104 20 0 FGADHO CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000488470840 502724543 /nfs/dbraw/zinc/72/45/43/502724543.db2.gz WPJBNPQAOBERRS-QHAWAJNXSA-N 1 3 369.553 3.183 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C ZINC000484772323 502737152 /nfs/dbraw/zinc/73/71/52/502737152.db2.gz PRUBJDWGEFJYEQ-LAUBAEHRSA-N 1 3 372.557 3.160 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000470362755 502750538 /nfs/dbraw/zinc/75/05/38/502750538.db2.gz OXAYGQJUZWGOCX-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000470362755 502750542 /nfs/dbraw/zinc/75/05/42/502750542.db2.gz OXAYGQJUZWGOCX-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776475 /nfs/dbraw/zinc/77/64/75/502776475.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 1 3 357.542 3.375 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776479 /nfs/dbraw/zinc/77/64/79/502776479.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 1 3 357.542 3.375 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474019721 502781584 /nfs/dbraw/zinc/78/15/84/502781584.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474019721 502781586 /nfs/dbraw/zinc/78/15/86/502781586.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NCCCN1CCc2ccccc2C1)C(C)C ZINC000470489210 502793354 /nfs/dbraw/zinc/79/33/54/502793354.db2.gz DSVDDDBLVWQUBK-UHFFFAOYSA-N 1 3 374.573 3.243 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000500766723 502858680 /nfs/dbraw/zinc/85/86/80/502858680.db2.gz IFPZRSPQCYDEPK-UHFFFAOYSA-N 1 3 368.525 3.127 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858673 502879759 /nfs/dbraw/zinc/87/97/59/502879759.db2.gz KPMSSQHLCCKEEK-LJQANCHMSA-N 1 3 352.567 3.206 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500859614 502880095 /nfs/dbraw/zinc/88/00/95/502880095.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500859614 502880097 /nfs/dbraw/zinc/88/00/97/502880097.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000501043680 502920894 /nfs/dbraw/zinc/92/08/94/502920894.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000501043680 502920898 /nfs/dbraw/zinc/92/08/98/502920898.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 1 3 352.567 3.205 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161798 502951827 /nfs/dbraw/zinc/95/18/27/502951827.db2.gz GNSYWPOGJTXGSL-FUHWJXTLSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161798 502951829 /nfs/dbraw/zinc/95/18/29/502951829.db2.gz GNSYWPOGJTXGSL-FUHWJXTLSA-N 1 3 366.575 3.305 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961485 /nfs/dbraw/zinc/96/14/85/502961485.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 1 3 358.574 3.003 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961489 /nfs/dbraw/zinc/96/14/89/502961489.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 1 3 358.574 3.003 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000489535968 502980596 /nfs/dbraw/zinc/98/05/96/502980596.db2.gz IHUJCSAPCDCFLV-QZTJIDSGSA-N 1 3 360.546 3.289 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501383868 502997713 /nfs/dbraw/zinc/99/77/13/502997713.db2.gz AOUAJAXSVQRTQO-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO O[C@H](CNCC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000501447465 503011882 /nfs/dbraw/zinc/01/18/82/503011882.db2.gz JJJUZLIYXMEUHP-HXUWFJFHSA-N 1 3 360.448 3.143 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499002 503021714 /nfs/dbraw/zinc/02/17/14/503021714.db2.gz BSHMRJKPZWHYMX-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499002 503021717 /nfs/dbraw/zinc/02/17/17/503021717.db2.gz BSHMRJKPZWHYMX-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808567 503040027 /nfs/dbraw/zinc/04/00/27/503040027.db2.gz UKRKOWGTFANKBM-SLFFLAALSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810469 503041224 /nfs/dbraw/zinc/04/12/24/503041224.db2.gz XCVAUIKKKBPMIT-WLRLJWMZSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581520 503043998 /nfs/dbraw/zinc/04/39/98/503043998.db2.gz QBDIMKDRULJGHF-OAQYLSRUSA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581520 503044002 /nfs/dbraw/zinc/04/40/02/503044002.db2.gz QBDIMKDRULJGHF-OAQYLSRUSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965936 503076756 /nfs/dbraw/zinc/07/67/56/503076756.db2.gz WHNHRTVTZRHJKH-AGRFSFNASA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965936 503076760 /nfs/dbraw/zinc/07/67/60/503076760.db2.gz WHNHRTVTZRHJKH-AGRFSFNASA-N 1 3 357.542 3.275 20 0 FGADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293705 503087055 /nfs/dbraw/zinc/08/70/55/503087055.db2.gz AKXBCWFZCURNGK-QZTJIDSGSA-N 1 3 351.922 3.323 20 0 FGADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293705 503087059 /nfs/dbraw/zinc/08/70/59/503087059.db2.gz AKXBCWFZCURNGK-QZTJIDSGSA-N 1 3 351.922 3.323 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186400 503108208 /nfs/dbraw/zinc/10/82/08/503108208.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186400 503108213 /nfs/dbraw/zinc/10/82/13/503108213.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167194 503120958 /nfs/dbraw/zinc/12/09/58/503120958.db2.gz GWVCZDAJVUUSNC-WIYYLYMNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000510514550 503129904 /nfs/dbraw/zinc/12/99/04/503129904.db2.gz UYWXBPXXQLNUQH-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000514735424 503180097 /nfs/dbraw/zinc/18/00/97/503180097.db2.gz DCQAKKLCKLQVJA-NRFANRHFSA-N 1 3 364.493 3.071 20 0 FGADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000514735424 503180103 /nfs/dbraw/zinc/18/01/03/503180103.db2.gz DCQAKKLCKLQVJA-NRFANRHFSA-N 1 3 364.493 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506828176 503180223 /nfs/dbraw/zinc/18/02/23/503180223.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506828176 503180226 /nfs/dbraw/zinc/18/02/26/503180226.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 1 3 364.578 3.157 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000498418970 503183384 /nfs/dbraw/zinc/18/33/84/503183384.db2.gz AMJDBEOLIHXAJB-FXAWDEMLSA-N 1 3 360.546 3.099 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696861 503241175 /nfs/dbraw/zinc/24/11/75/503241175.db2.gz SRTSMMFWQTVMIH-FPOVZHCZSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696861 503241179 /nfs/dbraw/zinc/24/11/79/503241179.db2.gz SRTSMMFWQTVMIH-FPOVZHCZSA-N 1 3 374.573 3.126 20 0 FGADHO Cc1cc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997236 503258330 /nfs/dbraw/zinc/25/83/30/503258330.db2.gz RVFJKMGIXCQIQB-REWPJTCUSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997236 503258333 /nfs/dbraw/zinc/25/83/33/503258333.db2.gz RVFJKMGIXCQIQB-REWPJTCUSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997236 503258337 /nfs/dbraw/zinc/25/83/37/503258337.db2.gz RVFJKMGIXCQIQB-REWPJTCUSA-N 1 3 373.585 3.455 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491102000 503273317 /nfs/dbraw/zinc/27/33/17/503273317.db2.gz KJLCRLRGYKFCJZ-WAOWUJCRSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491102000 503273321 /nfs/dbraw/zinc/27/33/21/503273321.db2.gz KJLCRLRGYKFCJZ-WAOWUJCRSA-N 1 3 372.557 3.194 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@H]3CCCOC3)CC2)c1 ZINC000507460295 503302611 /nfs/dbraw/zinc/30/26/11/503302611.db2.gz HVPKLELOOKWTQU-RTWAWAEBSA-N 1 3 359.558 3.302 20 0 FGADHO C[C@@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507462972 503303205 /nfs/dbraw/zinc/30/32/05/503303205.db2.gz QVUMATYTWDCQBK-CTNGQTDRSA-N 1 3 360.542 3.462 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000502911206 503305354 /nfs/dbraw/zinc/30/53/54/503305354.db2.gz GCGBXBWOKKGJBP-RTBURBONSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000502911206 503305358 /nfs/dbraw/zinc/30/53/58/503305358.db2.gz GCGBXBWOKKGJBP-RTBURBONSA-N 1 3 372.557 3.297 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000515291605 503308245 /nfs/dbraw/zinc/30/82/45/503308245.db2.gz BTSRQJDUZHOBOD-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507518569 503313422 /nfs/dbraw/zinc/31/34/22/503313422.db2.gz DKQGNIRUWYDNNR-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507518569 503313424 /nfs/dbraw/zinc/31/34/24/503313424.db2.gz DKQGNIRUWYDNNR-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507518569 503313427 /nfs/dbraw/zinc/31/34/27/503313427.db2.gz DKQGNIRUWYDNNR-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412570 503316692 /nfs/dbraw/zinc/31/66/92/503316692.db2.gz DJUUFANDTLQGCK-AZUAARDMSA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412570 503316695 /nfs/dbraw/zinc/31/66/95/503316695.db2.gz DJUUFANDTLQGCK-AZUAARDMSA-N 1 3 374.573 3.317 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958113 503404259 /nfs/dbraw/zinc/40/42/59/503404259.db2.gz VCSUZIXYEAGLMG-CEXWTWQISA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958113 503404262 /nfs/dbraw/zinc/40/42/62/503404262.db2.gz VCSUZIXYEAGLMG-CEXWTWQISA-N 1 3 372.557 3.024 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503630452 503448741 /nfs/dbraw/zinc/44/87/41/503448741.db2.gz DYGMRYVLMUFHHL-HXUWFJFHSA-N 1 3 360.546 3.322 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215045 503472555 /nfs/dbraw/zinc/47/25/55/503472555.db2.gz CNAKDDIDJWPGRI-MRXNPFEDSA-N 1 3 373.463 3.275 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215045 503472558 /nfs/dbraw/zinc/47/25/58/503472558.db2.gz CNAKDDIDJWPGRI-MRXNPFEDSA-N 1 3 373.463 3.275 20 0 FGADHO Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000582706961 506376792 /nfs/dbraw/zinc/37/67/92/506376792.db2.gz VZPVGYVWHPUGQG-YSFYHYPLSA-N 1 3 374.500 3.140 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000500239680 503586256 /nfs/dbraw/zinc/58/62/56/503586256.db2.gz UBDCCVZVDYZUPK-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000508895914 503592377 /nfs/dbraw/zinc/59/23/77/503592377.db2.gz MAZKXRWLLDXFJE-LXZJYRNTSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000508895914 503592379 /nfs/dbraw/zinc/59/23/79/503592379.db2.gz MAZKXRWLLDXFJE-LXZJYRNTSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC000508899263 503594086 /nfs/dbraw/zinc/59/40/86/503594086.db2.gz TZROFRJODQVEQH-XLIONFOSSA-N 1 3 360.546 3.158 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508902044 503595333 /nfs/dbraw/zinc/59/53/33/503595333.db2.gz VVDPNLOJESPJFO-GHTZIAJQSA-N 1 3 374.573 3.441 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627105 503598365 /nfs/dbraw/zinc/59/83/65/503598365.db2.gz ZYZGYGBMCSTVBA-PWRODBHTSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627105 503598366 /nfs/dbraw/zinc/59/83/66/503598366.db2.gz ZYZGYGBMCSTVBA-PWRODBHTSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627105 503598370 /nfs/dbraw/zinc/59/83/70/503598370.db2.gz ZYZGYGBMCSTVBA-PWRODBHTSA-N 1 3 350.510 3.384 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000529721967 503681280 /nfs/dbraw/zinc/68/12/80/503681280.db2.gz FKXWEKPGAHZYMI-HXUWFJFHSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411254 503739368 /nfs/dbraw/zinc/73/93/68/503739368.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411254 503739374 /nfs/dbraw/zinc/73/93/74/503739374.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 1 3 352.567 3.203 20 0 FGADHO Cc1ccncc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000536858105 503742261 /nfs/dbraw/zinc/74/22/61/503742261.db2.gz LYVBGBFGQWZDLD-GOSISDBHSA-N 1 3 366.509 3.066 20 0 FGADHO CCn1ccnc1CNCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000537021666 503779747 /nfs/dbraw/zinc/77/97/47/503779747.db2.gz HOVFPWGFHNBTMB-RTBURBONSA-N 1 3 370.541 3.202 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCN2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566095 503790810 /nfs/dbraw/zinc/79/08/10/503790810.db2.gz JXIUJSMGACBKAE-OAQYLSRUSA-N 1 3 370.541 3.083 20 0 FGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707152 503863062 /nfs/dbraw/zinc/86/30/62/503863062.db2.gz PZUARTGCGUFUCL-GOTSBHOMSA-N 1 3 373.585 3.378 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000540747123 503877054 /nfs/dbraw/zinc/87/70/54/503877054.db2.gz FJLDWSSVBHWQOV-PBHICJAKSA-N 1 3 373.463 3.449 20 0 FGADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000537346195 503884706 /nfs/dbraw/zinc/88/47/06/503884706.db2.gz YHHPPXVRIZGTPW-JOCHJYFZSA-N 1 3 373.541 3.110 20 0 FGADHO CC(=O)c1c(C)cc(C)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1C ZINC000530238840 503888077 /nfs/dbraw/zinc/88/80/77/503888077.db2.gz DASCGABARVTLLI-FQEVSTJZSA-N 1 3 358.526 3.405 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000533622304 503903945 /nfs/dbraw/zinc/90/39/45/503903945.db2.gz KLBYNOXWNVPICW-LJQANCHMSA-N 1 3 372.557 3.213 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000533622304 503903950 /nfs/dbraw/zinc/90/39/50/503903950.db2.gz KLBYNOXWNVPICW-LJQANCHMSA-N 1 3 372.557 3.213 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@]12CCCO2 ZINC000546870283 503909527 /nfs/dbraw/zinc/90/95/27/503909527.db2.gz FGYGTLRJLRUQMZ-FHJOOOADSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@]12CCCO2 ZINC000546870283 503909532 /nfs/dbraw/zinc/90/95/32/503909532.db2.gz FGYGTLRJLRUQMZ-FHJOOOADSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@]12CCCO2 ZINC000546870283 503909536 /nfs/dbraw/zinc/90/95/36/503909536.db2.gz FGYGTLRJLRUQMZ-FHJOOOADSA-N 1 3 370.537 3.213 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000518271002 503941006 /nfs/dbraw/zinc/94/10/06/503941006.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000518271002 503941013 /nfs/dbraw/zinc/94/10/13/503941013.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 1 3 366.575 3.159 20 0 FGADHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858321 503974679 /nfs/dbraw/zinc/97/46/79/503974679.db2.gz KBNNVRNUKKNWET-GOSISDBHSA-N 1 3 369.557 3.011 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000518402560 503975293 /nfs/dbraw/zinc/97/52/93/503975293.db2.gz HDXUKTPASHZSQY-QWFCFKBJSA-N 1 3 374.573 3.345 20 0 FGADHO COc1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000527991862 504029450 /nfs/dbraw/zinc/02/94/50/504029450.db2.gz XAMBUWSQAIHMBW-WKCHPHFGSA-N 1 3 351.494 3.418 20 0 FGADHO COc1ccc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000527991862 504029456 /nfs/dbraw/zinc/02/94/56/504029456.db2.gz XAMBUWSQAIHMBW-WKCHPHFGSA-N 1 3 351.494 3.418 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769841 504082472 /nfs/dbraw/zinc/08/24/72/504082472.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769841 504082475 /nfs/dbraw/zinc/08/24/75/504082475.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@@H](C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812504 504094471 /nfs/dbraw/zinc/09/44/71/504094471.db2.gz RXBWATHCTLJQKZ-SFTDATJTSA-N 1 3 359.558 3.306 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000547421166 504098430 /nfs/dbraw/zinc/09/84/30/504098430.db2.gz XWFXWINOUKONOM-KZNAEPCWSA-N 1 3 371.525 3.019 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCCCC1 ZINC000541448708 504133480 /nfs/dbraw/zinc/13/34/80/504133480.db2.gz UBRMSOJYSPUZME-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178079 504159466 /nfs/dbraw/zinc/15/94/66/504159466.db2.gz ZBJPBWGIZONVOO-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCC(C)CC1 ZINC000519306486 504188261 /nfs/dbraw/zinc/18/82/61/504188261.db2.gz PFASAMOCHBYAFN-GOSISDBHSA-N 1 3 352.567 3.061 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398024 504233686 /nfs/dbraw/zinc/23/36/86/504233686.db2.gz AVKMSFGGGZWCPQ-YADHBBJMSA-N 1 3 371.569 3.261 20 0 FGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600738 504269542 /nfs/dbraw/zinc/26/95/42/504269542.db2.gz PPFMTCCLKOTYNL-ICSRJNTNSA-N 1 3 361.505 3.028 20 0 FGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600738 504269543 /nfs/dbraw/zinc/26/95/43/504269543.db2.gz PPFMTCCLKOTYNL-ICSRJNTNSA-N 1 3 361.505 3.028 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751897 504358740 /nfs/dbraw/zinc/35/87/40/504358740.db2.gz VMMMTSXERIOUAI-IBGZPJMESA-N 1 3 360.477 3.149 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000538763093 504362290 /nfs/dbraw/zinc/36/22/90/504362290.db2.gz FRPZYQUNZZLKAO-UHFFFAOYSA-N 1 3 356.514 3.400 20 0 FGADHO COCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548483921 504462415 /nfs/dbraw/zinc/46/24/15/504462415.db2.gz BAKZPPIXDRRGOB-WIYYLYMNSA-N 1 3 369.509 3.107 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339358 504470890 /nfs/dbraw/zinc/47/08/90/504470890.db2.gz QSUNDWAWWBQFAE-UGKGYDQZSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339358 504470895 /nfs/dbraw/zinc/47/08/95/504470895.db2.gz QSUNDWAWWBQFAE-UGKGYDQZSA-N 1 3 371.569 3.176 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CNC1CCC2(CCOCC2)CC1 ZINC000520453479 504503465 /nfs/dbraw/zinc/50/34/65/504503465.db2.gz AEMDJVXPRJKEJU-UHFFFAOYSA-N 1 3 361.530 3.241 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533666 /nfs/dbraw/zinc/53/36/66/504533666.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533671 /nfs/dbraw/zinc/53/36/71/504533671.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 1 3 372.557 3.242 20 0 FGADHO CN1CCC2(CC1)C[C@H](NCC[N@H+](C)C1CCCC1)c1ccccc1O2 ZINC000539395112 504555472 /nfs/dbraw/zinc/55/54/72/504555472.db2.gz GJWFFCFIKKTIBO-FQEVSTJZSA-N 1 3 357.542 3.439 20 0 FGADHO CN1CCC2(CC1)C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccccc1O2 ZINC000539395112 504555477 /nfs/dbraw/zinc/55/54/77/504555477.db2.gz GJWFFCFIKKTIBO-FQEVSTJZSA-N 1 3 357.542 3.439 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734731 504568754 /nfs/dbraw/zinc/56/87/54/504568754.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 1 3 373.516 3.171 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734731 504568759 /nfs/dbraw/zinc/56/87/59/504568759.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 1 3 373.516 3.171 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccnc4ccccc34)CC2)CC1 ZINC000542689736 504576246 /nfs/dbraw/zinc/57/62/46/504576246.db2.gz RMGREQASBDGFPC-UHFFFAOYSA-N 1 3 352.526 3.084 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794948 504584525 /nfs/dbraw/zinc/58/45/25/504584525.db2.gz MGRWWJARXIMDHM-OTWHNJEPSA-N 1 3 351.579 3.323 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794948 504584529 /nfs/dbraw/zinc/58/45/29/504584529.db2.gz MGRWWJARXIMDHM-OTWHNJEPSA-N 1 3 351.579 3.323 20 0 FGADHO CC(C)C[C@@H](CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485314 504585294 /nfs/dbraw/zinc/58/52/94/504585294.db2.gz FRZFGUREXTYFOL-RXVVDRJESA-N 1 3 372.557 3.313 20 0 FGADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)c(OC(F)F)cc1C ZINC000539514816 504595542 /nfs/dbraw/zinc/59/55/42/504595542.db2.gz GMYZRTLBDXDAFX-UHFFFAOYSA-N 1 3 356.457 3.230 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758359 504598023 /nfs/dbraw/zinc/59/80/23/504598023.db2.gz ARLUIDINUROGPE-JENIJYKNSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758359 504598028 /nfs/dbraw/zinc/59/80/28/504598028.db2.gz ARLUIDINUROGPE-JENIJYKNSA-N 1 3 364.578 3.011 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000532292012 504600577 /nfs/dbraw/zinc/60/05/77/504600577.db2.gz ORZJGUABAMSZJN-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000532292012 504600584 /nfs/dbraw/zinc/60/05/84/504600584.db2.gz ORZJGUABAMSZJN-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO CC(C)[NH+](CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000520954531 504615409 /nfs/dbraw/zinc/61/54/09/504615409.db2.gz LNKBZNYBQWEHDG-LJQANCHMSA-N 1 3 363.521 3.273 20 0 FGADHO CN(CCn1ccc2cc(Cl)ccc21)CC[N@H+](C)C1CCN(C)CC1 ZINC000521260339 504695692 /nfs/dbraw/zinc/69/56/92/504695692.db2.gz CBTYMDMZOMUCFO-UHFFFAOYSA-N 1 3 362.949 3.253 20 0 FGADHO CN(CCn1ccc2cc(Cl)ccc21)CC[N@@H+](C)C1CCN(C)CC1 ZINC000521260339 504695697 /nfs/dbraw/zinc/69/56/97/504695697.db2.gz CBTYMDMZOMUCFO-UHFFFAOYSA-N 1 3 362.949 3.253 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000539832225 504709060 /nfs/dbraw/zinc/70/90/60/504709060.db2.gz LOYYKOMVEAQTSZ-UHFFFAOYSA-N 1 3 362.905 3.273 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361083 504709550 /nfs/dbraw/zinc/70/95/50/504709550.db2.gz NTCNTIPBEGQTSK-NRFANRHFSA-N 1 3 369.509 3.435 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361083 504709555 /nfs/dbraw/zinc/70/95/55/504709555.db2.gz NTCNTIPBEGQTSK-NRFANRHFSA-N 1 3 369.509 3.435 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000532660890 504728970 /nfs/dbraw/zinc/72/89/70/504728970.db2.gz BXLQBNMYMCPPHO-UHFFFAOYSA-N 1 3 374.529 3.159 20 0 FGADHO Cc1ccccc1CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000532733069 504748073 /nfs/dbraw/zinc/74/80/73/504748073.db2.gz ATGOAZMXYQIVTF-UHFFFAOYSA-N 1 3 353.510 3.258 20 0 FGADHO Cc1ccc(OC[C@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000532778760 504756885 /nfs/dbraw/zinc/75/68/85/504756885.db2.gz GLLXCBDMVVGNOB-OAQYLSRUSA-N 1 3 360.542 3.323 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000549403784 504812210 /nfs/dbraw/zinc/81/22/10/504812210.db2.gz SFPBKCHLRLCUCE-UHFFFAOYSA-N 1 3 355.530 3.438 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000556236243 504825397 /nfs/dbraw/zinc/82/53/97/504825397.db2.gz JROGNDMNVDOXQI-KRWDZBQOSA-N 1 3 352.482 3.168 20 0 FGADHO CCC[C@@]1(NCc2cncc(C[NH2+][C@]3(CCC)CCOC3)c2)CCOC1 ZINC000562706110 504916319 /nfs/dbraw/zinc/91/63/19/504916319.db2.gz BLIQEFMCPUMVKQ-NHCUHLMSSA-N 1 3 361.530 3.179 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000565654943 504950641 /nfs/dbraw/zinc/95/06/41/504950641.db2.gz ZMPSTXLCMAVCCD-FXAWDEMLSA-N 1 3 360.542 3.272 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262724 505005285 /nfs/dbraw/zinc/00/52/85/505005285.db2.gz PJDAQYZMUNIPAX-NRSPTQNISA-N 1 3 358.526 3.072 20 0 FGADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000562981105 505008656 /nfs/dbraw/zinc/00/86/56/505008656.db2.gz XXWRRIWZGAHOPR-WCFLWFBJSA-N 1 3 365.934 3.268 20 0 FGADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000562984629 505009633 /nfs/dbraw/zinc/00/96/33/505009633.db2.gz HLTRGQKHAADNLN-LJQANCHMSA-N 1 3 370.493 3.293 20 0 FGADHO CSc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000562985327 505011339 /nfs/dbraw/zinc/01/13/39/505011339.db2.gz QMYHKNQYZCLYEL-INIZCTEOSA-N 1 3 352.544 3.001 20 0 FGADHO CC1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000563099966 505048645 /nfs/dbraw/zinc/04/86/45/505048645.db2.gz JGIPIFVLXGGXFN-RTWAWAEBSA-N 1 3 369.553 3.137 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2c1CCNC2 ZINC000557032633 505048807 /nfs/dbraw/zinc/04/88/07/505048807.db2.gz SIBQJRVMJWWKRO-MJGOQNOKSA-N 1 3 358.530 3.354 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000563198417 505073044 /nfs/dbraw/zinc/07/30/44/505073044.db2.gz YPOBJNKZRJSZFR-JOCHJYFZSA-N 1 3 365.521 3.324 20 0 FGADHO CC[N@H+](CCC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319239 505107438 /nfs/dbraw/zinc/10/74/38/505107438.db2.gz YBIRVQAAVZLBKJ-FQEVSTJZSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319239 505107440 /nfs/dbraw/zinc/10/74/40/505107440.db2.gz YBIRVQAAVZLBKJ-FQEVSTJZSA-N 1 3 351.579 3.466 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4[C@@H]3C)CC2)CC1 ZINC000563386270 505129172 /nfs/dbraw/zinc/12/91/72/505129172.db2.gz VRNSLEJXJFFFIB-KRWDZBQOSA-N 1 3 355.526 3.286 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)CC1 ZINC000557450372 505138067 /nfs/dbraw/zinc/13/80/67/505138067.db2.gz NPLSTNGLPMQUAL-UHFFFAOYSA-N 1 3 363.933 3.153 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000563466783 505148108 /nfs/dbraw/zinc/14/81/08/505148108.db2.gz IDHSFKBKEBIOPD-MSOLQXFVSA-N 1 3 374.529 3.142 20 0 FGADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000554478586 505182796 /nfs/dbraw/zinc/18/27/96/505182796.db2.gz MGLKVFJSRQZGTA-HKUYNNGSSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000554609466 505221149 /nfs/dbraw/zinc/22/11/49/505221149.db2.gz AAWHRYUEAHFLNT-MJGOQNOKSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000554609466 505221151 /nfs/dbraw/zinc/22/11/51/505221151.db2.gz AAWHRYUEAHFLNT-MJGOQNOKSA-N 1 3 360.546 3.194 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCN2CCC1CC2 ZINC000551566131 505256230 /nfs/dbraw/zinc/25/62/30/505256230.db2.gz PADOKQSNQTZCLJ-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276709 /nfs/dbraw/zinc/27/67/09/505276709.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276713 /nfs/dbraw/zinc/27/67/13/505276713.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 1 3 364.489 3.412 20 0 FGADHO CN1CCC2(CCCN2C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000561212313 505282793 /nfs/dbraw/zinc/28/27/93/505282793.db2.gz XAXUXNXOQRWICA-FQEVSTJZSA-N 1 3 366.509 3.109 20 0 FGADHO C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000558403971 505378588 /nfs/dbraw/zinc/37/85/88/505378588.db2.gz UNUWUNFTHDOATE-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1conc1Cc1ccccc1 ZINC000552042625 505378994 /nfs/dbraw/zinc/37/89/94/505378994.db2.gz QUJCCAJZSATXST-OAQYLSRUSA-N 1 3 370.541 3.113 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1conc1Cc1ccccc1 ZINC000552042625 505378997 /nfs/dbraw/zinc/37/89/97/505378997.db2.gz QUJCCAJZSATXST-OAQYLSRUSA-N 1 3 370.541 3.113 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CCOCC1)c1ccccc1 ZINC000552249949 505440470 /nfs/dbraw/zinc/44/04/70/505440470.db2.gz QIPJQXVXWVXKEQ-VXSCBNMQSA-N 1 3 371.569 3.349 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386871 505448009 /nfs/dbraw/zinc/44/80/09/505448009.db2.gz LKGLIEQXQBOPSW-BWPNAZKDSA-N 1 3 365.521 3.337 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000555546734 505453163 /nfs/dbraw/zinc/45/31/63/505453163.db2.gz FOFRUQFGZWYRJX-LJQANCHMSA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000555546734 505453167 /nfs/dbraw/zinc/45/31/67/505453167.db2.gz FOFRUQFGZWYRJX-LJQANCHMSA-N 1 3 372.557 3.027 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1C ZINC000567515844 505485645 /nfs/dbraw/zinc/48/56/45/505485645.db2.gz DISSCYYAJLERAC-STEAMIEHSA-N 1 3 363.933 3.022 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000567517347 505486574 /nfs/dbraw/zinc/48/65/74/505486574.db2.gz ZLTNPBSLNVLZRS-GOSISDBHSA-N 1 3 357.542 3.103 20 0 FGADHO Clc1ccc([C@@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581140 505505099 /nfs/dbraw/zinc/50/50/99/505505099.db2.gz YXUANEAOJJLURV-NVXWUHKLSA-N 1 3 359.905 3.351 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989521 505565737 /nfs/dbraw/zinc/56/57/37/505565737.db2.gz PNFLNWYEBCCLDV-PBWTXFEYSA-N 1 3 369.509 3.320 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989522 505565958 /nfs/dbraw/zinc/56/59/58/505565958.db2.gz PNFLNWYEBCCLDV-RNIPGJKVSA-N 1 3 369.509 3.320 20 0 FGADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000567829420 505566619 /nfs/dbraw/zinc/56/66/19/505566619.db2.gz KIJRQYBOZWFLMU-GOSISDBHSA-N 1 3 367.468 3.322 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000603610639 506577501 /nfs/dbraw/zinc/57/75/01/506577501.db2.gz XINRGAGTPFCVAE-PKOBYXMFSA-N 1 3 360.546 3.288 20 0 FGADHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000583136258 506610444 /nfs/dbraw/zinc/61/04/44/506610444.db2.gz OFRNWOANKIASAF-UHFFFAOYSA-N 1 3 372.513 3.022 20 0 FGADHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000583136258 506610449 /nfs/dbraw/zinc/61/04/49/506610449.db2.gz OFRNWOANKIASAF-UHFFFAOYSA-N 1 3 372.513 3.022 20 0 FGADHO CC(=O)Nc1cccc(CNCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000589641149 506614864 /nfs/dbraw/zinc/61/48/64/506614864.db2.gz UPEIERYCJDMSRF-UHFFFAOYSA-N 1 3 355.482 3.265 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608661414 506653353 /nfs/dbraw/zinc/65/33/53/506653353.db2.gz UODALVDBXQGTRD-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608671666 506659465 /nfs/dbraw/zinc/65/94/65/506659465.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608671666 506659471 /nfs/dbraw/zinc/65/94/71/506659471.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604107051 506716018 /nfs/dbraw/zinc/71/60/18/506716018.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604107051 506716026 /nfs/dbraw/zinc/71/60/26/506716026.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604156964 506728924 /nfs/dbraw/zinc/72/89/24/506728924.db2.gz LHMYKBALDNABEQ-HXUWFJFHSA-N 1 3 360.546 3.245 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000604159856 506730335 /nfs/dbraw/zinc/73/03/35/506730335.db2.gz RYKLMBPAMFBNHX-UHFFFAOYSA-N 1 3 374.573 3.333 20 0 FGADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590125975 506743855 /nfs/dbraw/zinc/74/38/55/506743855.db2.gz ZXVVIAUHXBUZPN-AWEZNQCLSA-N 1 3 361.313 3.007 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025805 506749512 /nfs/dbraw/zinc/74/95/12/506749512.db2.gz AIUCBPLRNHGEAS-BVYCBKJFSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025805 506749514 /nfs/dbraw/zinc/74/95/14/506749514.db2.gz AIUCBPLRNHGEAS-BVYCBKJFSA-N 1 3 369.553 3.073 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963852 506854556 /nfs/dbraw/zinc/85/45/56/506854556.db2.gz FCAWMEJRTLRMDG-FPOVZHCZSA-N 1 3 373.516 3.125 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831745 506998861 /nfs/dbraw/zinc/99/88/61/506998861.db2.gz CFMRAVQMOUYEJY-SIKLNZKXSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831745 506998863 /nfs/dbraw/zinc/99/88/63/506998863.db2.gz CFMRAVQMOUYEJY-SIKLNZKXSA-N 1 3 365.521 3.368 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594316884 507077009 /nfs/dbraw/zinc/07/70/09/507077009.db2.gz GQGXUEPWXTWJPE-ROUUACIJSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594316884 507077018 /nfs/dbraw/zinc/07/70/18/507077018.db2.gz GQGXUEPWXTWJPE-ROUUACIJSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000583989129 507090049 /nfs/dbraw/zinc/09/00/49/507090049.db2.gz FHKZVYJKIKOFFZ-MRXNPFEDSA-N 1 3 358.448 3.461 20 0 FGADHO CC(C)[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCC1 ZINC000591136772 507129215 /nfs/dbraw/zinc/12/92/15/507129215.db2.gz ZKUUFZZPCXKOSF-AQNXPRMDSA-N 1 3 351.579 3.371 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000591618339 507314194 /nfs/dbraw/zinc/31/41/94/507314194.db2.gz QDVVXNREUMULFH-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000591618339 507314200 /nfs/dbraw/zinc/31/42/00/507314200.db2.gz QDVVXNREUMULFH-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344244 /nfs/dbraw/zinc/34/42/44/507344244.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344253 /nfs/dbraw/zinc/34/42/53/507344253.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 1 3 367.921 3.482 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000584460958 507358319 /nfs/dbraw/zinc/35/83/19/507358319.db2.gz YWTSJORMYJPRQB-RTWAWAEBSA-N 1 3 372.557 3.122 20 0 FGADHO COC(=O)c1csc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595047149 507368711 /nfs/dbraw/zinc/36/87/11/507368711.db2.gz AOSJIXIQDHZAKH-CQSZACIVSA-N 1 3 366.527 3.076 20 0 FGADHO COc1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000584496568 507376990 /nfs/dbraw/zinc/37/69/90/507376990.db2.gz JFTVCFCSRZQWQN-HZPDHXFCSA-N 1 3 350.503 3.257 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000606659596 507472373 /nfs/dbraw/zinc/47/23/73/507472373.db2.gz OOTBDALOIJVJOW-ZVDOUQERSA-N 1 3 374.573 3.411 20 0 FGADHO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)C1 ZINC000595407435 507482894 /nfs/dbraw/zinc/48/28/94/507482894.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 1 3 373.541 3.011 20 0 FGADHO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)C1 ZINC000595407435 507482903 /nfs/dbraw/zinc/48/29/03/507482903.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 1 3 373.541 3.011 20 0 FGADHO COC(=O)c1cc(CN2CCC(CCC[NH+](C)C)CC2)n2c1CCCC2 ZINC000598672305 507545253 /nfs/dbraw/zinc/54/52/53/507545253.db2.gz KXRNKQKOMHFEKV-UHFFFAOYSA-N 1 3 361.530 3.165 20 0 FGADHO Cc1cnc(CCN(C)C/C=C/C[N@H+](C)CCc2ncc(C)s2)s1 ZINC000137169504 704868511 /nfs/dbraw/zinc/86/85/11/704868511.db2.gz MVHBEZSRAPAWAD-AATRIKPKSA-N 1 3 364.584 3.421 20 0 FGADHO Cc1cnc(CCN(C)C/C=C/C[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000137169504 704868517 /nfs/dbraw/zinc/86/85/17/704868517.db2.gz MVHBEZSRAPAWAD-AATRIKPKSA-N 1 3 364.584 3.421 20 0 FGADHO C[C@@H]1CN(CCCOc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374328071 713914023 /nfs/dbraw/zinc/91/40/23/713914023.db2.gz YBYUBLRDKLTKQQ-YLJYHZDGSA-N 1 3 365.949 3.067 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579931721 714500855 /nfs/dbraw/zinc/50/08/55/714500855.db2.gz MTGCQZGSWIQRSP-RDBSUJKOSA-N 1 3 357.420 3.400 20 0 FGADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672311 714543957 /nfs/dbraw/zinc/54/39/57/714543957.db2.gz UBNMRRUGZTYSHR-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672311 714543960 /nfs/dbraw/zinc/54/39/60/714543960.db2.gz UBNMRRUGZTYSHR-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000617504254 714663341 /nfs/dbraw/zinc/66/33/41/714663341.db2.gz MNSRDASZIYKPPL-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000617504254 714663342 /nfs/dbraw/zinc/66/33/42/714663342.db2.gz MNSRDASZIYKPPL-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO CN1C(=O)C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472193 715342837 /nfs/dbraw/zinc/34/28/37/715342837.db2.gz HUGWUJUDWSTLCB-OWQGQXMQSA-N 1 3 367.896 3.213 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013839 717139858 /nfs/dbraw/zinc/13/98/58/717139858.db2.gz WQVKEXKBXBSAAH-LZLYRXPVSA-N 1 3 352.544 3.094 20 0 FGADHO Cc1cc(CN)oc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000638056424 717404812 /nfs/dbraw/zinc/40/48/12/717404812.db2.gz YNDDKIYKUAOFLI-UHFFFAOYSA-N 1 3 361.873 3.095 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543708 718366520 /nfs/dbraw/zinc/36/65/20/718366520.db2.gz RFHQPAKKRPHWAQ-ZIAGYGMSSA-N 1 3 353.304 3.366 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000649949279 718593054 /nfs/dbraw/zinc/59/30/54/718593054.db2.gz VNAXVXUMKUJGLW-CABCVRRESA-N 1 3 358.404 3.477 20 0 FGADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707929 718717639 /nfs/dbraw/zinc/71/76/39/718717639.db2.gz QDICMGHYXICPAE-YXJHDRRASA-N 1 3 352.906 3.457 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CCN ZINC000652354562 718936400 /nfs/dbraw/zinc/93/64/00/718936400.db2.gz BWFBYYMCPKPJGG-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CCN ZINC000652354562 718936401 /nfs/dbraw/zinc/93/64/01/718936401.db2.gz BWFBYYMCPKPJGG-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354562 718936403 /nfs/dbraw/zinc/93/64/03/718936403.db2.gz BWFBYYMCPKPJGG-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO CC1(C)CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCN1 ZINC000652613954 718966526 /nfs/dbraw/zinc/96/65/26/718966526.db2.gz IWBXWDHPOVCGGU-UHFFFAOYSA-N 1 3 362.543 3.090 20 0 FGADHO Clc1nnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2[nH]cnc21 ZINC001164628843 719085700 /nfs/dbraw/zinc/08/57/00/719085700.db2.gz OZGWKNYTTLVPFQ-HUUCEWRRSA-N 1 3 368.872 3.107 20 0 FGADHO Clc1nnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2[nH]cnc21 ZINC001164628843 719085706 /nfs/dbraw/zinc/08/57/06/719085706.db2.gz OZGWKNYTTLVPFQ-HUUCEWRRSA-N 1 3 368.872 3.107 20 0 FGADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717920 719329420 /nfs/dbraw/zinc/32/94/20/719329420.db2.gz GANHAXIYXGDQQH-WOJBJXKFSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(N)CCCC1 ZINC000656789021 719471139 /nfs/dbraw/zinc/47/11/39/719471139.db2.gz IBSXRVKLPDNDNS-LBPRGKRZSA-N 1 3 359.392 3.163 20 0 FGADHO C[C@H]1CN(CCSc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660153728 719998181 /nfs/dbraw/zinc/99/81/81/719998181.db2.gz HEMAKDPUEBPUKJ-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000660153728 719998186 /nfs/dbraw/zinc/99/81/86/719998186.db2.gz HEMAKDPUEBPUKJ-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000660153728 719998188 /nfs/dbraw/zinc/99/81/88/719998188.db2.gz HEMAKDPUEBPUKJ-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000662347175 720417413 /nfs/dbraw/zinc/41/74/13/720417413.db2.gz CYQNMIAUQGPZKK-ROUUACIJSA-N 1 3 355.507 3.236 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662356450 720418185 /nfs/dbraw/zinc/41/81/85/720418185.db2.gz QRMRGDOJJYFZES-UHFFFAOYSA-N 1 3 357.523 3.166 20 0 FGADHO CN(C)C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532312 720438781 /nfs/dbraw/zinc/43/87/81/720438781.db2.gz PUJZPQLQJRJCGR-RBUKOAKNSA-N 1 3 357.885 3.294 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000665638976 720794626 /nfs/dbraw/zinc/79/46/26/720794626.db2.gz IDULMLWFPKFZSM-HOTGVXAUSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000665638976 720794631 /nfs/dbraw/zinc/79/46/31/720794631.db2.gz IDULMLWFPKFZSM-HOTGVXAUSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639339 720794658 /nfs/dbraw/zinc/79/46/58/720794658.db2.gz VKIJZBZXGZTNTO-JKSUJKDBSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639339 720794663 /nfs/dbraw/zinc/79/46/63/720794663.db2.gz VKIJZBZXGZTNTO-JKSUJKDBSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000797981647 723894951 /nfs/dbraw/zinc/89/49/51/723894951.db2.gz SDEZEVVVBYUREZ-DLBZAZTESA-N 1 3 353.551 3.486 20 0 FGADHO O[C@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)CN1CCCC1 ZINC000775377900 723986361 /nfs/dbraw/zinc/98/63/61/723986361.db2.gz FMBJPCLQAWMJSW-PBHICJAKSA-N 1 3 356.482 3.425 20 0 FGADHO O[C@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCCC1 ZINC000775872587 724076156 /nfs/dbraw/zinc/07/61/56/724076156.db2.gz VSTBJTUMSVYDPX-IAGOWNOFSA-N 1 3 371.294 3.086 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@H]2C[N@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507344 725370638 /nfs/dbraw/zinc/37/06/38/725370638.db2.gz YXPLNYLXCQPSAX-RCCFBDPRSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507344 725370640 /nfs/dbraw/zinc/37/06/40/725370640.db2.gz YXPLNYLXCQPSAX-RCCFBDPRSA-N 1 3 353.551 3.342 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862651 /nfs/dbraw/zinc/86/26/51/726862651.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 1 3 353.551 3.296 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862654 /nfs/dbraw/zinc/86/26/54/726862654.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 1 3 353.551 3.296 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000813879088 726920440 /nfs/dbraw/zinc/92/04/40/726920440.db2.gz KYFHXYJCULQNOX-HOCLYGCPSA-N 1 3 357.514 3.186 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000813879088 726920442 /nfs/dbraw/zinc/92/04/42/726920442.db2.gz KYFHXYJCULQNOX-HOCLYGCPSA-N 1 3 357.514 3.186 20 0 FGADHO C[NH+](C)C1CCC(NCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000817414351 727248865 /nfs/dbraw/zinc/24/88/65/727248865.db2.gz XATCBDDDJOIKIM-UHFFFAOYSA-N 1 3 356.869 3.487 20 0 FGADHO C[C@@H]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451635 729176458 /nfs/dbraw/zinc/17/64/58/729176458.db2.gz NMAUHSNACKHSJF-NVXWUHKLSA-N 1 3 351.535 3.381 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699071 729299510 /nfs/dbraw/zinc/29/95/10/729299510.db2.gz ZUDPOVAXFHZTKF-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(Cl)n1 ZINC000827528806 729431331 /nfs/dbraw/zinc/43/13/31/729431331.db2.gz ALCOGCOWHNEUNA-CRFBAAHOSA-N 1 3 366.937 3.060 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827785342 729434757 /nfs/dbraw/zinc/43/47/57/729434757.db2.gz BKFFHKPEILSBHG-LJQANCHMSA-N 1 3 351.535 3.194 20 0 FGADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000829443858 729480777 /nfs/dbraw/zinc/48/07/77/729480777.db2.gz HOQDQWZHRIDJEO-UHFFFAOYSA-N 1 3 350.890 3.434 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172476 730690455 /nfs/dbraw/zinc/69/04/55/730690455.db2.gz UXIQJDAYQUOTBR-IAGOWNOFSA-N 1 3 366.937 3.060 20 0 FGADHO [NH2+]=C(NC[C@@H]1CCC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849097177 731228667 /nfs/dbraw/zinc/22/86/67/731228667.db2.gz FFGYWFFHDODFKS-MRXNPFEDSA-N 1 3 350.457 3.200 20 0 FGADHO C[C@@]1(CNC(=[NH2+])NCCc2cccs2)CCCN1Cc1ccccc1 ZINC000849098299 731229010 /nfs/dbraw/zinc/22/90/10/731229010.db2.gz WHPVSMMHXFQFJO-FQEVSTJZSA-N 1 3 356.539 3.459 20 0 FGADHO CC(C)c1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000849276845 731240838 /nfs/dbraw/zinc/24/08/38/731240838.db2.gz RKJZNDAIYTYCCY-INIZCTEOSA-N 1 3 350.576 3.368 20 0 FGADHO CC(C)c1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000849276845 731240840 /nfs/dbraw/zinc/24/08/40/731240840.db2.gz RKJZNDAIYTYCCY-INIZCTEOSA-N 1 3 350.576 3.368 20 0 FGADHO C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000850534928 731370622 /nfs/dbraw/zinc/37/06/22/731370622.db2.gz RWGZJLSJAFPAOQ-OLMNPRSZSA-N 1 3 354.441 3.092 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241462 731686626 /nfs/dbraw/zinc/68/66/26/731686626.db2.gz VMURLYDJISTQDW-OKZBNKHCSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241462 731686630 /nfs/dbraw/zinc/68/66/30/731686630.db2.gz VMURLYDJISTQDW-OKZBNKHCSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241462 731686633 /nfs/dbraw/zinc/68/66/33/731686633.db2.gz VMURLYDJISTQDW-OKZBNKHCSA-N 1 3 351.535 3.144 20 0 FGADHO Cc1c(Cl)cccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000865470731 733208024 /nfs/dbraw/zinc/20/80/24/733208024.db2.gz FQLXLJPNINHDJJ-UHFFFAOYSA-N 1 3 359.901 3.230 20 0 FGADHO CN1CC[C@@H]2C[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010554 /nfs/dbraw/zinc/01/05/54/737010554.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010560 /nfs/dbraw/zinc/01/05/60/737010560.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869540 739312206 /nfs/dbraw/zinc/31/22/06/739312206.db2.gz BMJQQLZCQMODSQ-LJQANCHMSA-N 1 3 365.905 3.143 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892460293 740002507 /nfs/dbraw/zinc/00/25/07/740002507.db2.gz MPOGLIITEGADSG-OALUTQOASA-N 1 3 350.478 3.252 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@@H]1C(F)(F)F ZINC000893094413 742108856 /nfs/dbraw/zinc/10/88/56/742108856.db2.gz JQTMHSPNFHGMFD-JKJDWNRSSA-N 1 3 364.452 3.359 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894456174 742285614 /nfs/dbraw/zinc/28/56/14/742285614.db2.gz MLNPMZGTULGUAL-RTBURBONSA-N 1 3 350.478 3.204 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCCNC3)C[C@H]2C1 ZINC000904372089 743949910 /nfs/dbraw/zinc/94/99/10/743949910.db2.gz YIDQXEBIVDIDCJ-LJCCNALRSA-N 1 3 351.535 3.001 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000904392052 743951441 /nfs/dbraw/zinc/95/14/41/743951441.db2.gz LZUCZWLSJLEZDZ-CYBMUJFWSA-N 1 3 360.832 3.271 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000904392331 743951581 /nfs/dbraw/zinc/95/15/81/743951581.db2.gz PRACKJOVHNMGQN-LBPRGKRZSA-N 1 3 360.832 3.271 20 0 FGADHO CN(C)Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000905596380 744035531 /nfs/dbraw/zinc/03/55/31/744035531.db2.gz MCIMTLDBSSHIKX-UHFFFAOYSA-N 1 3 374.476 3.148 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000918121135 758304853 /nfs/dbraw/zinc/30/48/53/758304853.db2.gz KZXBMUVFBHZGAW-SJLPKXTDSA-N 1 3 366.575 3.305 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391714 758911719 /nfs/dbraw/zinc/91/17/19/758911719.db2.gz GKSNOFGDSQRPMC-WWNBULGVSA-N 1 3 365.587 3.400 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391714 758911722 /nfs/dbraw/zinc/91/17/22/758911722.db2.gz GKSNOFGDSQRPMC-WWNBULGVSA-N 1 3 365.587 3.400 20 0 FGADHO C[NH+]1CCC(O)(CN[C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000925119157 759450107 /nfs/dbraw/zinc/45/01/07/759450107.db2.gz WJGGWIKJDUDQSP-GOSISDBHSA-N 1 3 366.864 3.402 20 0 FGADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925775317 759534748 /nfs/dbraw/zinc/53/47/48/759534748.db2.gz FPVOOXPQXBZUQE-ZANVPECISA-N 1 3 363.221 3.410 20 0 FGADHO CC[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855487 759560618 /nfs/dbraw/zinc/56/06/18/759560618.db2.gz KRHCZTPIJRYDDG-DOMZBBRYSA-N 1 3 354.853 3.205 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ccsc2)CC1 ZINC000998013176 765091615 /nfs/dbraw/zinc/09/16/15/765091615.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 1 3 363.571 3.291 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ccsc2)CC1 ZINC000998013176 765091622 /nfs/dbraw/zinc/09/16/22/765091622.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 1 3 363.571 3.291 20 0 FGADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@@H]4C)CC3)[C@@H]2C1 ZINC000573599766 505575428 /nfs/dbraw/zinc/57/54/28/505575428.db2.gz JIIGZWFRFDPUSV-OAVQTBGQSA-N 1 3 361.574 3.266 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000579597907 505583415 /nfs/dbraw/zinc/58/34/15/505583415.db2.gz JONRCLCIQZCBFG-CVEARBPZSA-N 1 3 366.347 3.127 20 0 FGADHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000579637867 505591968 /nfs/dbraw/zinc/59/19/68/505591968.db2.gz UKDBERISMJNGCC-UHFFFAOYSA-N 1 3 358.482 3.242 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000568106540 505617911 /nfs/dbraw/zinc/61/79/11/505617911.db2.gz RPBKKMRMHDDQOV-HXUWFJFHSA-N 1 3 373.928 3.477 20 0 FGADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964360 505621881 /nfs/dbraw/zinc/62/18/81/505621881.db2.gz PXHCGIRJKRVSFQ-QNWVGRARSA-N 1 3 369.553 3.356 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC=C(c4ccco4)C3)CC2)CC1 ZINC000577002272 505642949 /nfs/dbraw/zinc/64/29/49/505642949.db2.gz FPSATIUUBONJSK-UHFFFAOYSA-N 1 3 371.525 3.092 20 0 FGADHO COC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064527 505645394 /nfs/dbraw/zinc/64/53/94/505645394.db2.gz AFGMJBXDAIUWFR-NRFANRHFSA-N 1 3 372.553 3.464 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000580011671 505661271 /nfs/dbraw/zinc/66/12/71/505661271.db2.gz OCQCKFKFHKURLS-UHFFFAOYSA-N 1 3 357.542 3.063 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000571193840 505676090 /nfs/dbraw/zinc/67/60/90/505676090.db2.gz WTOSDDSYVXPHLW-INIZCTEOSA-N 1 3 374.504 3.175 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906894 493912697 /nfs/dbraw/zinc/91/26/97/493912697.db2.gz KHJVAMDIPMASGZ-IBGZPJMESA-N 1 3 367.493 3.243 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000069160236 493929574 /nfs/dbraw/zinc/92/95/74/493929574.db2.gz FXJLOHOAGNWPQS-IBGZPJMESA-N 1 3 369.509 3.491 20 0 FGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761501 493986608 /nfs/dbraw/zinc/98/66/08/493986608.db2.gz OUKIJFAQAIDELR-KRWDZBQOSA-N 1 3 364.559 3.057 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000061864882 493996861 /nfs/dbraw/zinc/99/68/61/493996861.db2.gz ODRKXBYWUNUFJE-UHFFFAOYSA-N 1 3 368.525 3.199 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000061864882 493996865 /nfs/dbraw/zinc/99/68/65/493996865.db2.gz ODRKXBYWUNUFJE-UHFFFAOYSA-N 1 3 368.525 3.199 20 0 FGADHO Cc1ncc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000084018241 494043563 /nfs/dbraw/zinc/04/35/63/494043563.db2.gz PMNHCRPJSQSLNW-ROUUACIJSA-N 1 3 356.514 3.160 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000063464518 494057259 /nfs/dbraw/zinc/05/72/59/494057259.db2.gz LAFUNDLEVKDGJO-NRFANRHFSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648835 494108078 /nfs/dbraw/zinc/10/80/78/494108078.db2.gz DXOQNZZFPJXIBM-QWHCGFSZSA-N 1 3 370.278 3.426 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648835 494108081 /nfs/dbraw/zinc/10/80/81/494108081.db2.gz DXOQNZZFPJXIBM-QWHCGFSZSA-N 1 3 370.278 3.426 20 0 FGADHO C[C@@H](C1CC1)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508647 494129508 /nfs/dbraw/zinc/12/95/08/494129508.db2.gz PJMFNNMIGFMVJY-KRWDZBQOSA-N 1 3 355.526 3.030 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000065518595 494207369 /nfs/dbraw/zinc/20/73/69/494207369.db2.gz DENXUZULTMDHOE-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000065527099 494210167 /nfs/dbraw/zinc/21/01/67/494210167.db2.gz RHNLZAHSSMQZPA-HDICACEKSA-N 1 3 374.573 3.304 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000065527099 494210171 /nfs/dbraw/zinc/21/01/71/494210171.db2.gz RHNLZAHSSMQZPA-HDICACEKSA-N 1 3 374.573 3.304 20 0 FGADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000072600167 494214422 /nfs/dbraw/zinc/21/44/22/494214422.db2.gz GWDQREPAGCUQIF-OALUTQOASA-N 1 3 373.541 3.145 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000054510332 494242090 /nfs/dbraw/zinc/24/20/90/494242090.db2.gz DNMFMDXAQGJNJU-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000054510332 494242093 /nfs/dbraw/zinc/24/20/93/494242093.db2.gz DNMFMDXAQGJNJU-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000054763871 494267984 /nfs/dbraw/zinc/26/79/84/494267984.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 1 3 360.546 3.072 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000054763871 494267987 /nfs/dbraw/zinc/26/79/87/494267987.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 1 3 360.546 3.072 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268869 /nfs/dbraw/zinc/26/88/69/494268869.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268870 /nfs/dbraw/zinc/26/88/70/494268870.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000043179166 494275363 /nfs/dbraw/zinc/27/53/63/494275363.db2.gz PVGQYHNMOKCTHO-UHFFFAOYSA-N 1 3 372.557 3.131 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089513006 494319362 /nfs/dbraw/zinc/31/93/62/494319362.db2.gz TYQFISMCILSDRR-ZDUSSCGKSA-N 1 3 352.910 3.305 20 0 FGADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594438 494327794 /nfs/dbraw/zinc/32/77/94/494327794.db2.gz AZDOSTDZLOJTNH-IBGZPJMESA-N 1 3 373.541 3.053 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701596 494345804 /nfs/dbraw/zinc/34/58/04/494345804.db2.gz KDTBYMINWJTBLG-YVEFUNNKSA-N 1 3 370.324 3.158 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-c4ccoc4)c3)CC2)CC1 ZINC000089805466 494368200 /nfs/dbraw/zinc/36/82/00/494368200.db2.gz BPGIARHITKSTLM-UHFFFAOYSA-N 1 3 367.493 3.235 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000073724189 494419160 /nfs/dbraw/zinc/41/91/60/494419160.db2.gz OYTDKOGARWWMNC-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000079224106 494422605 /nfs/dbraw/zinc/42/26/05/494422605.db2.gz JIZRCSYUYAMRIY-QGZVFWFLSA-N 1 3 366.575 3.114 20 0 FGADHO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000090038851 494432126 /nfs/dbraw/zinc/43/21/26/494432126.db2.gz JUFLCFHXZQSSOT-IBGZPJMESA-N 1 3 367.537 3.397 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082449 494438742 /nfs/dbraw/zinc/43/87/42/494438742.db2.gz OCLJWGWWIXYNAJ-GWCFXTLKSA-N 1 3 351.800 3.062 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082449 494438747 /nfs/dbraw/zinc/43/87/47/494438747.db2.gz OCLJWGWWIXYNAJ-GWCFXTLKSA-N 1 3 351.800 3.062 20 0 FGADHO CSC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000090112931 494444478 /nfs/dbraw/zinc/44/44/78/494444478.db2.gz XZKAMJJAQFOTRM-INIZCTEOSA-N 1 3 352.544 3.190 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079393781 494446329 /nfs/dbraw/zinc/44/63/29/494446329.db2.gz DTLYKSXBBBWYBO-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079393781 494446331 /nfs/dbraw/zinc/44/63/31/494446331.db2.gz DTLYKSXBBBWYBO-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000067061850 494466488 /nfs/dbraw/zinc/46/64/88/494466488.db2.gz WVCGHROHLQWKOS-UHFFFAOYSA-N 1 3 374.573 3.400 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1F ZINC000090523329 494478372 /nfs/dbraw/zinc/47/83/72/494478372.db2.gz KGAXXMWJYNOUGM-KYNGSXCRSA-N 1 3 350.478 3.253 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@H](O)Cc1ccccc1 ZINC000090655117 494490657 /nfs/dbraw/zinc/49/06/57/494490657.db2.gz ZKKYRHNSNOSYTR-NJNPRVFISA-N 1 3 356.510 3.270 20 0 FGADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)N3CCCCCC3)c(C)c2)CC1 ZINC000074170165 494492956 /nfs/dbraw/zinc/49/29/56/494492956.db2.gz WSBUTGHTZINXSG-IBGZPJMESA-N 1 3 372.557 3.340 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285146 494578426 /nfs/dbraw/zinc/57/84/26/494578426.db2.gz XMSZAVPWRWCOIS-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118274 494601996 /nfs/dbraw/zinc/60/19/96/494601996.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118274 494602000 /nfs/dbraw/zinc/60/20/00/494602000.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118251 494602112 /nfs/dbraw/zinc/60/21/12/494602112.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118251 494602119 /nfs/dbraw/zinc/60/21/19/494602119.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107834881 494609200 /nfs/dbraw/zinc/60/92/00/494609200.db2.gz DEEHVTOWZQGIGA-OALUTQOASA-N 1 3 366.594 3.308 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258785 505732898 /nfs/dbraw/zinc/73/28/98/505732898.db2.gz NSQATZRXBWDBBU-YJBOKZPZSA-N 1 3 370.440 3.015 20 0 FGADHO CC[C@@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131661841 494690896 /nfs/dbraw/zinc/69/08/96/494690896.db2.gz XGFBWMZDQWNUAP-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000116431708 494785311 /nfs/dbraw/zinc/78/53/11/494785311.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000116431708 494785317 /nfs/dbraw/zinc/78/53/17/494785317.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552395 494787654 /nfs/dbraw/zinc/78/76/54/494787654.db2.gz FIWILAIFQWWTLH-XMSQKQJNSA-N 1 3 371.569 3.395 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885566 494788536 /nfs/dbraw/zinc/78/85/36/494788536.db2.gz ACFRSORLNYBEON-QZTJIDSGSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533742 494809759 /nfs/dbraw/zinc/80/97/59/494809759.db2.gz ISOUQBWDUXSMDJ-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000093844287 494927435 /nfs/dbraw/zinc/92/74/35/494927435.db2.gz YYHDVHVXVGHFOZ-IRXDYDNUSA-N 1 3 356.514 3.274 20 0 FGADHO C[NH+]1CCC(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000127350931 494932190 /nfs/dbraw/zinc/93/21/90/494932190.db2.gz AVYVLMUFLLZOIH-UHFFFAOYSA-N 1 3 374.529 3.015 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109925259 494933193 /nfs/dbraw/zinc/93/31/93/494933193.db2.gz UAYDQOLMMDCCTG-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO C[C@@H](CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)N1CCCCC1 ZINC000571517399 505752834 /nfs/dbraw/zinc/75/28/34/505752834.db2.gz XFYQMKHDUHFYRW-QFBILLFUSA-N 1 3 354.922 3.072 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000118546082 495008272 /nfs/dbraw/zinc/00/82/72/495008272.db2.gz MOWOIHYSBCNKSP-IBGZPJMESA-N 1 3 374.529 3.109 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000097257249 495029457 /nfs/dbraw/zinc/02/94/57/495029457.db2.gz YTAXEYMVUVRPSU-QGZVFWFLSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000097257249 495029459 /nfs/dbraw/zinc/02/94/59/495029459.db2.gz YTAXEYMVUVRPSU-QGZVFWFLSA-N 1 3 360.546 3.058 20 0 FGADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000101644727 495088814 /nfs/dbraw/zinc/08/88/14/495088814.db2.gz FTLRZXILDGHBBQ-LJQANCHMSA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000101644727 495088818 /nfs/dbraw/zinc/08/88/18/495088818.db2.gz FTLRZXILDGHBBQ-LJQANCHMSA-N 1 3 372.557 3.027 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000111800819 495112417 /nfs/dbraw/zinc/11/24/17/495112417.db2.gz XXZMTJDEOUVCPL-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125115 /nfs/dbraw/zinc/12/51/15/495125115.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125118 /nfs/dbraw/zinc/12/51/18/495125118.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125119 /nfs/dbraw/zinc/12/51/19/495125119.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125121 /nfs/dbraw/zinc/12/51/21/495125121.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668509 495132598 /nfs/dbraw/zinc/13/25/98/495132598.db2.gz MZWJIYKKWFXIRS-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000128720522 495140743 /nfs/dbraw/zinc/14/07/43/495140743.db2.gz IHUJFCVUXYSMFV-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000128720522 495140746 /nfs/dbraw/zinc/14/07/46/495140746.db2.gz IHUJFCVUXYSMFV-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123547872 495150013 /nfs/dbraw/zinc/15/00/13/495150013.db2.gz YFLAHJTUXXJIDK-OALUTQOASA-N 1 3 359.558 3.349 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228033 495205712 /nfs/dbraw/zinc/20/57/12/495205712.db2.gz WAZMJIRBSSOQIG-IBGZPJMESA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103228033 495205716 /nfs/dbraw/zinc/20/57/16/495205716.db2.gz WAZMJIRBSSOQIG-IBGZPJMESA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000113619656 495322140 /nfs/dbraw/zinc/32/21/40/495322140.db2.gz GAJQCNPKTIUNOO-OALUTQOASA-N 1 3 372.557 3.291 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083442 495334832 /nfs/dbraw/zinc/33/48/32/495334832.db2.gz CJYMSAMDDZAUPQ-PZJWPPBQSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083442 495334834 /nfs/dbraw/zinc/33/48/34/495334834.db2.gz CJYMSAMDDZAUPQ-PZJWPPBQSA-N 1 3 374.573 3.489 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000105207781 495345333 /nfs/dbraw/zinc/34/53/33/495345333.db2.gz IKAMMFQSAMXRCN-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000105269533 495350862 /nfs/dbraw/zinc/35/08/62/495350862.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000105269533 495350864 /nfs/dbraw/zinc/35/08/64/495350864.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630280 505777559 /nfs/dbraw/zinc/77/75/59/505777559.db2.gz KOEZXOJWDRMFSO-OALUTQOASA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630280 505777563 /nfs/dbraw/zinc/77/75/63/505777563.db2.gz KOEZXOJWDRMFSO-OALUTQOASA-N 1 3 374.573 3.269 20 0 FGADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000120482392 495388843 /nfs/dbraw/zinc/38/88/43/495388843.db2.gz FZEHTPARLUZSQX-CVEARBPZSA-N 1 3 358.530 3.259 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000125403461 495439340 /nfs/dbraw/zinc/43/93/40/495439340.db2.gz KIUMDGQITBSNNN-IIBYNOLFSA-N 1 3 358.482 3.020 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)N(C)C)cc1 ZINC000130770988 495442671 /nfs/dbraw/zinc/44/26/71/495442671.db2.gz MMEMOKZPNVBRQS-OAQYLSRUSA-N 1 3 372.557 3.304 20 0 FGADHO CN(CCc1ccccn1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120829230 495466428 /nfs/dbraw/zinc/46/64/28/495466428.db2.gz YKGDGGXIUKEDNA-UHFFFAOYSA-N 1 3 352.526 3.287 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362671 495533926 /nfs/dbraw/zinc/53/39/26/495533926.db2.gz NPDFUKVYEODCFC-ZWKOTPCHSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362671 495533931 /nfs/dbraw/zinc/53/39/31/495533931.db2.gz NPDFUKVYEODCFC-ZWKOTPCHSA-N 1 3 364.578 3.203 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000154176061 495535588 /nfs/dbraw/zinc/53/55/88/495535588.db2.gz OCVHOGCYVIKHJA-UWVAXJGDSA-N 1 3 364.530 3.491 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000577770134 505789410 /nfs/dbraw/zinc/78/94/10/505789410.db2.gz JDZAMOIZINXBIA-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154370314 495596508 /nfs/dbraw/zinc/59/65/08/495596508.db2.gz ZEPGHUZSUUCOLG-MRXNPFEDSA-N 1 3 353.938 3.417 20 0 FGADHO OC[C@]1(CNC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000571693975 505791900 /nfs/dbraw/zinc/79/19/00/505791900.db2.gz FDOMTMJSHJVRRK-BJKOFHAPSA-N 1 3 364.533 3.449 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154473921 495627362 /nfs/dbraw/zinc/62/73/62/495627362.db2.gz NWMPSNBVBMMXAI-INIZCTEOSA-N 1 3 353.938 3.417 20 0 FGADHO CC1CCN([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2ccccc2)CC1 ZINC000185591294 495634931 /nfs/dbraw/zinc/63/49/31/495634931.db2.gz BFDWZYVDTNROHN-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO CC[C@H](NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1nccn1C ZINC000182679677 495661573 /nfs/dbraw/zinc/66/15/73/495661573.db2.gz PYDQOCHIKUCIBX-FQEVSTJZSA-N 1 3 356.514 3.382 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173752418 495677178 /nfs/dbraw/zinc/67/71/78/495677178.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173752418 495677182 /nfs/dbraw/zinc/67/71/82/495677182.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 1 3 360.546 3.151 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185704143 495689284 /nfs/dbraw/zinc/68/92/84/495689284.db2.gz KNGIUZFEEGKCQI-IBGZPJMESA-N 1 3 372.557 3.215 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823515 495708389 /nfs/dbraw/zinc/70/83/89/495708389.db2.gz IVMUIYNJFYANIB-KBAYOESNSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823515 495708391 /nfs/dbraw/zinc/70/83/91/495708391.db2.gz IVMUIYNJFYANIB-KBAYOESNSA-N 1 3 366.575 3.255 20 0 FGADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000151379257 495820841 /nfs/dbraw/zinc/82/08/41/495820841.db2.gz MQMMBKNTFNPVAD-KRWDZBQOSA-N 1 3 355.320 3.337 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180119008 495866004 /nfs/dbraw/zinc/86/60/04/495866004.db2.gz BCYCNFKBXBEAFF-AUSIDOKSSA-N 1 3 367.537 3.400 20 0 FGADHO CC(C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1CCCCC1 ZINC000171434886 495872120 /nfs/dbraw/zinc/87/21/20/495872120.db2.gz UNYRJVHYNKOEHP-JOCHJYFZSA-N 1 3 371.569 3.320 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174383603 495934431 /nfs/dbraw/zinc/93/44/31/495934431.db2.gz CBNPWWNFAYRNIB-KRWDZBQOSA-N 1 3 369.509 3.442 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340114 495937484 /nfs/dbraw/zinc/93/74/84/495937484.db2.gz KGGQLTWLFZQDBT-KXBFYZLASA-N 1 3 356.514 3.468 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587058 496004131 /nfs/dbraw/zinc/00/41/31/496004131.db2.gz SMTJVSNPYBUXPK-GJZGRUSLSA-N 1 3 359.436 3.262 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)c(Br)c1 ZINC000177381369 496039543 /nfs/dbraw/zinc/03/95/43/496039543.db2.gz QIBNYKXNEKLSRS-UHFFFAOYSA-N 1 3 372.326 3.046 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174691522 496064323 /nfs/dbraw/zinc/06/43/23/496064323.db2.gz LKVAKLQDERRQCI-OTYNDTSQSA-N 1 3 372.557 3.384 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000174691522 496064330 /nfs/dbraw/zinc/06/43/30/496064330.db2.gz LKVAKLQDERRQCI-OTYNDTSQSA-N 1 3 372.557 3.384 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152243323 496091814 /nfs/dbraw/zinc/09/18/14/496091814.db2.gz PHPLBYHUZRWRIN-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000177559938 496112423 /nfs/dbraw/zinc/11/24/23/496112423.db2.gz TZGVYWSMPRBWOK-YZGWKJHDSA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152706586 496232591 /nfs/dbraw/zinc/23/25/91/496232591.db2.gz GQIXLMBMUREYRZ-UHFFFAOYSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037179 496299047 /nfs/dbraw/zinc/29/90/47/496299047.db2.gz JDNTTXLCCXIYMW-NVXWUHKLSA-N 1 3 374.447 3.371 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331188 /nfs/dbraw/zinc/33/11/88/496331188.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331196 /nfs/dbraw/zinc/33/11/96/496331196.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331202 /nfs/dbraw/zinc/33/12/02/496331202.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331208 /nfs/dbraw/zinc/33/12/08/496331208.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 1 3 356.432 3.025 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172555206 496338915 /nfs/dbraw/zinc/33/89/15/496338915.db2.gz WLTZNRPNKSSPIF-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162514452 496366097 /nfs/dbraw/zinc/36/60/97/496366097.db2.gz AHBCBFWEIQQXSR-LMKMVOKYSA-N 1 3 360.523 3.215 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000162568057 496374213 /nfs/dbraw/zinc/37/42/13/496374213.db2.gz QKNXNRLWAMLGPG-MRXNPFEDSA-N 1 3 356.466 3.249 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869370 496425802 /nfs/dbraw/zinc/42/58/02/496425802.db2.gz BDAAQIQEBIMBNE-HMFYCAOWSA-N 1 3 364.537 3.463 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC000178414503 496448257 /nfs/dbraw/zinc/44/82/57/496448257.db2.gz VOJCFGOEGXLYIK-CQSZACIVSA-N 1 3 373.419 3.378 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCC[NH+]1CCCC1 ZINC000178414503 496448258 /nfs/dbraw/zinc/44/82/58/496448258.db2.gz VOJCFGOEGXLYIK-CQSZACIVSA-N 1 3 373.419 3.378 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178460173 496465196 /nfs/dbraw/zinc/46/51/96/496465196.db2.gz VCXFZWAZMPVDSL-GOSISDBHSA-N 1 3 369.509 3.016 20 0 FGADHO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699662 496506190 /nfs/dbraw/zinc/50/61/90/496506190.db2.gz XZQCOSYBRSZVNT-QFBILLFUSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCCCC1 ZINC000175701197 496507070 /nfs/dbraw/zinc/50/70/70/496507070.db2.gz MITIXIOWYZYODR-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](c1cccc(F)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984234 496509569 /nfs/dbraw/zinc/50/95/69/496509569.db2.gz XBTXUJMVIHOADF-INIZCTEOSA-N 1 3 363.521 3.303 20 0 FGADHO C[C@H](CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000574757109 505849258 /nfs/dbraw/zinc/84/92/58/505849258.db2.gz PWVMUIHIBUJNHU-XWIAVFTESA-N 1 3 367.331 3.381 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000178698914 496544229 /nfs/dbraw/zinc/54/42/29/496544229.db2.gz MRNUOKXCDBLSNQ-SFHVURJKSA-N 1 3 356.489 3.474 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945555 496608256 /nfs/dbraw/zinc/60/82/56/496608256.db2.gz LOOFSHDIAWQFCW-MRXNPFEDSA-N 1 3 374.447 3.251 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945555 496608258 /nfs/dbraw/zinc/60/82/58/496608258.db2.gz LOOFSHDIAWQFCW-MRXNPFEDSA-N 1 3 374.447 3.251 20 0 FGADHO CCC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000185084666 496652704 /nfs/dbraw/zinc/65/27/04/496652704.db2.gz BKVLTKMWLAPKIZ-JOCHJYFZSA-N 1 3 352.526 3.460 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H](C)C[NH+]1CCCC1 ZINC000165265795 496654099 /nfs/dbraw/zinc/65/40/99/496654099.db2.gz OGHMMTISYAEWKM-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000165265795 496654101 /nfs/dbraw/zinc/65/41/01/496654101.db2.gz OGHMMTISYAEWKM-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000165288026 496654560 /nfs/dbraw/zinc/65/45/60/496654560.db2.gz WNXQLUMQMSAILT-ZWKOTPCHSA-N 1 3 356.514 3.382 20 0 FGADHO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000165591251 496662145 /nfs/dbraw/zinc/66/21/45/496662145.db2.gz JZTVTCSIHCDZIN-QGZVFWFLSA-N 1 3 369.509 3.479 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147292 496678141 /nfs/dbraw/zinc/67/81/41/496678141.db2.gz NLBFGUNKTLZAHL-UNMCSNQZSA-N 1 3 359.558 3.162 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147383 496678178 /nfs/dbraw/zinc/67/81/78/496678178.db2.gz NLBFGUNKTLZAHL-RBBKRZOGSA-N 1 3 359.558 3.162 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122891 496693711 /nfs/dbraw/zinc/69/37/11/496693711.db2.gz LFFPFDRHJSZGQB-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122891 496693718 /nfs/dbraw/zinc/69/37/18/496693718.db2.gz LFFPFDRHJSZGQB-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182264795 496723556 /nfs/dbraw/zinc/72/35/56/496723556.db2.gz FQTSRNKBWJZBKU-JXFKEZNVSA-N 1 3 370.493 3.121 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182264795 496723558 /nfs/dbraw/zinc/72/35/58/496723558.db2.gz FQTSRNKBWJZBKU-JXFKEZNVSA-N 1 3 370.493 3.121 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272172 496724117 /nfs/dbraw/zinc/72/41/17/496724117.db2.gz RYJLHEYKAXBVEG-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272172 496724119 /nfs/dbraw/zinc/72/41/19/496724119.db2.gz RYJLHEYKAXBVEG-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000188375459 496768864 /nfs/dbraw/zinc/76/88/64/496768864.db2.gz SDSXCZMVDOZKIL-FQEVSTJZSA-N 1 3 359.514 3.110 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000273405750 496797518 /nfs/dbraw/zinc/79/75/18/496797518.db2.gz HPHRKVBOYJAQKQ-LQWHRVPQSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1cccc(NC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000191577284 496819162 /nfs/dbraw/zinc/81/91/62/496819162.db2.gz UDAGLOWIJPJKRJ-UHFFFAOYSA-N 1 3 358.574 3.287 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000191595076 496826021 /nfs/dbraw/zinc/82/60/21/496826021.db2.gz NOFRHDFYHKUACR-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134408 496830260 /nfs/dbraw/zinc/83/02/60/496830260.db2.gz PEICGTNEGZFYNA-PKOBYXMFSA-N 1 3 372.534 3.263 20 0 FGADHO CC(C)OCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000578127664 505868621 /nfs/dbraw/zinc/86/86/21/505868621.db2.gz JRJMNSPYXPDGCB-LJQANCHMSA-N 1 3 368.949 3.318 20 0 FGADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000247486231 496870016 /nfs/dbraw/zinc/87/00/16/496870016.db2.gz KOFRCUQFJCHOKQ-UGKGYDQZSA-N 1 3 369.553 3.378 20 0 FGADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000247486231 496870020 /nfs/dbraw/zinc/87/00/20/496870020.db2.gz KOFRCUQFJCHOKQ-UGKGYDQZSA-N 1 3 369.553 3.378 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000269511857 496961695 /nfs/dbraw/zinc/96/16/95/496961695.db2.gz OVLGTQQWVSRYGJ-UIFIKXQLSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000269511857 496961702 /nfs/dbraw/zinc/96/17/02/496961702.db2.gz OVLGTQQWVSRYGJ-UIFIKXQLSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217849 496974243 /nfs/dbraw/zinc/97/42/43/496974243.db2.gz ZZEAKHHGVUMLDS-LVQVYYBASA-N 1 3 353.457 3.185 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217849 496974245 /nfs/dbraw/zinc/97/42/45/496974245.db2.gz ZZEAKHHGVUMLDS-LVQVYYBASA-N 1 3 353.457 3.185 20 0 FGADHO C[C@H](NCCOCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000219310410 497008530 /nfs/dbraw/zinc/00/85/30/497008530.db2.gz PCQKJWJHQAUASJ-LBPRGKRZSA-N 1 3 355.276 3.424 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000248456230 497017885 /nfs/dbraw/zinc/01/78/85/497017885.db2.gz SDQDTXYNEZCLDL-DNVCBOLYSA-N 1 3 358.457 3.252 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000248456230 497017889 /nfs/dbraw/zinc/01/78/89/497017889.db2.gz SDQDTXYNEZCLDL-DNVCBOLYSA-N 1 3 358.457 3.252 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248589934 497049434 /nfs/dbraw/zinc/04/94/34/497049434.db2.gz ZAOOYBFBWIMFTH-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248589934 497049440 /nfs/dbraw/zinc/04/94/40/497049440.db2.gz ZAOOYBFBWIMFTH-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248589934 497049445 /nfs/dbraw/zinc/04/94/45/497049445.db2.gz ZAOOYBFBWIMFTH-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO [NH3+][C@@H](CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911534 505881975 /nfs/dbraw/zinc/88/19/75/505881975.db2.gz HRVGNWPIGIMVTR-FDFHNCONSA-N 1 3 363.505 3.200 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272932 497066013 /nfs/dbraw/zinc/06/60/13/497066013.db2.gz ZGDNUWSXWMGQAO-IKJBURDNSA-N 1 3 369.509 3.056 20 0 FGADHO CC(C)[NH2+]CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000569222953 505882414 /nfs/dbraw/zinc/88/24/14/505882414.db2.gz MUPHVEHRSCHFCX-UHFFFAOYSA-N 1 3 351.922 3.153 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cc2)CC1 ZINC000236634692 497124048 /nfs/dbraw/zinc/12/40/48/497124048.db2.gz CLIAQARKMMHNPR-JOCHJYFZSA-N 1 3 365.521 3.105 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902032 497131643 /nfs/dbraw/zinc/13/16/43/497131643.db2.gz UOAZEHUSGBNUNI-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000249202463 497179915 /nfs/dbraw/zinc/17/99/15/497179915.db2.gz AEYUJFKJALJQIK-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO Cc1ccc(CN(C)C)cc1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237065447 497186283 /nfs/dbraw/zinc/18/62/83/497186283.db2.gz JQJCEPDJRMRTBF-UHFFFAOYSA-N 1 3 351.494 3.317 20 0 FGADHO COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000192702785 497189426 /nfs/dbraw/zinc/18/94/26/497189426.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000192702785 497189430 /nfs/dbraw/zinc/18/94/30/497189430.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCCCC1 ZINC000192702785 497189435 /nfs/dbraw/zinc/18/94/35/497189435.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 1 3 357.542 3.437 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000237181348 497202218 /nfs/dbraw/zinc/20/22/18/497202218.db2.gz INSRCCKPLXTVTC-UHFFFAOYSA-N 1 3 366.509 3.189 20 0 FGADHO Cc1ncccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000237203769 497204264 /nfs/dbraw/zinc/20/42/64/497204264.db2.gz CRNMNOHERYVXPT-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO Cc1ncccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000237203769 497204266 /nfs/dbraw/zinc/20/42/66/497204266.db2.gz CRNMNOHERYVXPT-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000278739384 497204995 /nfs/dbraw/zinc/20/49/95/497204995.db2.gz WKAPCHZNBJFJEF-QHCPKHFHSA-N 1 3 371.569 3.228 20 0 FGADHO COc1ccc([C@@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCCN2C)cc1 ZINC000237230470 497207539 /nfs/dbraw/zinc/20/75/39/497207539.db2.gz OEQJIHKOMZSZLC-GHTZIAJQSA-N 1 3 361.530 3.104 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252111559 497297337 /nfs/dbraw/zinc/29/73/37/497297337.db2.gz JQENCAGHMIWAES-SVFBPWRDSA-N 1 3 374.573 3.347 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252111559 497297340 /nfs/dbraw/zinc/29/73/40/497297340.db2.gz JQENCAGHMIWAES-SVFBPWRDSA-N 1 3 374.573 3.347 20 0 FGADHO N[C@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000237849910 497301567 /nfs/dbraw/zinc/30/15/67/497301567.db2.gz VPOIAWJAXYPEPG-LJQANCHMSA-N 1 3 357.523 3.166 20 0 FGADHO c1cn2c(n1)CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000279010214 497302315 /nfs/dbraw/zinc/30/23/15/497302315.db2.gz SUTQMPGNAUMPSO-MXEMCNAFSA-N 1 3 350.510 3.231 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000279212712 497369353 /nfs/dbraw/zinc/36/93/53/497369353.db2.gz YIBFROMDEBBCAO-OXQOHEQNSA-N 1 3 352.482 3.040 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(CC)CC1 ZINC000266694608 497399993 /nfs/dbraw/zinc/39/99/93/497399993.db2.gz MRVGEHDABSWORW-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(CC)CC1 ZINC000266694608 497399995 /nfs/dbraw/zinc/39/99/95/497399995.db2.gz MRVGEHDABSWORW-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(-c2ccccc2)cs1 ZINC000261681722 497432478 /nfs/dbraw/zinc/43/24/78/497432478.db2.gz AHHBKGYTARSBEH-GOSISDBHSA-N 1 3 357.523 3.235 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000193916859 497519616 /nfs/dbraw/zinc/51/96/16/497519616.db2.gz RJAUEUDKBISHHI-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971491 497536102 /nfs/dbraw/zinc/53/61/02/497536102.db2.gz GKKBSVDAWUOZNK-IBGZPJMESA-N 1 3 353.938 3.035 20 0 FGADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000190703858 497577914 /nfs/dbraw/zinc/57/79/14/497577914.db2.gz RHBHNJCHUFJLDZ-UHFFFAOYSA-N 1 3 368.525 3.050 20 0 FGADHO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272437387 497628968 /nfs/dbraw/zinc/62/89/68/497628968.db2.gz SBGNLYNIEATLEQ-MZADTFQBSA-N 1 3 350.510 3.433 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130526 497632570 /nfs/dbraw/zinc/63/25/70/497632570.db2.gz JQAWCDPGOPXXOX-ZFWWWQNUSA-N 1 3 360.420 3.456 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000194366903 497645081 /nfs/dbraw/zinc/64/50/81/497645081.db2.gz RNYCZJAVHVTJRM-QFIPXVFZSA-N 1 3 369.553 3.450 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246194075 497655482 /nfs/dbraw/zinc/65/54/82/497655482.db2.gz MQRHAANAFPMQIF-RTBURBONSA-N 1 3 374.573 3.489 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246194075 497655486 /nfs/dbraw/zinc/65/54/86/497655486.db2.gz MQRHAANAFPMQIF-RTBURBONSA-N 1 3 374.573 3.489 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246194053 497655829 /nfs/dbraw/zinc/65/58/29/497655829.db2.gz MQRHAANAFPMQIF-MOPGFXCFSA-N 1 3 374.573 3.489 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246194053 497655835 /nfs/dbraw/zinc/65/58/35/497655835.db2.gz MQRHAANAFPMQIF-MOPGFXCFSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272550641 497658580 /nfs/dbraw/zinc/65/85/80/497658580.db2.gz FENQLWKXDRZVPL-IRLDBZIGSA-N 1 3 371.569 3.132 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272730838 497715023 /nfs/dbraw/zinc/71/50/23/497715023.db2.gz INJUFDADSDQUPT-RXVVDRJESA-N 1 3 352.478 3.039 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272730838 497715029 /nfs/dbraw/zinc/71/50/29/497715029.db2.gz INJUFDADSDQUPT-RXVVDRJESA-N 1 3 352.478 3.039 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262186 497744258 /nfs/dbraw/zinc/74/42/58/497744258.db2.gz RCEQPADPNANEHG-ZVDOUQERSA-N 1 3 361.530 3.102 20 0 FGADHO C[NH+]1CCC(CNCc2ccc(Br)o2)(N2CCCCC2)CC1 ZINC000191216551 497745619 /nfs/dbraw/zinc/74/56/19/497745619.db2.gz RHDDYHAVHRCAHK-UHFFFAOYSA-N 1 3 370.335 3.082 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277170075 497763929 /nfs/dbraw/zinc/76/39/29/497763929.db2.gz RVSZFXNHBPFPHF-OAHLLOKOSA-N 1 3 369.347 3.063 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608017 497787817 /nfs/dbraw/zinc/78/78/17/497787817.db2.gz WPDHAAVPTKDPCJ-BJLQDIEVSA-N 1 3 360.546 3.069 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608017 497787818 /nfs/dbraw/zinc/78/78/18/497787818.db2.gz WPDHAAVPTKDPCJ-BJLQDIEVSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246825614 497813977 /nfs/dbraw/zinc/81/39/77/497813977.db2.gz AEZNJUXZZSOCFY-IKGGRYGDSA-N 1 3 365.493 3.022 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246874000 497817998 /nfs/dbraw/zinc/81/79/98/497817998.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 1 3 372.553 3.300 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246874000 497817999 /nfs/dbraw/zinc/81/79/99/497817999.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 1 3 372.553 3.300 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890838 497819025 /nfs/dbraw/zinc/81/90/25/497819025.db2.gz DSLCRAKKAWISNO-XIRDDKMYSA-N 1 3 351.922 3.247 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890838 497819026 /nfs/dbraw/zinc/81/90/26/497819026.db2.gz DSLCRAKKAWISNO-XIRDDKMYSA-N 1 3 351.922 3.247 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548361 497825128 /nfs/dbraw/zinc/82/51/28/497825128.db2.gz XVNPTCCIGBQDCT-IAGOWNOFSA-N 1 3 356.432 3.388 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccccc3)CC2)CC1 ZINC000581259464 505945768 /nfs/dbraw/zinc/94/57/68/505945768.db2.gz KCHNMPDLZVVGBD-GOSISDBHSA-N 1 3 357.542 3.402 20 0 FGADHO CN(Cc1ccccc1)C1CCC([NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000281054364 498002095 /nfs/dbraw/zinc/00/20/95/498002095.db2.gz RCAZNYAVZKYCDP-UHFFFAOYSA-N 1 3 366.571 3.233 20 0 FGADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329767 505962519 /nfs/dbraw/zinc/96/25/19/505962519.db2.gz FBNBBAWCXSAUSD-WOJBJXKFSA-N 1 3 361.530 3.067 20 0 FGADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329767 505962521 /nfs/dbraw/zinc/96/25/21/505962521.db2.gz FBNBBAWCXSAUSD-WOJBJXKFSA-N 1 3 361.530 3.067 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000285144718 498005966 /nfs/dbraw/zinc/00/59/66/498005966.db2.gz JTAXKSBTJDJQAC-FQEVSTJZSA-N 1 3 370.497 3.181 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000572486951 505981488 /nfs/dbraw/zinc/98/14/88/505981488.db2.gz QMLJUVFSONDCEB-GHTZIAJQSA-N 1 3 357.542 3.232 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000572486951 505981490 /nfs/dbraw/zinc/98/14/90/505981490.db2.gz QMLJUVFSONDCEB-GHTZIAJQSA-N 1 3 357.542 3.232 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)c2ccccc12 ZINC000289420842 498139651 /nfs/dbraw/zinc/13/96/51/498139651.db2.gz JCYVTNMTJLMMAZ-UHFFFAOYSA-N 1 3 367.537 3.308 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(OCCN(C)C)c1 ZINC000281463312 498158972 /nfs/dbraw/zinc/15/89/72/498158972.db2.gz DWZHLVMXFUCFBA-INIZCTEOSA-N 1 3 374.554 3.403 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853526 498174614 /nfs/dbraw/zinc/17/46/14/498174614.db2.gz ZVIXKSWSHXQPNP-HYVNUMGLSA-N 1 3 351.922 3.213 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907022 498246572 /nfs/dbraw/zinc/24/65/72/498246572.db2.gz PFNQDVUNKDTFGO-BHIYHBOVSA-N 1 3 363.933 3.470 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1OC ZINC000286060147 498281338 /nfs/dbraw/zinc/28/13/38/498281338.db2.gz LIFSFSRSWSBLRN-SJORKVTESA-N 1 3 362.514 3.164 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638111 498291853 /nfs/dbraw/zinc/29/18/53/498291853.db2.gz NHGWLNIUHQWSKL-FDFHNCONSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638111 498291859 /nfs/dbraw/zinc/29/18/59/498291859.db2.gz NHGWLNIUHQWSKL-FDFHNCONSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638111 498291866 /nfs/dbraw/zinc/29/18/66/498291866.db2.gz NHGWLNIUHQWSKL-FDFHNCONSA-N 1 3 362.521 3.397 20 0 FGADHO FC(F)(F)c1cccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000297327831 498406773 /nfs/dbraw/zinc/40/67/73/498406773.db2.gz CPSISIMQLQABPN-UHFFFAOYSA-N 1 3 366.387 3.133 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccncc2)s1 ZINC000575956251 506041379 /nfs/dbraw/zinc/04/13/79/506041379.db2.gz QEOYEOLZBWHHLM-SFHVURJKSA-N 1 3 373.570 3.053 20 0 FGADHO Cc1ccc(C)c(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000365479796 498487872 /nfs/dbraw/zinc/48/78/72/498487872.db2.gz SPAQMURCHOOYAK-UHFFFAOYSA-N 1 3 372.557 3.003 20 0 FGADHO CCOc1c(OC)cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338285 498515151 /nfs/dbraw/zinc/51/51/51/498515151.db2.gz FGDLSXQIHAYEOP-GOSISDBHSA-N 1 3 362.514 3.266 20 0 FGADHO C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703703 498541894 /nfs/dbraw/zinc/54/18/94/498541894.db2.gz RROONGSNKBSZOW-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703703 498541897 /nfs/dbraw/zinc/54/18/97/498541897.db2.gz RROONGSNKBSZOW-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1cccc2c1CCNC2 ZINC000572823074 506060683 /nfs/dbraw/zinc/06/06/83/506060683.db2.gz HTZVVWMZRQHJJM-GOSISDBHSA-N 1 3 356.514 3.251 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1cccc2c1CCNC2 ZINC000572823074 506060684 /nfs/dbraw/zinc/06/06/84/506060684.db2.gz HTZVVWMZRQHJJM-GOSISDBHSA-N 1 3 356.514 3.251 20 0 FGADHO CN(CCCN(C)C(=O)CC[N@H+](C)C1CCCCC1)Cc1ccncc1 ZINC000569934097 506051095 /nfs/dbraw/zinc/05/10/95/506051095.db2.gz VZEHACSHWRERSA-UHFFFAOYSA-N 1 3 360.546 3.017 20 0 FGADHO CN(CCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccncc1 ZINC000569934097 506051100 /nfs/dbraw/zinc/05/11/00/506051100.db2.gz VZEHACSHWRERSA-UHFFFAOYSA-N 1 3 360.546 3.017 20 0 FGADHO FC(F)(F)c1ccn([C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046568 506064066 /nfs/dbraw/zinc/06/40/66/506064066.db2.gz UCGJRCKKKMBVIN-KRWDZBQOSA-N 1 3 364.415 3.385 20 0 FGADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078236 498646732 /nfs/dbraw/zinc/64/67/32/498646732.db2.gz SHBWJSXZIIGVQO-QUCCMNQESA-N 1 3 363.521 3.130 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303461425 498676893 /nfs/dbraw/zinc/67/68/93/498676893.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303461425 498676896 /nfs/dbraw/zinc/67/68/96/498676896.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 1 3 374.573 3.317 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175160 498686536 /nfs/dbraw/zinc/68/65/36/498686536.db2.gz OQIFDWLXLSNQJL-UKBAYJJMSA-N 1 3 362.514 3.244 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175160 498686540 /nfs/dbraw/zinc/68/65/40/498686540.db2.gz OQIFDWLXLSNQJL-UKBAYJJMSA-N 1 3 362.514 3.244 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000282903977 498703783 /nfs/dbraw/zinc/70/37/83/498703783.db2.gz ZCUAFWULGWKRSS-UHFFFAOYSA-N 1 3 355.530 3.438 20 0 FGADHO COc1cc2nccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1OC ZINC000298241238 498707250 /nfs/dbraw/zinc/70/72/50/498707250.db2.gz LWQVJFBCEXRMPT-OAHLLOKOSA-N 1 3 371.481 3.165 20 0 FGADHO CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000576131944 506084127 /nfs/dbraw/zinc/08/41/27/506084127.db2.gz WKZPYGUCYXRYNF-FQEVSTJZSA-N 1 3 358.530 3.210 20 0 FGADHO COc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N2CCCCC2)cc1 ZINC000298385797 498753437 /nfs/dbraw/zinc/75/34/37/498753437.db2.gz LEWSWEVGJXTQSL-JOCHJYFZSA-N 1 3 357.542 3.439 20 0 FGADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000311798417 498753498 /nfs/dbraw/zinc/75/34/98/498753498.db2.gz NCBLKKBRPKNCLE-HXUWFJFHSA-N 1 3 350.510 3.162 20 0 FGADHO Fc1ccc2c(c1)OC[C@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000581895814 506084893 /nfs/dbraw/zinc/08/48/93/506084893.db2.gz QJGYTCVMQIUCCK-OAQYLSRUSA-N 1 3 354.469 3.426 20 0 FGADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000311798414 498754920 /nfs/dbraw/zinc/75/49/20/498754920.db2.gz NCBLKKBRPKNCLE-FQEVSTJZSA-N 1 3 350.510 3.162 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000313115928 498765255 /nfs/dbraw/zinc/76/52/55/498765255.db2.gz ZSEVLTPXKUEDOQ-BHDDXSALSA-N 1 3 364.489 3.473 20 0 FGADHO C[C@H]1CN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091763 506088363 /nfs/dbraw/zinc/08/83/63/506088363.db2.gz IGSSFQUEBHHNSA-RBBKRZOGSA-N 1 3 371.569 3.274 20 0 FGADHO Cc1ncsc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581932130 506093129 /nfs/dbraw/zinc/09/31/29/506093129.db2.gz KYYBOIXUQKUUAH-IBGZPJMESA-N 1 3 371.550 3.470 20 0 FGADHO C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCN(C2CCOCC2)CC1 ZINC000363507969 498853144 /nfs/dbraw/zinc/85/31/44/498853144.db2.gz FVOBUMWYGUJOAG-UHFFFAOYSA-N 1 3 355.482 3.016 20 0 FGADHO C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CCN(C2CCOCC2)CC1 ZINC000363507969 498853147 /nfs/dbraw/zinc/85/31/47/498853147.db2.gz FVOBUMWYGUJOAG-UHFFFAOYSA-N 1 3 355.482 3.016 20 0 FGADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326775 498875967 /nfs/dbraw/zinc/87/59/67/498875967.db2.gz FTOLKAHZQXASPJ-YZGWKJHDSA-N 1 3 371.912 3.019 20 0 FGADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326775 498875973 /nfs/dbraw/zinc/87/59/73/498875973.db2.gz FTOLKAHZQXASPJ-YZGWKJHDSA-N 1 3 371.912 3.019 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(N(C)C)cc3C)CC2)CC1 ZINC000573077987 506113206 /nfs/dbraw/zinc/11/32/06/506113206.db2.gz VOQIWPSXWXMXSR-UHFFFAOYSA-N 1 3 372.557 3.196 20 0 FGADHO c1cn(-c2csc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2)cn1 ZINC000582028606 506116175 /nfs/dbraw/zinc/11/61/75/506116175.db2.gz YUHOEFRCLJKZOP-UHFFFAOYSA-N 1 3 360.527 3.011 20 0 FGADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284042235 499036284 /nfs/dbraw/zinc/03/62/84/499036284.db2.gz LVBUCGRHKSAKNX-NRFANRHFSA-N 1 3 356.514 3.171 20 0 FGADHO CSC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705758 499041678 /nfs/dbraw/zinc/04/16/78/499041678.db2.gz ZJBTUWXFXMKWTF-HXUWFJFHSA-N 1 3 359.583 3.164 20 0 FGADHO CSC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705758 499041682 /nfs/dbraw/zinc/04/16/82/499041682.db2.gz ZJBTUWXFXMKWTF-HXUWFJFHSA-N 1 3 359.583 3.164 20 0 FGADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000284193457 499066457 /nfs/dbraw/zinc/06/64/57/499066457.db2.gz YLECAAAYSUHAOD-UHFFFAOYSA-N 1 3 368.477 3.221 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284206215 499068489 /nfs/dbraw/zinc/06/84/89/499068489.db2.gz BZKQRFYSVRKOSP-UHFFFAOYSA-N 1 3 356.514 3.047 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000364051644 499101011 /nfs/dbraw/zinc/10/10/11/499101011.db2.gz KUEWVQNPEOMOOQ-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO CN1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328709 506132076 /nfs/dbraw/zinc/13/20/76/506132076.db2.gz CTZNHRGHTSGRCR-MAUKXSAKSA-N 1 3 358.511 3.411 20 0 FGADHO COc1ccc2c(c1)[C@@H](C)C[N@@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000367043393 499138702 /nfs/dbraw/zinc/13/87/02/499138702.db2.gz PWBBFIMYXDEUIP-IBGZPJMESA-N 1 3 359.558 3.073 20 0 FGADHO COc1ccc2c(c1)[C@@H](C)C[N@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000367043393 499138704 /nfs/dbraw/zinc/13/87/04/499138704.db2.gz PWBBFIMYXDEUIP-IBGZPJMESA-N 1 3 359.558 3.073 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000369933999 499153910 /nfs/dbraw/zinc/15/39/10/499153910.db2.gz PUFKDCSWSXTURA-NRFANRHFSA-N 1 3 361.505 3.329 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000367551730 499211735 /nfs/dbraw/zinc/21/17/35/499211735.db2.gz AQVCDDUXALUWOJ-NRFANRHFSA-N 1 3 370.585 3.147 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000367551730 499211736 /nfs/dbraw/zinc/21/17/36/499211736.db2.gz AQVCDDUXALUWOJ-NRFANRHFSA-N 1 3 370.585 3.147 20 0 FGADHO CCc1ccccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367889039 499242071 /nfs/dbraw/zinc/24/20/71/499242071.db2.gz ZXFSBQUSWQJMOR-UHFFFAOYSA-N 1 3 366.509 3.431 20 0 FGADHO CCc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000370682010 499243890 /nfs/dbraw/zinc/24/38/90/499243890.db2.gz PTNBNXUUIIUSDA-UHFFFAOYSA-N 1 3 362.493 3.068 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370705833 499246225 /nfs/dbraw/zinc/24/62/25/499246225.db2.gz JOFWWFBXPGPUGM-WMZHIEFXSA-N 1 3 364.537 3.206 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368047202 499259251 /nfs/dbraw/zinc/25/92/51/499259251.db2.gz SHFPCKYHLVLTJL-QGZVFWFLSA-N 1 3 351.535 3.240 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000370844595 499261379 /nfs/dbraw/zinc/26/13/79/499261379.db2.gz DBUYYOSYXWLBGS-NRFANRHFSA-N 1 3 371.569 3.383 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000370844595 499261381 /nfs/dbraw/zinc/26/13/81/499261381.db2.gz DBUYYOSYXWLBGS-NRFANRHFSA-N 1 3 371.569 3.383 20 0 FGADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000368212644 499274383 /nfs/dbraw/zinc/27/43/83/499274383.db2.gz PHBBSWLIHGPGIX-HBMCJLEFSA-N 1 3 374.525 3.266 20 0 FGADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CC3CCN(C)CC3)CC2)cc1 ZINC000368257905 499279043 /nfs/dbraw/zinc/27/90/43/499279043.db2.gz IDDSUVPLSBTOQQ-UHFFFAOYSA-N 1 3 357.542 3.055 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3cc(F)cc(F)c3)CC2)CC1 ZINC000371064407 499285516 /nfs/dbraw/zinc/28/55/16/499285516.db2.gz SJMGUSVZWHTNAQ-UHFFFAOYSA-N 1 3 351.485 3.251 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000368342316 499287092 /nfs/dbraw/zinc/28/70/92/499287092.db2.gz GILUZRDJAXFNFM-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000368342316 499287094 /nfs/dbraw/zinc/28/70/94/499287094.db2.gz GILUZRDJAXFNFM-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cc(C)cc(OCCCN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368342316 499287096 /nfs/dbraw/zinc/28/70/96/499287096.db2.gz GILUZRDJAXFNFM-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000368354030 499288014 /nfs/dbraw/zinc/28/80/14/499288014.db2.gz GDHFIRNMCCELLZ-BMQTXXJKSA-N 1 3 363.546 3.240 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000368354030 499288016 /nfs/dbraw/zinc/28/80/16/499288016.db2.gz GDHFIRNMCCELLZ-BMQTXXJKSA-N 1 3 363.546 3.240 20 0 FGADHO c1ccc2sc(N3CCC(N[C@@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110534 499289423 /nfs/dbraw/zinc/28/94/23/499289423.db2.gz ZITYZYAJJKQHGJ-SJORKVTESA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC(N[C@@H]4CC[N@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110534 499289425 /nfs/dbraw/zinc/28/94/25/499289425.db2.gz ZITYZYAJJKQHGJ-SJORKVTESA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC([NH2+][C@@H]4CCN5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110534 499289427 /nfs/dbraw/zinc/28/94/27/499289427.db2.gz ZITYZYAJJKQHGJ-SJORKVTESA-N 1 3 356.539 3.482 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1 ZINC000371320365 499309903 /nfs/dbraw/zinc/30/99/03/499309903.db2.gz CDOBQYYEZGSNPG-IBGZPJMESA-N 1 3 355.526 3.085 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000371320365 499309905 /nfs/dbraw/zinc/30/99/05/499309905.db2.gz CDOBQYYEZGSNPG-IBGZPJMESA-N 1 3 355.526 3.085 20 0 FGADHO c1cc(C[C@@H]2CCN(CCC[N@@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772773 499330680 /nfs/dbraw/zinc/33/06/80/499330680.db2.gz ACJIUDOMDVQNNH-ZRZAMGCNSA-N 1 3 364.537 3.296 20 0 FGADHO c1cc(C[C@@H]2CCN(CCC[N@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772773 499330682 /nfs/dbraw/zinc/33/06/82/499330682.db2.gz ACJIUDOMDVQNNH-ZRZAMGCNSA-N 1 3 364.537 3.296 20 0 FGADHO c1cc(C[C@@H]2CC[N@@H+](CCCN3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772773 499330684 /nfs/dbraw/zinc/33/06/84/499330684.db2.gz ACJIUDOMDVQNNH-ZRZAMGCNSA-N 1 3 364.537 3.296 20 0 FGADHO c1cc(C[C@@H]2CC[N@H+](CCCN3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772773 499330686 /nfs/dbraw/zinc/33/06/86/499330686.db2.gz ACJIUDOMDVQNNH-ZRZAMGCNSA-N 1 3 364.537 3.296 20 0 FGADHO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372234384 499411502 /nfs/dbraw/zinc/41/15/02/499411502.db2.gz YCMDHUPDPDAHJU-AZUAARDMSA-N 1 3 352.526 3.262 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202848 499490119 /nfs/dbraw/zinc/49/01/19/499490119.db2.gz OYCRDJZPLQDEER-LJQANCHMSA-N 1 3 357.542 3.055 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000378351550 499505613 /nfs/dbraw/zinc/50/56/13/499505613.db2.gz AGLPHTUHAREKBE-LJQANCHMSA-N 1 3 355.526 3.085 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378351550 499505614 /nfs/dbraw/zinc/50/56/14/499505614.db2.gz AGLPHTUHAREKBE-LJQANCHMSA-N 1 3 355.526 3.085 20 0 FGADHO Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000378440851 499517001 /nfs/dbraw/zinc/51/70/01/499517001.db2.gz CWGYCRREDZLTQM-HKUYNNGSSA-N 1 3 366.509 3.084 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccccc1F ZINC000398001317 499565562 /nfs/dbraw/zinc/56/55/62/499565562.db2.gz WEAWWFCPBMUIQM-YFVAEKQCSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccccc1F ZINC000398001317 499565564 /nfs/dbraw/zinc/56/55/64/499565564.db2.gz WEAWWFCPBMUIQM-YFVAEKQCSA-N 1 3 372.484 3.066 20 0 FGADHO Cn1c2ccccc2nc1CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000376179234 499589091 /nfs/dbraw/zinc/58/90/91/499589091.db2.gz YTMXYBMHTJQAHT-UHFFFAOYSA-N 1 3 363.509 3.359 20 0 FGADHO Cn1c2ccccc2nc1CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000376179234 499589092 /nfs/dbraw/zinc/58/90/92/499589092.db2.gz YTMXYBMHTJQAHT-UHFFFAOYSA-N 1 3 363.509 3.359 20 0 FGADHO Cc1ccccc1NC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000376738190 499633408 /nfs/dbraw/zinc/63/34/08/499633408.db2.gz CVCZYGBIRFXPJG-UHFFFAOYSA-N 1 3 358.574 3.287 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307405 499678523 /nfs/dbraw/zinc/67/85/23/499678523.db2.gz IOTBCMVOHVLUNK-YLJYHZDGSA-N 1 3 353.510 3.136 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307405 499678524 /nfs/dbraw/zinc/67/85/24/499678524.db2.gz IOTBCMVOHVLUNK-YLJYHZDGSA-N 1 3 353.510 3.136 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377320074 499679594 /nfs/dbraw/zinc/67/95/94/499679594.db2.gz GSEONSPDRFIWBY-KSEOMHKRSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377320074 499679596 /nfs/dbraw/zinc/67/95/96/499679596.db2.gz GSEONSPDRFIWBY-KSEOMHKRSA-N 1 3 363.505 3.123 20 0 FGADHO COc1ccc(O)cc1[C@@H](C)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377642729 499714401 /nfs/dbraw/zinc/71/44/01/499714401.db2.gz CBRVGBLZQVPNEU-QGZVFWFLSA-N 1 3 361.530 3.002 20 0 FGADHO c1cn(C[C@@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399970 499734539 /nfs/dbraw/zinc/73/45/39/499734539.db2.gz SMYUFQZUICBMTE-OAQYLSRUSA-N 1 3 353.514 3.176 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000411566247 499763924 /nfs/dbraw/zinc/76/39/24/499763924.db2.gz ZEKVUTOWETYGEQ-IBGZPJMESA-N 1 3 371.569 3.466 20 0 FGADHO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000414190746 499767208 /nfs/dbraw/zinc/76/72/08/499767208.db2.gz ROACXSQFOLQZKL-APWZRJJASA-N 1 3 354.494 3.454 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000414191203 499767483 /nfs/dbraw/zinc/76/74/83/499767483.db2.gz LETOUYXTDGBJPJ-IBGZPJMESA-N 1 3 373.585 3.431 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc2ccccc21 ZINC000414195234 499767943 /nfs/dbraw/zinc/76/79/43/499767943.db2.gz NWAPGIQTGATIAB-IBGZPJMESA-N 1 3 367.537 3.287 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334072 499778493 /nfs/dbraw/zinc/77/84/93/499778493.db2.gz GBHQNMFRHMNUKG-CTNGQTDRSA-N 1 3 357.542 3.442 20 0 FGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414342938 499779271 /nfs/dbraw/zinc/77/92/71/499779271.db2.gz PVFIZMNKHWAHLG-UXHICEINSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414349236 499780041 /nfs/dbraw/zinc/78/00/41/499780041.db2.gz YEWFHTAODFBSLY-NRFANRHFSA-N 1 3 357.542 3.442 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000414394081 499785803 /nfs/dbraw/zinc/78/58/03/499785803.db2.gz OVNDSTKPBVXNCW-IAGOWNOFSA-N 1 3 374.504 3.299 20 0 FGADHO CC(C)C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414490810 499798837 /nfs/dbraw/zinc/79/88/37/499798837.db2.gz XXUSJSZEPBCUEN-JOCHJYFZSA-N 1 3 373.585 3.203 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414558565 499809031 /nfs/dbraw/zinc/80/90/31/499809031.db2.gz SLYASXMURWYHRE-GOSISDBHSA-N 1 3 365.521 3.277 20 0 FGADHO COCCN(Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414753805 499826850 /nfs/dbraw/zinc/82/68/50/499826850.db2.gz FEQCWPNSPINWBW-QWHCGFSZSA-N 1 3 361.349 3.347 20 0 FGADHO COc1ccc(Br)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788507 499831484 /nfs/dbraw/zinc/83/14/84/499831484.db2.gz WTVPPHCUVHPUAR-KBPBESRZSA-N 1 3 353.304 3.279 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C[NH3+])C1CC1 ZINC000414805880 499833145 /nfs/dbraw/zinc/83/31/45/499833145.db2.gz PXNSVCKJOHAIIP-YMTOWFKASA-N 1 3 363.811 3.403 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414806444 499833231 /nfs/dbraw/zinc/83/32/31/499833231.db2.gz BSZGTJUTGPVBHU-LSDHHAIUSA-N 1 3 371.481 3.230 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886220 499841536 /nfs/dbraw/zinc/84/15/36/499841536.db2.gz VPXHKGHEUUGAGM-RJGXRXQPSA-N 1 3 364.537 3.062 20 0 FGADHO [NH3+]C[C@@H](NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945699 499847508 /nfs/dbraw/zinc/84/75/08/499847508.db2.gz RYEPHFWIISRWCV-HSZRJFAPSA-N 1 3 360.505 3.489 20 0 FGADHO NC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945699 499847509 /nfs/dbraw/zinc/84/75/09/499847509.db2.gz RYEPHFWIISRWCV-HSZRJFAPSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000573287989 506161729 /nfs/dbraw/zinc/16/17/29/506161729.db2.gz GGMJOECHFFPCNP-QAPCUYQASA-N 1 3 358.448 3.491 20 0 FGADHO COc1cc(Br)c(CNCCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414982728 499851348 /nfs/dbraw/zinc/85/13/48/499851348.db2.gz YZZCVEWANQYTBJ-CYBMUJFWSA-N 1 3 357.292 3.088 20 0 FGADHO c1ccc([C@@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091541 499862512 /nfs/dbraw/zinc/86/25/12/499862512.db2.gz QQSIYCACODWEDC-XPWALMASSA-N 1 3 365.521 3.143 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116389 499865662 /nfs/dbraw/zinc/86/56/62/499865662.db2.gz YAKVQEAINUJMDC-WMZOPIPTSA-N 1 3 372.431 3.346 20 0 FGADHO CC(C)C[C@@H](N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000415132073 499868452 /nfs/dbraw/zinc/86/84/52/499868452.db2.gz AATPPAXABGGTRC-QGZVFWFLSA-N 1 3 368.363 3.377 20 0 FGADHO CC(C)C[C@@H]([NH3+])CNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000415132073 499868453 /nfs/dbraw/zinc/86/84/53/499868453.db2.gz AATPPAXABGGTRC-QGZVFWFLSA-N 1 3 368.363 3.377 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415580770 499903744 /nfs/dbraw/zinc/90/37/44/499903744.db2.gz RRICSBJMJFGCPO-LJQANCHMSA-N 1 3 358.530 3.033 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415883502 499923952 /nfs/dbraw/zinc/92/39/52/499923952.db2.gz NRPDCDKMDVQFLH-YLJYHZDGSA-N 1 3 358.530 3.354 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000415913635 499927723 /nfs/dbraw/zinc/92/77/23/499927723.db2.gz QBTSJRDWLQCZNT-QFBILLFUSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000415937845 499930762 /nfs/dbraw/zinc/93/07/62/499930762.db2.gz ZIMSMRABXJHCSG-UHFFFAOYSA-N 1 3 360.527 3.453 20 0 FGADHO NCc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415950502 499932532 /nfs/dbraw/zinc/93/25/32/499932532.db2.gz DOKWUIMNXMEFFP-CYBMUJFWSA-N 1 3 370.419 3.114 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949488 499932545 /nfs/dbraw/zinc/93/25/45/499932545.db2.gz BZMVJRYYFNALIX-CYBMUJFWSA-N 1 3 372.435 3.264 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949488 499932547 /nfs/dbraw/zinc/93/25/47/499932547.db2.gz BZMVJRYYFNALIX-CYBMUJFWSA-N 1 3 372.435 3.264 20 0 FGADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415970959 499935263 /nfs/dbraw/zinc/93/52/63/499935263.db2.gz MDJNNKOYACLZLJ-LRDDRELGSA-N 1 3 370.419 3.255 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974734 499936066 /nfs/dbraw/zinc/93/60/66/499936066.db2.gz SASZXYVMFRPRGL-ABAIWWIYSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974734 499936067 /nfs/dbraw/zinc/93/60/67/499936067.db2.gz SASZXYVMFRPRGL-ABAIWWIYSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCN1C ZINC000415974734 499936068 /nfs/dbraw/zinc/93/60/68/499936068.db2.gz SASZXYVMFRPRGL-ABAIWWIYSA-N 1 3 358.408 3.111 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371670 500029888 /nfs/dbraw/zinc/02/98/88/500029888.db2.gz KCWMZCRGGGFGJD-HYXAFXHYSA-N 1 3 363.496 3.470 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000417311984 500036321 /nfs/dbraw/zinc/03/63/21/500036321.db2.gz MWSYFIGNXVWXKU-JXFKEZNVSA-N 1 3 354.498 3.117 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417392929 500058840 /nfs/dbraw/zinc/05/88/40/500058840.db2.gz NWSGBZFDPMQBRU-HXUWFJFHSA-N 1 3 360.546 3.374 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429437277 500078293 /nfs/dbraw/zinc/07/82/93/500078293.db2.gz NHDLMNAZJUYTHC-FQEVSTJZSA-N 1 3 361.599 3.457 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000573346460 506177036 /nfs/dbraw/zinc/17/70/36/506177036.db2.gz YHPYQDVEDQBOHC-OAQYLSRUSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000416795426 500122314 /nfs/dbraw/zinc/12/23/14/500122314.db2.gz SWZPCEHSQKINMS-KRWDZBQOSA-N 1 3 366.509 3.170 20 0 FGADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416795864 500122928 /nfs/dbraw/zinc/12/29/28/500122928.db2.gz UYYGBGDQYKYKQM-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000416844452 500136252 /nfs/dbraw/zinc/13/62/52/500136252.db2.gz PZMWCNFCEUFZMI-VQTJNVASSA-N 1 3 354.498 3.069 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000414077292 500147686 /nfs/dbraw/zinc/14/76/86/500147686.db2.gz PSUQAXZGMSNGNY-QGZVFWFLSA-N 1 3 368.525 3.401 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417686441 500148765 /nfs/dbraw/zinc/14/87/65/500148765.db2.gz GLIZCQNMWRQUDV-LMMKCTJWSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414088598 500150502 /nfs/dbraw/zinc/15/05/02/500150502.db2.gz CBCJYSBCQPBZPD-GOSISDBHSA-N 1 3 356.514 3.142 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417698275 500151561 /nfs/dbraw/zinc/15/15/61/500151561.db2.gz XGYTVFSLPJZXSZ-OXQOHEQNSA-N 1 3 358.530 3.029 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000416902887 500152001 /nfs/dbraw/zinc/15/20/01/500152001.db2.gz MJOXGTZRSPYLKY-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702896 500152505 /nfs/dbraw/zinc/15/25/05/500152505.db2.gz JEOLDPDOYQXRIN-UYAOXDASSA-N 1 3 358.530 3.126 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702896 500152511 /nfs/dbraw/zinc/15/25/11/500152511.db2.gz JEOLDPDOYQXRIN-UYAOXDASSA-N 1 3 358.530 3.126 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000417021726 500185954 /nfs/dbraw/zinc/18/59/54/500185954.db2.gz KBAQFFLBYFZFSC-UWJYYQICSA-N 1 3 366.509 3.343 20 0 FGADHO CN(C)C(=O)c1ccccc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000417884983 500191925 /nfs/dbraw/zinc/19/19/25/500191925.db2.gz GIKWLWYDZRGRJG-UHFFFAOYSA-N 1 3 371.550 3.452 20 0 FGADHO c1c(CNCCCCOCCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425903016 500210640 /nfs/dbraw/zinc/21/06/40/500210640.db2.gz VAOWDYWAWOQNEH-UHFFFAOYSA-N 1 3 357.498 3.271 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000418171359 500242041 /nfs/dbraw/zinc/24/20/41/500242041.db2.gz UPYFGCIDNWVJPK-MPGHIAIKSA-N 1 3 358.486 3.228 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192421 500246729 /nfs/dbraw/zinc/24/67/29/500246729.db2.gz YRBXTEAUXYKWML-BMGDILEWSA-N 1 3 366.937 3.102 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(CC)CC)cc1 ZINC000418214899 500250211 /nfs/dbraw/zinc/25/02/11/500250211.db2.gz MIVHRRCMSQTLJH-LAUBAEHRSA-N 1 3 374.573 3.401 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000418459880 500279627 /nfs/dbraw/zinc/27/96/27/500279627.db2.gz JHRYCKJDKNLBGD-MRXNPFEDSA-N 1 3 372.488 3.119 20 0 FGADHO C[C@@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418519275 500287295 /nfs/dbraw/zinc/28/72/95/500287295.db2.gz GGTDJANHPVXFKH-FXAWDEMLSA-N 1 3 372.557 3.056 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714061 500288626 /nfs/dbraw/zinc/28/86/26/500288626.db2.gz QNVJUEXPQHSYRE-SJBKTWHCSA-N 1 3 369.484 3.274 20 0 FGADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736293 500292273 /nfs/dbraw/zinc/29/22/73/500292273.db2.gz VUVLQNIODFKCJZ-HLLQZAQXSA-N 1 3 366.465 3.084 20 0 FGADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736292 500292445 /nfs/dbraw/zinc/29/24/45/500292445.db2.gz VUVLQNIODFKCJZ-FIKMYACPSA-N 1 3 366.465 3.084 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753353 500294302 /nfs/dbraw/zinc/29/43/02/500294302.db2.gz CEJXZDJQDZPEFB-CXAGYDPISA-N 1 3 354.441 3.327 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772290 500295912 /nfs/dbraw/zinc/29/59/12/500295912.db2.gz WPODFTCIQYHVDF-WIYYLYMNSA-N 1 3 357.542 3.439 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418612767 500296462 /nfs/dbraw/zinc/29/64/62/500296462.db2.gz VYJGGFNEHVTSCS-TYPHKJRUSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798928 500299119 /nfs/dbraw/zinc/29/91/19/500299119.db2.gz UHGHQJREQTUIID-JSGCOSHPSA-N 1 3 365.880 3.143 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797887 500299314 /nfs/dbraw/zinc/29/93/14/500299314.db2.gz OWSLNFNJBYVTBP-YXUGBTPSSA-N 1 3 354.897 3.140 20 0 FGADHO CC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCc2ccccc2C1 ZINC000422813406 500301101 /nfs/dbraw/zinc/30/11/01/500301101.db2.gz YCQCLGHTELJRDY-CDNPAEQRSA-N 1 3 351.538 3.371 20 0 FGADHO CC[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422813406 500301103 /nfs/dbraw/zinc/30/11/03/500301103.db2.gz YCQCLGHTELJRDY-CDNPAEQRSA-N 1 3 351.538 3.371 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccccc1 ZINC000418678284 500306598 /nfs/dbraw/zinc/30/65/98/500306598.db2.gz SLGGANNHISTCRI-WOJBJXKFSA-N 1 3 358.530 3.127 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430929043 500308301 /nfs/dbraw/zinc/30/83/01/500308301.db2.gz NAPZMFGIDKZFFL-SFHVURJKSA-N 1 3 364.917 3.473 20 0 FGADHO C[C@@H](CCCC[NH3+])N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878602 500309859 /nfs/dbraw/zinc/30/98/59/500309859.db2.gz JIMRNPWBTBFSKS-WMLDXEAASA-N 1 3 371.447 3.476 20 0 FGADHO c1ccc2cc(OCCCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422883923 500310255 /nfs/dbraw/zinc/31/02/55/500310255.db2.gz DGVOQNRIIHYSRO-YPAWHYETSA-N 1 3 354.494 3.355 20 0 FGADHO COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893392 500312628 /nfs/dbraw/zinc/31/26/28/500312628.db2.gz QIAXZTGQJWUZQG-GJZGRUSLSA-N 1 3 373.497 3.294 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909315 500315302 /nfs/dbraw/zinc/31/53/02/500315302.db2.gz FPNQMLKJAGLWNO-HZPDHXFCSA-N 1 3 372.513 3.028 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000422916528 500316544 /nfs/dbraw/zinc/31/65/44/500316544.db2.gz DJQJYNJRJCFZNJ-XLIONFOSSA-N 1 3 372.557 3.107 20 0 FGADHO CCOC(=O)C1([C@H](C)NC2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422939508 500320283 /nfs/dbraw/zinc/32/02/83/500320283.db2.gz FYNSWIZYLDKXEG-AWEZNQCLSA-N 1 3 350.890 3.240 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000422949026 500321535 /nfs/dbraw/zinc/32/15/35/500321535.db2.gz UCPGXABKMJHISJ-GFCCVEGCSA-N 1 3 364.287 3.341 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000431012966 500322594 /nfs/dbraw/zinc/32/25/94/500322594.db2.gz HGJXARHTXQSIGT-ZWKOTPCHSA-N 1 3 369.553 3.207 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423027510 500332376 /nfs/dbraw/zinc/33/23/76/500332376.db2.gz DJCFWEINIFISLQ-ZDUSSCGKSA-N 1 3 369.444 3.321 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)[C@@H]3CCCCN3)nc12 ZINC000423038249 500333942 /nfs/dbraw/zinc/33/39/42/500333942.db2.gz ODMQMOLOUISWOD-BBRMVZONSA-N 1 3 365.319 3.068 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423044379 500334346 /nfs/dbraw/zinc/33/43/46/500334346.db2.gz AKWANZXEGIECGO-GDBMZVCRSA-N 1 3 359.436 3.466 20 0 FGADHO Fc1cc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047406 500334998 /nfs/dbraw/zinc/33/49/98/500334998.db2.gz VEEYHYFZOMAXHI-PXNSSMCTSA-N 1 3 362.395 3.492 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC3 ZINC000423050269 500335820 /nfs/dbraw/zinc/33/58/20/500335820.db2.gz YTDBINWWKPADKG-TWSMVNEUSA-N 1 3 353.510 3.080 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2c(Cl)cccc2C1 ZINC000423062275 500337443 /nfs/dbraw/zinc/33/74/43/500337443.db2.gz SUCULUOWKFJOSN-HRAATJIYSA-N 1 3 357.929 3.246 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423063274 500337616 /nfs/dbraw/zinc/33/76/16/500337616.db2.gz ONLOFOFCJRHQDQ-CDNPAEQRSA-N 1 3 351.538 3.445 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000423092658 500341103 /nfs/dbraw/zinc/34/11/03/500341103.db2.gz CVGUMCWMADTYSE-XQQFMLRXSA-N 1 3 360.283 3.328 20 0 FGADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136766 500347149 /nfs/dbraw/zinc/34/71/49/500347149.db2.gz ZHOOESGEJQZFIN-AFXVXQJMSA-N 1 3 373.585 3.235 20 0 FGADHO OC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134601 500347499 /nfs/dbraw/zinc/34/74/99/500347499.db2.gz XBQRPUJJKUWUSX-PAXLWEDBSA-N 1 3 372.896 3.261 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000423149328 500348278 /nfs/dbraw/zinc/34/82/78/500348278.db2.gz HHIKFBPOPMIAIB-SJORKVTESA-N 1 3 350.503 3.285 20 0 FGADHO CC[C@H](COCC(F)(F)F)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148388 500348652 /nfs/dbraw/zinc/34/86/52/500348652.db2.gz VMDKEARMZXASDG-FRFSOERESA-N 1 3 358.404 3.189 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423184705 500352779 /nfs/dbraw/zinc/35/27/79/500352779.db2.gz IMLIEJPEAAINNM-KRWDZBQOSA-N 1 3 369.513 3.442 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423205992 500354582 /nfs/dbraw/zinc/35/45/82/500354582.db2.gz WQCWBXMFWHFLCT-HNNXBMFYSA-N 1 3 353.532 3.151 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CCN(C)CC2)[NH+](CC)CC)cc1 ZINC000431301760 500360820 /nfs/dbraw/zinc/36/08/20/500360820.db2.gz WQAFPTABFOEGGN-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CC[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)N1CCc2ccccc2C1 ZINC000423336796 500365409 /nfs/dbraw/zinc/36/54/09/500365409.db2.gz VDIORTDBBYNOAF-IERDGZPVSA-N 1 3 351.494 3.273 20 0 FGADHO C[C@H]1C[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384172 500368961 /nfs/dbraw/zinc/36/89/61/500368961.db2.gz JXTDRPXPUKBSFT-DRZSPHRISA-N 1 3 365.490 3.099 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403716 500371311 /nfs/dbraw/zinc/37/13/11/500371311.db2.gz ZKNDVUBIQUKUAD-KDOFPFPSSA-N 1 3 351.416 3.327 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000423428311 500373662 /nfs/dbraw/zinc/37/36/62/500373662.db2.gz OJYBQNTXNVJHKU-INIZCTEOSA-N 1 3 361.555 3.188 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000423492418 500378870 /nfs/dbraw/zinc/37/88/70/500378870.db2.gz MZJHIJVNURZSRJ-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512033 500380698 /nfs/dbraw/zinc/38/06/98/500380698.db2.gz UFVWUWJWCDHHBK-RDTXWAMCSA-N 1 3 364.486 3.360 20 0 FGADHO CC(=O)NCCc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512497 500381291 /nfs/dbraw/zinc/38/12/91/500381291.db2.gz USSQNQALQMQGJX-VGSWGCGISA-N 1 3 353.510 3.496 20 0 FGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515207 500381295 /nfs/dbraw/zinc/38/12/95/500381295.db2.gz XDKOXUGESOEQRR-BEFAXECRSA-N 1 3 361.511 3.189 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423769508 500400318 /nfs/dbraw/zinc/40/03/18/500400318.db2.gz CJXZIJUDZSPSBZ-JRGCBEDISA-N 1 3 365.521 3.349 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000423837061 500409466 /nfs/dbraw/zinc/40/94/66/500409466.db2.gz GNCGINCKJXAMQD-PXNSSMCTSA-N 1 3 358.530 3.063 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000431852268 500434362 /nfs/dbraw/zinc/43/43/62/500434362.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000431852268 500434363 /nfs/dbraw/zinc/43/43/63/500434363.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 1 3 357.542 3.420 20 0 FGADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300645 500436380 /nfs/dbraw/zinc/43/63/80/500436380.db2.gz VBWHJEOBZBMCJX-FXAWDEMLSA-N 1 3 357.523 3.157 20 0 FGADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300645 500436382 /nfs/dbraw/zinc/43/63/82/500436382.db2.gz VBWHJEOBZBMCJX-FXAWDEMLSA-N 1 3 357.523 3.157 20 0 FGADHO [NH3+]C[C@H]1CN(CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339901 500444464 /nfs/dbraw/zinc/44/44/64/500444464.db2.gz ZIBMYWNDWNVZGM-FQEVSTJZSA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339901 500444468 /nfs/dbraw/zinc/44/44/68/500444468.db2.gz ZIBMYWNDWNVZGM-FQEVSTJZSA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339901 500444472 /nfs/dbraw/zinc/44/44/72/500444472.db2.gz ZIBMYWNDWNVZGM-FQEVSTJZSA-N 1 3 354.494 3.296 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1 ZINC000424069276 500447273 /nfs/dbraw/zinc/44/72/73/500447273.db2.gz BNCBBUQTFQFJTK-FQEVSTJZSA-N 1 3 351.494 3.449 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1 ZINC000424069276 500447274 /nfs/dbraw/zinc/44/72/74/500447274.db2.gz BNCBBUQTFQFJTK-FQEVSTJZSA-N 1 3 351.494 3.449 20 0 FGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376283 500449969 /nfs/dbraw/zinc/44/99/69/500449969.db2.gz JUFUQFYBOUGSJM-WBMJQRKESA-N 1 3 353.392 3.154 20 0 FGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376283 500449973 /nfs/dbraw/zinc/44/99/73/500449973.db2.gz JUFUQFYBOUGSJM-WBMJQRKESA-N 1 3 353.392 3.154 20 0 FGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376280 500450559 /nfs/dbraw/zinc/45/05/59/500450559.db2.gz JUFUQFYBOUGSJM-MLGOLLRUSA-N 1 3 353.392 3.154 20 0 FGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376280 500450563 /nfs/dbraw/zinc/45/05/63/500450563.db2.gz JUFUQFYBOUGSJM-MLGOLLRUSA-N 1 3 353.392 3.154 20 0 FGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420384096 500452684 /nfs/dbraw/zinc/45/26/84/500452684.db2.gz RJMYFUMZXGUFBU-IBGZPJMESA-N 1 3 355.530 3.488 20 0 FGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420384096 500452687 /nfs/dbraw/zinc/45/26/87/500452687.db2.gz RJMYFUMZXGUFBU-IBGZPJMESA-N 1 3 355.530 3.488 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000420421872 500458252 /nfs/dbraw/zinc/45/82/52/500458252.db2.gz YWZPXUZYSFAXHG-UCNVEGJOSA-N 1 3 354.494 3.495 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283724 500481025 /nfs/dbraw/zinc/48/10/25/500481025.db2.gz BSCNMKFEGWGSRO-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309165 500484711 /nfs/dbraw/zinc/48/47/11/500484711.db2.gz HZOHQHAWEUNZHY-CVEARBPZSA-N 1 3 353.938 3.273 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000424429840 500503912 /nfs/dbraw/zinc/50/39/12/500503912.db2.gz XWSSVILNYIPRCQ-NRFANRHFSA-N 1 3 366.509 3.486 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3OC(C)C)CC2)CC1 ZINC000420985911 500548224 /nfs/dbraw/zinc/54/82/24/500548224.db2.gz XEMPERLUNYFPIK-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593975 500602612 /nfs/dbraw/zinc/60/26/12/500602612.db2.gz KAZLKAZFSRWKIN-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593975 500602613 /nfs/dbraw/zinc/60/26/13/500602613.db2.gz KAZLKAZFSRWKIN-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000442712904 500613589 /nfs/dbraw/zinc/61/35/89/500613589.db2.gz HQJULAOKBSMRNT-UHFFFAOYSA-N 1 3 351.485 3.348 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720237 500614382 /nfs/dbraw/zinc/61/43/82/500614382.db2.gz SUGGKYGNOZDCMA-FQEVSTJZSA-N 1 3 374.532 3.172 20 0 FGADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443054793 500669423 /nfs/dbraw/zinc/66/94/23/500669423.db2.gz AEOWYGDTVSUUBV-RBUKOAKNSA-N 1 3 365.521 3.342 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC000433315205 500669848 /nfs/dbraw/zinc/66/98/48/500669848.db2.gz DHPMTEPTSLTWLH-FQEVSTJZSA-N 1 3 357.498 3.171 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068988 500674625 /nfs/dbraw/zinc/67/46/25/500674625.db2.gz JCZYCQUZCPRHJL-OKZBNKHCSA-N 1 3 353.510 3.466 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000448204732 500733007 /nfs/dbraw/zinc/73/30/07/500733007.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 1 3 374.573 3.176 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000448204732 500733008 /nfs/dbraw/zinc/73/30/08/500733008.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 1 3 374.573 3.176 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443588246 500742566 /nfs/dbraw/zinc/74/25/66/500742566.db2.gz HYEVAUFDUXYLAY-OAQYLSRUSA-N 1 3 360.542 3.323 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000443687633 500755859 /nfs/dbraw/zinc/75/58/59/500755859.db2.gz RVSSYAWHVFJZDX-SFHVURJKSA-N 1 3 362.562 3.045 20 0 FGADHO C[C@H](CNCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063301 500915106 /nfs/dbraw/zinc/91/51/06/500915106.db2.gz OVCHPXCWHAKIJN-IAGOWNOFSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](CNCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063301 500915107 /nfs/dbraw/zinc/91/51/07/500915107.db2.gz OVCHPXCWHAKIJN-IAGOWNOFSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](C[NH2+]CCCN1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063301 500915110 /nfs/dbraw/zinc/91/51/10/500915110.db2.gz OVCHPXCWHAKIJN-IAGOWNOFSA-N 1 3 352.544 3.048 20 0 FGADHO Cc1nn(C)c(C)c1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449069487 500916289 /nfs/dbraw/zinc/91/62/89/500916289.db2.gz XJOFOKBWOGGOES-QGZVFWFLSA-N 1 3 354.542 3.265 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(OCCO)cc2)CC1 ZINC000449132191 500932084 /nfs/dbraw/zinc/93/20/84/500932084.db2.gz SOBDWFNUVUNJTR-IBGZPJMESA-N 1 3 368.521 3.243 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(OCCO)cc2)CC1 ZINC000449132192 500932094 /nfs/dbraw/zinc/93/20/94/500932094.db2.gz SOBDWFNUVUNJTR-LJQANCHMSA-N 1 3 368.521 3.243 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000449174878 500941357 /nfs/dbraw/zinc/94/13/57/500941357.db2.gz NKPIMKISAMDIRB-LJQANCHMSA-N 1 3 360.546 3.180 20 0 FGADHO C[C@@H](CCN1CCOCC1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449225397 500951706 /nfs/dbraw/zinc/95/17/06/500951706.db2.gz OIIQPEUPVFTWQP-SFHVURJKSA-N 1 3 353.595 3.366 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439965194 500960645 /nfs/dbraw/zinc/96/06/45/500960645.db2.gz ZUDYZLIZKOXDSW-SFTDATJTSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439965194 500960647 /nfs/dbraw/zinc/96/06/47/500960647.db2.gz ZUDYZLIZKOXDSW-SFTDATJTSA-N 1 3 355.526 3.174 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435379059 500963873 /nfs/dbraw/zinc/96/38/73/500963873.db2.gz LACFJTBZUHCXIJ-QGZVFWFLSA-N 1 3 372.465 3.192 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383763 500964564 /nfs/dbraw/zinc/96/45/64/500964564.db2.gz JSWMQVSZIAQCTE-UKRRQHHQSA-N 1 3 352.404 3.450 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(I)cc1 ZINC000449330229 500979702 /nfs/dbraw/zinc/97/97/02/500979702.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(I)cc1 ZINC000449330229 500979707 /nfs/dbraw/zinc/97/97/07/500979707.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 1 3 358.267 3.063 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548440 501030534 /nfs/dbraw/zinc/03/05/34/501030534.db2.gz NHYRWEMDCXTTIW-YESZJQIVSA-N 1 3 372.463 3.360 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@H]2CC[N@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548440 501030537 /nfs/dbraw/zinc/03/05/37/501030537.db2.gz NHYRWEMDCXTTIW-YESZJQIVSA-N 1 3 372.463 3.360 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449681991 501061559 /nfs/dbraw/zinc/06/15/59/501061559.db2.gz FOFMGLURMKCNJK-QFIPXVFZSA-N 1 3 357.542 3.221 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449681991 501061561 /nfs/dbraw/zinc/06/15/61/501061561.db2.gz FOFMGLURMKCNJK-QFIPXVFZSA-N 1 3 357.542 3.221 20 0 FGADHO CCc1ccc2nccc(N3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422685 501118260 /nfs/dbraw/zinc/11/82/60/501118260.db2.gz VPEQNDIKYFYMQK-QGZVFWFLSA-N 1 3 352.526 3.402 20 0 FGADHO CCc1ccc2nccc(N3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422685 501118262 /nfs/dbraw/zinc/11/82/62/501118262.db2.gz VPEQNDIKYFYMQK-QGZVFWFLSA-N 1 3 352.526 3.402 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000441367104 501128322 /nfs/dbraw/zinc/12/83/22/501128322.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 1 3 357.542 3.377 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000441367104 501128324 /nfs/dbraw/zinc/12/83/24/501128324.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 1 3 357.542 3.377 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1(C)C ZINC000441371636 501129056 /nfs/dbraw/zinc/12/90/56/501129056.db2.gz MSJHNDWSFNZRKT-UHFFFAOYSA-N 1 3 363.855 3.474 20 0 FGADHO CCC1([NH2+]CC(=O)NC2CCN(Cc3ccccc3C)CC2)CCCC1 ZINC000451279170 501257021 /nfs/dbraw/zinc/25/70/21/501257021.db2.gz WIKHVHYODRNDDB-UHFFFAOYSA-N 1 3 357.542 3.388 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000451323649 501264821 /nfs/dbraw/zinc/26/48/21/501264821.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000451323649 501264822 /nfs/dbraw/zinc/26/48/22/501264822.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 1 3 369.553 3.422 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148064 501279506 /nfs/dbraw/zinc/27/95/06/501279506.db2.gz QRPIFLDPVXDVHJ-HKBOAZHASA-N 1 3 365.525 3.188 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148064 501279509 /nfs/dbraw/zinc/27/95/09/501279509.db2.gz QRPIFLDPVXDVHJ-HKBOAZHASA-N 1 3 365.525 3.188 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453153533 501280625 /nfs/dbraw/zinc/28/06/25/501280625.db2.gz VFPKNHGVKDDFBW-UWHLTILDSA-N 1 3 355.526 3.030 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453153533 501280627 /nfs/dbraw/zinc/28/06/27/501280627.db2.gz VFPKNHGVKDDFBW-UWHLTILDSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCN[C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160800 501281956 /nfs/dbraw/zinc/28/19/56/501281956.db2.gz IANIGVVBJCDPIG-OPYAIIAOSA-N 1 3 368.525 3.127 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207930 501291401 /nfs/dbraw/zinc/29/14/01/501291401.db2.gz BYDNDIJXIDSGER-AZUAARDMSA-N 1 3 352.478 3.110 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207930 501291403 /nfs/dbraw/zinc/29/14/03/501291403.db2.gz BYDNDIJXIDSGER-AZUAARDMSA-N 1 3 352.478 3.110 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453587860 501354980 /nfs/dbraw/zinc/35/49/80/501354980.db2.gz LIQGDZAFAZRTRK-CYBMUJFWSA-N 1 3 374.392 3.182 20 0 FGADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456680689 501575502 /nfs/dbraw/zinc/57/55/02/501575502.db2.gz FWCOKZTUKCYXGF-SFHVURJKSA-N 1 3 373.516 3.171 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619989 501593926 /nfs/dbraw/zinc/59/39/26/501593926.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619989 501593929 /nfs/dbraw/zinc/59/39/29/501593929.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000588291735 506263045 /nfs/dbraw/zinc/26/30/45/506263045.db2.gz UEHDPNDLVJHUCG-FQEVSTJZSA-N 1 3 360.546 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000588291735 506263049 /nfs/dbraw/zinc/26/30/49/506263049.db2.gz UEHDPNDLVJHUCG-FQEVSTJZSA-N 1 3 360.546 3.161 20 0 FGADHO CCOCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030714 501604692 /nfs/dbraw/zinc/60/46/92/501604692.db2.gz YQSDJPKJJIMTES-YADHBBJMSA-N 1 3 374.569 3.397 20 0 FGADHO CCOCC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030714 501604694 /nfs/dbraw/zinc/60/46/94/501604694.db2.gz YQSDJPKJJIMTES-YADHBBJMSA-N 1 3 374.569 3.397 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459267038 501621874 /nfs/dbraw/zinc/62/18/74/501621874.db2.gz QKPLCUPGLCYUSM-GOSISDBHSA-N 1 3 360.546 3.012 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459267038 501621876 /nfs/dbraw/zinc/62/18/76/501621876.db2.gz QKPLCUPGLCYUSM-GOSISDBHSA-N 1 3 360.546 3.012 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459270011 501622687 /nfs/dbraw/zinc/62/26/87/501622687.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459270011 501622689 /nfs/dbraw/zinc/62/26/89/501622689.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO c1cc(N2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)ccn1 ZINC000459450122 501655909 /nfs/dbraw/zinc/65/59/09/501655909.db2.gz YEJBCBYDHPQULW-UHFFFAOYSA-N 1 3 353.466 3.044 20 0 FGADHO c1ccc2c(c1)[nH+]ccc2N1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000459484694 501661632 /nfs/dbraw/zinc/66/16/32/501661632.db2.gz QIJPTIOBLRENJQ-OAQYLSRUSA-N 1 3 355.482 3.290 20 0 FGADHO O=C(C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)N1CCC1 ZINC000459540455 501672975 /nfs/dbraw/zinc/67/29/75/501672975.db2.gz YLCRPFQYZAPABK-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO O=C(C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)N1CCC1 ZINC000459540455 501672977 /nfs/dbraw/zinc/67/29/77/501672977.db2.gz YLCRPFQYZAPABK-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678641 501697682 /nfs/dbraw/zinc/69/76/82/501697682.db2.gz RWQOOYXNWMQSDB-SFTDATJTSA-N 1 3 357.542 3.244 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457477325 501706550 /nfs/dbraw/zinc/70/65/50/501706550.db2.gz BKWWNINUHIRWGW-MRXNPFEDSA-N 1 3 364.559 3.059 20 0 FGADHO CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(Br)c1[O-] ZINC000459791711 501714649 /nfs/dbraw/zinc/71/46/49/501714649.db2.gz RPMCUKNIRBYAAA-CYBMUJFWSA-N 1 3 371.319 3.375 20 0 FGADHO CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Br)c1[O-] ZINC000459791711 501714650 /nfs/dbraw/zinc/71/46/50/501714650.db2.gz RPMCUKNIRBYAAA-CYBMUJFWSA-N 1 3 371.319 3.375 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603052 501739505 /nfs/dbraw/zinc/73/95/05/501739505.db2.gz SAZSSKJTXLBWRD-SJORKVTESA-N 1 3 371.447 3.299 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603052 501739506 /nfs/dbraw/zinc/73/95/06/501739506.db2.gz SAZSSKJTXLBWRD-SJORKVTESA-N 1 3 371.447 3.299 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630738 501836562 /nfs/dbraw/zinc/83/65/62/501836562.db2.gz SADHHAAWJXNZTC-MOPGFXCFSA-N 1 3 365.949 3.033 20 0 FGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000474464489 501844439 /nfs/dbraw/zinc/84/44/39/501844439.db2.gz POTKKULXSZNUDL-VXKWHMMOSA-N 1 3 359.558 3.119 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000471014055 501891845 /nfs/dbraw/zinc/89/18/45/501891845.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 1 3 374.488 3.343 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000471014055 501891850 /nfs/dbraw/zinc/89/18/50/501891850.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 1 3 374.488 3.343 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000482113466 501978250 /nfs/dbraw/zinc/97/82/50/501978250.db2.gz JEERMVYCROUYMY-JOCHJYFZSA-N 1 3 368.525 3.343 20 0 FGADHO c1cc2c(s1)CCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482121812 501981351 /nfs/dbraw/zinc/98/13/51/501981351.db2.gz OMIYPBVKMAZERH-LJQANCHMSA-N 1 3 356.539 3.322 20 0 FGADHO CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475018439 502022800 /nfs/dbraw/zinc/02/28/00/502022800.db2.gz UZSMOBIMQHMYMZ-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000461267404 502058098 /nfs/dbraw/zinc/05/80/98/502058098.db2.gz SFBZTMMROXEFED-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000461267404 502058104 /nfs/dbraw/zinc/05/81/04/502058104.db2.gz SFBZTMMROXEFED-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127662 502070066 /nfs/dbraw/zinc/07/00/66/502070066.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127662 502070069 /nfs/dbraw/zinc/07/00/69/502070069.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000468521724 502089901 /nfs/dbraw/zinc/08/99/01/502089901.db2.gz FEABXBDFNYJQOB-OAQYLSRUSA-N 1 3 374.573 3.443 20 0 FGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000482529429 502101541 /nfs/dbraw/zinc/10/15/41/502101541.db2.gz GTAJCYPEDTTWEP-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000461468259 502125605 /nfs/dbraw/zinc/12/56/05/502125605.db2.gz HOAQHWYQJBGDNA-FQEVSTJZSA-N 1 3 355.526 3.033 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000461468259 502125612 /nfs/dbraw/zinc/12/56/12/502125612.db2.gz HOAQHWYQJBGDNA-FQEVSTJZSA-N 1 3 355.526 3.033 20 0 FGADHO COC(=O)CC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000599054187 506295995 /nfs/dbraw/zinc/29/59/95/506295995.db2.gz KZFOXQBWUKYLFH-UHFFFAOYSA-N 1 3 359.514 3.005 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1 ZINC000468714542 502156469 /nfs/dbraw/zinc/15/64/69/502156469.db2.gz MOSPZJNXGZQTLK-UHFFFAOYSA-N 1 3 369.553 3.156 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280020 502213379 /nfs/dbraw/zinc/21/33/79/502213379.db2.gz JBOCCYWFTXSYID-WNRNVDISSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280020 502213380 /nfs/dbraw/zinc/21/33/80/502213380.db2.gz JBOCCYWFTXSYID-WNRNVDISSA-N 1 3 364.534 3.271 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C)CN1CCCC1 ZINC000472143880 502246718 /nfs/dbraw/zinc/24/67/18/502246718.db2.gz IZZOOBUJCKMWKY-ZWKOTPCHSA-N 1 3 371.525 3.163 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258870 502287256 /nfs/dbraw/zinc/28/72/56/502287256.db2.gz KRUSYBNCKSQDKR-SFHVURJKSA-N 1 3 367.921 3.101 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000483141549 502288281 /nfs/dbraw/zinc/28/82/81/502288281.db2.gz JXYCLQXFINJPLT-OAHLLOKOSA-N 1 3 374.356 3.034 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176026 502302831 /nfs/dbraw/zinc/30/28/31/502302831.db2.gz JKXGSEYVWPLUHJ-GHTZIAJQSA-N 1 3 374.573 3.085 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196444 502310775 /nfs/dbraw/zinc/31/07/75/502310775.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196444 502310780 /nfs/dbraw/zinc/31/07/80/502310780.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479680745 502342218 /nfs/dbraw/zinc/34/22/18/502342218.db2.gz YFTUEAOXZSBUIC-SBHAEUEKSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479680745 502342222 /nfs/dbraw/zinc/34/22/22/502342222.db2.gz YFTUEAOXZSBUIC-SBHAEUEKSA-N 1 3 374.573 3.489 20 0 FGADHO COc1ccc([C@@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686981 506307917 /nfs/dbraw/zinc/30/79/17/506307917.db2.gz JJHJCZQZQIKJPA-IRLDBZIGSA-N 1 3 356.510 3.475 20 0 FGADHO COc1ccc([C@@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686981 506307922 /nfs/dbraw/zinc/30/79/22/506307922.db2.gz JJHJCZQZQIKJPA-IRLDBZIGSA-N 1 3 356.510 3.475 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000476005526 502356097 /nfs/dbraw/zinc/35/60/97/502356097.db2.gz MBGHXZRBLDITEO-HXUWFJFHSA-N 1 3 362.562 3.053 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103828 502360260 /nfs/dbraw/zinc/36/02/60/502360260.db2.gz OCAHUIGCEQBMAI-ZWKOTPCHSA-N 1 3 366.575 3.113 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)N(C)C)cc1 ZINC000483513095 502415952 /nfs/dbraw/zinc/41/59/52/502415952.db2.gz BGNYTCRBNQEHQL-UIFIKXQLSA-N 1 3 374.573 3.366 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)N(C)C)cc1 ZINC000483513095 502415959 /nfs/dbraw/zinc/41/59/59/502415959.db2.gz BGNYTCRBNQEHQL-UIFIKXQLSA-N 1 3 374.573 3.366 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890952 502416549 /nfs/dbraw/zinc/41/65/49/502416549.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890952 502416553 /nfs/dbraw/zinc/41/65/53/502416553.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567410 502434273 /nfs/dbraw/zinc/43/42/73/502434273.db2.gz JIGPKKFTJBXAHI-ACRUOGEOSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567410 502434276 /nfs/dbraw/zinc/43/42/76/502434276.db2.gz JIGPKKFTJBXAHI-ACRUOGEOSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)CN(C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000469767862 502537742 /nfs/dbraw/zinc/53/77/42/502537742.db2.gz ZZZKRKPSKGPTNT-MOJGAOKDSA-N 1 3 371.569 3.380 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)N(C)C)cc1 ZINC000476631425 502544901 /nfs/dbraw/zinc/54/49/01/502544901.db2.gz RLCPNFNSJPVJNH-WOJBJXKFSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)N(C)C)cc1 ZINC000476631425 502544907 /nfs/dbraw/zinc/54/49/07/502544907.db2.gz RLCPNFNSJPVJNH-WOJBJXKFSA-N 1 3 360.546 3.025 20 0 FGADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000487857355 502548430 /nfs/dbraw/zinc/54/84/30/502548430.db2.gz JTNNAVYBKJSOBT-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000487857355 502548434 /nfs/dbraw/zinc/54/84/34/502548434.db2.gz JTNNAVYBKJSOBT-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO COCC[NH+]1CCC(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000469800662 502550552 /nfs/dbraw/zinc/55/05/52/502550552.db2.gz RMEQCGJKENRUNR-GOSISDBHSA-N 1 3 373.463 3.009 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000487863277 502550860 /nfs/dbraw/zinc/55/08/60/502550860.db2.gz VWAWAXNLTGZLAF-IBGZPJMESA-N 1 3 364.578 3.014 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000473323886 502566526 /nfs/dbraw/zinc/56/65/26/502566526.db2.gz HLJQNHFSAGKPPM-OAQYLSRUSA-N 1 3 372.557 3.324 20 0 FGADHO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484135875 502579563 /nfs/dbraw/zinc/57/95/63/502579563.db2.gz CZKWPYQSSRVEMU-NRFANRHFSA-N 1 3 372.484 3.164 20 0 FGADHO CCOc1cc2[nH+]ccc(N3CCN(CCOC)[C@H](C)C3)c2cc1OCC ZINC000462808926 502584436 /nfs/dbraw/zinc/58/44/36/502584436.db2.gz QIXPLWLEUKNJCI-MRXNPFEDSA-N 1 3 373.497 3.189 20 0 FGADHO CC(C)[C@@H](CNC1CCN(Cc2ccccn2)CC1)[NH+]1CCC(C)CC1 ZINC000480741797 502658450 /nfs/dbraw/zinc/65/84/50/502658450.db2.gz AMUPFCMBVHPVAD-JOCHJYFZSA-N 1 3 358.574 3.392 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027296 502665260 /nfs/dbraw/zinc/66/52/60/502665260.db2.gz GEJAIPYAKWGOEP-FUHWJXTLSA-N 1 3 361.530 3.102 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123584 502702043 /nfs/dbraw/zinc/70/20/43/502702043.db2.gz ORZHRSURMKSGMB-WMLDXEAASA-N 1 3 359.436 3.327 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1C ZINC000480944093 502710834 /nfs/dbraw/zinc/71/08/34/502710834.db2.gz YFRVJKPYJYONKZ-HXUWFJFHSA-N 1 3 360.546 3.437 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000480944093 502710838 /nfs/dbraw/zinc/71/08/38/502710838.db2.gz YFRVJKPYJYONKZ-HXUWFJFHSA-N 1 3 360.546 3.437 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478269 502727074 /nfs/dbraw/zinc/72/70/74/502727074.db2.gz BMYXMWSCGCJODI-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478269 502727078 /nfs/dbraw/zinc/72/70/78/502727078.db2.gz BMYXMWSCGCJODI-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488507089 502735529 /nfs/dbraw/zinc/73/55/29/502735529.db2.gz VWALLGMJVSPMFG-DBXWQHBBSA-N 1 3 372.557 3.010 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488507089 502735533 /nfs/dbraw/zinc/73/55/33/502735533.db2.gz VWALLGMJVSPMFG-DBXWQHBBSA-N 1 3 372.557 3.010 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000470361885 502749544 /nfs/dbraw/zinc/74/95/44/502749544.db2.gz LZRBGXVCMDITIA-HKUYNNGSSA-N 1 3 363.505 3.320 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000470361885 502749546 /nfs/dbraw/zinc/74/95/46/502749546.db2.gz LZRBGXVCMDITIA-HKUYNNGSSA-N 1 3 363.505 3.320 20 0 FGADHO CC(C)C[C@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C(=O)NCCN(C)C ZINC000470364300 502750220 /nfs/dbraw/zinc/75/02/20/502750220.db2.gz TWWCVQPRDNAAHP-YJBOKZPZSA-N 1 3 353.938 3.126 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000474032390 502784481 /nfs/dbraw/zinc/78/44/81/502784481.db2.gz IXMQZBZVTVQMBA-KSEOMHKRSA-N 1 3 360.542 3.354 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049755 502790143 /nfs/dbraw/zinc/79/01/43/502790143.db2.gz CAPNSXHJTGOWMK-PCCBWWKXSA-N 1 3 363.590 3.122 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152634 502888640 /nfs/dbraw/zinc/88/86/40/502888640.db2.gz YHJHNQIIMZXVQX-UFYCRDLUSA-N 1 3 364.578 3.014 20 0 FGADHO CCC(C)(C)c1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000509388601 502889626 /nfs/dbraw/zinc/88/96/26/502889626.db2.gz PQXUSPQVRBDSNS-UHFFFAOYSA-N 1 3 359.558 3.264 20 0 FGADHO CC1CCC(N(C)C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501070590 502928115 /nfs/dbraw/zinc/92/81/15/502928115.db2.gz SQQJPHAEUMVWSR-UHFFFAOYSA-N 1 3 372.557 3.267 20 0 FGADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081599 502931277 /nfs/dbraw/zinc/93/12/77/502931277.db2.gz XVGDXRVCHUYYBO-OTWHNJEPSA-N 1 3 372.557 3.408 20 0 FGADHO C(CN1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399847 502948205 /nfs/dbraw/zinc/94/82/05/502948205.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399847 502948211 /nfs/dbraw/zinc/94/82/11/502948211.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399847 502948215 /nfs/dbraw/zinc/94/82/15/502948215.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399847 502948219 /nfs/dbraw/zinc/94/82/19/502948219.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 1 3 350.547 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165836 502951885 /nfs/dbraw/zinc/95/18/85/502951885.db2.gz WEYHTUURCLHXLW-WMZOPIPTSA-N 1 3 366.575 3.305 20 0 FGADHO C/C(=C\c1ccc(Cl)cc1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000513499542 502953408 /nfs/dbraw/zinc/95/34/08/502953408.db2.gz GXJZOAVSTKXRJT-JQIJEIRASA-N 1 3 363.933 3.276 20 0 FGADHO Cn1c2ccc(CNCc3ccc(C[NH+]4CCCCC4)cc3)cc2oc1=O ZINC000509693705 502968903 /nfs/dbraw/zinc/96/89/03/502968903.db2.gz AOSLREIIXPRSLR-UHFFFAOYSA-N 1 3 365.477 3.407 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000489532281 502979757 /nfs/dbraw/zinc/97/97/57/502979757.db2.gz IEVONIFBOAGYCO-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CN1CCC(N2CCC([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)CC1 ZINC000501379422 502996635 /nfs/dbraw/zinc/99/66/35/502996635.db2.gz XAZDLYKNLMVXLS-GHTZIAJQSA-N 1 3 356.558 3.256 20 0 FGADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513672837 502997022 /nfs/dbraw/zinc/99/70/22/502997022.db2.gz MRURYTRNUXNNCY-PCCBWWKXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672837 502997024 /nfs/dbraw/zinc/99/70/24/502997024.db2.gz MRURYTRNUXNNCY-PCCBWWKXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672837 502997027 /nfs/dbraw/zinc/99/70/27/502997027.db2.gz MRURYTRNUXNNCY-PCCBWWKXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000510244330 503078513 /nfs/dbraw/zinc/07/85/13/503078513.db2.gz QOLZPRYGMUVKJI-UHFFFAOYSA-N 1 3 353.466 3.262 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000510244330 503078516 /nfs/dbraw/zinc/07/85/16/503078516.db2.gz QOLZPRYGMUVKJI-UHFFFAOYSA-N 1 3 353.466 3.262 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083819 503083569 /nfs/dbraw/zinc/08/35/69/503083569.db2.gz MUPQVRQPIXFFNY-WLRLJWMZSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083819 503083574 /nfs/dbraw/zinc/08/35/74/503083574.db2.gz MUPQVRQPIXFFNY-WLRLJWMZSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083819 503083576 /nfs/dbraw/zinc/08/35/76/503083576.db2.gz MUPQVRQPIXFFNY-WLRLJWMZSA-N 1 3 357.542 3.295 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000498031116 503091811 /nfs/dbraw/zinc/09/18/11/503091811.db2.gz XYAYKWDMMCSSQQ-UIFIKXQLSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000498031116 503091815 /nfs/dbraw/zinc/09/18/15/503091815.db2.gz XYAYKWDMMCSSQQ-UIFIKXQLSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H](CCNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCC1 ZINC000501914158 503108137 /nfs/dbraw/zinc/10/81/37/503108137.db2.gz LFESGCIKZSYTDF-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000514413479 503128553 /nfs/dbraw/zinc/12/85/53/503128553.db2.gz DJBVGHHLWLXXLY-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000490199839 503128981 /nfs/dbraw/zinc/12/89/81/503128981.db2.gz VTPHSPGCPMNXSF-XLIONFOSSA-N 1 3 360.546 3.099 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000490219160 503133627 /nfs/dbraw/zinc/13/36/27/503133627.db2.gz WBPUFZWBJHXGLZ-SJLPKXTDSA-N 1 3 364.534 3.130 20 0 FGADHO Cc1cc(NC(=O)CCC2CC[NH2+]CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000514671309 503163589 /nfs/dbraw/zinc/16/35/89/503163589.db2.gz CONBGLAPBJUDDJ-UHFFFAOYSA-N 1 3 372.557 3.244 20 0 FGADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000506869183 503187154 /nfs/dbraw/zinc/18/71/54/503187154.db2.gz YHNUXUWRCVIICB-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832770 503233421 /nfs/dbraw/zinc/23/34/21/503233421.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832770 503233422 /nfs/dbraw/zinc/23/34/22/503233422.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 1 3 369.553 3.420 20 0 FGADHO CC(C)CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000511057169 503244234 /nfs/dbraw/zinc/24/42/34/503244234.db2.gz SNUYSXZHJALUNS-NRFANRHFSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000511057169 503244236 /nfs/dbraw/zinc/24/42/36/503244236.db2.gz SNUYSXZHJALUNS-NRFANRHFSA-N 1 3 371.569 3.477 20 0 FGADHO CCCCN(C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491050925 503265807 /nfs/dbraw/zinc/26/58/07/503265807.db2.gz IFXNUBFARVYNGT-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502771811 503268634 /nfs/dbraw/zinc/26/86/34/503268634.db2.gz MWFJNUJYAXPHJS-GPJFCIFZSA-N 1 3 366.594 3.305 20 0 FGADHO CCCCN(C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502820737 503280421 /nfs/dbraw/zinc/28/04/21/503280421.db2.gz CFTRJVBEWQVTIC-UHFFFAOYSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NCCN(C)C2CC2)CCCC1)c1ccccc1 ZINC000503021998 503327501 /nfs/dbraw/zinc/32/75/01/503327501.db2.gz DJBSRHCANFJXKL-QGZVFWFLSA-N 1 3 358.530 3.043 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000499149723 503344892 /nfs/dbraw/zinc/34/48/92/503344892.db2.gz HGMWOTMJDPMKMB-KOUNCHBCSA-N 1 3 363.505 3.331 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511581439 503347189 /nfs/dbraw/zinc/34/71/89/503347189.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511581439 503347193 /nfs/dbraw/zinc/34/71/93/503347193.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)N(C)C ZINC000499200488 503354237 /nfs/dbraw/zinc/35/42/37/503354237.db2.gz BZGIWVHVSMOXHS-ZJOUEHCJSA-N 1 3 374.573 3.263 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)N(C)C ZINC000499200488 503354241 /nfs/dbraw/zinc/35/42/41/503354241.db2.gz BZGIWVHVSMOXHS-ZJOUEHCJSA-N 1 3 374.573 3.263 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503360213 503394483 /nfs/dbraw/zinc/39/44/83/503394483.db2.gz GZYWXKHTYRWWSW-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503360213 503394486 /nfs/dbraw/zinc/39/44/86/503394486.db2.gz GZYWXKHTYRWWSW-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000493863617 503450176 /nfs/dbraw/zinc/45/01/76/503450176.db2.gz HQPBFHQMAZDBEH-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000499660082 503452041 /nfs/dbraw/zinc/45/20/41/503452041.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000499660082 503452043 /nfs/dbraw/zinc/45/20/43/503452043.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 1 3 357.542 3.374 20 0 FGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000493883380 503452148 /nfs/dbraw/zinc/45/21/48/503452148.db2.gz OINILWMQNCDHSH-CTNGQTDRSA-N 1 3 359.558 3.303 20 0 FGADHO Fc1ccc(/C=C/C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000512138128 503467183 /nfs/dbraw/zinc/46/71/83/503467183.db2.gz XMNYBAQLUCMEOF-HNQUOIGGSA-N 1 3 372.463 3.175 20 0 FGADHO COCC[N@H+](C)CCCN[C@H]1CCc2cc(Br)cc(C)c21 ZINC000493979089 503469990 /nfs/dbraw/zinc/46/99/90/503469990.db2.gz WTLVWJXUSIVRCP-INIZCTEOSA-N 1 3 355.320 3.303 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H]1CCc2cc(Br)cc(C)c21 ZINC000493979089 503469992 /nfs/dbraw/zinc/46/99/92/503469992.db2.gz WTLVWJXUSIVRCP-INIZCTEOSA-N 1 3 355.320 3.303 20 0 FGADHO Cc1nc2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)cc2s1 ZINC000494193285 503501377 /nfs/dbraw/zinc/50/13/77/503501377.db2.gz YAYMPMXHWYTVPN-RTBURBONSA-N 1 3 359.539 3.462 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501407 /nfs/dbraw/zinc/50/14/07/503501407.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 1 3 361.493 3.066 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501409 /nfs/dbraw/zinc/50/14/09/503501409.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 1 3 361.493 3.066 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501781 /nfs/dbraw/zinc/50/17/81/503501781.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 1 3 361.493 3.066 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501786 /nfs/dbraw/zinc/50/17/86/503501786.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 1 3 361.493 3.066 20 0 FGADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000499887291 503502761 /nfs/dbraw/zinc/50/27/61/503502761.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000499887291 503502765 /nfs/dbraw/zinc/50/27/65/503502765.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000516562184 503537565 /nfs/dbraw/zinc/53/75/65/503537565.db2.gz DCVVQSCPJKSAEY-MVVFMWOOSA-N 1 3 368.569 3.035 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562184 503537567 /nfs/dbraw/zinc/53/75/67/503537567.db2.gz DCVVQSCPJKSAEY-MVVFMWOOSA-N 1 3 368.569 3.035 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000504420581 503572155 /nfs/dbraw/zinc/57/21/55/503572155.db2.gz XIPMLRKQDRZZLW-VQTJNVASSA-N 1 3 360.546 3.192 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508867942 503582093 /nfs/dbraw/zinc/58/20/93/503582093.db2.gz UNRFSJZYFNXBCV-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1)C1CC1 ZINC000516973005 503635768 /nfs/dbraw/zinc/63/57/68/503635768.db2.gz NONGDSUYFBVMRV-JOCHJYFZSA-N 1 3 363.505 3.369 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1)C1CC1 ZINC000516973005 503635772 /nfs/dbraw/zinc/63/57/72/503635772.db2.gz NONGDSUYFBVMRV-JOCHJYFZSA-N 1 3 363.505 3.369 20 0 FGADHO COCCC[NH+]1CCC(N[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056427 503653868 /nfs/dbraw/zinc/65/38/68/503653868.db2.gz CTROWQGOTXODQY-LAUBAEHRSA-N 1 3 364.505 3.384 20 0 FGADHO COc1ccc(Oc2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)cc1 ZINC000543234944 503690444 /nfs/dbraw/zinc/69/04/44/503690444.db2.gz VKVLFIOFXJCUIT-UHFFFAOYSA-N 1 3 356.466 3.034 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255814 503695075 /nfs/dbraw/zinc/69/50/75/503695075.db2.gz XQRITVHZCBNRHW-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccnc(-n3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000517255814 503695080 /nfs/dbraw/zinc/69/50/80/503695080.db2.gz XQRITVHZCBNRHW-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO COCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000540169605 503695874 /nfs/dbraw/zinc/69/58/74/503695874.db2.gz FLBIOZKHQSXDDX-HLIPFELVSA-N 1 3 352.494 3.382 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865558 503742716 /nfs/dbraw/zinc/74/27/16/503742716.db2.gz YPRFCVRCBVBDBJ-CEXWTWQISA-N 1 3 356.514 3.412 20 0 FGADHO Cc1cc([C@@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404668 503756552 /nfs/dbraw/zinc/75/65/52/503756552.db2.gz PYYUUAJWSZDWNA-IFMALSPDSA-N 1 3 371.500 3.445 20 0 FGADHO Cc1cc([C@@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404668 503756558 /nfs/dbraw/zinc/75/65/58/503756558.db2.gz PYYUUAJWSZDWNA-IFMALSPDSA-N 1 3 371.500 3.445 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541702 503766881 /nfs/dbraw/zinc/76/68/81/503766881.db2.gz QOOUNNPAJXJRMB-UYAOXDASSA-N 1 3 372.557 3.386 20 0 FGADHO CCn1ccnc1CNCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000537021665 503780102 /nfs/dbraw/zinc/78/01/02/503780102.db2.gz HOVFPWGFHNBTMB-OALUTQOASA-N 1 3 370.541 3.202 20 0 FGADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530028361 503801507 /nfs/dbraw/zinc/80/15/07/503801507.db2.gz KUFVYXITIGIBJZ-MRXNPFEDSA-N 1 3 355.482 3.241 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693356 503809131 /nfs/dbraw/zinc/80/91/31/503809131.db2.gz PNNRHVCIOIFCHN-AVRDEDQJSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693356 503809133 /nfs/dbraw/zinc/80/91/33/503809133.db2.gz PNNRHVCIOIFCHN-AVRDEDQJSA-N 1 3 369.553 3.025 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)N(C)C ZINC000527492138 503809445 /nfs/dbraw/zinc/80/94/45/503809445.db2.gz JXVYZCYXNFHMBP-LAUBAEHRSA-N 1 3 354.498 3.024 20 0 FGADHO CSc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000537443796 503916564 /nfs/dbraw/zinc/91/65/64/503916564.db2.gz FSAMHSSEVRVDSF-YJBOKZPZSA-N 1 3 351.560 3.152 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCCC3(C)C)CC2)CC1 ZINC000527729857 503917404 /nfs/dbraw/zinc/91/74/04/503917404.db2.gz YVJVHRNEHGTIEP-QGZVFWFLSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534146 503945677 /nfs/dbraw/zinc/94/56/77/503945677.db2.gz APIIUZWEFHUHKS-AVRDEDQJSA-N 1 3 368.525 3.345 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000537650143 503992330 /nfs/dbraw/zinc/99/23/30/503992330.db2.gz HPZPLDRHECNVQR-NRFANRHFSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000537650143 503992336 /nfs/dbraw/zinc/99/23/36/503992336.db2.gz HPZPLDRHECNVQR-NRFANRHFSA-N 1 3 371.569 3.467 20 0 FGADHO Cc1cccc([C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)c1 ZINC000527909156 503994173 /nfs/dbraw/zinc/99/41/73/503994173.db2.gz PKNGSQQSLBCWQQ-OAQYLSRUSA-N 1 3 359.558 3.078 20 0 FGADHO CC[NH+](CC)CCCC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000541091409 504004046 /nfs/dbraw/zinc/00/40/46/504004046.db2.gz XIBGJENQCYCHJA-UHFFFAOYSA-N 1 3 370.545 3.039 20 0 FGADHO C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC(C)(C)C1 ZINC000544116281 504012963 /nfs/dbraw/zinc/01/29/63/504012963.db2.gz CTLIERGDGKZHLS-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)N(C)C)cc1 ZINC000518594342 504023799 /nfs/dbraw/zinc/02/37/99/504023799.db2.gz YQGPWHUJPVVLLC-BJLQDIEVSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@H](C)O1 ZINC000530633424 504034084 /nfs/dbraw/zinc/03/40/84/504034084.db2.gz PVOMHMIKTSJVKS-IYBDPMFKSA-N 1 3 356.457 3.310 20 0 FGADHO CC(C)[NH+](CCCN[C@H](C)CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000547368250 504078711 /nfs/dbraw/zinc/07/87/11/504078711.db2.gz SIILRKGHCWTRAV-QGZVFWFLSA-N 1 3 359.514 3.160 20 0 FGADHO CC(C)[NH+](CCCN[C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000547368249 504078756 /nfs/dbraw/zinc/07/87/56/504078756.db2.gz SIILRKGHCWTRAV-KRWDZBQOSA-N 1 3 359.514 3.160 20 0 FGADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1)CC(C)C ZINC000537999183 504106814 /nfs/dbraw/zinc/10/68/14/504106814.db2.gz XTJCHHJKLZJZEI-IBGZPJMESA-N 1 3 351.579 3.467 20 0 FGADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1)CC(C)C ZINC000537999183 504106819 /nfs/dbraw/zinc/10/68/19/504106819.db2.gz XTJCHHJKLZJZEI-IBGZPJMESA-N 1 3 351.579 3.467 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134801 /nfs/dbraw/zinc/13/48/01/504134801.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134804 /nfs/dbraw/zinc/13/48/04/504134804.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](CN1CC[C@@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134807 /nfs/dbraw/zinc/13/48/07/504134807.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](CN1CC[C@@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134811 /nfs/dbraw/zinc/13/48/11/504134811.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156762 504152997 /nfs/dbraw/zinc/15/29/97/504152997.db2.gz LHHRGNKXGKYEDW-COPCDDAFSA-N 1 3 369.553 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555685 504173018 /nfs/dbraw/zinc/17/30/18/504173018.db2.gz JQWZYZFIDOAEHR-DENIHFKCSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555685 504173022 /nfs/dbraw/zinc/17/30/22/504173022.db2.gz JQWZYZFIDOAEHR-DENIHFKCSA-N 1 3 371.569 3.178 20 0 FGADHO CC[C@H](NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000544575574 504179349 /nfs/dbraw/zinc/17/93/49/504179349.db2.gz MTJVYTJFNZAKJQ-FQEVSTJZSA-N 1 3 356.514 3.382 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000528485518 504244095 /nfs/dbraw/zinc/24/40/95/504244095.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 1 3 371.569 3.239 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000528485518 504244097 /nfs/dbraw/zinc/24/40/97/504244097.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 1 3 371.569 3.239 20 0 FGADHO C[C@H](N[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568267 504255915 /nfs/dbraw/zinc/25/59/15/504255915.db2.gz QMCHHHZWRMPVEG-WEYGHZABSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](N[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568267 504255921 /nfs/dbraw/zinc/25/59/21/504255921.db2.gz QMCHHHZWRMPVEG-WEYGHZABSA-N 1 3 356.485 3.229 20 0 FGADHO CCOc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC(F)F ZINC000538732396 504349036 /nfs/dbraw/zinc/34/90/36/504349036.db2.gz KDFDWXDAHOLZBV-UHFFFAOYSA-N 1 3 372.456 3.229 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000538752154 504358972 /nfs/dbraw/zinc/35/89/72/504358972.db2.gz MDPJKDYVRKYVRH-HXUWFJFHSA-N 1 3 370.497 3.202 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528904051 504443352 /nfs/dbraw/zinc/44/33/52/504443352.db2.gz HGCUEEYLTMTGAO-SFHVURJKSA-N 1 3 374.529 3.285 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528904051 504443357 /nfs/dbraw/zinc/44/33/57/504443357.db2.gz HGCUEEYLTMTGAO-SFHVURJKSA-N 1 3 374.529 3.285 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531959497 504487879 /nfs/dbraw/zinc/48/78/79/504487879.db2.gz KDPRWGASKHELBX-KGLIPLIRSA-N 1 3 374.392 3.435 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)C1CCOCC1 ZINC000532193031 504568881 /nfs/dbraw/zinc/56/88/81/504568881.db2.gz HWYYHWBBLHREHE-JOCHJYFZSA-N 1 3 359.558 3.119 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2ccccn2)CC1 ZINC000532501480 504673192 /nfs/dbraw/zinc/67/31/92/504673192.db2.gz HYVMCQGMQWWNPC-UHFFFAOYSA-N 1 3 352.526 3.336 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589530 504703611 /nfs/dbraw/zinc/70/36/11/504703611.db2.gz LFVMGXRBVVYADB-HKUYNNGSSA-N 1 3 356.514 3.304 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589530 504703617 /nfs/dbraw/zinc/70/36/17/504703617.db2.gz LFVMGXRBVVYADB-HKUYNNGSSA-N 1 3 356.514 3.304 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000539822804 504704304 /nfs/dbraw/zinc/70/43/04/504704304.db2.gz MWQYSVMZBDQOFT-CVDCTZTESA-N 1 3 364.537 3.206 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000521380928 504724232 /nfs/dbraw/zinc/72/42/32/504724232.db2.gz MQJOFHITWCKCCV-RBUKOAKNSA-N 1 3 359.558 3.176 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932588 504741833 /nfs/dbraw/zinc/74/18/33/504741833.db2.gz SVADYIDNWZTRTA-WIYYLYMNSA-N 1 3 373.541 3.213 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N(C)C)cc1 ZINC000521600099 504762281 /nfs/dbraw/zinc/76/22/81/504762281.db2.gz DESAWCTZHVWBCY-LJQANCHMSA-N 1 3 372.538 3.049 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091514 504779808 /nfs/dbraw/zinc/77/98/08/504779808.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091514 504779813 /nfs/dbraw/zinc/77/98/13/504779813.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 1 3 357.542 3.420 20 0 FGADHO CCc1oc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C(=O)OC ZINC000549403720 504812179 /nfs/dbraw/zinc/81/21/79/504812179.db2.gz NLBPNSDHNZKXJR-HZPDHXFCSA-N 1 3 350.503 3.476 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428895 504885196 /nfs/dbraw/zinc/88/51/96/504885196.db2.gz XYCRUHLTFGBZBS-IAGOWNOFSA-N 1 3 357.542 3.192 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000549766123 504892170 /nfs/dbraw/zinc/89/21/70/504892170.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000549766123 504892172 /nfs/dbraw/zinc/89/21/72/504892172.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 1 3 357.542 3.374 20 0 FGADHO Nc1nccc([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702841 504913822 /nfs/dbraw/zinc/91/38/22/504913822.db2.gz SLPXKZQOPZKNNE-HXUWFJFHSA-N 1 3 365.525 3.255 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742872 504920976 /nfs/dbraw/zinc/92/09/76/504920976.db2.gz GUAYBSZGBSJCPM-ZWOKBUDYSA-N 1 3 362.514 3.403 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553510654 504935871 /nfs/dbraw/zinc/93/58/71/504935871.db2.gz GOEZDKJTDYYLDT-YFVAEKQCSA-N 1 3 373.516 3.123 20 0 FGADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000565939832 505032742 /nfs/dbraw/zinc/03/27/42/505032742.db2.gz ICDKETUQBBJYNW-LJQANCHMSA-N 1 3 374.529 3.061 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000560265084 505033358 /nfs/dbraw/zinc/03/33/58/505033358.db2.gz DGCKGDCGJUNROJ-YADHBBJMSA-N 1 3 357.542 3.362 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000560265084 505033361 /nfs/dbraw/zinc/03/33/61/505033361.db2.gz DGCKGDCGJUNROJ-YADHBBJMSA-N 1 3 357.542 3.362 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CNCc2ccc(C[NH+](C)C)cc2)c1C ZINC000560392954 505070164 /nfs/dbraw/zinc/07/01/64/505070164.db2.gz IIFVWDYKKISVRZ-OAQYLSRUSA-N 1 3 356.510 3.203 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063609 505070318 /nfs/dbraw/zinc/07/03/18/505070318.db2.gz DUPKJRPKNOKMBW-GUDVDZBRSA-N 1 3 370.493 3.291 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063609 505070321 /nfs/dbraw/zinc/07/03/21/505070321.db2.gz DUPKJRPKNOKMBW-GUDVDZBRSA-N 1 3 370.493 3.291 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000563207188 505076180 /nfs/dbraw/zinc/07/61/80/505076180.db2.gz WBQXWTRAIBMTCE-SIKLNZKXSA-N 1 3 371.569 3.450 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000563207188 505076184 /nfs/dbraw/zinc/07/61/84/505076184.db2.gz WBQXWTRAIBMTCE-SIKLNZKXSA-N 1 3 371.569 3.450 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088765 505076302 /nfs/dbraw/zinc/07/63/02/505076302.db2.gz KZFVDFMHBXJLNR-JCKWVBRZSA-N 1 3 360.452 3.250 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000563207190 505076424 /nfs/dbraw/zinc/07/64/24/505076424.db2.gz WBQXWTRAIBMTCE-UGKGYDQZSA-N 1 3 371.569 3.450 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000563207190 505076427 /nfs/dbraw/zinc/07/64/27/505076427.db2.gz WBQXWTRAIBMTCE-UGKGYDQZSA-N 1 3 371.569 3.450 20 0 FGADHO Cc1ccc2cc([C@@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2c1 ZINC000566092470 505078425 /nfs/dbraw/zinc/07/84/25/505078425.db2.gz UCKSLWSVIJTJOU-ZVGUJKQYSA-N 1 3 355.482 3.039 20 0 FGADHO C[C@@H](CNCCC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000566106648 505083475 /nfs/dbraw/zinc/08/34/75/505083475.db2.gz WEHJHZGSBMAQGM-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CN1CCCC1 ZINC000566106648 505083479 /nfs/dbraw/zinc/08/34/79/505083479.db2.gz WEHJHZGSBMAQGM-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700346 505085953 /nfs/dbraw/zinc/08/59/53/505085953.db2.gz GASOQRJJKYWSGV-FCHUYYIVSA-N 1 3 371.569 3.447 20 0 FGADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2sc(Br)cc21 ZINC000550789632 505101306 /nfs/dbraw/zinc/10/13/06/505101306.db2.gz RFFPHCRVERUSQS-CYBMUJFWSA-N 1 3 361.349 3.446 20 0 FGADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000560528246 505115546 /nfs/dbraw/zinc/11/55/46/505115546.db2.gz OGWGOBDBGJONRX-KJJMTIBFSA-N 1 3 359.558 3.158 20 0 FGADHO COC(=O)c1csc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000560528123 505115753 /nfs/dbraw/zinc/11/57/53/505115753.db2.gz NRZBCZVGVPLNMT-KKUMJFAQSA-N 1 3 354.516 3.075 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217146 /nfs/dbraw/zinc/21/71/46/505217146.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 1 3 357.542 3.123 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217150 /nfs/dbraw/zinc/21/71/50/505217150.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000554609467 505221272 /nfs/dbraw/zinc/22/12/72/505221272.db2.gz AAWHRYUEAHFLNT-PKOBYXMFSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000554609467 505221275 /nfs/dbraw/zinc/22/12/75/505221275.db2.gz AAWHRYUEAHFLNT-PKOBYXMFSA-N 1 3 360.546 3.194 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccccc3C)CC2)CC1 ZINC000561067669 505242613 /nfs/dbraw/zinc/24/26/13/505242613.db2.gz LVKFOSGLQMHZPC-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000551818550 505318157 /nfs/dbraw/zinc/31/81/57/505318157.db2.gz WEHDPUSUXOIYNY-FQEVSTJZSA-N 1 3 374.525 3.371 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000555120624 505355291 /nfs/dbraw/zinc/35/52/91/505355291.db2.gz YBMCITSLDXKPRG-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380420 505371727 /nfs/dbraw/zinc/37/17/27/505371727.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380420 505371728 /nfs/dbraw/zinc/37/17/28/505371728.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO CC[C@@H]1C[C@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147731 505377080 /nfs/dbraw/zinc/37/70/80/505377080.db2.gz YPMGXXYPLAVZOH-XPWALMASSA-N 1 3 371.569 3.084 20 0 FGADHO CC[C@@H]1C[C@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147731 505377081 /nfs/dbraw/zinc/37/70/81/505377081.db2.gz YPMGXXYPLAVZOH-XPWALMASSA-N 1 3 371.569 3.084 20 0 FGADHO C[C@@H](CCc1ccc(Cl)s1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552064765 505387955 /nfs/dbraw/zinc/38/79/55/505387955.db2.gz NDSLLNGRYUUINN-HNNXBMFYSA-N 1 3 371.978 3.304 20 0 FGADHO C[N@@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284057 505417909 /nfs/dbraw/zinc/41/79/09/505417909.db2.gz AMBHTAZMRQERCA-RTWAWAEBSA-N 1 3 351.494 3.118 20 0 FGADHO C[N@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284057 505417912 /nfs/dbraw/zinc/41/79/12/505417912.db2.gz AMBHTAZMRQERCA-RTWAWAEBSA-N 1 3 351.494 3.118 20 0 FGADHO O=C(N1CCCC1)N1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000552325560 505461039 /nfs/dbraw/zinc/46/10/39/505461039.db2.gz XANFIEFPFRPQQV-IBGZPJMESA-N 1 3 362.562 3.053 20 0 FGADHO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000552325560 505461043 /nfs/dbraw/zinc/46/10/43/505461043.db2.gz XANFIEFPFRPQQV-IBGZPJMESA-N 1 3 362.562 3.053 20 0 FGADHO CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000555712737 505497225 /nfs/dbraw/zinc/49/72/25/505497225.db2.gz WTFWFRHWIZGBRV-LEWJYISDSA-N 1 3 369.553 3.409 20 0 FGADHO c1cn(-c2ccccc2CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646098 505523480 /nfs/dbraw/zinc/52/34/80/505523480.db2.gz TYFJCHPXAYFDTQ-SIKLNZKXSA-N 1 3 360.461 3.218 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000562138648 505526414 /nfs/dbraw/zinc/52/64/14/505526414.db2.gz FFWMZPJBPZWXKP-NSHGMRRFSA-N 1 3 360.546 3.016 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000562138648 505526417 /nfs/dbraw/zinc/52/64/17/505526417.db2.gz FFWMZPJBPZWXKP-NSHGMRRFSA-N 1 3 360.546 3.016 20 0 FGADHO CN1CCN(CC2CC[NH+](CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000562205543 505539392 /nfs/dbraw/zinc/53/93/92/505539392.db2.gz QJZAZFMPAYMOLH-UHFFFAOYSA-N 1 3 357.586 3.486 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000612193088 506476980 /nfs/dbraw/zinc/47/69/80/506476980.db2.gz RAFROJMANHIRRH-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000596650303 506510385 /nfs/dbraw/zinc/51/03/85/506510385.db2.gz HADUOMLPYJEMNY-LBPRGKRZSA-N 1 3 359.297 3.404 20 0 FGADHO COc1c(Br)cccc1CNCC1(SC)CC[NH+](C)CC1 ZINC000583054886 506563385 /nfs/dbraw/zinc/56/33/85/506563385.db2.gz ZVZIAKFLQYKIGH-UHFFFAOYSA-N 1 3 373.360 3.375 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604107052 506715682 /nfs/dbraw/zinc/71/56/82/506715682.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604107052 506715685 /nfs/dbraw/zinc/71/56/85/506715685.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604187943 506742099 /nfs/dbraw/zinc/74/20/99/506742099.db2.gz NDAFPMQGAJASNL-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025808 506749865 /nfs/dbraw/zinc/74/98/65/506749865.db2.gz AIUCBPLRNHGEAS-STZQEDGTSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025808 506749869 /nfs/dbraw/zinc/74/98/69/506749869.db2.gz AIUCBPLRNHGEAS-STZQEDGTSA-N 1 3 369.553 3.073 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868315 /nfs/dbraw/zinc/86/83/15/506868315.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868319 /nfs/dbraw/zinc/86/83/19/506868319.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1)[C@@H](C)c1nc2ccccc2s1 ZINC000583625870 506884191 /nfs/dbraw/zinc/88/41/91/506884191.db2.gz QHZLCAJAYMFNDT-CHWSQXEVSA-N 1 3 370.526 3.163 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000583657186 506898530 /nfs/dbraw/zinc/89/85/30/506898530.db2.gz CMJKPKNSCZOAJS-FQEVSTJZSA-N 1 3 354.542 3.469 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)(C)C ZINC000604827040 506959055 /nfs/dbraw/zinc/95/90/55/506959055.db2.gz KGCBZORIQVPMLA-QGZVFWFLSA-N 1 3 354.583 3.116 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831746 506998928 /nfs/dbraw/zinc/99/89/28/506998928.db2.gz CFMRAVQMOUYEJY-UGKGYDQZSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831746 506998929 /nfs/dbraw/zinc/99/89/29/506998929.db2.gz CFMRAVQMOUYEJY-UGKGYDQZSA-N 1 3 365.521 3.368 20 0 FGADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000594262178 507049270 /nfs/dbraw/zinc/04/92/70/507049270.db2.gz MQULUNKKPCWDBH-LJQANCHMSA-N 1 3 374.529 3.109 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239154 /nfs/dbraw/zinc/23/91/54/507239154.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239160 /nfs/dbraw/zinc/23/91/60/507239160.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(C)C1CC1 ZINC000591555149 507289495 /nfs/dbraw/zinc/28/94/95/507289495.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(C)C1CC1 ZINC000591555149 507289500 /nfs/dbraw/zinc/28/95/00/507289500.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 1 3 372.557 3.200 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccsc1 ZINC000601243239 507309028 /nfs/dbraw/zinc/30/90/28/507309028.db2.gz SPXPRTYONTYLJL-MSOLQXFVSA-N 1 3 366.575 3.303 20 0 FGADHO NC[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459718 507358305 /nfs/dbraw/zinc/35/83/05/507358305.db2.gz MOKYVLJGHFGANO-NHCUHLMSSA-N 1 3 366.509 3.013 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024501 507358722 /nfs/dbraw/zinc/35/87/22/507358722.db2.gz GSFJYYXXUBXYRX-WPGHFRTFSA-N 1 3 370.278 3.351 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024501 507358728 /nfs/dbraw/zinc/35/87/28/507358728.db2.gz GSFJYYXXUBXYRX-WPGHFRTFSA-N 1 3 370.278 3.351 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000584617431 507432840 /nfs/dbraw/zinc/43/28/40/507432840.db2.gz UCTSRYYMIGWNSM-PZJWPPBQSA-N 1 3 358.530 3.054 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756133 507660453 /nfs/dbraw/zinc/66/04/53/507660453.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756133 507660458 /nfs/dbraw/zinc/66/04/58/507660458.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 1 3 357.542 3.276 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000623071310 568239718 /nfs/dbraw/zinc/23/97/18/568239718.db2.gz FHOYVGLLLJSXNF-UXHICEINSA-N 1 3 370.472 3.236 20 0 FGADHO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cc(Br)ccc1[O-] ZINC000155113980 705063553 /nfs/dbraw/zinc/06/35/53/705063553.db2.gz HGOKHNNBKDSQHO-OAHLLOKOSA-N 1 3 359.308 3.164 20 0 FGADHO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cc(Br)ccc1O ZINC000155113980 705063555 /nfs/dbraw/zinc/06/35/55/705063555.db2.gz HGOKHNNBKDSQHO-OAHLLOKOSA-N 1 3 359.308 3.164 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195188320 713548529 /nfs/dbraw/zinc/54/85/29/713548529.db2.gz JOGNGPFMUAFZFD-FQEVSTJZSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926570 714005942 /nfs/dbraw/zinc/00/59/42/714005942.db2.gz NNQLHWUAIQETRH-KYOSRNDESA-N 1 3 354.292 3.026 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577629619 714466377 /nfs/dbraw/zinc/46/63/77/714466377.db2.gz FLMIYAYOPNQZMJ-JLYLLQBASA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000624122862 715477584 /nfs/dbraw/zinc/47/75/84/715477584.db2.gz AEOALGZYLCYTKN-NVXWUHKLSA-N 1 3 350.503 3.485 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416004 /nfs/dbraw/zinc/41/60/04/724416004.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 1 3 353.551 3.297 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416007 /nfs/dbraw/zinc/41/60/07/724416007.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416009 /nfs/dbraw/zinc/41/60/09/724416009.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416011 /nfs/dbraw/zinc/41/60/11/724416011.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 1 3 353.551 3.297 20 0 FGADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654779 715767629 /nfs/dbraw/zinc/76/76/29/715767629.db2.gz QUKODWIPQUXHOZ-GEEKYZPCSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654779 715767633 /nfs/dbraw/zinc/76/76/33/715767633.db2.gz QUKODWIPQUXHOZ-GEEKYZPCSA-N 1 3 368.459 3.449 20 0 FGADHO C[NH2+]CCOCCN[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000629531089 716304341 /nfs/dbraw/zinc/30/43/41/716304341.db2.gz ZVGRIMMGWFNOIC-SFHVURJKSA-N 1 3 363.299 3.364 20 0 FGADHO C[NH2+]CCOCCN[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000629531088 716304661 /nfs/dbraw/zinc/30/46/61/716304661.db2.gz ZVGRIMMGWFNOIC-GOSISDBHSA-N 1 3 363.299 3.364 20 0 FGADHO CC(C)(O)C(C)(C)NCC(C[NH2+]C(C)(C)C(C)(C)O)c1ccccc1 ZINC000639559462 717571882 /nfs/dbraw/zinc/57/18/82/717571882.db2.gz WKLIRAWQIKENLE-UHFFFAOYSA-N 1 3 350.547 3.048 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975972 718391461 /nfs/dbraw/zinc/39/14/61/718391461.db2.gz IHRCCDNWSIBMBO-ULQDDVLXSA-N 1 3 361.555 3.447 20 0 FGADHO Cc1c(Br)cccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350382 718935238 /nfs/dbraw/zinc/93/52/38/718935238.db2.gz WJFFIPBUXLUOPV-JZXOWHBKSA-N 1 3 367.331 3.476 20 0 FGADHO c1ccc([C@@H]2C[NH2+]C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001164623035 719047611 /nfs/dbraw/zinc/04/76/11/719047611.db2.gz LMRHSSLVHSEYHG-GMAHTHKFSA-N 1 3 362.521 3.261 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623349 719105290 /nfs/dbraw/zinc/10/52/90/719105290.db2.gz CNFQIXFCXCZVFK-RTWAWAEBSA-N 1 3 350.510 3.244 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623349 719105298 /nfs/dbraw/zinc/10/52/98/719105298.db2.gz CNFQIXFCXCZVFK-RTWAWAEBSA-N 1 3 350.510 3.244 20 0 FGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349082 719631382 /nfs/dbraw/zinc/63/13/82/719631382.db2.gz ADFPLCKDEBSGKZ-GOSISDBHSA-N 1 3 357.523 3.092 20 0 FGADHO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000659016003 719850642 /nfs/dbraw/zinc/85/06/42/719850642.db2.gz SCWAOKXJUVCPSC-UHFFFAOYSA-N 1 3 368.909 3.014 20 0 FGADHO FC1(F)C[C@H]1OCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978936 719967367 /nfs/dbraw/zinc/96/73/67/719967367.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@H]1OCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978936 719967370 /nfs/dbraw/zinc/96/73/70/719967370.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 1 3 350.453 3.399 20 0 FGADHO Brc1ccccc1[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258510 720405751 /nfs/dbraw/zinc/40/57/51/720405751.db2.gz JFULEXXAETWTPD-CJNGLKHVSA-N 1 3 351.288 3.107 20 0 FGADHO CC(C)(C)N(c1ccc(CN2CCCC2)cn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736191 720546304 /nfs/dbraw/zinc/54/63/04/720546304.db2.gz VJNJJSKIDBTESM-IBGZPJMESA-N 1 3 372.557 3.193 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1Cl ZINC000664172310 720604150 /nfs/dbraw/zinc/60/41/50/720604150.db2.gz GECQMMVTNZNHDB-UONOGXRCSA-N 1 3 372.916 3.111 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1Cl ZINC000664172310 720604152 /nfs/dbraw/zinc/60/41/52/720604152.db2.gz GECQMMVTNZNHDB-UONOGXRCSA-N 1 3 372.916 3.111 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357536 720759259 /nfs/dbraw/zinc/75/92/59/720759259.db2.gz OZOMCEFURXGWGQ-SJORKVTESA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357536 720759264 /nfs/dbraw/zinc/75/92/64/720759264.db2.gz OZOMCEFURXGWGQ-SJORKVTESA-N 1 3 366.937 3.115 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670136241 721519252 /nfs/dbraw/zinc/51/92/52/721519252.db2.gz SHTMOXTVEJRQJJ-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000675178224 721735797 /nfs/dbraw/zinc/73/57/97/721735797.db2.gz VAKSPHHTOWTYQD-MSOLQXFVSA-N 1 3 366.575 3.305 20 0 FGADHO Cc1cc(Br)cn2cc(CN[C@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680636042 722141139 /nfs/dbraw/zinc/14/11/39/722141139.db2.gz MCDULEVOCZSVBF-CYBMUJFWSA-N 1 3 365.319 3.225 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809383 722409772 /nfs/dbraw/zinc/40/97/72/722409772.db2.gz OUVXFIXVIMKUKS-SFHVURJKSA-N 1 3 353.551 3.345 20 0 FGADHO C[NH+](C)CCOc1ccccc1N1CCN(CCc2cccs2)CC1 ZINC000746463935 722603760 /nfs/dbraw/zinc/60/37/60/722603760.db2.gz ZUYNNDHADPXCAK-UHFFFAOYSA-N 1 3 359.539 3.053 20 0 FGADHO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000760840211 723097212 /nfs/dbraw/zinc/09/72/12/723097212.db2.gz GRSYRBNLYHNVAU-SJLPKXTDSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000760840211 723097213 /nfs/dbraw/zinc/09/72/13/723097213.db2.gz GRSYRBNLYHNVAU-SJLPKXTDSA-N 1 3 353.551 3.486 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000796736802 723652687 /nfs/dbraw/zinc/65/26/87/723652687.db2.gz HPMCCPJLPMLPMW-QZWWFDLISA-N 1 3 358.404 3.081 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000796736802 723652690 /nfs/dbraw/zinc/65/26/90/723652690.db2.gz HPMCCPJLPMLPMW-QZWWFDLISA-N 1 3 358.404 3.081 20 0 FGADHO C[C@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[NH+]1CCCCC1 ZINC000770726659 723720178 /nfs/dbraw/zinc/72/01/78/723720178.db2.gz POVKXUHTXIBXKY-QGZVFWFLSA-N 1 3 364.965 3.056 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016221 723774572 /nfs/dbraw/zinc/77/45/72/723774572.db2.gz WNAVFVKURGLZPO-JCGIZDLHSA-N 1 3 372.912 3.239 20 0 FGADHO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000800373011 724188296 /nfs/dbraw/zinc/18/82/96/724188296.db2.gz GBYVRUFOZCJYFY-RDJZCZTQSA-N 1 3 351.535 3.096 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949003 724349691 /nfs/dbraw/zinc/34/96/91/724349691.db2.gz AKGYXAIKAKBUMM-ROUUACIJSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949003 724349693 /nfs/dbraw/zinc/34/96/93/724349693.db2.gz AKGYXAIKAKBUMM-ROUUACIJSA-N 1 3 353.551 3.440 20 0 FGADHO C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949003 724349694 /nfs/dbraw/zinc/34/96/94/724349694.db2.gz AKGYXAIKAKBUMM-ROUUACIJSA-N 1 3 353.551 3.440 20 0 FGADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1Cl ZINC000817984784 727290278 /nfs/dbraw/zinc/29/02/78/727290278.db2.gz ZZMRHRGWASGOFK-INIZCTEOSA-N 1 3 358.917 3.379 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818940696 727328427 /nfs/dbraw/zinc/32/84/27/727328427.db2.gz CBSRIPUMAYYIEK-INIZCTEOSA-N 1 3 359.283 3.084 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818967366 727331946 /nfs/dbraw/zinc/33/19/46/727331946.db2.gz UHAPXRGFIHNCFI-KRWDZBQOSA-N 1 3 371.294 3.086 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395531 729275568 /nfs/dbraw/zinc/27/55/68/729275568.db2.gz WZMJRIHOUVUGHK-JXFKEZNVSA-N 1 3 351.535 3.048 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282843 /nfs/dbraw/zinc/28/28/43/729282843.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 1 3 351.535 3.048 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282846 /nfs/dbraw/zinc/28/28/46/729282846.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 1 3 351.535 3.048 20 0 FGADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292937 729329093 /nfs/dbraw/zinc/32/90/93/729329093.db2.gz WOLVWIVIEINHRA-FGTMMUONSA-N 1 3 353.551 3.438 20 0 FGADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292937 729329096 /nfs/dbraw/zinc/32/90/96/729329096.db2.gz WOLVWIVIEINHRA-FGTMMUONSA-N 1 3 353.551 3.438 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137924 729620483 /nfs/dbraw/zinc/62/04/83/729620483.db2.gz FIFLAIBPGDSNGA-IAGOWNOFSA-N 1 3 368.953 3.306 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000841079279 730208272 /nfs/dbraw/zinc/20/82/72/730208272.db2.gz KUNGYOUVNUBCLE-GOSISDBHSA-N 1 3 358.917 3.433 20 0 FGADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853242003 731686615 /nfs/dbraw/zinc/68/66/15/731686615.db2.gz YVUSKFQFSIPZLU-SOLBZPMBSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853242002 731686691 /nfs/dbraw/zinc/68/66/91/731686691.db2.gz YVUSKFQFSIPZLU-RYRKJORJSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853242001 731686731 /nfs/dbraw/zinc/68/67/31/731686731.db2.gz YVUSKFQFSIPZLU-NUJGCVRESA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862263671 732801551 /nfs/dbraw/zinc/80/15/51/732801551.db2.gz LRROTJBTAKUNSS-OAHLLOKOSA-N 1 3 361.477 3.094 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCCN(C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482245 732839835 /nfs/dbraw/zinc/83/98/35/732839835.db2.gz FVKKEYPLSYVKHJ-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1CN1CCCCC1 ZINC000866442215 733350179 /nfs/dbraw/zinc/35/01/79/733350179.db2.gz HCTWTUJHXLAWIV-RHSMWYFYSA-N 1 3 356.457 3.348 20 0 FGADHO O[C@H](c1ccc(F)cc1)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204802 735737406 /nfs/dbraw/zinc/73/74/06/735737406.db2.gz ISOTWUFUKOXTGG-HXUWFJFHSA-N 1 3 360.498 3.479 20 0 FGADHO O=C(NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)C1CCCCC1 ZINC000873207379 735738031 /nfs/dbraw/zinc/73/80/31/735738031.db2.gz ABCFWWVDDJGBPT-UHFFFAOYSA-N 1 3 361.555 3.055 20 0 FGADHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873211153 735738765 /nfs/dbraw/zinc/73/87/65/735738765.db2.gz IFCCPPPXUHTPAQ-AWEZNQCLSA-N 1 3 355.507 3.371 20 0 FGADHO CCSc1cccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873219067 735739277 /nfs/dbraw/zinc/73/92/77/735739277.db2.gz UAGNJOZFGHAHEW-UHFFFAOYSA-N 1 3 353.495 3.128 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880472624 737178195 /nfs/dbraw/zinc/17/81/95/737178195.db2.gz WANQFYHXGLALQO-UHFFFAOYSA-N 1 3 365.905 3.237 20 0 FGADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000894983754 742360269 /nfs/dbraw/zinc/36/02/69/742360269.db2.gz DVQXRWBYUWBJLO-STQMWFEESA-N 1 3 357.420 3.436 20 0 FGADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000894983754 742360280 /nfs/dbraw/zinc/36/02/80/742360280.db2.gz DVQXRWBYUWBJLO-STQMWFEESA-N 1 3 357.420 3.436 20 0 FGADHO [NH3+]C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373714 759107165 /nfs/dbraw/zinc/10/71/65/759107165.db2.gz PBSREWXKAKRJRK-BBRMVZONSA-N 1 3 361.313 3.230 20 0 FGADHO C[NH+]1CCC(O)(CN[C@@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000925118257 759450275 /nfs/dbraw/zinc/45/02/75/759450275.db2.gz RYLKCMVXLGNBPO-INIZCTEOSA-N 1 3 366.864 3.402 20 0 FGADHO O=C1O[C@H](CN[C@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856998 759560577 /nfs/dbraw/zinc/56/05/77/759560577.db2.gz YQXBLCUYXLWZHA-NHYWBVRUSA-N 1 3 369.292 3.256 20 0 FGADHO CSC1(CN[C@@H](C)c2cccc(Br)n2)CC[NH+](C)CC1 ZINC000926448270 759754713 /nfs/dbraw/zinc/75/47/13/759754713.db2.gz MUWFFKIXBPSVQA-LBPRGKRZSA-N 1 3 358.349 3.322 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)CC[N@@H+]1C ZINC000968867361 762844286 /nfs/dbraw/zinc/84/42/86/762844286.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 1 3 363.571 3.339 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)CC[N@H+]1C ZINC000968867361 762844293 /nfs/dbraw/zinc/84/42/93/762844293.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 1 3 363.571 3.339 20 0 FGADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171354 765866107 /nfs/dbraw/zinc/86/61/07/765866107.db2.gz YNMGUDORHUDRDU-UTGUJQJDSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171354 765866116 /nfs/dbraw/zinc/86/61/16/765866116.db2.gz YNMGUDORHUDRDU-UTGUJQJDSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001027416162 766092938 /nfs/dbraw/zinc/09/29/38/766092938.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001027416162 766092951 /nfs/dbraw/zinc/09/29/51/766092951.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(I)cc2)CC1 ZINC000038098135 205038057 /nfs/dbraw/zinc/03/80/57/205038057.db2.gz FWZJCXPTKPEABT-LBPRGKRZSA-N 1 3 358.267 3.426 20 0 FGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(I)cc2)CC1 ZINC000038098136 205039222 /nfs/dbraw/zinc/03/92/22/205039222.db2.gz FWZJCXPTKPEABT-GFCCVEGCSA-N 1 3 358.267 3.426 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000576692439 505571683 /nfs/dbraw/zinc/57/16/83/505571683.db2.gz FFOVIHWMQIEBHQ-UHFFFAOYSA-N 1 3 363.521 3.194 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000576898306 505619448 /nfs/dbraw/zinc/61/94/48/505619448.db2.gz DSRDGSRZLMKASB-RXVVDRJESA-N 1 3 374.573 3.440 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000576898306 505619452 /nfs/dbraw/zinc/61/94/52/505619452.db2.gz DSRDGSRZLMKASB-RXVVDRJESA-N 1 3 374.573 3.440 20 0 FGADHO CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576925930 505626581 /nfs/dbraw/zinc/62/65/81/505626581.db2.gz WYVNIVNCLMOVOH-IBGZPJMESA-N 1 3 364.493 3.071 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026806 505647397 /nfs/dbraw/zinc/64/73/97/505647397.db2.gz YZDCJRVWZKHASB-ZDUSSCGKSA-N 1 3 364.481 3.010 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000579985066 505656860 /nfs/dbraw/zinc/65/68/60/505656860.db2.gz YAPPUKOEWZVQEG-SFHVURJKSA-N 1 3 356.489 3.474 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000057631019 493780488 /nfs/dbraw/zinc/78/04/88/493780488.db2.gz RNNHVTHAMQDZPC-LJQANCHMSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000057631019 493780491 /nfs/dbraw/zinc/78/04/91/493780491.db2.gz RNNHVTHAMQDZPC-LJQANCHMSA-N 1 3 360.546 3.114 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000075860782 493786866 /nfs/dbraw/zinc/78/68/66/493786866.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 1 3 351.922 3.153 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000075860782 493786868 /nfs/dbraw/zinc/78/68/68/493786868.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 1 3 351.922 3.153 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000076109696 493824200 /nfs/dbraw/zinc/82/42/00/493824200.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 1 3 352.478 3.427 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000076109696 493824206 /nfs/dbraw/zinc/82/42/06/493824206.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 1 3 352.478 3.427 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000061786408 493994646 /nfs/dbraw/zinc/99/46/46/493994646.db2.gz MJBSHQZUABIRON-CTNGQTDRSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000061786408 493994649 /nfs/dbraw/zinc/99/46/49/493994649.db2.gz MJBSHQZUABIRON-CTNGQTDRSA-N 1 3 372.557 3.161 20 0 FGADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085418361 494123904 /nfs/dbraw/zinc/12/39/04/494123904.db2.gz USIKSMJCTHTUIK-GOSISDBHSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC000077754308 494168544 /nfs/dbraw/zinc/16/85/44/494168544.db2.gz IPZRICIQGATPKK-KRWDZBQOSA-N 1 3 356.514 3.036 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000065470350 494201572 /nfs/dbraw/zinc/20/15/72/494201572.db2.gz ISJDTONSPQDBFX-IBGZPJMESA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000065469758 494201763 /nfs/dbraw/zinc/20/17/63/494201763.db2.gz WYZPCNRGTWDRIE-BJLQDIEVSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000065469758 494201765 /nfs/dbraw/zinc/20/17/65/494201765.db2.gz WYZPCNRGTWDRIE-BJLQDIEVSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000043239805 494278961 /nfs/dbraw/zinc/27/89/61/494278961.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000043239805 494278966 /nfs/dbraw/zinc/27/89/66/494278966.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512108 505713021 /nfs/dbraw/zinc/71/30/21/505713021.db2.gz FXPGKAWOLMONGM-ZPUIDXCVSA-N 1 3 368.308 3.158 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079097333 494403329 /nfs/dbraw/zinc/40/33/29/494403329.db2.gz DEZYJVSTOLEYQJ-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO CSC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000090113001 494444268 /nfs/dbraw/zinc/44/42/68/494444268.db2.gz MYLQLYSJYHMVRR-MRXNPFEDSA-N 1 3 352.544 3.190 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000045789885 494463404 /nfs/dbraw/zinc/46/34/04/494463404.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000045789885 494463408 /nfs/dbraw/zinc/46/34/08/494463408.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 1 3 360.546 3.058 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522584 494477243 /nfs/dbraw/zinc/47/72/43/494477243.db2.gz XNXJQTMHZPCMCP-SNRMKQJTSA-N 1 3 362.514 3.122 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554667 494479241 /nfs/dbraw/zinc/47/92/41/494479241.db2.gz PJNAEKHZSKMDMR-NRFANRHFSA-N 1 3 372.557 3.197 20 0 FGADHO CCN(CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537753 /nfs/dbraw/zinc/53/77/53/494537753.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537756 /nfs/dbraw/zinc/53/77/56/494537756.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000079857301 494537759 /nfs/dbraw/zinc/53/77/59/494537759.db2.gz KOTJBHLDRQXEOS-UHFFFAOYSA-N 1 3 366.594 3.404 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000079857301 494537761 /nfs/dbraw/zinc/53/77/61/494537761.db2.gz KOTJBHLDRQXEOS-UHFFFAOYSA-N 1 3 366.594 3.404 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580297498 505726670 /nfs/dbraw/zinc/72/66/70/505726670.db2.gz IFJPKXIAFDFQQR-PZJWPPBQSA-N 1 3 372.488 3.038 20 0 FGADHO CN1CCO[C@H]([C@@H](NCCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391278 494602554 /nfs/dbraw/zinc/60/25/54/494602554.db2.gz KDGLQKWIMLUKRP-PMACEKPBSA-N 1 3 365.949 3.033 20 0 FGADHO C[C@@H](NCc1ccnc(N2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131407836 494608131 /nfs/dbraw/zinc/60/81/31/494608131.db2.gz FIBIXVWEOVQBKJ-GOSISDBHSA-N 1 3 368.525 3.473 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC000067704093 494617544 /nfs/dbraw/zinc/61/75/44/494617544.db2.gz WZDICCFTVGFRJD-FQEVSTJZSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856586 494625214 /nfs/dbraw/zinc/62/52/14/494625214.db2.gz OAGFPFSDZWMQFI-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773242 494643706 /nfs/dbraw/zinc/64/37/06/494643706.db2.gz POCLACBOANKHFD-IBGZPJMESA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000092564293 494671010 /nfs/dbraw/zinc/67/10/10/494671010.db2.gz PVUVFXZGRKROEE-YYZRRKBYSA-N 1 3 368.562 3.366 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000075007911 494671877 /nfs/dbraw/zinc/67/18/77/494671877.db2.gz NVTBKSLOKQXKFV-UHFFFAOYSA-N 1 3 356.514 3.195 20 0 FGADHO CCCn1nc(C)c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587033 494678407 /nfs/dbraw/zinc/67/84/07/494678407.db2.gz IYVOYYOERBFRLJ-CALCHBBNSA-N 1 3 362.562 3.231 20 0 FGADHO CCCn1nc(C)c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587033 494678411 /nfs/dbraw/zinc/67/84/11/494678411.db2.gz IYVOYYOERBFRLJ-CALCHBBNSA-N 1 3 362.562 3.231 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000092739569 494733237 /nfs/dbraw/zinc/73/32/37/494733237.db2.gz QQSHHFYSALFWOU-QGZVFWFLSA-N 1 3 356.489 3.209 20 0 FGADHO C[C@@H](C(=O)NC1CCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821125 494763019 /nfs/dbraw/zinc/76/30/19/494763019.db2.gz JRLKDENHUQRLSJ-KRWDZBQOSA-N 1 3 358.530 3.067 20 0 FGADHO C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821043 494764368 /nfs/dbraw/zinc/76/43/68/494764368.db2.gz NBLOTFBOFZMVNK-SFHVURJKSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821043 494764372 /nfs/dbraw/zinc/76/43/72/494764372.db2.gz NBLOTFBOFZMVNK-SFHVURJKSA-N 1 3 358.530 3.021 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000116410409 494777959 /nfs/dbraw/zinc/77/79/59/494777959.db2.gz KHVRJCMOAVZGDJ-HXUWFJFHSA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116433855 494785027 /nfs/dbraw/zinc/78/50/27/494785027.db2.gz AMEHTUXWNLMLSR-MSOLQXFVSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116433855 494785032 /nfs/dbraw/zinc/78/50/32/494785032.db2.gz AMEHTUXWNLMLSR-MSOLQXFVSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000075565459 494796515 /nfs/dbraw/zinc/79/65/15/494796515.db2.gz ABPZQEHPKLZTQM-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000075565459 494796520 /nfs/dbraw/zinc/79/65/20/494796520.db2.gz ABPZQEHPKLZTQM-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126733889 494828187 /nfs/dbraw/zinc/82/81/87/494828187.db2.gz NINIOWONQMADLR-GOSISDBHSA-N 1 3 353.510 3.293 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000127360018 494932814 /nfs/dbraw/zinc/93/28/14/494932814.db2.gz DFZAHIBNKNYZHO-NRFANRHFSA-N 1 3 358.574 3.133 20 0 FGADHO C[C@H](CNCc1ccccc1N(C)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000133098937 494968890 /nfs/dbraw/zinc/96/88/90/494968890.db2.gz PZKSYNWGDGZFSP-LJQANCHMSA-N 1 3 358.574 3.039 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000122712776 495019892 /nfs/dbraw/zinc/01/98/92/495019892.db2.gz FWQLTEHNJQYCSZ-YKCBXCCJSA-N 1 3 365.949 3.032 20 0 FGADHO CC(C)(CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000097357632 495032464 /nfs/dbraw/zinc/03/24/64/495032464.db2.gz QYXBJRNGPZAUPW-HXUWFJFHSA-N 1 3 372.557 3.387 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCCN1CC ZINC000111511791 495083542 /nfs/dbraw/zinc/08/35/42/495083542.db2.gz YCZTXYRRUXBGJJ-HXUWFJFHSA-N 1 3 360.546 3.154 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N2CCCC2)cc1 ZINC000111845622 495119588 /nfs/dbraw/zinc/11/95/88/495119588.db2.gz MDZWABNMNICZSZ-OAQYLSRUSA-N 1 3 372.557 3.304 20 0 FGADHO COCC1CCN(Cc2ccccc2C[NH+]2CCC(COC)CC2)CC1 ZINC000112352388 495178963 /nfs/dbraw/zinc/17/89/63/495178963.db2.gz JKGFWHMEKPEMDY-UHFFFAOYSA-N 1 3 360.542 3.403 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000103125910 495195244 /nfs/dbraw/zinc/19/52/44/495195244.db2.gz UOWMXLIRZAFOBP-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590873 505767537 /nfs/dbraw/zinc/76/75/37/505767537.db2.gz CVIWOWHGNKHDEY-UEXGIBASSA-N 1 3 355.526 3.085 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228017 /nfs/dbraw/zinc/22/80/17/495228017.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228019 /nfs/dbraw/zinc/22/80/19/495228019.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000112742435 495233914 /nfs/dbraw/zinc/23/39/14/495233914.db2.gz VWWXBISESKHBNV-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000112742435 495233919 /nfs/dbraw/zinc/23/39/19/495233919.db2.gz VWWXBISESKHBNV-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000103555100 495246688 /nfs/dbraw/zinc/24/66/88/495246688.db2.gz OIEVQJDRGMXOLH-KRWDZBQOSA-N 1 3 355.320 3.146 20 0 FGADHO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cccc(OCCN(C)C)c1 ZINC000577655682 505770717 /nfs/dbraw/zinc/77/07/17/505770717.db2.gz VFOZCXNVCMVSFT-DNVCBOLYSA-N 1 3 358.457 3.420 20 0 FGADHO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cccc(OCCN(C)C)c1 ZINC000577655681 505771199 /nfs/dbraw/zinc/77/11/99/505771199.db2.gz VFOZCXNVCMVSFT-BEFAXECRSA-N 1 3 358.457 3.420 20 0 FGADHO C[N@H+](CCN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000104087530 495267591 /nfs/dbraw/zinc/26/75/91/495267591.db2.gz DCMSJLXCQNGJCB-UHFFFAOYSA-N 1 3 351.538 3.369 20 0 FGADHO C[N@@H+](CCN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000104087530 495267596 /nfs/dbraw/zinc/26/75/96/495267596.db2.gz DCMSJLXCQNGJCB-UHFFFAOYSA-N 1 3 351.538 3.369 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000104392017 495282173 /nfs/dbraw/zinc/28/21/73/495282173.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000104392017 495282176 /nfs/dbraw/zinc/28/21/76/495282176.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000105133885 495339675 /nfs/dbraw/zinc/33/96/75/495339675.db2.gz HZXSBPINGAGTCK-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000130611354 495419383 /nfs/dbraw/zinc/41/93/83/495419383.db2.gz JLXUFHILYOPMET-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000130611354 495419386 /nfs/dbraw/zinc/41/93/86/495419386.db2.gz JLXUFHILYOPMET-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114827516 495431945 /nfs/dbraw/zinc/43/19/45/495431945.db2.gz ZLBBPLFWWAJUPL-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO CCn1cc([C@H](C)[NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)cn1 ZINC000120680109 495433893 /nfs/dbraw/zinc/43/38/93/495433893.db2.gz LAMYHDFUIWMSRG-KRWDZBQOSA-N 1 3 356.514 3.474 20 0 FGADHO CC(C)[N@H+](C)CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000106829264 495499410 /nfs/dbraw/zinc/49/94/10/495499410.db2.gz HIJSJXZQWPKGKE-UHFFFAOYSA-N 1 3 351.922 3.008 20 0 FGADHO CC(C)[N@@H+](C)CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000106829264 495499413 /nfs/dbraw/zinc/49/94/13/495499413.db2.gz HIJSJXZQWPKGKE-UHFFFAOYSA-N 1 3 351.922 3.008 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569954 /nfs/dbraw/zinc/56/99/54/495569954.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569958 /nfs/dbraw/zinc/56/99/58/495569958.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 1 3 351.535 3.050 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000574516960 505790531 /nfs/dbraw/zinc/79/05/31/505790531.db2.gz LHUYMTVZFFPWRX-UNMCSNQZSA-N 1 3 372.557 3.372 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605938 /nfs/dbraw/zinc/60/59/38/495605938.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 1 3 370.541 3.092 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605944 /nfs/dbraw/zinc/60/59/44/495605944.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000158945485 495621791 /nfs/dbraw/zinc/62/17/91/495621791.db2.gz UHBOWKXNMUUFEF-YJBOKZPZSA-N 1 3 374.554 3.257 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531124 505794391 /nfs/dbraw/zinc/79/43/91/505794391.db2.gz LYKPTXKYRFSVML-JHJVBQTASA-N 1 3 362.827 3.192 20 0 FGADHO CC[C@@H]1[C@@H](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674099 495673703 /nfs/dbraw/zinc/67/37/03/495673703.db2.gz NHUFSAYUFYLADB-GHTZIAJQSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000150999991 495707850 /nfs/dbraw/zinc/70/78/50/495707850.db2.gz SEHVDDSZHHTYIW-CQSZACIVSA-N 1 3 359.436 3.262 20 0 FGADHO COCC[NH+]1CCC(N[C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154827289 495740756 /nfs/dbraw/zinc/74/07/56/495740756.db2.gz RKFKLUPDRGUSAY-QGZVFWFLSA-N 1 3 371.294 3.276 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884335 495770008 /nfs/dbraw/zinc/77/00/08/495770008.db2.gz KHYCGCYWIZYGGF-IRXDYDNUSA-N 1 3 362.562 3.039 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000580637202 505803084 /nfs/dbraw/zinc/80/30/84/505803084.db2.gz YESJCLGWTIPQCB-KNQAVFIVSA-N 1 3 370.585 3.276 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569593 505804934 /nfs/dbraw/zinc/80/49/34/505804934.db2.gz WCZGGSCVYHGKIN-NRFANRHFSA-N 1 3 368.525 3.101 20 0 FGADHO C[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000577847555 505804271 /nfs/dbraw/zinc/80/42/71/505804271.db2.gz VGSDTTQIRRXXTF-FIKGOQFSSA-N 1 3 366.509 3.059 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000174114851 495826183 /nfs/dbraw/zinc/82/61/83/495826183.db2.gz XXOTYLQDMWSMAQ-OAQYLSRUSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000186117207 495861946 /nfs/dbraw/zinc/86/19/46/495861946.db2.gz IZCNQNVRFQVNKP-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159725 495885516 /nfs/dbraw/zinc/88/55/16/495885516.db2.gz NTIPJCNSSWTRMW-HMFYCAOWSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159725 495885523 /nfs/dbraw/zinc/88/55/23/495885523.db2.gz NTIPJCNSSWTRMW-HMFYCAOWSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159902 495885790 /nfs/dbraw/zinc/88/57/90/495885790.db2.gz NTIPJCNSSWTRMW-FGSXEWAUSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159902 495885797 /nfs/dbraw/zinc/88/57/97/495885797.db2.gz NTIPJCNSSWTRMW-FGSXEWAUSA-N 1 3 356.558 3.359 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174319483 495907484 /nfs/dbraw/zinc/90/74/84/495907484.db2.gz JQARDQCCCLNYSO-MRXNPFEDSA-N 1 3 355.482 3.052 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000151780353 495945121 /nfs/dbraw/zinc/94/51/21/495945121.db2.gz LUUHUOBMQSSUSZ-HOTGVXAUSA-N 1 3 360.477 3.195 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622749 495953146 /nfs/dbraw/zinc/95/31/46/495953146.db2.gz YQJVSZSUZTXJKO-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)c(C)c2)CC1 ZINC000174435954 495958922 /nfs/dbraw/zinc/95/89/22/495958922.db2.gz OFENYJHXGIFAHE-UHFFFAOYSA-N 1 3 372.557 3.196 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174691510 496064010 /nfs/dbraw/zinc/06/40/10/496064010.db2.gz LKVAKLQDERRQCI-VTHDOGFWSA-N 1 3 372.557 3.384 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000174691510 496064013 /nfs/dbraw/zinc/06/40/13/496064013.db2.gz LKVAKLQDERRQCI-VTHDOGFWSA-N 1 3 372.557 3.384 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC[C@H](O)C(F)(F)F)cc1 ZINC000568991601 505826123 /nfs/dbraw/zinc/82/61/23/505826123.db2.gz TWMKRJLFEQHSTR-SFHVURJKSA-N 1 3 352.400 3.428 20 0 FGADHO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000180998800 496235821 /nfs/dbraw/zinc/23/58/21/496235821.db2.gz HTDREMNLVKHOOJ-LJQANCHMSA-N 1 3 367.537 3.397 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(CC)C[C@@H]3C)CC2)cs1 ZINC000161776190 496235944 /nfs/dbraw/zinc/23/59/44/496235944.db2.gz IETMZUHPKHEASP-QFBILLFUSA-N 1 3 364.603 3.237 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000156464902 496252059 /nfs/dbraw/zinc/25/20/59/496252059.db2.gz HPWQHSZJCFHVGD-KRWDZBQOSA-N 1 3 369.509 3.228 20 0 FGADHO CC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000152848415 496274573 /nfs/dbraw/zinc/27/45/73/496274573.db2.gz KFZIORAUNUFYKK-OAQYLSRUSA-N 1 3 351.494 3.303 20 0 FGADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184189290 496279013 /nfs/dbraw/zinc/27/90/13/496279013.db2.gz JORZDQKZYOTEEG-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC1 ZINC000181243605 496326181 /nfs/dbraw/zinc/32/61/81/496326181.db2.gz YRVOZUQVSSUQMY-UHFFFAOYSA-N 1 3 372.557 3.267 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901348 496359837 /nfs/dbraw/zinc/35/98/37/496359837.db2.gz JCYNVROJVUMJKU-QAPCUYQASA-N 1 3 357.523 3.296 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901348 496359844 /nfs/dbraw/zinc/35/98/44/496359844.db2.gz JCYNVROJVUMJKU-QAPCUYQASA-N 1 3 357.523 3.296 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000172613247 496363770 /nfs/dbraw/zinc/36/37/70/496363770.db2.gz MKEIBYZXNZMLFC-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CC[C@@H](C)[C@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000175412882 496380123 /nfs/dbraw/zinc/38/01/23/496380123.db2.gz LGXJKMVRQQAKEF-SJORKVTESA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000172722961 496402555 /nfs/dbraw/zinc/40/25/55/496402555.db2.gz UTKVENWVTVMTTA-QGZVFWFLSA-N 1 3 363.571 3.197 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)CNC1(c2ccccc2)CCC1)c1ccccc1 ZINC000184596505 496456696 /nfs/dbraw/zinc/45/66/96/496456696.db2.gz OVTKUIVQZWMESZ-HXUWFJFHSA-N 1 3 351.494 3.075 20 0 FGADHO C[C@@H](c1ccccc1F)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157491505 496487108 /nfs/dbraw/zinc/48/71/08/496487108.db2.gz RZCVWIRIMWYETI-INIZCTEOSA-N 1 3 363.521 3.303 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707549 496511409 /nfs/dbraw/zinc/51/14/09/496511409.db2.gz UBRUVTDBGYROOU-VXKWHMMOSA-N 1 3 372.553 3.471 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000178690382 496541776 /nfs/dbraw/zinc/54/17/76/496541776.db2.gz VIQOEPZTUYJIFZ-AVRDEDQJSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000178690382 496541779 /nfs/dbraw/zinc/54/17/79/496541779.db2.gz VIQOEPZTUYJIFZ-AVRDEDQJSA-N 1 3 365.521 3.420 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC/C=C/c3ccccc3)CC2)CC1 ZINC000157738990 496541841 /nfs/dbraw/zinc/54/18/41/496541841.db2.gz FTXCNNVOHHKHNC-WEVVVXLNSA-N 1 3 355.526 3.155 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178742401 496557692 /nfs/dbraw/zinc/55/76/92/496557692.db2.gz AAGHIGDOXIRFFC-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCC2 ZINC000181860913 496575612 /nfs/dbraw/zinc/57/56/12/496575612.db2.gz ULNUZORTSUNDBW-RTWAWAEBSA-N 1 3 358.526 3.081 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCN(C)C3CC3)cc2)CC1 ZINC000185124915 496672088 /nfs/dbraw/zinc/67/20/88/496672088.db2.gz RSXRJMNLFFNYDW-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973414 496674537 /nfs/dbraw/zinc/67/45/37/496674537.db2.gz TWMBCZXPNFWNBF-BEFAXECRSA-N 1 3 362.493 3.327 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179122403 496682753 /nfs/dbraw/zinc/68/27/53/496682753.db2.gz HHMWMWOJWOWXPL-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO CC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000182140255 496685107 /nfs/dbraw/zinc/68/51/07/496685107.db2.gz QYLQGQXLLJSIFQ-OAQYLSRUSA-N 1 3 369.553 3.233 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158380713 496689604 /nfs/dbraw/zinc/68/96/04/496689604.db2.gz HTDXBVAICWYVMR-KGLIPLIRSA-N 1 3 353.894 3.058 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158380713 496689611 /nfs/dbraw/zinc/68/96/11/496689611.db2.gz HTDXBVAICWYVMR-KGLIPLIRSA-N 1 3 353.894 3.058 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000158405698 496694441 /nfs/dbraw/zinc/69/44/41/496694441.db2.gz XYTDLUBXCKNVPX-UHFFFAOYSA-N 1 3 374.573 3.400 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246946063 496732785 /nfs/dbraw/zinc/73/27/85/496732785.db2.gz JBAFSRAPWCVEBA-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246946063 496732788 /nfs/dbraw/zinc/73/27/88/496732788.db2.gz JBAFSRAPWCVEBA-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067433 496769855 /nfs/dbraw/zinc/76/98/55/496769855.db2.gz OCVHOGCYVIKHJA-QKLQHJQFSA-N 1 3 364.530 3.491 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000247077626 496772203 /nfs/dbraw/zinc/77/22/03/496772203.db2.gz XKGPYQXXPHNIQX-SQGPQFPESA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748875 496772353 /nfs/dbraw/zinc/77/23/53/496772353.db2.gz GUQQNHDWJYHMIC-OXJNMPFZSA-N 1 3 352.482 3.320 20 0 FGADHO C[C@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748875 496772360 /nfs/dbraw/zinc/77/23/60/496772360.db2.gz GUQQNHDWJYHMIC-OXJNMPFZSA-N 1 3 352.482 3.320 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000273346309 496779752 /nfs/dbraw/zinc/77/97/52/496779752.db2.gz BUYJLANAHSPBPT-SFHVURJKSA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000191490541 496780666 /nfs/dbraw/zinc/78/06/66/496780666.db2.gz HAVXNZGXNFYDAC-UHFFFAOYSA-N 1 3 373.585 3.331 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000191490541 496780670 /nfs/dbraw/zinc/78/06/70/496780670.db2.gz HAVXNZGXNFYDAC-UHFFFAOYSA-N 1 3 373.585 3.331 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782525 496783637 /nfs/dbraw/zinc/78/36/37/496783637.db2.gz UNHOCCAWRWDCBU-UZLBHIALSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782525 496783640 /nfs/dbraw/zinc/78/36/40/496783640.db2.gz UNHOCCAWRWDCBU-UZLBHIALSA-N 1 3 352.482 3.177 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000264120843 496816781 /nfs/dbraw/zinc/81/67/81/496816781.db2.gz VGZHBUYUSLUKOR-UHFFFAOYSA-N 1 3 370.497 3.156 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000264120843 496816784 /nfs/dbraw/zinc/81/67/84/496816784.db2.gz VGZHBUYUSLUKOR-UHFFFAOYSA-N 1 3 370.497 3.156 20 0 FGADHO CC(C)OCC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000578127663 505868423 /nfs/dbraw/zinc/86/84/23/505868423.db2.gz JRJMNSPYXPDGCB-IBGZPJMESA-N 1 3 368.949 3.318 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043583 496948079 /nfs/dbraw/zinc/94/80/79/496948079.db2.gz UJSBPJQXZPIVSN-QFUCXCTJSA-N 1 3 360.542 3.140 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043583 496948086 /nfs/dbraw/zinc/94/80/86/496948086.db2.gz UJSBPJQXZPIVSN-QFUCXCTJSA-N 1 3 360.542 3.140 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000269511850 496961907 /nfs/dbraw/zinc/96/19/07/496961907.db2.gz OVLGTQQWVSRYGJ-DUXKGJEZSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000269511850 496961911 /nfs/dbraw/zinc/96/19/11/496961911.db2.gz OVLGTQQWVSRYGJ-DUXKGJEZSA-N 1 3 351.494 3.103 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248146944 496962608 /nfs/dbraw/zinc/96/26/08/496962608.db2.gz QHWSHYALYNUSKE-CRAIPNDOSA-N 1 3 355.482 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248146944 496962612 /nfs/dbraw/zinc/96/26/12/496962612.db2.gz QHWSHYALYNUSKE-CRAIPNDOSA-N 1 3 355.482 3.051 20 0 FGADHO COc1cc(OC)c([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152742 496964602 /nfs/dbraw/zinc/96/46/02/496964602.db2.gz QYLBDYLPSZWTGK-GJZGRUSLSA-N 1 3 370.921 3.245 20 0 FGADHO COc1cc(OC)c([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152742 496964603 /nfs/dbraw/zinc/96/46/03/496964603.db2.gz QYLBDYLPSZWTGK-GJZGRUSLSA-N 1 3 370.921 3.245 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155070 496965245 /nfs/dbraw/zinc/96/52/45/496965245.db2.gz RFWSYWOITGHKEE-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155070 496965251 /nfs/dbraw/zinc/96/52/51/496965251.db2.gz RFWSYWOITGHKEE-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO CN(C)CCN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189033344 496984528 /nfs/dbraw/zinc/98/45/28/496984528.db2.gz OCPAYCKZRRXGHQ-UHFFFAOYSA-N 1 3 363.855 3.474 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)COc1ccccc1 ZINC000248402619 496996789 /nfs/dbraw/zinc/99/67/89/496996789.db2.gz VSWJQGFSIJAXTN-JROBLHLSSA-N 1 3 368.521 3.173 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)COc1ccccc1 ZINC000248402619 496996794 /nfs/dbraw/zinc/99/67/94/496996794.db2.gz VSWJQGFSIJAXTN-JROBLHLSSA-N 1 3 368.521 3.173 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418791 497004845 /nfs/dbraw/zinc/00/48/45/497004845.db2.gz TZHZAYOXYRPJRU-RABNCREUSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418791 497004849 /nfs/dbraw/zinc/00/48/49/497004849.db2.gz TZHZAYOXYRPJRU-RABNCREUSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418791 497004850 /nfs/dbraw/zinc/00/48/50/497004850.db2.gz TZHZAYOXYRPJRU-RABNCREUSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192183016 497025876 /nfs/dbraw/zinc/02/58/76/497025876.db2.gz HHGXSKMHFJESJP-LMMKCTJWSA-N 1 3 356.510 3.218 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532635 497032371 /nfs/dbraw/zinc/03/23/71/497032371.db2.gz YPAAEZGVNNHKAC-RTBURBONSA-N 1 3 366.571 3.259 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532635 497032377 /nfs/dbraw/zinc/03/23/77/497032377.db2.gz YPAAEZGVNNHKAC-RTBURBONSA-N 1 3 366.571 3.259 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000248742807 497095132 /nfs/dbraw/zinc/09/51/32/497095132.db2.gz AJXAMZGAAVDHIK-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000248742807 497095138 /nfs/dbraw/zinc/09/51/38/497095138.db2.gz AJXAMZGAAVDHIK-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248742807 497095145 /nfs/dbraw/zinc/09/51/45/497095145.db2.gz AJXAMZGAAVDHIK-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO c1c(CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432727 497097317 /nfs/dbraw/zinc/09/73/17/497097317.db2.gz WBOFHUZSWNXKFS-SXLOBPIMSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432727 497097322 /nfs/dbraw/zinc/09/73/22/497097322.db2.gz WBOFHUZSWNXKFS-SXLOBPIMSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432727 497097324 /nfs/dbraw/zinc/09/73/24/497097324.db2.gz WBOFHUZSWNXKFS-SXLOBPIMSA-N 1 3 368.550 3.032 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229709 505884637 /nfs/dbraw/zinc/88/46/37/505884637.db2.gz MZNQWZGDKCNKTL-BBRMVZONSA-N 1 3 353.388 3.071 20 0 FGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822147 497109923 /nfs/dbraw/zinc/10/99/23/497109923.db2.gz XTSJLGMJHIWRGA-YUMYIRISSA-N 1 3 354.538 3.488 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236661230 497129067 /nfs/dbraw/zinc/12/90/67/497129067.db2.gz MWHZQDNLASRFDM-FGZHOGPDSA-N 1 3 365.521 3.318 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236907244 497167621 /nfs/dbraw/zinc/16/76/21/497167621.db2.gz FUMMYXUNILZWJF-LAUBAEHRSA-N 1 3 353.510 3.481 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000189668419 497203094 /nfs/dbraw/zinc/20/30/94/497203094.db2.gz YLEUPGQBHFAPFN-GOSISDBHSA-N 1 3 360.546 3.195 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000270829797 497211225 /nfs/dbraw/zinc/21/12/25/497211225.db2.gz CKZHQYZOXSDVDH-UHFFFAOYSA-N 1 3 352.526 3.225 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574963120 505892086 /nfs/dbraw/zinc/89/20/86/505892086.db2.gz ZXPMNIPBCRAIMU-CEWLAPEOSA-N 1 3 363.505 3.292 20 0 FGADHO COc1cccc(CCC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270915732 497225649 /nfs/dbraw/zinc/22/56/49/497225649.db2.gz OMTTUXZXHPVMSE-UHFFFAOYSA-N 1 3 359.558 3.118 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014598 497232631 /nfs/dbraw/zinc/23/26/31/497232631.db2.gz UJSBQLHMCRVREE-GHTZIAJQSA-N 1 3 357.542 3.087 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014598 497232637 /nfs/dbraw/zinc/23/26/37/497232637.db2.gz UJSBQLHMCRVREE-GHTZIAJQSA-N 1 3 357.542 3.087 20 0 FGADHO c1ccc(CN2CC[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932016 497251420 /nfs/dbraw/zinc/25/14/20/497251420.db2.gz LCNUPBRFIOJSEH-OAQYLSRUSA-N 1 3 350.510 3.294 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237563904 497255530 /nfs/dbraw/zinc/25/55/30/497255530.db2.gz PSTHZMKRKNKTOS-MOXQZVSFSA-N 1 3 365.521 3.492 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237563904 497255535 /nfs/dbraw/zinc/25/55/35/497255535.db2.gz PSTHZMKRKNKTOS-MOXQZVSFSA-N 1 3 365.521 3.492 20 0 FGADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000574972489 505894910 /nfs/dbraw/zinc/89/49/10/505894910.db2.gz KXMMCBFSMFDCQC-PLACYPQZSA-N 1 3 354.498 3.206 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277934 505895062 /nfs/dbraw/zinc/89/50/62/505895062.db2.gz NUAUMKPVSNJVFG-HKBOAZHASA-N 1 3 364.505 3.118 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266332259 497307118 /nfs/dbraw/zinc/30/71/18/497307118.db2.gz XRUSWCAGQWBKNA-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190066384 497343926 /nfs/dbraw/zinc/34/39/26/497343926.db2.gz TZGUFWCPTGKKAR-CEXWTWQISA-N 1 3 363.571 3.059 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066810 497344332 /nfs/dbraw/zinc/34/43/32/497344332.db2.gz PHDYWRCWZTWVPV-GOSISDBHSA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066810 497344334 /nfs/dbraw/zinc/34/43/34/497344334.db2.gz PHDYWRCWZTWVPV-GOSISDBHSA-N 1 3 371.529 3.058 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202679 497377056 /nfs/dbraw/zinc/37/70/56/497377056.db2.gz VMLNAAAXGKXYOH-XWTMOSNGSA-N 1 3 363.571 3.338 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202679 497377063 /nfs/dbraw/zinc/37/70/63/497377063.db2.gz VMLNAAAXGKXYOH-XWTMOSNGSA-N 1 3 363.571 3.338 20 0 FGADHO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000193474508 497390492 /nfs/dbraw/zinc/39/04/92/497390492.db2.gz NTCUTDUUVMJYIV-INIZCTEOSA-N 1 3 364.921 3.262 20 0 FGADHO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000193474508 497390498 /nfs/dbraw/zinc/39/04/98/497390498.db2.gz NTCUTDUUVMJYIV-INIZCTEOSA-N 1 3 364.921 3.262 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245539406 497445968 /nfs/dbraw/zinc/44/59/68/497445968.db2.gz HRIWMTPKZMTJPK-RZBXZUARSA-N 1 3 351.535 3.379 20 0 FGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000279472346 497448486 /nfs/dbraw/zinc/44/84/86/497448486.db2.gz KCMCMMDQSAECRX-WTNAPCKOSA-N 1 3 354.494 3.119 20 0 FGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000279472356 497448824 /nfs/dbraw/zinc/44/88/24/497448824.db2.gz KCMCMMDQSAECRX-YHYVQYDKSA-N 1 3 354.494 3.119 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193716929 497457291 /nfs/dbraw/zinc/45/72/91/497457291.db2.gz JIHLQXBQVUZKRZ-FQEVSTJZSA-N 1 3 366.509 3.392 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193716929 497457296 /nfs/dbraw/zinc/45/72/96/497457296.db2.gz JIHLQXBQVUZKRZ-FQEVSTJZSA-N 1 3 366.509 3.392 20 0 FGADHO C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000275973234 497472851 /nfs/dbraw/zinc/47/28/51/497472851.db2.gz NSTGYAGRPOBZGW-GOSISDBHSA-N 1 3 355.526 3.055 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000245765173 497531878 /nfs/dbraw/zinc/53/18/78/497531878.db2.gz QQDOWVAZWVXXPQ-KNQAVFIVSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)C1CCN(C)CC1 ZINC000245765173 497531879 /nfs/dbraw/zinc/53/18/79/497531879.db2.gz QQDOWVAZWVXXPQ-KNQAVFIVSA-N 1 3 357.542 3.218 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971502 497536119 /nfs/dbraw/zinc/53/61/19/497536119.db2.gz GKKBSVDAWUOZNK-LJQANCHMSA-N 1 3 353.938 3.035 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441523 497552797 /nfs/dbraw/zinc/55/27/97/497552797.db2.gz CJMSDOZIBBWUJZ-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441523 497552802 /nfs/dbraw/zinc/55/28/02/497552802.db2.gz CJMSDOZIBBWUJZ-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000262462745 497560800 /nfs/dbraw/zinc/56/08/00/497560800.db2.gz XJHAVQPJSWXKAG-SYURHXKASA-N 1 3 369.553 3.263 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(CC)CC)cc1 ZINC000572223219 505918411 /nfs/dbraw/zinc/91/84/11/505918411.db2.gz IOGBCBGPCPNKME-TZIWHRDSSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000572223219 505918413 /nfs/dbraw/zinc/91/84/13/505918413.db2.gz IOGBCBGPCPNKME-TZIWHRDSSA-N 1 3 374.573 3.273 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132466 497632130 /nfs/dbraw/zinc/63/21/30/497632130.db2.gz BBGRFBMUOVIIMV-DBXWQHBBSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132466 497632132 /nfs/dbraw/zinc/63/21/32/497632132.db2.gz BBGRFBMUOVIIMV-DBXWQHBBSA-N 1 3 372.557 3.194 20 0 FGADHO C=Cn1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194353666 497641945 /nfs/dbraw/zinc/64/19/45/497641945.db2.gz XWOSTGBOKYGPIH-UHFFFAOYSA-N 1 3 354.498 3.145 20 0 FGADHO FC(F)(F)CCN1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000272487916 497642813 /nfs/dbraw/zinc/64/28/13/497642813.db2.gz BXVCODWLSCUYNC-UHFFFAOYSA-N 1 3 370.463 3.304 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1OCCN1CCCC1 ZINC000262949010 497665026 /nfs/dbraw/zinc/66/50/26/497665026.db2.gz JJAXZLMIDKTYCR-WIYYLYMNSA-N 1 3 359.514 3.316 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246649 497673533 /nfs/dbraw/zinc/67/35/33/497673533.db2.gz DUXKXKSJFFIKIG-BPQIPLTHSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246649 497673540 /nfs/dbraw/zinc/67/35/40/497673540.db2.gz DUXKXKSJFFIKIG-BPQIPLTHSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246649 497673545 /nfs/dbraw/zinc/67/35/45/497673545.db2.gz DUXKXKSJFFIKIG-BPQIPLTHSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246649 497673552 /nfs/dbraw/zinc/67/35/52/497673552.db2.gz DUXKXKSJFFIKIG-BPQIPLTHSA-N 1 3 356.432 3.025 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CCN(C)CC1 ZINC000272721687 497712226 /nfs/dbraw/zinc/71/22/26/497712226.db2.gz JFJFWRQYMBPSJD-IRXDYDNUSA-N 1 3 358.530 3.065 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272730715 497714924 /nfs/dbraw/zinc/71/49/24/497714924.db2.gz ILBQXRNQKYHDJP-SIKLNZKXSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730715 497714930 /nfs/dbraw/zinc/71/49/30/497714930.db2.gz ILBQXRNQKYHDJP-SIKLNZKXSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)cc2)C1 ZINC000246402904 497722326 /nfs/dbraw/zinc/72/23/26/497722326.db2.gz KADRFQKNWLKDDA-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)cc2)C1 ZINC000246402904 497722328 /nfs/dbraw/zinc/72/23/28/497722328.db2.gz KADRFQKNWLKDDA-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC000263173543 497724336 /nfs/dbraw/zinc/72/43/36/497724336.db2.gz GAOHCAHYCPELCV-RQGSJKACSA-N 1 3 357.542 3.406 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246482369 497748474 /nfs/dbraw/zinc/74/84/74/497748474.db2.gz VULMOYJEQOFEDH-PXNSSMCTSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000263288642 497750172 /nfs/dbraw/zinc/75/01/72/497750172.db2.gz VSJBNBJQPBCWBE-VCOUNFBDSA-N 1 3 365.521 3.003 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000263288642 497750175 /nfs/dbraw/zinc/75/01/75/497750175.db2.gz VSJBNBJQPBCWBE-VCOUNFBDSA-N 1 3 365.521 3.003 20 0 FGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263310248 497755012 /nfs/dbraw/zinc/75/50/12/497755012.db2.gz YLRXVWMQYKYJJI-ICSRJNTNSA-N 1 3 361.555 3.124 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000246510499 497759111 /nfs/dbraw/zinc/75/91/11/497759111.db2.gz UABMWBCCMGLZKI-MTNREXPMSA-N 1 3 368.525 3.291 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246545599 497769757 /nfs/dbraw/zinc/76/97/57/497769757.db2.gz XXBLQHRSLFDVGH-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246545599 497769758 /nfs/dbraw/zinc/76/97/58/497769758.db2.gz XXBLQHRSLFDVGH-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@@H](O)Cc1ccccc1 ZINC000246591759 497783764 /nfs/dbraw/zinc/78/37/64/497783764.db2.gz ZKKYRHNSNOSYTR-SVMVAKDDSA-N 1 3 356.510 3.270 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000246901093 497819588 /nfs/dbraw/zinc/81/95/88/497819588.db2.gz FHXRWMNIMCRFGO-MSOLQXFVSA-N 1 3 364.530 3.491 20 0 FGADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246910662 497820051 /nfs/dbraw/zinc/82/00/51/497820051.db2.gz FWNPXHASBVRQIM-KURKYZTESA-N 1 3 362.514 3.215 20 0 FGADHO COC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000285050741 497980455 /nfs/dbraw/zinc/98/04/55/497980455.db2.gz LEHNDBBLNCTUEQ-UHFFFAOYSA-N 1 3 368.477 3.236 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3CN)ccc21 ZINC000575311801 505958242 /nfs/dbraw/zinc/95/82/42/505958242.db2.gz YTMMPQFEVMUZQT-NHCUHLMSSA-N 1 3 364.493 3.326 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296598607 498114755 /nfs/dbraw/zinc/11/47/55/498114755.db2.gz AIKKIACPCHRYCR-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000285547680 498125173 /nfs/dbraw/zinc/12/51/73/498125173.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 1 3 360.889 3.490 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000285547680 498125181 /nfs/dbraw/zinc/12/51/81/498125181.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 1 3 360.889 3.490 20 0 FGADHO CCn1ccnc1[C@H](C)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000296698879 498158642 /nfs/dbraw/zinc/15/86/42/498158642.db2.gz HNWUVPULQXORCE-SFHVURJKSA-N 1 3 356.514 3.271 20 0 FGADHO CN1CCC[C@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486899 505999446 /nfs/dbraw/zinc/99/94/46/505999446.db2.gz INBXPRHVAXFWSU-QAPCUYQASA-N 1 3 371.447 3.334 20 0 FGADHO C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000297373583 498424827 /nfs/dbraw/zinc/42/48/27/498424827.db2.gz HWXOVNFMRSUBJH-GCJKJVERSA-N 1 3 350.510 3.303 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000290319513 498507610 /nfs/dbraw/zinc/50/76/10/498507610.db2.gz OEGRYGCXZONRGT-IPMKNSEASA-N 1 3 362.489 3.179 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297627954 498516737 /nfs/dbraw/zinc/51/67/37/498516737.db2.gz LUDQSTOJGDESBQ-GCJKJVERSA-N 1 3 350.510 3.161 20 0 FGADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282516568 498542862 /nfs/dbraw/zinc/54/28/62/498542862.db2.gz ZJDUMNJBLYLPCS-SFHVURJKSA-N 1 3 374.573 3.143 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732904 506056208 /nfs/dbraw/zinc/05/62/08/506056208.db2.gz UZXOEAPGJVGFDE-SFHVURJKSA-N 1 3 367.484 3.286 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732904 506056211 /nfs/dbraw/zinc/05/62/11/506056211.db2.gz UZXOEAPGJVGFDE-SFHVURJKSA-N 1 3 367.484 3.286 20 0 FGADHO CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294097174 498587098 /nfs/dbraw/zinc/58/70/98/498587098.db2.gz BQYICXMLZCNZAU-NRFANRHFSA-N 1 3 353.510 3.442 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CCN(C)CC1 ZINC000581813435 506067449 /nfs/dbraw/zinc/06/74/49/506067449.db2.gz HQLRALXWOWOOPB-CYBMUJFWSA-N 1 3 366.303 3.018 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827004 498656998 /nfs/dbraw/zinc/65/69/98/498656998.db2.gz RJHJCQYPBJTOPC-MXEMCNAFSA-N 1 3 356.510 3.457 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827004 498657002 /nfs/dbraw/zinc/65/70/02/498657002.db2.gz RJHJCQYPBJTOPC-MXEMCNAFSA-N 1 3 356.510 3.457 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827006 498657530 /nfs/dbraw/zinc/65/75/30/498657530.db2.gz RJHJCQYPBJTOPC-PLACYPQZSA-N 1 3 356.510 3.457 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827006 498657532 /nfs/dbraw/zinc/65/75/32/498657532.db2.gz RJHJCQYPBJTOPC-PLACYPQZSA-N 1 3 356.510 3.457 20 0 FGADHO c1cc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)ccn1 ZINC000298252803 498709846 /nfs/dbraw/zinc/70/98/46/498709846.db2.gz DPDTZPWGVOGHAT-UHFFFAOYSA-N 1 3 351.498 3.226 20 0 FGADHO C[NH+](C)CC1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000579043656 506081307 /nfs/dbraw/zinc/08/13/07/506081307.db2.gz VIPZRRJUJMISLP-UHFFFAOYSA-N 1 3 365.319 3.307 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298443938 498774010 /nfs/dbraw/zinc/77/40/10/498774010.db2.gz NNTZDBGQCYKRQU-KRWDZBQOSA-N 1 3 374.529 3.287 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287583159 498803681 /nfs/dbraw/zinc/80/36/81/498803681.db2.gz HNOSOCKQHDDKJY-QGZVFWFLSA-N 1 3 362.481 3.230 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936323 498832744 /nfs/dbraw/zinc/83/27/44/498832744.db2.gz YZPVOVASBRWFEN-WMLDXEAASA-N 1 3 356.507 3.144 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NCCn2cncn2)c2ccc(F)cc2)CC1 ZINC000291219247 498848935 /nfs/dbraw/zinc/84/89/35/498848935.db2.gz NGJBZCQOXXOEME-HXUWFJFHSA-N 1 3 359.493 3.260 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](CCCOC)CC2)c2ccccc21 ZINC000283360937 498862411 /nfs/dbraw/zinc/86/24/11/498862411.db2.gz NDSRANYKHACWGR-RTWAWAEBSA-N 1 3 374.525 3.259 20 0 FGADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291957 506123346 /nfs/dbraw/zinc/12/33/46/506123346.db2.gz XVAAOEVRCRFBJE-GOSISDBHSA-N 1 3 355.457 3.348 20 0 FGADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291957 506123351 /nfs/dbraw/zinc/12/33/51/506123351.db2.gz XVAAOEVRCRFBJE-GOSISDBHSA-N 1 3 355.457 3.348 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccc(F)cc2C1 ZINC000366731541 499052505 /nfs/dbraw/zinc/05/25/05/499052505.db2.gz GJXQNLKGHGIKTH-FQEVSTJZSA-N 1 3 361.505 3.331 20 0 FGADHO CC(C)c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299458430 499064722 /nfs/dbraw/zinc/06/47/22/499064722.db2.gz SLMBVJYDJPWUFF-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293458 506135332 /nfs/dbraw/zinc/13/53/32/506135332.db2.gz LILBDDBTISXPDA-UKRRQHHQSA-N 1 3 369.431 3.170 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000369882888 499144575 /nfs/dbraw/zinc/14/45/75/499144575.db2.gz NYKFUTGPHAHLDB-WMLDXEAASA-N 1 3 366.347 3.268 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579270230 506133117 /nfs/dbraw/zinc/13/31/17/506133117.db2.gz YFSJBIMBXHLOLT-UHFFFAOYSA-N 1 3 359.539 3.056 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@@H](C)O1 ZINC000372841101 499182841 /nfs/dbraw/zinc/18/28/41/499182841.db2.gz WXPPNJGKVJPYRD-QZTJIDSGSA-N 1 3 356.514 3.066 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676625 499243420 /nfs/dbraw/zinc/24/34/20/499243420.db2.gz MOROMUSSFUTGSW-BPQIPLTHSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676625 499243421 /nfs/dbraw/zinc/24/34/21/499243421.db2.gz MOROMUSSFUTGSW-BPQIPLTHSA-N 1 3 363.933 3.293 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367995222 499253198 /nfs/dbraw/zinc/25/31/98/499253198.db2.gz YDTRPUACEGBEEW-SFUIVIKGSA-N 1 3 362.489 3.301 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367995222 499253200 /nfs/dbraw/zinc/25/32/00/499253200.db2.gz YDTRPUACEGBEEW-SFUIVIKGSA-N 1 3 362.489 3.301 20 0 FGADHO C[C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213419 499274478 /nfs/dbraw/zinc/27/44/78/499274478.db2.gz KXGBIHJHQARMOY-AZUAARDMSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000368213419 499274480 /nfs/dbraw/zinc/27/44/80/499274480.db2.gz KXGBIHJHQARMOY-AZUAARDMSA-N 1 3 365.521 3.389 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361952 499288914 /nfs/dbraw/zinc/28/89/14/499288914.db2.gz DTNRBUJQBJLYMT-PKOBYXMFSA-N 1 3 366.509 3.338 20 0 FGADHO Cc1noc(C)c1CN1CCC2(CC[N@H+](Cc3c(C)noc3C)C2)CC1 ZINC000368770468 499330313 /nfs/dbraw/zinc/33/03/13/499330313.db2.gz POMHVCZBUDTZBH-UHFFFAOYSA-N 1 3 358.486 3.384 20 0 FGADHO Cc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3c(C)noc3C)C2)CC1 ZINC000368770468 499330314 /nfs/dbraw/zinc/33/03/14/499330314.db2.gz POMHVCZBUDTZBH-UHFFFAOYSA-N 1 3 358.486 3.384 20 0 FGADHO CN(Cc1csc(C(C)(C)C)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373216464 499457884 /nfs/dbraw/zinc/45/78/84/499457884.db2.gz MINYFQNGBKZYSX-KRWDZBQOSA-N 1 3 350.576 3.041 20 0 FGADHO CN1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000373252300 499459952 /nfs/dbraw/zinc/45/99/52/499459952.db2.gz MNCWMVKAQPSTMB-SEJPIABJSA-N 1 3 355.526 3.030 20 0 FGADHO CN1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000373252300 499459953 /nfs/dbraw/zinc/45/99/53/499459953.db2.gz MNCWMVKAQPSTMB-SEJPIABJSA-N 1 3 355.526 3.030 20 0 FGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000378212625 499490620 /nfs/dbraw/zinc/49/06/20/499490620.db2.gz VXMCNPSEEJHCBX-SFHVURJKSA-N 1 3 372.538 3.041 20 0 FGADHO Cc1ncc(CN2CC[C@@H]([NH2+]CCCN3CCCCC3)[C@H](C)C2)s1 ZINC000375484589 499524301 /nfs/dbraw/zinc/52/43/01/499524301.db2.gz BVDAMXZEKUBYFX-VQIMIIECSA-N 1 3 350.576 3.128 20 0 FGADHO Cc1ncc(CN2CC[C@@H]([NH2+]CCCN3CCCCC3)[C@@H](C)C2)s1 ZINC000375484587 499524550 /nfs/dbraw/zinc/52/45/50/499524550.db2.gz BVDAMXZEKUBYFX-QFBILLFUSA-N 1 3 350.576 3.128 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654145 499542453 /nfs/dbraw/zinc/54/24/53/499542453.db2.gz HMMJQFSPWWUINM-HOJAQTOUSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654145 499542455 /nfs/dbraw/zinc/54/24/55/499542455.db2.gz HMMJQFSPWWUINM-HOJAQTOUSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766716 499545946 /nfs/dbraw/zinc/54/59/46/499545946.db2.gz VYQZYAKNTYFJFW-XQBPLPMBSA-N 1 3 365.521 3.446 20 0 FGADHO COc1cc(Br)c(CNCC2(C)CC[NH+](C)CC2)cc1OC ZINC000389031237 499552211 /nfs/dbraw/zinc/55/22/11/499552211.db2.gz ONOMSCNTVNJJIU-UHFFFAOYSA-N 1 3 371.319 3.288 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000377689325 499720245 /nfs/dbraw/zinc/72/02/45/499720245.db2.gz DPWQCKIKHPQXSZ-ONEGZZNKSA-N 1 3 363.496 3.328 20 0 FGADHO CCCNC(=O)CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306024 499724280 /nfs/dbraw/zinc/72/42/80/499724280.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 1 3 357.542 3.281 20 0 FGADHO CCCNC(=O)CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306024 499724282 /nfs/dbraw/zinc/72/42/82/499724282.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 1 3 357.542 3.281 20 0 FGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000411517153 499750511 /nfs/dbraw/zinc/75/05/11/499750511.db2.gz ZUPONVBZPGSLMV-UHFFFAOYSA-N 1 3 358.526 3.302 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414326932 499778197 /nfs/dbraw/zinc/77/81/97/499778197.db2.gz ODFUMSIRSOLDRX-KRWDZBQOSA-N 1 3 357.542 3.442 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000414337876 499778838 /nfs/dbraw/zinc/77/88/38/499778838.db2.gz JWDSSESYRUIJJA-UXHICEINSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342336 499779359 /nfs/dbraw/zinc/77/93/59/499779359.db2.gz PEJUZXZCSAHVGK-CBGDNZLLSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000414394084 499785777 /nfs/dbraw/zinc/78/57/77/499785777.db2.gz OVNDSTKPBVXNCW-IRXDYDNUSA-N 1 3 374.504 3.299 20 0 FGADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414441977 499792723 /nfs/dbraw/zinc/79/27/23/499792723.db2.gz PBULKKQPLJPSDN-UHFFFAOYSA-N 1 3 357.464 3.472 20 0 FGADHO CCc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414558981 499809143 /nfs/dbraw/zinc/80/91/43/499809143.db2.gz TZZOWQWGFYVMNT-UHFFFAOYSA-N 1 3 365.521 3.236 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997461 499811532 /nfs/dbraw/zinc/81/15/32/499811532.db2.gz IAMLXJHOLZDUSK-NHCUHLMSSA-N 1 3 357.542 3.245 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000412050551 499817220 /nfs/dbraw/zinc/81/72/20/499817220.db2.gz YRZLDBDNZCJIRX-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO NCC(=O)N1CCC[C@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000414679193 499820028 /nfs/dbraw/zinc/82/00/28/499820028.db2.gz LKVLYZOIPYVYQB-OAHLLOKOSA-N 1 3 363.552 3.009 20 0 FGADHO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708954 499821766 /nfs/dbraw/zinc/82/17/66/499821766.db2.gz QQIIQQHPLLMQGS-NRFANRHFSA-N 1 3 365.521 3.195 20 0 FGADHO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414708954 499821767 /nfs/dbraw/zinc/82/17/67/499821767.db2.gz QQIIQQHPLLMQGS-NRFANRHFSA-N 1 3 365.521 3.195 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412145880 499827835 /nfs/dbraw/zinc/82/78/35/499827835.db2.gz DJZOUGGKUHUQCR-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412145880 499827836 /nfs/dbraw/zinc/82/78/36/499827836.db2.gz DJZOUGGKUHUQCR-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO COc1ccc(Br)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788510 499831362 /nfs/dbraw/zinc/83/13/62/499831362.db2.gz WTVPPHCUVHPUAR-ZIAGYGMSSA-N 1 3 353.304 3.279 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848309 499837487 /nfs/dbraw/zinc/83/74/87/499837487.db2.gz GLNZKTWAAMOYFK-MELADBBJSA-N 1 3 353.894 3.043 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](CN)CC(C)C)c2)cc1 ZINC000414856942 499838735 /nfs/dbraw/zinc/83/87/35/499838735.db2.gz ZTCVMEARBCFFMH-LJQANCHMSA-N 1 3 355.482 3.411 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899233 499842900 /nfs/dbraw/zinc/84/29/00/499842900.db2.gz CITWHVWEAQRITF-DYVFJYSZSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899233 499842902 /nfs/dbraw/zinc/84/29/02/499842902.db2.gz CITWHVWEAQRITF-DYVFJYSZSA-N 1 3 357.420 3.402 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414902225 499843399 /nfs/dbraw/zinc/84/33/99/499843399.db2.gz GYGWWULQSFIPIP-SCLBCKFNSA-N 1 3 353.894 3.045 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902225 499843401 /nfs/dbraw/zinc/84/34/01/499843401.db2.gz GYGWWULQSFIPIP-SCLBCKFNSA-N 1 3 353.894 3.045 20 0 FGADHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414928850 499845452 /nfs/dbraw/zinc/84/54/52/499845452.db2.gz NNOAWAPCQSNCRY-SFHVURJKSA-N 1 3 363.933 3.312 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993093 499852677 /nfs/dbraw/zinc/85/26/77/499852677.db2.gz CDRPUWJYKLNVJT-NWDGAFQWSA-N 1 3 354.285 3.181 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000415026835 499856209 /nfs/dbraw/zinc/85/62/09/499856209.db2.gz UYPLPKFXBFJGLB-JOCQHMNTSA-N 1 3 371.319 3.321 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294690 506164042 /nfs/dbraw/zinc/16/40/42/506164042.db2.gz LWDCWTFBDFUEEQ-LJQANCHMSA-N 1 3 362.876 3.378 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415556074 499901856 /nfs/dbraw/zinc/90/18/56/499901856.db2.gz CDNQNJOFSLOYDR-UHFFFAOYSA-N 1 3 354.498 3.174 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415880211 499923806 /nfs/dbraw/zinc/92/38/06/499923806.db2.gz FBRPUPGUNZHJOF-CALCHBBNSA-N 1 3 358.530 3.212 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415880211 499923808 /nfs/dbraw/zinc/92/38/08/499923808.db2.gz FBRPUPGUNZHJOF-CALCHBBNSA-N 1 3 358.530 3.212 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000415913616 499927768 /nfs/dbraw/zinc/92/77/68/499927768.db2.gz PYVKIOFXLMRUCM-LJQANCHMSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000415922340 499928921 /nfs/dbraw/zinc/92/89/21/499928921.db2.gz SHPSVKBQFFUTDF-UWJYYQICSA-N 1 3 366.509 3.438 20 0 FGADHO CC1CCN(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415960892 499934132 /nfs/dbraw/zinc/93/41/32/499934132.db2.gz CMKFRQRBXGEQDL-UHFFFAOYSA-N 1 3 358.408 3.018 20 0 FGADHO CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415964038 499934327 /nfs/dbraw/zinc/93/43/27/499934327.db2.gz VSUULWZWOFCIBN-FQEVSTJZSA-N 1 3 352.482 3.274 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000415984168 499937500 /nfs/dbraw/zinc/93/75/00/499937500.db2.gz OYCCYUJDRGJDKT-OXJNMPFZSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415991508 499938244 /nfs/dbraw/zinc/93/82/44/499938244.db2.gz PNVMBLWQOBSKAQ-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092369 500002287 /nfs/dbraw/zinc/00/22/87/500002287.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092369 500002291 /nfs/dbraw/zinc/00/22/91/500002291.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 1 3 372.557 3.213 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429133013 500009211 /nfs/dbraw/zinc/00/92/11/500009211.db2.gz NSDOYHZBTOQBRQ-UHFFFAOYSA-N 1 3 369.553 3.436 20 0 FGADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000429145587 500012761 /nfs/dbraw/zinc/01/27/61/500012761.db2.gz YPVGKKXNSCCEIQ-RBUKOAKNSA-N 1 3 364.917 3.404 20 0 FGADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000429145587 500012766 /nfs/dbraw/zinc/01/27/66/500012766.db2.gz YPVGKKXNSCCEIQ-RBUKOAKNSA-N 1 3 364.917 3.404 20 0 FGADHO C[C@H](OC[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573317468 506170828 /nfs/dbraw/zinc/17/08/28/506170828.db2.gz JHOSTRWFULOAOE-MPGHIAIKSA-N 1 3 356.938 3.344 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000421368809 500028515 /nfs/dbraw/zinc/02/85/15/500028515.db2.gz GMQKACCNTWGYKW-UHFFFAOYSA-N 1 3 373.570 3.130 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000417351943 500047089 /nfs/dbraw/zinc/04/70/89/500047089.db2.gz DWFWCMHXIFVPHN-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429431147 500077555 /nfs/dbraw/zinc/07/75/55/500077555.db2.gz SQAKOGLTTFMPQY-HNNXBMFYSA-N 1 3 369.347 3.064 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000416845409 500136991 /nfs/dbraw/zinc/13/69/91/500136991.db2.gz RRZCPDNDIFNFKP-LEWJYISDSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417698308 500151921 /nfs/dbraw/zinc/15/19/21/500151921.db2.gz XNDKZWHMRIIJKD-UWJYYQICSA-N 1 3 366.509 3.211 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000414101267 500153739 /nfs/dbraw/zinc/15/37/39/500153739.db2.gz BQSWKWACLHKKOX-VAMGGRTRSA-N 1 3 360.542 3.325 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824630 500160519 /nfs/dbraw/zinc/16/05/19/500160519.db2.gz JOYMULRYNQAXQV-IIBYNOLFSA-N 1 3 363.521 3.149 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[NH+](CC)CC ZINC000573363995 506179603 /nfs/dbraw/zinc/17/96/03/506179603.db2.gz KIVSQPLILLWELL-HXUWFJFHSA-N 1 3 360.546 3.196 20 0 FGADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416952540 500164744 /nfs/dbraw/zinc/16/47/44/500164744.db2.gz GWCJRFHZVPAURB-QGZVFWFLSA-N 1 3 368.525 3.070 20 0 FGADHO COc1cccc2c1CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C2 ZINC000426052397 500230645 /nfs/dbraw/zinc/23/06/45/500230645.db2.gz YCACMRWQLQRABU-FQEVSTJZSA-N 1 3 368.521 3.325 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174845 500242609 /nfs/dbraw/zinc/24/26/09/500242609.db2.gz FGWCOXRPNCGJPP-QGZVFWFLSA-N 1 3 366.937 3.164 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174860 500242772 /nfs/dbraw/zinc/24/27/72/500242772.db2.gz FHIUSKUVSNDGET-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(CC)CC)cc1 ZINC000418215769 500250656 /nfs/dbraw/zinc/25/06/56/500250656.db2.gz NIEOAVBJDVAMAI-UNMCSNQZSA-N 1 3 372.557 3.027 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418233569 500253626 /nfs/dbraw/zinc/25/36/26/500253626.db2.gz GUULIVDKKQWAFW-HSALFYBXSA-N 1 3 364.578 3.061 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288634 500257086 /nfs/dbraw/zinc/25/70/86/500257086.db2.gz KIOLDJJFSHMMLN-GGPKGHCWSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288634 500257088 /nfs/dbraw/zinc/25/70/88/500257088.db2.gz KIOLDJJFSHMMLN-GGPKGHCWSA-N 1 3 363.521 3.131 20 0 FGADHO [NH3+]CCCOC1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000430595760 500260211 /nfs/dbraw/zinc/26/02/11/500260211.db2.gz YNTXXVHESPNUFU-UHFFFAOYSA-N 1 3 360.420 3.304 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325646 500262524 /nfs/dbraw/zinc/26/25/24/500262524.db2.gz JKKXGOQLYHJPQB-VDGAXYAQSA-N 1 3 360.546 3.182 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325646 500262526 /nfs/dbraw/zinc/26/25/26/500262526.db2.gz JKKXGOQLYHJPQB-VDGAXYAQSA-N 1 3 360.546 3.182 20 0 FGADHO CCCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418386219 500270919 /nfs/dbraw/zinc/27/09/19/500270919.db2.gz MQEIYHBKZBZKSP-XVAXZDLZSA-N 1 3 372.557 3.343 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418435730 500276505 /nfs/dbraw/zinc/27/65/05/500276505.db2.gz IBGJRGMQWHFIPJ-IEBWSBKVSA-N 1 3 360.546 3.198 20 0 FGADHO CN(CCCN(C)C(=O)NCC[NH2+]C1CCCCCC1)Cc1ccco1 ZINC000418438976 500276719 /nfs/dbraw/zinc/27/67/19/500276719.db2.gz FQOVTGWKWLLBMO-UHFFFAOYSA-N 1 3 364.534 3.055 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723385 500290230 /nfs/dbraw/zinc/29/02/30/500290230.db2.gz REUYCOVVUCVAFL-ZHRRBRCNSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723385 500290231 /nfs/dbraw/zinc/29/02/31/500290231.db2.gz REUYCOVVUCVAFL-ZHRRBRCNSA-N 1 3 373.491 3.477 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418550315 500290447 /nfs/dbraw/zinc/29/04/47/500290447.db2.gz HBVZAJNGWZTPLJ-UHFFFAOYSA-N 1 3 372.557 3.333 20 0 FGADHO C[N@H+](Cc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727683 500290641 /nfs/dbraw/zinc/29/06/41/500290641.db2.gz DBUWVZOKMZWEHW-PKTZIBPZSA-N 1 3 371.569 3.308 20 0 FGADHO C[N@@H+](Cc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727683 500290644 /nfs/dbraw/zinc/29/06/44/500290644.db2.gz DBUWVZOKMZWEHW-PKTZIBPZSA-N 1 3 371.569 3.308 20 0 FGADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736294 500292689 /nfs/dbraw/zinc/29/26/89/500292689.db2.gz VUVLQNIODFKCJZ-XQAUZQBESA-N 1 3 366.465 3.084 20 0 FGADHO CC1CCN([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744822 500293395 /nfs/dbraw/zinc/29/33/95/500293395.db2.gz WROYDLMYEXGDBF-MYDTUXCISA-N 1 3 371.569 3.206 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758143 500294355 /nfs/dbraw/zinc/29/43/55/500294355.db2.gz NOLMECKWILWVEQ-KJJMTIBFSA-N 1 3 357.542 3.342 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)c1 ZINC000422756490 500294451 /nfs/dbraw/zinc/29/44/51/500294451.db2.gz IXLIZLGWRHRFJZ-ZHRRBRCNSA-N 1 3 368.525 3.345 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788825 500297242 /nfs/dbraw/zinc/29/72/42/500297242.db2.gz NMQUQHSIDYZOJW-LIRRHRJNSA-N 1 3 364.486 3.036 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810562 500301215 /nfs/dbraw/zinc/30/12/15/500301215.db2.gz NQJMWHOZQQUKID-NQDIBGKZSA-N 1 3 371.569 3.306 20 0 FGADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821635 500302853 /nfs/dbraw/zinc/30/28/53/500302853.db2.gz XQGWAJAQFRMHSG-BQJUDKOJSA-N 1 3 351.579 3.024 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(C)cc2OCC2CC2)CC[NH2+]CC1 ZINC000422867500 500307169 /nfs/dbraw/zinc/30/71/69/500307169.db2.gz SNRFDEAHOMOGHB-QGZVFWFLSA-N 1 3 374.525 3.195 20 0 FGADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430925806 500307929 /nfs/dbraw/zinc/30/79/29/500307929.db2.gz DWWYIRMUNVTFSH-LAUBAEHRSA-N 1 3 373.541 3.198 20 0 FGADHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1Br ZINC000422876277 500308886 /nfs/dbraw/zinc/30/88/86/500308886.db2.gz FKXHHKNFLYBDFI-LLVKDONJSA-N 1 3 364.287 3.471 20 0 FGADHO CC[C@@H]([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418706107 500310018 /nfs/dbraw/zinc/31/00/18/500310018.db2.gz FCKCFTVVBBIQNA-WOJBJXKFSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961161 500313490 /nfs/dbraw/zinc/31/34/90/500313490.db2.gz MTCUBIRLQAPCOE-JXFKEZNVSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901121 500313648 /nfs/dbraw/zinc/31/36/48/500313648.db2.gz BQRFPIKUVIHDBO-AAIMPIBUSA-N 1 3 365.521 3.352 20 0 FGADHO C[C@@H](NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903517 500313847 /nfs/dbraw/zinc/31/38/47/500313847.db2.gz WHPITGQNKUDPSX-IIDMSEBBSA-N 1 3 366.347 3.396 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)C2)c1 ZINC000422906240 500314522 /nfs/dbraw/zinc/31/45/22/500314522.db2.gz UTTXETXBJVOVIL-KDXIVRHGSA-N 1 3 357.542 3.422 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OC2CCC2)CC[NH2+]CC1 ZINC000422913193 500315357 /nfs/dbraw/zinc/31/53/57/500315357.db2.gz PHJUMUCQNFFSNQ-INIZCTEOSA-N 1 3 360.498 3.029 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916282 500315916 /nfs/dbraw/zinc/31/59/16/500315916.db2.gz DFJRVIYQJGYABN-VXKWHMMOSA-N 1 3 350.510 3.381 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918223 500316494 /nfs/dbraw/zinc/31/64/94/500316494.db2.gz HNYNPDVCYPHFPS-CXAGYDPISA-N 1 3 354.441 3.327 20 0 FGADHO COc1cccc(OCCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923366 500317565 /nfs/dbraw/zinc/31/75/65/500317565.db2.gz RUKIQQIFMQVXSU-UNMCSNQZSA-N 1 3 368.477 3.310 20 0 FGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCc1nc2c(s1)CCCC2 ZINC000422955339 500323394 /nfs/dbraw/zinc/32/33/94/500323394.db2.gz LWMZUSSEFDODBT-DYESRHJHSA-N 1 3 369.534 3.410 20 0 FGADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422962035 500324461 /nfs/dbraw/zinc/32/44/61/500324461.db2.gz BSQHRDVANNHSBJ-NJNPRVFISA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422962035 500324463 /nfs/dbraw/zinc/32/44/63/500324463.db2.gz BSQHRDVANNHSBJ-NJNPRVFISA-N 1 3 352.526 3.155 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)N1CCc2ccccc21 ZINC000422961335 500324535 /nfs/dbraw/zinc/32/45/35/500324535.db2.gz YWYPJXMWCADHDW-VAMGGRTRSA-N 1 3 355.526 3.256 20 0 FGADHO C[C@H]1C[NH+](CCC2CCN(CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821467 500325084 /nfs/dbraw/zinc/32/50/84/500325084.db2.gz SXSAVFMZVLYXMT-ROUUACIJSA-N 1 3 364.505 3.416 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988336 500327568 /nfs/dbraw/zinc/32/75/68/500327568.db2.gz ISSCKTPWAROFEB-RGIVZKHGSA-N 1 3 370.459 3.367 20 0 FGADHO CCOC(=O)C1([C@H](C)NC2(c3ccc(F)cc3F)CCC2)CC[NH2+]CC1 ZINC000423029126 500332901 /nfs/dbraw/zinc/33/29/01/500332901.db2.gz RRIGLHDUIKOGTM-AWEZNQCLSA-N 1 3 366.452 3.255 20 0 FGADHO CC1(C)[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423053646 500336339 /nfs/dbraw/zinc/33/63/39/500336339.db2.gz SDTAEUNGBGMTJJ-PFAUGDHASA-N 1 3 358.526 3.117 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423069150 500338251 /nfs/dbraw/zinc/33/82/51/500338251.db2.gz AJFHKAQSVRDIPW-VLCRHTCISA-N 1 3 369.578 3.152 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423069150 500338252 /nfs/dbraw/zinc/33/82/52/500338252.db2.gz AJFHKAQSVRDIPW-VLCRHTCISA-N 1 3 369.578 3.152 20 0 FGADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423077883 500339583 /nfs/dbraw/zinc/33/95/83/500339583.db2.gz NDCDVHCUXWCOIT-BZUAXINKSA-N 1 3 357.420 3.380 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980429 500340856 /nfs/dbraw/zinc/34/08/56/500340856.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980429 500340857 /nfs/dbraw/zinc/34/08/57/500340857.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 1 3 355.526 3.030 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000423106972 500343099 /nfs/dbraw/zinc/34/30/99/500343099.db2.gz KDEXJLWEAHGFOS-WMLDXEAASA-N 1 3 366.347 3.232 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000423106972 500343101 /nfs/dbraw/zinc/34/31/01/500343101.db2.gz KDEXJLWEAHGFOS-WMLDXEAASA-N 1 3 366.347 3.232 20 0 FGADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423117482 500344747 /nfs/dbraw/zinc/34/47/47/500344747.db2.gz VRMNIASIVOFPOS-FNAHDJPLSA-N 1 3 369.553 3.121 20 0 FGADHO FC(F)(F)[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140732 500347777 /nfs/dbraw/zinc/34/77/77/500347777.db2.gz ZJWLQIJQDYDNAJ-BSDSXHPESA-N 1 3 356.432 3.469 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162969 500349811 /nfs/dbraw/zinc/34/98/11/500349811.db2.gz LXYNMOWWSOGCTE-UNWVZKJWSA-N 1 3 366.505 3.052 20 0 FGADHO Fc1ccc(N2CC[C@H](N[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196381 500354240 /nfs/dbraw/zinc/35/42/40/500354240.db2.gz ZTPJUUXFMBUVSV-WEYGHZABSA-N 1 3 367.468 3.250 20 0 FGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264078 500360168 /nfs/dbraw/zinc/36/01/68/500360168.db2.gz XZXZRIHROPGVBP-OLZOCXBDSA-N 1 3 358.267 3.332 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292439 500361645 /nfs/dbraw/zinc/36/16/45/500361645.db2.gz NAFXVLHYPICYBZ-IERDGZPVSA-N 1 3 365.481 3.228 20 0 FGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293928 500362646 /nfs/dbraw/zinc/36/26/46/500362646.db2.gz SNQPOLPLRIKIRG-HOTGVXAUSA-N 1 3 373.522 3.097 20 0 FGADHO Cc1cc([C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375162 500368395 /nfs/dbraw/zinc/36/83/95/500368395.db2.gz CWNMARMIZRTZAK-SJORKVTESA-N 1 3 359.411 3.011 20 0 FGADHO CCSc1ccccc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423459873 500375827 /nfs/dbraw/zinc/37/58/27/500375827.db2.gz RNCWINBRXCKPOS-ZTQAJYAQSA-N 1 3 361.555 3.096 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444878 500394138 /nfs/dbraw/zinc/39/41/38/500394138.db2.gz VJYFHQXQAOJNNV-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000579520700 506193510 /nfs/dbraw/zinc/19/35/10/506193510.db2.gz KRPWEROBGIIOOW-DNVCBOLYSA-N 1 3 358.457 3.420 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303061 500437909 /nfs/dbraw/zinc/43/79/09/500437909.db2.gz NAJMPDCQGOHLHQ-KNQAVFIVSA-N 1 3 354.494 3.109 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883440 500442263 /nfs/dbraw/zinc/44/22/63/500442263.db2.gz CHXGZUZOQAFSGN-SJLPKXTDSA-N 1 3 351.560 3.420 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374648 500450093 /nfs/dbraw/zinc/45/00/93/500450093.db2.gz HSVQUFXHRPFYDE-QZTJIDSGSA-N 1 3 367.331 3.476 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381534 500451985 /nfs/dbraw/zinc/45/19/85/500451985.db2.gz XPEUGZVLWDMZQK-IBGZPJMESA-N 1 3 353.510 3.338 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414060 500457559 /nfs/dbraw/zinc/45/75/59/500457559.db2.gz UFYTZMNLDXOYLD-UIAACRFSSA-N 1 3 362.420 3.136 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414060 500457561 /nfs/dbraw/zinc/45/75/61/500457561.db2.gz UFYTZMNLDXOYLD-UIAACRFSSA-N 1 3 362.420 3.136 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420776446 500497845 /nfs/dbraw/zinc/49/78/45/500497845.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420776446 500497849 /nfs/dbraw/zinc/49/78/49/500497849.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000424445746 500506680 /nfs/dbraw/zinc/50/66/80/500506680.db2.gz PBUGXZFGEFTGJM-HXUWFJFHSA-N 1 3 352.482 3.412 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000424447496 500507099 /nfs/dbraw/zinc/50/70/99/500507099.db2.gz VLFLTJUCJDATTP-UHFFFAOYSA-N 1 3 352.482 3.194 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000428853833 500566447 /nfs/dbraw/zinc/56/64/47/500566447.db2.gz BQYZXWPOCDKZHF-UHFFFAOYSA-N 1 3 361.477 3.415 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788911 500626445 /nfs/dbraw/zinc/62/64/45/500626445.db2.gz GDNIQXXRWKVYBZ-DOTOQJQBSA-N 1 3 356.432 3.388 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866856 500636447 /nfs/dbraw/zinc/63/64/47/500636447.db2.gz JJJSQIHCELIFHE-KRWDZBQOSA-N 1 3 351.922 3.169 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000443005686 500661632 /nfs/dbraw/zinc/66/16/32/500661632.db2.gz XAOKQELCHHBXMB-ROUUACIJSA-N 1 3 356.432 3.481 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661920 /nfs/dbraw/zinc/66/19/20/500661920.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661921 /nfs/dbraw/zinc/66/19/21/500661921.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 1 3 358.448 3.413 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987568 500701880 /nfs/dbraw/zinc/70/18/80/500701880.db2.gz LBVJZPDEVWCPDJ-HXUWFJFHSA-N 1 3 372.557 3.202 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000434057809 500788941 /nfs/dbraw/zinc/78/89/41/500788941.db2.gz GACGVDDYYICKDJ-HXUWFJFHSA-N 1 3 373.541 3.154 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCN1CCCN(C)CC1 ZINC000438832465 500824782 /nfs/dbraw/zinc/82/47/82/500824782.db2.gz UVYLBTCUVUCUJN-NRFANRHFSA-N 1 3 354.542 3.471 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146783 500863828 /nfs/dbraw/zinc/86/38/28/500863828.db2.gz OEQGYGBDPXGKAK-UZLBHIALSA-N 1 3 359.562 3.320 20 0 FGADHO Cc1cc(N2CCC(NC3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146783 500863829 /nfs/dbraw/zinc/86/38/29/500863829.db2.gz OEQGYGBDPXGKAK-UZLBHIALSA-N 1 3 359.562 3.320 20 0 FGADHO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058825 500913881 /nfs/dbraw/zinc/91/38/81/500913881.db2.gz MHFGMWSDTDRNMP-OFNKIYASSA-N 1 3 373.585 3.028 20 0 FGADHO CC(C)CN1CCO[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058825 500913883 /nfs/dbraw/zinc/91/38/83/500913883.db2.gz MHFGMWSDTDRNMP-OFNKIYASSA-N 1 3 373.585 3.028 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449080271 500919788 /nfs/dbraw/zinc/91/97/88/500919788.db2.gz UTIXPJYAULRAAA-UHFFFAOYSA-N 1 3 355.526 3.356 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3ccoc32)c1 ZINC000449116691 500928881 /nfs/dbraw/zinc/92/88/81/500928881.db2.gz MFRVMDLQIQQIHF-UHFFFAOYSA-N 1 3 351.450 3.014 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@]2(N(C)C)CCSC2)CC1 ZINC000449174968 500941414 /nfs/dbraw/zinc/94/14/14/500941414.db2.gz JGNRIQPBJBZKLB-WIYYLYMNSA-N 1 3 361.599 3.109 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439844138 500945095 /nfs/dbraw/zinc/94/50/95/500945095.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439844138 500945096 /nfs/dbraw/zinc/94/50/96/500945096.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 1 3 369.553 3.074 20 0 FGADHO C[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233774 500953925 /nfs/dbraw/zinc/95/39/25/500953925.db2.gz MZIIQRDZJRQHDX-VFNWGFHPSA-N 1 3 360.448 3.425 20 0 FGADHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1OCc1ccncc1 ZINC000435372603 500961148 /nfs/dbraw/zinc/96/11/48/500961148.db2.gz KHZFHWXASHMLHP-MRXNPFEDSA-N 1 3 355.482 3.228 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382644 500964487 /nfs/dbraw/zinc/96/44/87/500964487.db2.gz DXYYXDPQCRAEGL-YUXAGFNASA-N 1 3 373.504 3.494 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345438 500982864 /nfs/dbraw/zinc/98/28/64/500982864.db2.gz VNGQRBSRRGYBNJ-GCJKJVERSA-N 1 3 365.521 3.288 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000440208943 500987319 /nfs/dbraw/zinc/98/73/19/500987319.db2.gz BCLWJWWDBDCOBG-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371184 500989153 /nfs/dbraw/zinc/98/91/53/500989153.db2.gz RFHJONUCHPSMJQ-NNZWXOEDSA-N 1 3 370.603 3.223 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000446002794 501061333 /nfs/dbraw/zinc/06/13/33/501061333.db2.gz PENBSNFHPVMXID-BHIFYINESA-N 1 3 365.521 3.331 20 0 FGADHO CN(Cc1cc(C[N@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389906 501108956 /nfs/dbraw/zinc/10/89/56/501108956.db2.gz KVLXDTYHCKINFC-QZTJIDSGSA-N 1 3 372.431 3.147 20 0 FGADHO CN(Cc1cc(C[N@@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389906 501108960 /nfs/dbraw/zinc/10/89/60/501108960.db2.gz KVLXDTYHCKINFC-QZTJIDSGSA-N 1 3 372.431 3.147 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCN1C ZINC000607722326 506239287 /nfs/dbraw/zinc/23/92/87/506239287.db2.gz YMGCJFKVGVDION-XLIONFOSSA-N 1 3 358.530 3.319 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451179113 501250302 /nfs/dbraw/zinc/25/03/02/501250302.db2.gz CKWOTIGVTWGVID-LQWHRVPQSA-N 1 3 357.542 3.242 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000451323650 501264866 /nfs/dbraw/zinc/26/48/66/501264866.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000451323650 501264868 /nfs/dbraw/zinc/26/48/68/501264868.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 1 3 369.553 3.422 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[NH+]1CCCC1 ZINC000457621546 501270239 /nfs/dbraw/zinc/27/02/39/501270239.db2.gz QCQUSXXRMHUBTG-FPOVZHCZSA-N 1 3 364.578 3.014 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675178 506251034 /nfs/dbraw/zinc/25/10/34/506251034.db2.gz QUXOAKUJYJFQTL-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458376384 501430426 /nfs/dbraw/zinc/43/04/26/501430426.db2.gz QNONWLPITTUKSA-ZWKOTPCHSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495533 501458602 /nfs/dbraw/zinc/45/86/02/501458602.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495533 501458604 /nfs/dbraw/zinc/45/86/04/501458604.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512548 501463303 /nfs/dbraw/zinc/46/33/03/501463303.db2.gz YIHPTPBSZPJJDD-NRSPTQNISA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512548 501463304 /nfs/dbraw/zinc/46/33/04/501463304.db2.gz YIHPTPBSZPJJDD-NRSPTQNISA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000458575548 501478270 /nfs/dbraw/zinc/47/82/70/501478270.db2.gz XVJXSSODRJRUEB-MJGOQNOKSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000456333549 501501100 /nfs/dbraw/zinc/50/11/00/501501100.db2.gz LQUXPVTUQPESDY-IBGZPJMESA-N 1 3 365.521 3.342 20 0 FGADHO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000458759379 501524861 /nfs/dbraw/zinc/52/48/61/501524861.db2.gz GGPGKKLGOFKNSQ-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458815209 501537164 /nfs/dbraw/zinc/53/71/64/501537164.db2.gz QSMPFAXDTTVLJT-MAUKXSAKSA-N 1 3 366.575 3.039 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458815209 501537168 /nfs/dbraw/zinc/53/71/68/501537168.db2.gz QSMPFAXDTTVLJT-MAUKXSAKSA-N 1 3 366.575 3.039 20 0 FGADHO CC(C)OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017198 501602280 /nfs/dbraw/zinc/60/22/80/501602280.db2.gz MSKUJJQPIKZQAF-VXKWHMMOSA-N 1 3 374.569 3.395 20 0 FGADHO CC(C)OC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017198 501602282 /nfs/dbraw/zinc/60/22/82/501602282.db2.gz MSKUJJQPIKZQAF-VXKWHMMOSA-N 1 3 374.569 3.395 20 0 FGADHO CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459158321 501605408 /nfs/dbraw/zinc/60/54/08/501605408.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459158321 501605411 /nfs/dbraw/zinc/60/54/11/501605411.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)[C@@H]1SC ZINC000459393533 501645538 /nfs/dbraw/zinc/64/55/38/501645538.db2.gz VWKRZFLBUQUJMX-KSZLIROESA-N 1 3 354.585 3.459 20 0 FGADHO Clc1ccc(CC[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000459393426 501645670 /nfs/dbraw/zinc/64/56/70/501645670.db2.gz VNJLNZYTHGZQLM-UHFFFAOYSA-N 1 3 358.917 3.079 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1SC ZINC000459414127 501649371 /nfs/dbraw/zinc/64/93/71/501649371.db2.gz PSIUDLCGARVWTI-VAMGGRTRSA-N 1 3 364.555 3.160 20 0 FGADHO O=C(NC1CCN(CCc2ccccc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457452780 501701282 /nfs/dbraw/zinc/70/12/82/501701282.db2.gz RUZQSSNZUZKIMD-UHFFFAOYSA-N 1 3 369.553 3.074 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000460110324 501727139 /nfs/dbraw/zinc/72/71/39/501727139.db2.gz HKDHPLGVGPNVPE-UHFFFAOYSA-N 1 3 364.578 3.158 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000467358784 501776720 /nfs/dbraw/zinc/77/67/20/501776720.db2.gz MCMJWSCTAMKHBC-AQNXPRMDSA-N 1 3 374.573 3.098 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000467368708 501778705 /nfs/dbraw/zinc/77/87/05/501778705.db2.gz IKENFDVQTIEHDN-YJBOKZPZSA-N 1 3 358.448 3.319 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H]1C ZINC000463736425 501806625 /nfs/dbraw/zinc/80/66/25/501806625.db2.gz OQUBGGOTEIZTNO-LQWHRVPQSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000460383395 501810506 /nfs/dbraw/zinc/81/05/06/501810506.db2.gz IAKYWFNHLFLCCQ-SFHLNBCPSA-N 1 3 368.562 3.131 20 0 FGADHO C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855717 501811031 /nfs/dbraw/zinc/81/10/31/501811031.db2.gz ILOXKDNQNWYRDC-IEBWSBKVSA-N 1 3 367.493 3.083 20 0 FGADHO CC[C@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697350 501847263 /nfs/dbraw/zinc/84/72/63/501847263.db2.gz XVXWYYVQZBMPTN-FCHUYYIVSA-N 1 3 355.526 3.033 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]CCCc2ccc(C)nc2)CC1 ZINC000474482990 501850925 /nfs/dbraw/zinc/85/09/25/501850925.db2.gz RCFJIVQIWYYFIR-UHFFFAOYSA-N 1 3 366.553 3.250 20 0 FGADHO CC(C)n1nccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000474606484 501891205 /nfs/dbraw/zinc/89/12/05/501891205.db2.gz WEQBIAYUAPRISC-UHFFFAOYSA-N 1 3 369.557 3.152 20 0 FGADHO COC(=O)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897524 /nfs/dbraw/zinc/89/75/24/501897524.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 1 3 350.462 3.037 20 0 FGADHO COC(=O)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897527 /nfs/dbraw/zinc/89/75/27/501897527.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 1 3 350.462 3.037 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973650 501916707 /nfs/dbraw/zinc/91/67/07/501916707.db2.gz NUVGLEQACXCKCZ-SVFBPWRDSA-N 1 3 357.542 3.449 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023066 501932482 /nfs/dbraw/zinc/93/24/82/501932482.db2.gz VDYGVJQGXCSUKE-SFHLNBCPSA-N 1 3 374.573 3.488 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2cccnc2)C2CCC2)C1 ZINC000481995838 501939758 /nfs/dbraw/zinc/93/97/58/501939758.db2.gz XOOBCOOFZMMNDA-VXKWHMMOSA-N 1 3 351.494 3.279 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2cccnc2)C2CCC2)C1 ZINC000481995838 501939765 /nfs/dbraw/zinc/93/97/65/501939765.db2.gz XOOBCOOFZMMNDA-VXKWHMMOSA-N 1 3 351.494 3.279 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000482115207 501978658 /nfs/dbraw/zinc/97/86/58/501978658.db2.gz QTTFRBWDSXGHJG-IBGZPJMESA-N 1 3 364.537 3.433 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000468442207 502059969 /nfs/dbraw/zinc/05/99/69/502059969.db2.gz JPFIYXFOXHTXSS-HXUWFJFHSA-N 1 3 360.546 3.197 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000475112908 502063609 /nfs/dbraw/zinc/06/36/09/502063609.db2.gz UMSUEHHVDHZTML-MSOLQXFVSA-N 1 3 364.578 3.346 20 0 FGADHO Cc1ccccc1[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000475136462 502075386 /nfs/dbraw/zinc/07/53/86/502075386.db2.gz HSMCZQLKROVPTI-JTHBVZDNSA-N 1 3 365.521 3.455 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140333 502077118 /nfs/dbraw/zinc/07/71/18/502077118.db2.gz RYWNOHAXCRJXKQ-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO COC(=O)CC1CCC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000599048798 506292287 /nfs/dbraw/zinc/29/22/87/506292287.db2.gz OVSNFTSVDQRGTF-UHFFFAOYSA-N 1 3 374.525 3.371 20 0 FGADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000482548078 502107505 /nfs/dbraw/zinc/10/75/05/502107505.db2.gz MAGKVGUVXHFZCR-LJQANCHMSA-N 1 3 374.573 3.144 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875208 502161926 /nfs/dbraw/zinc/16/19/26/502161926.db2.gz WJXUTRQDNSTOMM-CTNGQTDRSA-N 1 3 357.542 3.107 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875208 502161929 /nfs/dbraw/zinc/16/19/29/502161929.db2.gz WJXUTRQDNSTOMM-CTNGQTDRSA-N 1 3 357.542 3.107 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000471875208 502161933 /nfs/dbraw/zinc/16/19/33/502161933.db2.gz WJXUTRQDNSTOMM-CTNGQTDRSA-N 1 3 357.542 3.107 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000461721615 502179036 /nfs/dbraw/zinc/17/90/36/502179036.db2.gz GGMGSKJWOARHID-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718624 502242287 /nfs/dbraw/zinc/24/22/87/502242287.db2.gz DPGMBVXIDBMNBM-HXUWFJFHSA-N 1 3 353.441 3.163 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718624 502242290 /nfs/dbraw/zinc/24/22/90/502242290.db2.gz DPGMBVXIDBMNBM-HXUWFJFHSA-N 1 3 353.441 3.163 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000465420086 502256488 /nfs/dbraw/zinc/25/64/88/502256488.db2.gz HNYWIVSNNHFFOM-GHTZIAJQSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000465420086 502256492 /nfs/dbraw/zinc/25/64/92/502256492.db2.gz HNYWIVSNNHFFOM-GHTZIAJQSA-N 1 3 374.573 3.368 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462007757 502272220 /nfs/dbraw/zinc/27/22/20/502272220.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462007757 502272223 /nfs/dbraw/zinc/27/22/23/502272223.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483128616 502283562 /nfs/dbraw/zinc/28/35/62/502283562.db2.gz IIVVEUCMZPEYSG-UHFFFAOYSA-N 1 3 357.542 3.198 20 0 FGADHO CCN(CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284728 /nfs/dbraw/zinc/28/47/28/502284728.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CCN(CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284731 /nfs/dbraw/zinc/28/47/31/502284731.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465530087 502291548 /nfs/dbraw/zinc/29/15/48/502291548.db2.gz YREIYOVEWTWINP-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306296 /nfs/dbraw/zinc/30/62/96/502306296.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306302 /nfs/dbraw/zinc/30/63/02/502306302.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465886188 502415490 /nfs/dbraw/zinc/41/54/90/502415490.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465886188 502415496 /nfs/dbraw/zinc/41/54/96/502415496.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000483530319 502422927 /nfs/dbraw/zinc/42/29/27/502422927.db2.gz IGXWEHNEDNHFQI-SFHVURJKSA-N 1 3 357.542 3.318 20 0 FGADHO CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465944273 502436651 /nfs/dbraw/zinc/43/66/51/502436651.db2.gz XOPWVFLAOWGBNR-SFTDATJTSA-N 1 3 374.573 3.065 20 0 FGADHO CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465944273 502436656 /nfs/dbraw/zinc/43/66/56/502436656.db2.gz XOPWVFLAOWGBNR-SFTDATJTSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019035 502456051 /nfs/dbraw/zinc/45/60/51/502456051.db2.gz GONPCYCOVHWVDU-UXHICEINSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019035 502456057 /nfs/dbraw/zinc/45/60/57/502456057.db2.gz GONPCYCOVHWVDU-UXHICEINSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466154552 502490987 /nfs/dbraw/zinc/49/09/87/502490987.db2.gz TUYKJWHISSBZFI-UAFMIMERSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466154552 502490991 /nfs/dbraw/zinc/49/09/91/502490991.db2.gz TUYKJWHISSBZFI-UAFMIMERSA-N 1 3 364.578 3.013 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280329 502523812 /nfs/dbraw/zinc/52/38/12/502523812.db2.gz UBHVIOWLIBQQKB-YTQUADARSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280326 502524238 /nfs/dbraw/zinc/52/42/38/502524238.db2.gz UBHVIOWLIBQQKB-NZSAHSFTSA-N 1 3 353.576 3.077 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540720 /nfs/dbraw/zinc/54/07/20/502540720.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540727 /nfs/dbraw/zinc/54/07/27/502540727.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342458 502541697 /nfs/dbraw/zinc/54/16/97/502541697.db2.gz DNPBELQURVFIOX-PCCBWWKXSA-N 1 3 363.590 3.122 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547115 /nfs/dbraw/zinc/54/71/15/502547115.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547120 /nfs/dbraw/zinc/54/71/20/502547120.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 1 3 364.578 3.014 20 0 FGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553630 502600862 /nfs/dbraw/zinc/60/08/62/502600862.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553630 502600869 /nfs/dbraw/zinc/60/08/69/502600869.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 1 3 369.553 3.422 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473528765 502624666 /nfs/dbraw/zinc/62/46/66/502624666.db2.gz WECGLCKJOBSMJP-GRTSSRMGSA-N 1 3 363.468 3.075 20 0 FGADHO O=C(C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000484609925 502681859 /nfs/dbraw/zinc/68/18/59/502681859.db2.gz BCTWYQJVMSPZGC-NHCUHLMSSA-N 1 3 355.526 3.045 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896505 502700392 /nfs/dbraw/zinc/70/03/92/502700392.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896505 502700394 /nfs/dbraw/zinc/70/03/94/502700394.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896505 502700397 /nfs/dbraw/zinc/70/03/97/502700397.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 1 3 365.537 3.155 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418883 502710013 /nfs/dbraw/zinc/71/00/13/502710013.db2.gz TUVJPVPKVPBHRZ-LEWJYISDSA-N 1 3 361.599 3.444 20 0 FGADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258912 502718734 /nfs/dbraw/zinc/71/87/34/502718734.db2.gz UHHDCDRTKQQGIO-INMHGKMJSA-N 1 3 374.447 3.056 20 0 FGADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258912 502718740 /nfs/dbraw/zinc/71/87/40/502718740.db2.gz UHHDCDRTKQQGIO-INMHGKMJSA-N 1 3 374.447 3.056 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2CCN(Cc3ccccn3)CC2)C1 ZINC000481039589 502737811 /nfs/dbraw/zinc/73/78/11/502737811.db2.gz RRWNIUDXHLALSB-OALUTQOASA-N 1 3 358.574 3.392 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463270108 502742664 /nfs/dbraw/zinc/74/26/64/502742664.db2.gz CANNWFPIQWLHNY-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470369917 502753032 /nfs/dbraw/zinc/75/30/32/502753032.db2.gz RTRMAGNJPGPUNY-QGZVFWFLSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470369917 502753036 /nfs/dbraw/zinc/75/30/36/502753036.db2.gz RTRMAGNJPGPUNY-QGZVFWFLSA-N 1 3 363.505 3.452 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC000509277020 502865337 /nfs/dbraw/zinc/86/53/37/502865337.db2.gz QINDPYFKOPNURM-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO CC(C)(C)CC[NH+]1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509309835 502872737 /nfs/dbraw/zinc/87/27/37/502872737.db2.gz IFPXOMNYXDWESQ-UHFFFAOYSA-N 1 3 372.601 3.253 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076224 502874687 /nfs/dbraw/zinc/87/46/87/502874687.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076224 502874691 /nfs/dbraw/zinc/87/46/91/502874691.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 1 3 372.557 3.072 20 0 FGADHO Cn1nnc2cc(CN[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441781 502904384 /nfs/dbraw/zinc/90/43/84/502904384.db2.gz ZKLKXOFRDFVQHL-OAQYLSRUSA-N 1 3 363.509 3.359 20 0 FGADHO Cn1nnc2cc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441781 502904389 /nfs/dbraw/zinc/90/43/89/502904389.db2.gz ZKLKXOFRDFVQHL-OAQYLSRUSA-N 1 3 363.509 3.359 20 0 FGADHO CCc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501041594 502919769 /nfs/dbraw/zinc/91/97/69/502919769.db2.gz ZBYCJAGCNWVHIC-UHFFFAOYSA-N 1 3 366.509 3.431 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000501049072 502922514 /nfs/dbraw/zinc/92/25/14/502922514.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000501049072 502922517 /nfs/dbraw/zinc/92/25/17/502922517.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601133 502945465 /nfs/dbraw/zinc/94/54/65/502945465.db2.gz KFDJTIBMZRWAMK-XYJFISCASA-N 1 3 364.534 3.081 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165834 502951849 /nfs/dbraw/zinc/95/18/49/502951849.db2.gz WEYHTUURCLHXLW-FUHWJXTLSA-N 1 3 366.575 3.305 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)Cc1ccccc1 ZINC000501195906 502957287 /nfs/dbraw/zinc/95/72/87/502957287.db2.gz DGTIGNFPCJFHKH-CTNGQTDRSA-N 1 3 374.573 3.113 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000489603297 502996148 /nfs/dbraw/zinc/99/61/48/502996148.db2.gz HLNNDCJRJBPYSW-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513683001 503000032 /nfs/dbraw/zinc/00/00/32/503000032.db2.gz DYLNNOUGCSHLKC-FVTFTPSCSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513683001 503000036 /nfs/dbraw/zinc/00/00/36/503000036.db2.gz DYLNNOUGCSHLKC-FVTFTPSCSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513683001 503000041 /nfs/dbraw/zinc/00/00/41/503000041.db2.gz DYLNNOUGCSHLKC-FVTFTPSCSA-N 1 3 369.553 3.278 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000489684244 503010660 /nfs/dbraw/zinc/01/06/60/503010660.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 1 3 358.452 3.493 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000489684244 503010662 /nfs/dbraw/zinc/01/06/62/503010662.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 1 3 358.452 3.493 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000501489626 503019277 /nfs/dbraw/zinc/01/92/77/503019277.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000501489626 503019280 /nfs/dbraw/zinc/01/92/80/503019280.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515807 503026431 /nfs/dbraw/zinc/02/64/31/503026431.db2.gz CUEOOZWPQBYORS-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501515807 503026437 /nfs/dbraw/zinc/02/64/37/503026437.db2.gz CUEOOZWPQBYORS-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000489785839 503034315 /nfs/dbraw/zinc/03/43/15/503034315.db2.gz ADFZVMHSGYEKJS-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000489793883 503036275 /nfs/dbraw/zinc/03/62/75/503036275.db2.gz CZEUWPPADNZYOU-SFTDATJTSA-N 1 3 372.557 3.345 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835318 503050416 /nfs/dbraw/zinc/05/04/16/503050416.db2.gz GCJHNIWJWBSBBE-XYJFISCASA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835318 503050421 /nfs/dbraw/zinc/05/04/21/503050421.db2.gz GCJHNIWJWBSBBE-XYJFISCASA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835316 503050516 /nfs/dbraw/zinc/05/05/16/503050516.db2.gz GCJHNIWJWBSBBE-JZXOWHBKSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835316 503050520 /nfs/dbraw/zinc/05/05/20/503050520.db2.gz GCJHNIWJWBSBBE-JZXOWHBKSA-N 1 3 362.518 3.025 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000514032936 503073153 /nfs/dbraw/zinc/07/31/53/503073153.db2.gz NUKZPZXJMLLCGB-HXUWFJFHSA-N 1 3 360.546 3.019 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCCCC1 ZINC000501783565 503079353 /nfs/dbraw/zinc/07/93/53/503079353.db2.gz DJLGTSSALAHJIM-MOPGFXCFSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000498031117 503091147 /nfs/dbraw/zinc/09/11/47/503091147.db2.gz XYAYKWDMMCSSQQ-WMQCIHAUSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000498031117 503091150 /nfs/dbraw/zinc/09/11/50/503091150.db2.gz XYAYKWDMMCSSQQ-WMQCIHAUSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000501848571 503094212 /nfs/dbraw/zinc/09/42/12/503094212.db2.gz IUVYBGJKUSLSEE-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197521 503110279 /nfs/dbraw/zinc/11/02/79/503110279.db2.gz ORFSNDJFSIKGQF-ICSRJNTNSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000514245433 503124382 /nfs/dbraw/zinc/12/43/82/503124382.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000514245433 503124387 /nfs/dbraw/zinc/12/43/87/503124387.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000510542727 503139175 /nfs/dbraw/zinc/13/91/75/503139175.db2.gz BOQJHFOLICKPHS-XLIONFOSSA-N 1 3 358.530 3.019 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736176 503181858 /nfs/dbraw/zinc/18/18/58/503181858.db2.gz QGLCVVLUAQXJEQ-KRWDZBQOSA-N 1 3 353.501 3.293 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000506924961 503195276 /nfs/dbraw/zinc/19/52/76/503195276.db2.gz BOGBOAHISDJHKI-UHFFFAOYSA-N 1 3 370.497 3.359 20 0 FGADHO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221893 /nfs/dbraw/zinc/22/18/93/503221893.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 1 3 364.537 3.492 20 0 FGADHO CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221895 /nfs/dbraw/zinc/22/18/95/503221895.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 1 3 364.537 3.492 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706367 503254893 /nfs/dbraw/zinc/25/48/93/503254893.db2.gz FTWNWCPKWRHKHX-FGZHOGPDSA-N 1 3 359.558 3.119 20 0 FGADHO Cc1ccc(SCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000490997893 503258595 /nfs/dbraw/zinc/25/85/95/503258595.db2.gz UDVYSMXMFGBPJY-FPOVZHCZSA-N 1 3 361.599 3.353 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515088913 503268920 /nfs/dbraw/zinc/26/89/20/503268920.db2.gz CSWYZCGASXOITN-LEWJYISDSA-N 1 3 369.509 3.358 20 0 FGADHO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000507401008 503293447 /nfs/dbraw/zinc/29/34/47/503293447.db2.gz ICABTZLQQQFVLK-UHFFFAOYSA-N 1 3 373.585 3.491 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515294260 503307988 /nfs/dbraw/zinc/30/79/88/503307988.db2.gz JBOSSAIGYORCNU-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515294260 503307992 /nfs/dbraw/zinc/30/79/92/503307992.db2.gz JBOSSAIGYORCNU-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO Cc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000503020914 503327969 /nfs/dbraw/zinc/32/79/69/503327969.db2.gz UWIMQYOPBDPLEB-UHFFFAOYSA-N 1 3 355.320 3.082 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502781 503333829 /nfs/dbraw/zinc/33/38/29/503333829.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502781 503333833 /nfs/dbraw/zinc/33/38/33/503333833.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 1 3 372.557 3.069 20 0 FGADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000503303692 503386355 /nfs/dbraw/zinc/38/63/55/503386355.db2.gz FWGOQSYNGJAAOW-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832088 503408907 /nfs/dbraw/zinc/40/89/07/503408907.db2.gz JCBUVNSPDMKEIH-GPLKVYFTSA-N 1 3 366.933 3.383 20 0 FGADHO C[C@H](OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832088 503408908 /nfs/dbraw/zinc/40/89/08/503408908.db2.gz JCBUVNSPDMKEIH-GPLKVYFTSA-N 1 3 366.933 3.383 20 0 FGADHO Cc1cc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)sc1Br ZINC000512054578 503445168 /nfs/dbraw/zinc/44/51/68/503445168.db2.gz WMHSMFRNMCKFDL-AWEZNQCLSA-N 1 3 374.392 3.497 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503630451 503449061 /nfs/dbraw/zinc/44/90/61/503449061.db2.gz DYGMRYVLMUFHHL-FQEVSTJZSA-N 1 3 360.546 3.322 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)N(C)C ZINC000493866082 503450829 /nfs/dbraw/zinc/45/08/29/503450829.db2.gz ZOUJZWQVJNJMEG-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@@H+](C)C1CCCC1)N(C)C ZINC000493866082 503450831 /nfs/dbraw/zinc/45/08/31/503450831.db2.gz ZOUJZWQVJNJMEG-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N2CCN(C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741728 503468072 /nfs/dbraw/zinc/46/80/72/503468072.db2.gz XURVCIDJSWBMDK-OALUTQOASA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000500103499 503554686 /nfs/dbraw/zinc/55/46/86/503554686.db2.gz TVVAGYZLDZZTSY-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000500103499 503554689 /nfs/dbraw/zinc/55/46/89/503554689.db2.gz TVVAGYZLDZZTSY-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)N(C)C ZINC000508894000 503592155 /nfs/dbraw/zinc/59/21/55/503592155.db2.gz JWKSCJPYMGOZEB-QUCCMNQESA-N 1 3 360.546 3.114 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620647 503597293 /nfs/dbraw/zinc/59/72/93/503597293.db2.gz RVCZVTSOKRIVNK-PWRODBHTSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620647 503597299 /nfs/dbraw/zinc/59/72/99/503597299.db2.gz RVCZVTSOKRIVNK-PWRODBHTSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1 ZINC000512620647 503597302 /nfs/dbraw/zinc/59/73/02/503597302.db2.gz RVCZVTSOKRIVNK-PWRODBHTSA-N 1 3 350.510 3.218 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627102 503598150 /nfs/dbraw/zinc/59/81/50/503598150.db2.gz ZYZGYGBMCSTVBA-ACRUOGEOSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627102 503598154 /nfs/dbraw/zinc/59/81/54/503598154.db2.gz ZYZGYGBMCSTVBA-ACRUOGEOSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627102 503598159 /nfs/dbraw/zinc/59/81/59/503598159.db2.gz ZYZGYGBMCSTVBA-ACRUOGEOSA-N 1 3 350.510 3.384 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673587 503609414 /nfs/dbraw/zinc/60/94/14/503609414.db2.gz RHLUEXBYSPLZFO-OVQGTLEDSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891645 503631609 /nfs/dbraw/zinc/63/16/09/503631609.db2.gz IMZSVMGGROOMTI-QKLQHJQFSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891645 503631612 /nfs/dbraw/zinc/63/16/12/503631612.db2.gz IMZSVMGGROOMTI-QKLQHJQFSA-N 1 3 357.542 3.311 20 0 FGADHO C[NH+](C)CC1(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)CCCC1 ZINC000517130093 503651692 /nfs/dbraw/zinc/65/16/92/503651692.db2.gz NCTSECKYFAWFLS-FPOVZHCZSA-N 1 3 360.542 3.153 20 0 FGADHO CCCOc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC ZINC000536675561 503674212 /nfs/dbraw/zinc/67/42/12/503674212.db2.gz WXPJZAAQQGWOGT-UHFFFAOYSA-N 1 3 350.503 3.027 20 0 FGADHO CC(C)[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975831 503682697 /nfs/dbraw/zinc/68/26/97/503682697.db2.gz XMRHCONQBXSCBS-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000517245558 503692945 /nfs/dbraw/zinc/69/29/45/503692945.db2.gz UOIQKIOBQQWWJQ-YYWHXJBOSA-N 1 3 361.574 3.220 20 0 FGADHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090562 503728309 /nfs/dbraw/zinc/72/83/09/503728309.db2.gz HOTFEUHVHHOGRF-ZWKOTPCHSA-N 1 3 371.525 3.305 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)CC(C)C ZINC000517419802 503740705 /nfs/dbraw/zinc/74/07/05/503740705.db2.gz DOJBMESYEPZTQO-OALUTQOASA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000543394341 503751908 /nfs/dbraw/zinc/75/19/08/503751908.db2.gz IRXQUERYJMJXMB-IRXDYDNUSA-N 1 3 374.554 3.255 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543703 503766686 /nfs/dbraw/zinc/76/66/86/503766686.db2.gz ZLBUZDUJYAIFEF-FXAWDEMLSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517541679 503767312 /nfs/dbraw/zinc/76/73/12/503767312.db2.gz PKFMINWXBOPYHE-QZTJIDSGSA-N 1 3 374.573 3.304 20 0 FGADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N1CCCCC1 ZINC000517812461 503843057 /nfs/dbraw/zinc/84/30/57/503843057.db2.gz XRWRZCVCVDELNE-RTWAWAEBSA-N 1 3 363.590 3.467 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccc(F)cc1 ZINC000517922578 503868569 /nfs/dbraw/zinc/86/85/69/503868569.db2.gz KIMKLZICLMDXGY-HXUWFJFHSA-N 1 3 360.473 3.195 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccc(F)cc1 ZINC000517922578 503868573 /nfs/dbraw/zinc/86/85/73/503868573.db2.gz KIMKLZICLMDXGY-HXUWFJFHSA-N 1 3 360.473 3.195 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(CC)CC ZINC000543777245 503887979 /nfs/dbraw/zinc/88/79/79/503887979.db2.gz RMXQGTZDVVLEDS-NJDAHSKKSA-N 1 3 360.542 3.327 20 0 FGADHO FC(F)(F)Oc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240451 503889700 /nfs/dbraw/zinc/88/97/00/503889700.db2.gz LDPOXCAMHKQULA-KRWDZBQOSA-N 1 3 358.404 3.176 20 0 FGADHO Clc1ccc2cccnc2c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242903 503891228 /nfs/dbraw/zinc/89/12/28/503891228.db2.gz VSCNAXNLPCSCMK-QGZVFWFLSA-N 1 3 359.901 3.479 20 0 FGADHO Clc1cccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249089 503894108 /nfs/dbraw/zinc/89/41/08/503894108.db2.gz UDYDOYCGVQMDLU-IBGZPJMESA-N 1 3 374.916 3.321 20 0 FGADHO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000540988598 503966316 /nfs/dbraw/zinc/96/63/16/503966316.db2.gz NVVPSNVJZIYBGS-QHAWAJNXSA-N 1 3 360.542 3.327 20 0 FGADHO CCOc1c(OC)cc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000537617294 503976656 /nfs/dbraw/zinc/97/66/56/503976656.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 1 3 350.503 3.407 20 0 FGADHO CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000537617294 503976660 /nfs/dbraw/zinc/97/66/60/503976660.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 1 3 350.503 3.407 20 0 FGADHO CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620231 503978916 /nfs/dbraw/zinc/97/89/16/503978916.db2.gz SNQDTLVGQVMWCX-DENIHFKCSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620231 503978917 /nfs/dbraw/zinc/97/89/17/503978917.db2.gz SNQDTLVGQVMWCX-DENIHFKCSA-N 1 3 359.558 3.323 20 0 FGADHO Cc1ccccc1[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C ZINC000530713473 504061024 /nfs/dbraw/zinc/06/10/24/504061024.db2.gz BAKQOZLXXLDWAN-LJQANCHMSA-N 1 3 362.562 3.217 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286224 504073011 /nfs/dbraw/zinc/07/30/11/504073011.db2.gz IPJIXKLKHJSABN-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(OCCN(C)C)cc1 ZINC000537938962 504090255 /nfs/dbraw/zinc/09/02/55/504090255.db2.gz YJLDVIVOWRFCAO-MRXNPFEDSA-N 1 3 354.498 3.188 20 0 FGADHO Cc1cc([C@H](NCCC[N@H+]2CCCN(C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102465 /nfs/dbraw/zinc/10/24/65/504102465.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@H](NCCC[N@@H+]2CCCN(C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102471 /nfs/dbraw/zinc/10/24/71/504102471.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@H](NCCCN2CCC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102473 /nfs/dbraw/zinc/10/24/73/504102473.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@H](NCCCN2CCC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102476 /nfs/dbraw/zinc/10/24/76/504102476.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 1 3 370.516 3.236 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385298 504113215 /nfs/dbraw/zinc/11/32/15/504113215.db2.gz KCFDFVYZUBDXFB-RHSMWYFYSA-N 1 3 358.448 3.373 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385298 504113219 /nfs/dbraw/zinc/11/32/19/504113219.db2.gz KCFDFVYZUBDXFB-RHSMWYFYSA-N 1 3 358.448 3.373 20 0 FGADHO C[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000544406746 504122363 /nfs/dbraw/zinc/12/23/63/504122363.db2.gz ZUDAKJUMWWHTTH-HXUWFJFHSA-N 1 3 352.526 3.062 20 0 FGADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(CC)CC ZINC000531056835 504173527 /nfs/dbraw/zinc/17/35/27/504173527.db2.gz BLGDXZZZDDGXJH-OTYNDTSQSA-N 1 3 357.542 3.419 20 0 FGADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(CC)CC ZINC000531056835 504173530 /nfs/dbraw/zinc/17/35/30/504173530.db2.gz BLGDXZZZDDGXJH-OTYNDTSQSA-N 1 3 357.542 3.419 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000519489336 504231575 /nfs/dbraw/zinc/23/15/75/504231575.db2.gz LQXPNMSNLUMUND-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000519489336 504231578 /nfs/dbraw/zinc/23/15/78/504231578.db2.gz LQXPNMSNLUMUND-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396097 504234085 /nfs/dbraw/zinc/23/40/85/504234085.db2.gz QBDFKFHFBXEHDM-BURNTYAHSA-N 1 3 360.542 3.489 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396097 504234092 /nfs/dbraw/zinc/23/40/92/504234092.db2.gz QBDFKFHFBXEHDM-BURNTYAHSA-N 1 3 360.542 3.489 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000538402883 504236686 /nfs/dbraw/zinc/23/66/86/504236686.db2.gz WPJMJIMCJXTWKE-UHFFFAOYSA-N 1 3 353.510 3.257 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)N(C)C)cc1 ZINC000541836991 504268937 /nfs/dbraw/zinc/26/89/37/504268937.db2.gz CLILCMNFHBHUCB-LJQANCHMSA-N 1 3 360.546 3.019 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000528577858 504279808 /nfs/dbraw/zinc/27/98/08/504279808.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 1 3 371.569 3.335 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000528577858 504279814 /nfs/dbraw/zinc/27/98/14/504279814.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 1 3 371.569 3.335 20 0 FGADHO c1ccc(C[N@H+]2CCC3(C2)CCN(CCOC[C@H]2CCCO2)CC3)cc1 ZINC000534964767 504296802 /nfs/dbraw/zinc/29/68/02/504296802.db2.gz AHZUDVOWLYDNER-OAQYLSRUSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(CCOC[C@H]2CCCO2)CC3)cc1 ZINC000534964767 504296808 /nfs/dbraw/zinc/29/68/08/504296808.db2.gz AHZUDVOWLYDNER-OAQYLSRUSA-N 1 3 358.526 3.170 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3c[nH]cn3)CC2)CC1 ZINC000538728512 504345821 /nfs/dbraw/zinc/34/58/21/504345821.db2.gz BYGNLKCVNDYKMX-UHFFFAOYSA-N 1 3 367.541 3.321 20 0 FGADHO CC(C)[C@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923809 504385052 /nfs/dbraw/zinc/38/50/52/504385052.db2.gz PPLHRCOVLWKYIW-IBGZPJMESA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531683356 504392291 /nfs/dbraw/zinc/39/22/91/504392291.db2.gz IEXJHPZHVHBVPH-UONOGXRCSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000531683356 504392293 /nfs/dbraw/zinc/39/22/93/504392293.db2.gz IEXJHPZHVHBVPH-UONOGXRCSA-N 1 3 369.431 3.496 20 0 FGADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000520054716 504404799 /nfs/dbraw/zinc/40/47/99/504404799.db2.gz ICIPIWCQHSAREZ-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226421 504440254 /nfs/dbraw/zinc/44/02/54/504440254.db2.gz QNPKFIPBRAHSMT-VQTJNVASSA-N 1 3 355.526 3.133 20 0 FGADHO COCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548483920 504462445 /nfs/dbraw/zinc/46/24/45/504462445.db2.gz BAKZPPIXDRRGOB-RXVVDRJESA-N 1 3 369.509 3.107 20 0 FGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539072145 504464967 /nfs/dbraw/zinc/46/49/67/504464967.db2.gz MOMZADKXXHYXJB-SFTDATJTSA-N 1 3 357.542 3.427 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639559 504546815 /nfs/dbraw/zinc/54/68/15/504546815.db2.gz FTRFCJOCIZHNFB-ICSRJNTNSA-N 1 3 366.509 3.361 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639559 504546821 /nfs/dbraw/zinc/54/68/21/504546821.db2.gz FTRFCJOCIZHNFB-ICSRJNTNSA-N 1 3 366.509 3.361 20 0 FGADHO Cc1cc(C)cc(OCCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000542592662 504547949 /nfs/dbraw/zinc/54/79/49/504547949.db2.gz DUEFOXYWSNPHTC-UHFFFAOYSA-N 1 3 373.585 3.422 20 0 FGADHO CCc1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000539426987 504567963 /nfs/dbraw/zinc/56/79/63/504567963.db2.gz CPKGVJXVWBHPGG-UHFFFAOYSA-N 1 3 372.582 3.393 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734734 504569385 /nfs/dbraw/zinc/56/93/85/504569385.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 1 3 373.516 3.171 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734734 504569389 /nfs/dbraw/zinc/56/93/89/504569389.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 1 3 373.516 3.171 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794941 504583917 /nfs/dbraw/zinc/58/39/17/504583917.db2.gz MGRWWJARXIMDHM-CEXWTWQISA-N 1 3 351.579 3.323 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794941 504583922 /nfs/dbraw/zinc/58/39/22/504583922.db2.gz MGRWWJARXIMDHM-CEXWTWQISA-N 1 3 351.579 3.323 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000542786169 504609295 /nfs/dbraw/zinc/60/92/95/504609295.db2.gz FIJFNFDNKMKHFH-IBGZPJMESA-N 1 3 372.557 3.411 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000542786169 504609299 /nfs/dbraw/zinc/60/92/99/504609299.db2.gz FIJFNFDNKMKHFH-IBGZPJMESA-N 1 3 372.557 3.411 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609281 504624714 /nfs/dbraw/zinc/62/47/14/504624714.db2.gz QUAIMQDKMVYMNP-SJORKVTESA-N 1 3 356.432 3.388 20 0 FGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840345 504631111 /nfs/dbraw/zinc/63/11/11/504631111.db2.gz JLPKXOAOPSGBPC-HNNXBMFYSA-N 1 3 352.404 3.275 20 0 FGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840345 504631115 /nfs/dbraw/zinc/63/11/15/504631115.db2.gz JLPKXOAOPSGBPC-HNNXBMFYSA-N 1 3 352.404 3.275 20 0 FGADHO CC(C)C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523293 504682133 /nfs/dbraw/zinc/68/21/33/504682133.db2.gz VVNFNNZFEVBCIB-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000539825363 504706046 /nfs/dbraw/zinc/70/60/46/504706046.db2.gz OUDYWECPKAGUEA-UHFFFAOYSA-N 1 3 350.503 3.027 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000539832380 504708700 /nfs/dbraw/zinc/70/87/00/504708700.db2.gz SCQLCKOKBHOBLD-UHFFFAOYSA-N 1 3 369.509 3.203 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000543066533 504710288 /nfs/dbraw/zinc/71/02/88/504710288.db2.gz HOEAJYQQXABCBZ-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CC[C@@H](C)C1 ZINC000543066533 504710291 /nfs/dbraw/zinc/71/02/91/504710291.db2.gz HOEAJYQQXABCBZ-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO CCOc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)cc1OC ZINC000529567639 504729988 /nfs/dbraw/zinc/72/99/88/504729988.db2.gz MJYPRMCOVPDXAV-MRXNPFEDSA-N 1 3 350.478 3.397 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)[C@H](O)C(C)C)CC1 ZINC000532828705 504764432 /nfs/dbraw/zinc/76/44/32/504764432.db2.gz LUZWBQWZLKTUEQ-OAQYLSRUSA-N 1 3 361.574 3.351 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCNc2cccc(C)n2)CC1 ZINC000532867109 504769579 /nfs/dbraw/zinc/76/95/79/504769579.db2.gz XBNYCLOSYGMCGH-UHFFFAOYSA-N 1 3 367.541 3.124 20 0 FGADHO CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000562306329 504778693 /nfs/dbraw/zinc/77/86/93/504778693.db2.gz BJTQZDSAXWSFEX-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO OC[C@@H](Cc1ccc(F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000552920868 504787811 /nfs/dbraw/zinc/78/78/11/504787811.db2.gz OFERUPDOZCRIPY-JOCHJYFZSA-N 1 3 356.485 3.026 20 0 FGADHO CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000549348764 504797902 /nfs/dbraw/zinc/79/79/02/504797902.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 1 3 352.526 3.432 20 0 FGADHO CCn1nccc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000549348764 504797906 /nfs/dbraw/zinc/79/79/06/504797906.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 1 3 352.526 3.432 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3cccs3)CC2)CC1 ZINC000553005566 504802850 /nfs/dbraw/zinc/80/28/50/504802850.db2.gz SRLLSCOYGAKOTR-MRXNPFEDSA-N 1 3 363.571 3.464 20 0 FGADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000553009434 504803712 /nfs/dbraw/zinc/80/37/12/504803712.db2.gz MZIICXCJVCEZOY-XLIONFOSSA-N 1 3 354.494 3.470 20 0 FGADHO CCc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000565485379 504901565 /nfs/dbraw/zinc/90/15/65/504901565.db2.gz DGXSASZPNYPJPX-UHFFFAOYSA-N 1 3 357.542 3.063 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@]1(O)CCCC1(C)C)C1CCN(C)CC1 ZINC000549858522 504918629 /nfs/dbraw/zinc/91/86/29/504918629.db2.gz YXVATJAKKFRGMT-JOCHJYFZSA-N 1 3 359.558 3.248 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@H]2CC=CCC2)CC1 ZINC000562894465 504978728 /nfs/dbraw/zinc/97/87/28/504978728.db2.gz PJCXLHXSDNEYQM-FQEVSTJZSA-N 1 3 369.553 3.364 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 ZINC000562962875 505001205 /nfs/dbraw/zinc/00/12/05/505001205.db2.gz XDXIGHFFDMBBKD-DIFIXFHHSA-N 1 3 371.504 3.130 20 0 FGADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556884438 505005642 /nfs/dbraw/zinc/00/56/42/505005642.db2.gz KFYCWHBPVPDWLN-LILSUDLASA-N 1 3 369.553 3.182 20 0 FGADHO C[C@@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046636 505032628 /nfs/dbraw/zinc/03/26/28/505032628.db2.gz CDBJQLSIYQJFCF-UNMCSNQZSA-N 1 3 371.569 3.179 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1Cl ZINC000566063324 505069373 /nfs/dbraw/zinc/06/93/73/505069373.db2.gz OMXQMGSGRJTWED-KRWDZBQOSA-N 1 3 352.906 3.076 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000550830900 505111205 /nfs/dbraw/zinc/11/12/05/505111205.db2.gz LRANWQWCCWORNA-BDKRGJGYSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000550830900 505111207 /nfs/dbraw/zinc/11/12/07/505111207.db2.gz LRANWQWCCWORNA-BDKRGJGYSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000550830900 505111211 /nfs/dbraw/zinc/11/12/11/505111211.db2.gz LRANWQWCCWORNA-BDKRGJGYSA-N 1 3 371.569 3.429 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000554217588 505118658 /nfs/dbraw/zinc/11/86/58/505118658.db2.gz DVZIYEQSZRUZKY-JOCHJYFZSA-N 1 3 372.557 3.026 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000563375608 505125357 /nfs/dbraw/zinc/12/53/57/505125357.db2.gz DRJWEKUXZDOGFR-UZLBHIALSA-N 1 3 373.541 3.216 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000551006637 505141689 /nfs/dbraw/zinc/14/16/89/505141689.db2.gz VAMQAMFSPDEKEJ-NRFANRHFSA-N 1 3 365.521 3.182 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087643 505155103 /nfs/dbraw/zinc/15/51/03/505155103.db2.gz VNXVQLPEMFGLPP-AFXVXQJMSA-N 1 3 371.569 3.179 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000560754412 505178678 /nfs/dbraw/zinc/17/86/78/505178678.db2.gz ADUZTHNSGVCHPI-GOSISDBHSA-N 1 3 372.557 3.200 20 0 FGADHO CCN(C)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000551219135 505180020 /nfs/dbraw/zinc/18/00/20/505180020.db2.gz BNWAVYQQZPNTKG-UHFFFAOYSA-N 1 3 368.525 3.301 20 0 FGADHO CN[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000566469252 505184264 /nfs/dbraw/zinc/18/42/64/505184264.db2.gz CTQSEJPQKCLLET-KRWDZBQOSA-N 1 3 351.494 3.174 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592514 505263799 /nfs/dbraw/zinc/26/37/99/505263799.db2.gz QMUYLZOMIHVISV-LSDHHAIUSA-N 1 3 358.267 3.254 20 0 FGADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551978323 505359883 /nfs/dbraw/zinc/35/98/83/505359883.db2.gz MSKQDBQOQAYVER-QGZVFWFLSA-N 1 3 362.514 3.179 20 0 FGADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551978323 505359884 /nfs/dbraw/zinc/35/98/84/505359884.db2.gz MSKQDBQOQAYVER-QGZVFWFLSA-N 1 3 362.514 3.179 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1conc1Cc1ccccc1 ZINC000552042624 505378962 /nfs/dbraw/zinc/37/89/62/505378962.db2.gz QUJCCAJZSATXST-NRFANRHFSA-N 1 3 370.541 3.113 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1conc1Cc1ccccc1 ZINC000552042624 505378965 /nfs/dbraw/zinc/37/89/65/505378965.db2.gz QUJCCAJZSATXST-NRFANRHFSA-N 1 3 370.541 3.113 20 0 FGADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552250238 505440443 /nfs/dbraw/zinc/44/04/43/505440443.db2.gz YZAWRCODWPZIJX-BHIFYINESA-N 1 3 352.526 3.472 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284325 505450281 /nfs/dbraw/zinc/45/02/81/505450281.db2.gz WOJITBJWLKKGRR-KZNAEPCWSA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284325 505450285 /nfs/dbraw/zinc/45/02/85/505450285.db2.gz WOJITBJWLKKGRR-KZNAEPCWSA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284325 505450287 /nfs/dbraw/zinc/45/02/87/505450287.db2.gz WOJITBJWLKKGRR-KZNAEPCWSA-N 1 3 359.905 3.192 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000564552561 505451509 /nfs/dbraw/zinc/45/15/09/505451509.db2.gz VGRSFXWEVQMHAK-PXNSSMCTSA-N 1 3 372.557 3.289 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000558820481 505502137 /nfs/dbraw/zinc/50/21/37/505502137.db2.gz BYUBZQUYFMHQJP-QFIPXVFZSA-N 1 3 365.521 3.185 20 0 FGADHO CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000564860558 505542372 /nfs/dbraw/zinc/54/23/72/505542372.db2.gz QGFMPDZFOIEKPW-FCHUYYIVSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860558 505542374 /nfs/dbraw/zinc/54/23/74/505542374.db2.gz QGFMPDZFOIEKPW-FCHUYYIVSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860558 505542376 /nfs/dbraw/zinc/54/23/76/505542376.db2.gz QGFMPDZFOIEKPW-FCHUYYIVSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c2)CC1 ZINC000564992846 505566226 /nfs/dbraw/zinc/56/62/26/505566226.db2.gz KQIOTCSNCCDKCB-YYWHXJBOSA-N 1 3 370.541 3.076 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cn1C ZINC000589168604 506467918 /nfs/dbraw/zinc/46/79/18/506467918.db2.gz GAXRFSXODPYZET-KRWDZBQOSA-N 1 3 369.509 3.333 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1C ZINC000589168604 506467925 /nfs/dbraw/zinc/46/79/25/506467925.db2.gz GAXRFSXODPYZET-KRWDZBQOSA-N 1 3 369.509 3.333 20 0 FGADHO CN(C)CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000603272482 506474194 /nfs/dbraw/zinc/47/41/94/506474194.db2.gz FWXRLIXGBTXLOE-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000589213233 506486460 /nfs/dbraw/zinc/48/64/60/506486460.db2.gz QHJRFBDJKPOTND-QUCCMNQESA-N 1 3 372.557 3.338 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000608414575 506549902 /nfs/dbraw/zinc/54/99/02/506549902.db2.gz LKKJNKADIZTAAX-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO Fc1ccc(CN2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000583147553 506616702 /nfs/dbraw/zinc/61/67/02/506616702.db2.gz NXYNAZUKXZHSCF-UHFFFAOYSA-N 1 3 353.485 3.179 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634594 506641417 /nfs/dbraw/zinc/64/14/17/506641417.db2.gz QENDFSIMLWAROU-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634594 506641420 /nfs/dbraw/zinc/64/14/20/506641420.db2.gz QENDFSIMLWAROU-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693366 506669097 /nfs/dbraw/zinc/66/90/97/506669097.db2.gz PWDDOPOZTXNQEA-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604176085 506738067 /nfs/dbraw/zinc/73/80/67/506738067.db2.gz VMVXWQKIZSPRNN-PWRODBHTSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604176085 506738070 /nfs/dbraw/zinc/73/80/70/506738070.db2.gz VMVXWQKIZSPRNN-PWRODBHTSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000604202207 506750330 /nfs/dbraw/zinc/75/03/30/506750330.db2.gz STQOAKPNOPWYKE-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128597 506930753 /nfs/dbraw/zinc/93/07/53/506930753.db2.gz HNLXALGLGTXDAE-SIKLNZKXSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128597 506930756 /nfs/dbraw/zinc/93/07/56/506930756.db2.gz HNLXALGLGTXDAE-SIKLNZKXSA-N 1 3 371.569 3.130 20 0 FGADHO Cc1cccc(OC[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000583866802 507019522 /nfs/dbraw/zinc/01/95/22/507019522.db2.gz HWFNWDFIFYNFDY-OAQYLSRUSA-N 1 3 354.494 3.120 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000594231160 507027557 /nfs/dbraw/zinc/02/75/57/507027557.db2.gz BCFPAWPBURBHSO-CALCHBBNSA-N 1 3 362.518 3.011 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000594231160 507027562 /nfs/dbraw/zinc/02/75/62/507027562.db2.gz BCFPAWPBURBHSO-CALCHBBNSA-N 1 3 362.518 3.011 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594288930 507064353 /nfs/dbraw/zinc/06/43/53/507064353.db2.gz ZCBMTYUVXHHKRH-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Br)cs1 ZINC000584089477 507145747 /nfs/dbraw/zinc/14/57/47/507145747.db2.gz PUHDTEVGBJMLAA-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N1CCCC1 ZINC000591430853 507247997 /nfs/dbraw/zinc/24/79/97/507247997.db2.gz VRZGAMGCFWQSFV-OALUTQOASA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N1CCCC1 ZINC000591430853 507248004 /nfs/dbraw/zinc/24/80/04/507248004.db2.gz VRZGAMGCFWQSFV-OALUTQOASA-N 1 3 373.541 3.154 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000601215161 507298166 /nfs/dbraw/zinc/29/81/66/507298166.db2.gz YBFSFZMBECNTHK-IRXDYDNUSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000584458139 507356716 /nfs/dbraw/zinc/35/67/16/507356716.db2.gz QTRLRPCETHHXBW-HZPDHXFCSA-N 1 3 358.530 3.210 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662394 516710062 /nfs/dbraw/zinc/71/00/62/516710062.db2.gz VDCFAZCNGKFTBE-HBMCJLEFSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662394 516710066 /nfs/dbraw/zinc/71/00/66/516710066.db2.gz VDCFAZCNGKFTBE-HBMCJLEFSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662394 516710072 /nfs/dbraw/zinc/71/00/72/516710072.db2.gz VDCFAZCNGKFTBE-HBMCJLEFSA-N 1 3 365.525 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877612 609133736 /nfs/dbraw/zinc/13/37/36/609133736.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877612 609133737 /nfs/dbraw/zinc/13/37/37/609133737.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877612 609133738 /nfs/dbraw/zinc/13/37/38/609133738.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877612 609133739 /nfs/dbraw/zinc/13/37/39/609133739.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584657 609142758 /nfs/dbraw/zinc/14/27/58/609142758.db2.gz DECQOQLMZVABFG-OAHLLOKOSA-N 1 3 360.481 3.313 20 0 FGADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584657 609142760 /nfs/dbraw/zinc/14/27/60/609142760.db2.gz DECQOQLMZVABFG-OAHLLOKOSA-N 1 3 360.481 3.313 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000088727821 700380822 /nfs/dbraw/zinc/38/08/22/700380822.db2.gz NMCKBZJJFZAKOB-HXUWFJFHSA-N 1 3 359.539 3.103 20 0 FGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000641805849 717930983 /nfs/dbraw/zinc/93/09/83/717930983.db2.gz OWSZCINGWVJHGX-AOIWGVFYSA-N 1 3 357.523 3.059 20 0 FGADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(N)CCOCC1 ZINC000629523826 716302541 /nfs/dbraw/zinc/30/25/41/716302541.db2.gz JUHXOPXTZIQSIM-IAQYHMDHSA-N 1 3 371.344 3.330 20 0 FGADHO [NH3+]CCCOCCN[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000629535768 716304301 /nfs/dbraw/zinc/30/43/01/716304301.db2.gz FUPOYQOPDXNLTE-SFHVURJKSA-N 1 3 363.299 3.494 20 0 FGADHO COc1ncc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000638335497 717435712 /nfs/dbraw/zinc/43/57/12/717435712.db2.gz NJPMZIAMRHLXEW-HUUCEWRRSA-N 1 3 361.511 3.051 20 0 FGADHO CC(C)(O)C[NH+]1CCC(NC2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000639128878 717519649 /nfs/dbraw/zinc/51/96/49/717519649.db2.gz MOUHKZPDNBHGOL-UHFFFAOYSA-N 1 3 354.897 3.492 20 0 FGADHO Cc1cc(Cl)cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000645158729 718188230 /nfs/dbraw/zinc/18/82/30/718188230.db2.gz XYZIBQYOKAYKEZ-UHFFFAOYSA-N 1 3 359.901 3.230 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000645804251 718242708 /nfs/dbraw/zinc/24/27/08/718242708.db2.gz LIVQWVYRWFPXFJ-SFHVURJKSA-N 1 3 363.571 3.241 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975971 718391068 /nfs/dbraw/zinc/39/10/68/718391068.db2.gz IHRCCDNWSIBMBO-GVDBMIGSSA-N 1 3 361.555 3.447 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975973 718391319 /nfs/dbraw/zinc/39/13/19/718391319.db2.gz IHRCCDNWSIBMBO-YESZJQIVSA-N 1 3 361.555 3.447 20 0 FGADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000650567313 718699587 /nfs/dbraw/zinc/69/95/87/718699587.db2.gz WZYOVHQDLXIEEF-QGZVFWFLSA-N 1 3 364.559 3.012 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338743 720032974 /nfs/dbraw/zinc/03/29/74/720032974.db2.gz LWZJAZDUXPHLBE-SJORKVTESA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338743 720032977 /nfs/dbraw/zinc/03/29/77/720032977.db2.gz LWZJAZDUXPHLBE-SJORKVTESA-N 1 3 366.575 3.303 20 0 FGADHO CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296751 720411454 /nfs/dbraw/zinc/41/14/54/720411454.db2.gz MZAGOSIEMHYJTM-WBVHZDCISA-N 1 3 361.555 3.447 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662347498 720417537 /nfs/dbraw/zinc/41/75/37/720417537.db2.gz GJXFTHCXNLZRKY-KRWDZBQOSA-N 1 3 357.523 3.207 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000663452498 720516625 /nfs/dbraw/zinc/51/66/25/720516625.db2.gz ZKICJIRBHGCYOU-HZPDHXFCSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000663452498 720516626 /nfs/dbraw/zinc/51/66/26/720516626.db2.gz ZKICJIRBHGCYOU-HZPDHXFCSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995500 721010691 /nfs/dbraw/zinc/01/06/91/721010691.db2.gz PIHRXCLRPWKALL-DOTOQJQBSA-N 1 3 363.933 3.341 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995782 721010925 /nfs/dbraw/zinc/01/09/25/721010925.db2.gz ZWXFVGDIKSNZHR-UKRRQHHQSA-N 1 3 365.905 3.330 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644668 721325477 /nfs/dbraw/zinc/32/54/77/721325477.db2.gz GATPDDQMSWQAAN-BRWVUGGUSA-N 1 3 364.559 3.090 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133762 721518991 /nfs/dbraw/zinc/51/89/91/721518991.db2.gz IURRZIGPFKMMQL-SQNIBIBYSA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022096 721802754 /nfs/dbraw/zinc/80/27/54/721802754.db2.gz HVJMVHOHKZHALM-IHPCNDPISA-N 1 3 365.525 3.280 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022096 721802755 /nfs/dbraw/zinc/80/27/55/721802755.db2.gz HVJMVHOHKZHALM-IHPCNDPISA-N 1 3 365.525 3.280 20 0 FGADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974623 /nfs/dbraw/zinc/97/46/23/722974623.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974624 /nfs/dbraw/zinc/97/46/24/722974624.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO COc1c(C)cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000796982310 723662325 /nfs/dbraw/zinc/66/23/25/723662325.db2.gz IJPPPGORHCPHRR-OAHLLOKOSA-N 1 3 353.938 3.334 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809606290 725251796 /nfs/dbraw/zinc/25/17/96/725251796.db2.gz OUFWAZOURAGZHO-GJZGRUSLSA-N 1 3 353.532 3.036 20 0 FGADHO C[C@@H]1CN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299693 /nfs/dbraw/zinc/29/96/93/725299693.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1CN([C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299694 /nfs/dbraw/zinc/29/96/94/725299694.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 1 3 351.535 3.096 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525719 725372585 /nfs/dbraw/zinc/37/25/85/725372585.db2.gz XXCYLRUMLVROAB-DOXZYTNZSA-N 1 3 353.482 3.038 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525719 725372586 /nfs/dbraw/zinc/37/25/86/725372586.db2.gz XXCYLRUMLVROAB-DOXZYTNZSA-N 1 3 353.482 3.038 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817888907 727286937 /nfs/dbraw/zinc/28/69/37/727286937.db2.gz LEFXZZRPIWHYSI-DIFFPNOSSA-N 1 3 353.388 3.252 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929066 727288092 /nfs/dbraw/zinc/28/80/92/727288092.db2.gz IRYOYQPKXHZISM-BRSBDYLESA-N 1 3 367.331 3.383 20 0 FGADHO C[C@H]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451874 729176567 /nfs/dbraw/zinc/17/65/67/729176567.db2.gz RHZUYCRGODZUTL-MAUKXSAKSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666183 729297428 /nfs/dbraw/zinc/29/74/28/729297428.db2.gz HJZIVWUXYJKCIJ-WNRNVDISSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666183 729297430 /nfs/dbraw/zinc/29/74/30/729297430.db2.gz HJZIVWUXYJKCIJ-WNRNVDISSA-N 1 3 351.535 3.381 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566638 729814935 /nfs/dbraw/zinc/81/49/35/729814935.db2.gz PTLVZAFTUVTONT-KZNAEPCWSA-N 1 3 353.551 3.484 20 0 FGADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364724 730610777 /nfs/dbraw/zinc/61/07/77/730610777.db2.gz NGRHKXUSPAMSET-MRXNPFEDSA-N 1 3 368.308 3.174 20 0 FGADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363854 730611044 /nfs/dbraw/zinc/61/10/44/730611044.db2.gz FPNYKXXYNOZDQT-ZDUSSCGKSA-N 1 3 370.324 3.246 20 0 FGADHO [NH2+]=C(NCc1ccc(Cl)nc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849054171 731224713 /nfs/dbraw/zinc/22/47/13/731224713.db2.gz NREMEJYAVRFXJW-UHFFFAOYSA-N 1 3 357.889 3.014 20 0 FGADHO C[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1nccs1 ZINC000849081740 731227020 /nfs/dbraw/zinc/22/70/20/731227020.db2.gz BKHMKSJSQPHYFM-HNNXBMFYSA-N 1 3 357.527 3.025 20 0 FGADHO CN(C)C1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000849090011 731227845 /nfs/dbraw/zinc/22/78/45/731227845.db2.gz NHIPOHGTKAYPFC-UHFFFAOYSA-N 1 3 358.408 3.074 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1SC(F)F ZINC000854226198 731806170 /nfs/dbraw/zinc/80/61/70/731806170.db2.gz JMYAHLMJVABCFF-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1SC(F)F ZINC000854226198 731806175 /nfs/dbraw/zinc/80/61/75/731806175.db2.gz JMYAHLMJVABCFF-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO Cc1ccccc1SC[C@@H](C)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000859193232 732288304 /nfs/dbraw/zinc/28/83/04/732288304.db2.gz RZARSUCNDPAYPE-ICSRJNTNSA-N 1 3 361.599 3.435 20 0 FGADHO Cc1ccccc1SC[C@@H](C)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193232 732288308 /nfs/dbraw/zinc/28/83/08/732288308.db2.gz RZARSUCNDPAYPE-ICSRJNTNSA-N 1 3 361.599 3.435 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894456168 742285925 /nfs/dbraw/zinc/28/59/25/742285925.db2.gz MLNPMZGTULGUAL-MOPGFXCFSA-N 1 3 350.478 3.204 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345548 743734602 /nfs/dbraw/zinc/73/46/02/743734602.db2.gz DAQGXHAPWNKLRW-RKVPGOIHSA-N 1 3 374.497 3.080 20 0 FGADHO [NH3+]CCCC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368185 743737500 /nfs/dbraw/zinc/73/75/00/743737500.db2.gz FBTVGOQJXZYIQU-QAPCUYQASA-N 1 3 354.441 3.410 20 0 FGADHO COc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000903498730 743856578 /nfs/dbraw/zinc/85/65/78/743856578.db2.gz CMPITDOCIQRNAQ-ZIAGYGMSSA-N 1 3 361.511 3.244 20 0 FGADHO [NH3+][C@@H](CNCC1(c2cccc(C(F)(F)F)c2)CCOCC1)CC(F)F ZINC000903919159 743897177 /nfs/dbraw/zinc/89/71/77/743897177.db2.gz AOLJEDIPTZDYAY-CQSZACIVSA-N 1 3 366.374 3.326 20 0 FGADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903955236 743904684 /nfs/dbraw/zinc/90/46/84/743904684.db2.gz NMVLYXDECUNFCS-GFCCVEGCSA-N 1 3 370.241 3.332 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+]C[C@H](N)CCC(C)(C)C)CC2)oc1C ZINC000904360199 743949176 /nfs/dbraw/zinc/94/91/76/743949176.db2.gz JLPRXIHFVUJYMF-GOSISDBHSA-N 1 3 350.551 3.247 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469705 /nfs/dbraw/zinc/46/97/05/760469705.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469713 /nfs/dbraw/zinc/46/97/13/760469713.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 1 3 351.535 3.096 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC000968737755 762842180 /nfs/dbraw/zinc/84/21/80/762842180.db2.gz GIQWFLVVFXNFTK-ZIFCJYIRSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC000968737755 762842196 /nfs/dbraw/zinc/84/21/96/762842196.db2.gz GIQWFLVVFXNFTK-ZIFCJYIRSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCCN(C/C=C/Cl)CC2)CC[N@@H+]1C ZINC000998006642 765091575 /nfs/dbraw/zinc/09/15/75/765091575.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCCN(C/C=C/Cl)CC2)CC[N@H+]1C ZINC000998006642 765091581 /nfs/dbraw/zinc/09/15/81/765091581.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938715 766576353 /nfs/dbraw/zinc/57/63/53/766576353.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 1 3 367.965 3.174 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938715 766576360 /nfs/dbraw/zinc/57/63/60/766576360.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 1 3 367.965 3.174 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC(F)(F)CC3)CC2)CC1 ZINC000576715450 505577483 /nfs/dbraw/zinc/57/74/83/505577483.db2.gz JFKQOKVXPLGLGC-UHFFFAOYSA-N 1 3 371.516 3.124 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000567968200 505585547 /nfs/dbraw/zinc/58/55/47/505585547.db2.gz MWRBNNHGYZQLOL-UHFFFAOYSA-N 1 3 365.521 3.364 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3ccccc3C)CC2)CC1 ZINC000570864536 505598593 /nfs/dbraw/zinc/59/85/93/505598593.db2.gz VMNUZLSUAVRARF-LJQANCHMSA-N 1 3 371.569 3.239 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000576897368 505619066 /nfs/dbraw/zinc/61/90/66/505619066.db2.gz ZIGJICNRBIUCMC-XLIONFOSSA-N 1 3 360.546 3.017 20 0 FGADHO CCCc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000571207756 505679787 /nfs/dbraw/zinc/67/97/87/505679787.db2.gz GZQHSFZOBVPFIF-UHFFFAOYSA-N 1 3 371.569 3.453 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000057609235 493776568 /nfs/dbraw/zinc/77/65/68/493776568.db2.gz QWWCCUZVEZEPQO-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000068369225 493806284 /nfs/dbraw/zinc/80/62/84/493806284.db2.gz MVEAKRPBRNDWRH-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332159 493867724 /nfs/dbraw/zinc/86/77/24/493867724.db2.gz PGPCBEMZTOJSKA-CQSZACIVSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332159 493867727 /nfs/dbraw/zinc/86/77/27/493867727.db2.gz PGPCBEMZTOJSKA-CQSZACIVSA-N 1 3 370.900 3.359 20 0 FGADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050802326 493935795 /nfs/dbraw/zinc/93/57/95/493935795.db2.gz IUVFCCYMRUEKLO-NRFANRHFSA-N 1 3 357.542 3.245 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(Cl)s3)CC2)CC1 ZINC000050797781 493935877 /nfs/dbraw/zinc/93/58/77/493935877.db2.gz CXORDLIZXWHBST-UHFFFAOYSA-N 1 3 369.962 3.009 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953502 /nfs/dbraw/zinc/95/35/02/493953502.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953504 /nfs/dbraw/zinc/95/35/04/493953504.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO O=C(NCCN1CCCCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060798191 493955042 /nfs/dbraw/zinc/95/50/42/493955042.db2.gz OPPZHNWRKICNJZ-UHFFFAOYSA-N 1 3 372.557 3.348 20 0 FGADHO CC(C)Oc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000076893946 493985206 /nfs/dbraw/zinc/98/52/06/493985206.db2.gz DFPPOVJLRGZBRU-UHFFFAOYSA-N 1 3 369.509 3.055 20 0 FGADHO c1cc(CN2CCOC3(CCOCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000571263306 505692760 /nfs/dbraw/zinc/69/27/60/505692760.db2.gz ZAMIIXVGGSZZPD-UHFFFAOYSA-N 1 3 358.526 3.444 20 0 FGADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000052559847 494040037 /nfs/dbraw/zinc/04/00/37/494040037.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 1 3 372.557 3.345 20 0 FGADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000052559847 494040040 /nfs/dbraw/zinc/04/00/40/494040040.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)CC2)CC1 ZINC000063302444 494042527 /nfs/dbraw/zinc/04/25/27/494042527.db2.gz BHXPHESOHAJBIE-GOSISDBHSA-N 1 3 357.542 3.198 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000084381569 494068102 /nfs/dbraw/zinc/06/81/02/494068102.db2.gz BDMWNPCCOPTALX-QGZVFWFLSA-N 1 3 363.571 3.293 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000084381569 494068104 /nfs/dbraw/zinc/06/81/04/494068104.db2.gz BDMWNPCCOPTALX-QGZVFWFLSA-N 1 3 363.571 3.293 20 0 FGADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000063771112 494086344 /nfs/dbraw/zinc/08/63/44/494086344.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 1 3 357.542 3.374 20 0 FGADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000063771112 494086346 /nfs/dbraw/zinc/08/63/46/494086346.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388350 494119227 /nfs/dbraw/zinc/11/92/27/494119227.db2.gz OWKCAFFNQPLXPC-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147019 /nfs/dbraw/zinc/14/70/19/494147019.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147021 /nfs/dbraw/zinc/14/70/21/494147021.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000065521804 494208685 /nfs/dbraw/zinc/20/86/85/494208685.db2.gz ZOMSCIGTMKNWOR-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000088687622 494255060 /nfs/dbraw/zinc/25/50/60/494255060.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000088687622 494255063 /nfs/dbraw/zinc/25/50/63/494255063.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 1 3 358.574 3.040 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2c2cccc(C)c2C)CC1 ZINC000089131715 494268905 /nfs/dbraw/zinc/26/89/05/494268905.db2.gz YVJYYCQPNVKZBP-NRFANRHFSA-N 1 3 357.542 3.431 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000072949900 494289046 /nfs/dbraw/zinc/28/90/46/494289046.db2.gz KDTXMPOUOUNKDP-MOPGFXCFSA-N 1 3 374.529 3.108 20 0 FGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533231 494363872 /nfs/dbraw/zinc/36/38/72/494363872.db2.gz OIWIAFUWDQAIGQ-QWHCGFSZSA-N 1 3 358.267 3.284 20 0 FGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533231 494363875 /nfs/dbraw/zinc/36/38/75/494363875.db2.gz OIWIAFUWDQAIGQ-QWHCGFSZSA-N 1 3 358.267 3.284 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000073494888 494379259 /nfs/dbraw/zinc/37/92/59/494379259.db2.gz LHURKLYFXPQWJD-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666610 494409504 /nfs/dbraw/zinc/40/95/04/494409504.db2.gz GKRMFKFRDVLNAP-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666610 494409508 /nfs/dbraw/zinc/40/95/08/494409508.db2.gz GKRMFKFRDVLNAP-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)N(Cc1cncc(C[N@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277820 505720546 /nfs/dbraw/zinc/72/05/46/505720546.db2.gz BEYQVRMQOKNKSG-SFTDATJTSA-N 1 3 361.530 3.080 20 0 FGADHO CC(C)N(Cc1cncc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277820 505720549 /nfs/dbraw/zinc/72/05/49/505720549.db2.gz BEYQVRMQOKNKSG-SFTDATJTSA-N 1 3 361.530 3.080 20 0 FGADHO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038536 494431280 /nfs/dbraw/zinc/43/12/80/494431280.db2.gz YAMNWZXMXCLZQS-NRFANRHFSA-N 1 3 353.510 3.089 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079310887 494435388 /nfs/dbraw/zinc/43/53/88/494435388.db2.gz JEZTURILJFONLJ-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000073930637 494450843 /nfs/dbraw/zinc/45/08/43/494450843.db2.gz KWXPUHKMGWNVAQ-IBGZPJMESA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(OCCN(C)C)c1 ZINC000090409435 494463129 /nfs/dbraw/zinc/46/31/29/494463129.db2.gz QJVKFBHGHCCGNZ-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@H](NCCOc1ccc(Cl)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000090409435 494463136 /nfs/dbraw/zinc/46/31/36/494463136.db2.gz QJVKFBHGHCCGNZ-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524574 494478318 /nfs/dbraw/zinc/47/83/18/494478318.db2.gz LRNDTDIBKYLQBI-ZCNNSNEGSA-N 1 3 374.525 3.266 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000090541739 494480497 /nfs/dbraw/zinc/48/04/97/494480497.db2.gz VPPQILBPVBFLST-ILZDJORESA-N 1 3 364.555 3.332 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000079569722 494484026 /nfs/dbraw/zinc/48/40/26/494484026.db2.gz FGFISHIUOCQUOZ-FQEVSTJZSA-N 1 3 360.546 3.051 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000079569722 494484032 /nfs/dbraw/zinc/48/40/32/494484032.db2.gz FGFISHIUOCQUOZ-FQEVSTJZSA-N 1 3 360.546 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000074398651 494529775 /nfs/dbraw/zinc/52/97/75/494529775.db2.gz FRGIXHWEWWIGHH-UHFFFAOYSA-N 1 3 357.498 3.489 20 0 FGADHO CCN1CCN(c2ccccc2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000074400379 494529999 /nfs/dbraw/zinc/52/99/99/494529999.db2.gz MDHVVRHEQLIFSI-SFHVURJKSA-N 1 3 358.530 3.032 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)NC1CCN(C2CC2)CC1 ZINC000056764326 494559547 /nfs/dbraw/zinc/55/95/47/494559547.db2.gz VVNSNDBDCPTFNQ-UHFFFAOYSA-N 1 3 370.541 3.463 20 0 FGADHO C[C@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000121083177 494587533 /nfs/dbraw/zinc/58/75/33/494587533.db2.gz ZDOKYPSUNMNQAS-SFHVURJKSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080114991 494602593 /nfs/dbraw/zinc/60/25/93/494602593.db2.gz YTUYTPDWXMVUKJ-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000107832856 494608374 /nfs/dbraw/zinc/60/83/74/494608374.db2.gz WFRIOZHCSZQRLL-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617930 /nfs/dbraw/zinc/61/79/30/494617930.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617933 /nfs/dbraw/zinc/61/79/33/494617933.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CCSc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000121315817 494696511 /nfs/dbraw/zinc/69/65/11/494696511.db2.gz AGUFIUYVIREREF-UHFFFAOYSA-N 1 3 361.555 3.087 20 0 FGADHO CNC(=O)c1ccc(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000121798033 494863110 /nfs/dbraw/zinc/86/31/10/494863110.db2.gz AECQGBBKXTZSMB-JOCHJYFZSA-N 1 3 351.494 3.191 20 0 FGADHO CNC(=O)c1ccc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000121798033 494863114 /nfs/dbraw/zinc/86/31/14/494863114.db2.gz AECQGBBKXTZSMB-JOCHJYFZSA-N 1 3 351.494 3.191 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121903081 494885843 /nfs/dbraw/zinc/88/58/43/494885843.db2.gz CGKASHYZHMBOBN-NRFANRHFSA-N 1 3 357.542 3.006 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734903 494915147 /nfs/dbraw/zinc/91/51/47/494915147.db2.gz LTBQGTRQJVVKSX-UHFFFAOYSA-N 1 3 368.525 3.462 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000093769475 494918619 /nfs/dbraw/zinc/91/86/19/494918619.db2.gz JPLXNCFQRIMZFF-UHFFFAOYSA-N 1 3 361.530 3.215 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000093769475 494918624 /nfs/dbraw/zinc/91/86/24/494918624.db2.gz JPLXNCFQRIMZFF-UHFFFAOYSA-N 1 3 361.530 3.215 20 0 FGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OC ZINC000132805490 494927019 /nfs/dbraw/zinc/92/70/19/494927019.db2.gz OUVIKBRVOCGGTB-IRXDYDNUSA-N 1 3 362.514 3.164 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097483 494968978 /nfs/dbraw/zinc/96/89/78/494968978.db2.gz MJCDXIOSRVLDTQ-CABCVRRESA-N 1 3 354.441 3.440 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000580417622 505755206 /nfs/dbraw/zinc/75/52/06/505755206.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000580417622 505755208 /nfs/dbraw/zinc/75/52/08/505755208.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 1 3 360.546 3.242 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119421475 495163600 /nfs/dbraw/zinc/16/36/00/495163600.db2.gz ZGIWLDGWUXWFFY-UONOGXRCSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119421475 495163603 /nfs/dbraw/zinc/16/36/03/495163603.db2.gz ZGIWLDGWUXWFFY-UONOGXRCSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@@H]1CN(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454197 495170432 /nfs/dbraw/zinc/17/04/32/495170432.db2.gz KRAFYAWRMAKVCL-HDICACEKSA-N 1 3 351.579 3.261 20 0 FGADHO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454197 495170435 /nfs/dbraw/zinc/17/04/35/495170435.db2.gz KRAFYAWRMAKVCL-HDICACEKSA-N 1 3 351.579 3.261 20 0 FGADHO CCn1nccc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000119465513 495172829 /nfs/dbraw/zinc/17/28/29/495172829.db2.gz GEDJAZAKWMFXQC-UHFFFAOYSA-N 1 3 356.514 3.064 20 0 FGADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119694986 495220431 /nfs/dbraw/zinc/22/04/31/495220431.db2.gz DGAFEDINOUWMMK-FPOVZHCZSA-N 1 3 351.494 3.057 20 0 FGADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119694986 495220434 /nfs/dbraw/zinc/22/04/34/495220434.db2.gz DGAFEDINOUWMMK-FPOVZHCZSA-N 1 3 351.494 3.057 20 0 FGADHO N[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000119698037 495221165 /nfs/dbraw/zinc/22/11/65/495221165.db2.gz DARDENMRTMXJHE-KBRMVUAJSA-N 1 3 363.505 3.388 20 0 FGADHO N[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000119698037 495221166 /nfs/dbraw/zinc/22/11/66/495221166.db2.gz DARDENMRTMXJHE-KBRMVUAJSA-N 1 3 363.505 3.388 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129655030 495276338 /nfs/dbraw/zinc/27/63/38/495276338.db2.gz AMOXHMJYDGNCHK-DLBZAZTESA-N 1 3 371.447 3.189 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Cl ZINC000129862390 495306372 /nfs/dbraw/zinc/30/63/72/495306372.db2.gz ZGMXIDFQQYVVTP-HNNXBMFYSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Cl ZINC000129862390 495306374 /nfs/dbraw/zinc/30/63/74/495306374.db2.gz ZGMXIDFQQYVVTP-HNNXBMFYSA-N 1 3 352.910 3.220 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124752782 495337903 /nfs/dbraw/zinc/33/79/03/495337903.db2.gz KXMRMGPBARMGSA-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000120690316 495435766 /nfs/dbraw/zinc/43/57/66/495435766.db2.gz WEURQIAJZZKTMJ-OAQYLSRUSA-N 1 3 368.525 3.308 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000125431926 495443042 /nfs/dbraw/zinc/44/30/42/495443042.db2.gz VZIHFVJXHJGCLG-GOSISDBHSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000125431926 495443046 /nfs/dbraw/zinc/44/30/46/495443046.db2.gz VZIHFVJXHJGCLG-GOSISDBHSA-N 1 3 355.526 3.371 20 0 FGADHO COc1cc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918056 495518743 /nfs/dbraw/zinc/51/87/43/495518743.db2.gz XWMOWYMUFPJKMD-KSSFIOAISA-N 1 3 370.559 3.116 20 0 FGADHO COc1cc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918481 495518815 /nfs/dbraw/zinc/51/88/15/495518815.db2.gz XWMOWYMUFPJKMD-KBXCAEBGSA-N 1 3 370.559 3.116 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154331960 495583247 /nfs/dbraw/zinc/58/32/47/495583247.db2.gz DEEKKMPLWJYAGJ-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154370435 495595889 /nfs/dbraw/zinc/59/58/89/495595889.db2.gz ZEPGHUZSUUCOLG-INIZCTEOSA-N 1 3 353.938 3.417 20 0 FGADHO CCCC[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814285 495612258 /nfs/dbraw/zinc/61/22/58/495612258.db2.gz BKZZVITVIFTYBP-YLJYHZDGSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555553 495613335 /nfs/dbraw/zinc/61/33/35/495613335.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555553 495613341 /nfs/dbraw/zinc/61/33/41/495613341.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000158945337 495621947 /nfs/dbraw/zinc/62/19/47/495621947.db2.gz UHBOWKXNMUUFEF-QAPCUYQASA-N 1 3 374.554 3.257 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000182591120 495627113 /nfs/dbraw/zinc/62/71/13/495627113.db2.gz FXIOUZSBRDOTGI-SFHVURJKSA-N 1 3 368.949 3.442 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000568858009 505794774 /nfs/dbraw/zinc/79/47/74/505794774.db2.gz YREKXBIURKFRAE-WAOWUJCRSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000568858009 505794777 /nfs/dbraw/zinc/79/47/77/505794777.db2.gz YREKXBIURKFRAE-WAOWUJCRSA-N 1 3 374.550 3.469 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000568862403 505795804 /nfs/dbraw/zinc/79/58/04/505795804.db2.gz MQKVEXPKCMMXOC-QFIPXVFZSA-N 1 3 351.494 3.031 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127359 495746361 /nfs/dbraw/zinc/74/63/61/495746361.db2.gz XEYQUTZCJKMYRF-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127359 495746366 /nfs/dbraw/zinc/74/63/66/495746366.db2.gz XEYQUTZCJKMYRF-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127359 495746370 /nfs/dbraw/zinc/74/63/70/495746370.db2.gz XEYQUTZCJKMYRF-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO CC(C)[NH2+]C1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000179835320 495753354 /nfs/dbraw/zinc/75/33/54/495753354.db2.gz MVZIIYBJOAGEMN-UHFFFAOYSA-N 1 3 358.574 3.179 20 0 FGADHO Fc1cc2cccnc2c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173946563 495757470 /nfs/dbraw/zinc/75/74/70/495757470.db2.gz CVVGWHXZSSRXAR-UHFFFAOYSA-N 1 3 357.473 3.451 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902254 /nfs/dbraw/zinc/90/22/54/495902254.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902260 /nfs/dbraw/zinc/90/22/60/495902260.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201316 495903666 /nfs/dbraw/zinc/90/36/66/495903666.db2.gz HLVRCDYJWVQJQF-VXKWHMMOSA-N 1 3 363.505 3.458 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906168 /nfs/dbraw/zinc/90/61/68/495906168.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906170 /nfs/dbraw/zinc/90/61/70/495906170.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 1 3 354.922 3.193 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581354 496002239 /nfs/dbraw/zinc/00/22/39/496002239.db2.gz CLVOWCZRANWIAB-CVEARBPZSA-N 1 3 355.473 3.273 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)N1CCCCC1 ZINC000580710554 505820251 /nfs/dbraw/zinc/82/02/51/505820251.db2.gz FEQNZPRSDJQXMY-UZKOGDIHSA-N 1 3 360.542 3.296 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000177559969 496112273 /nfs/dbraw/zinc/11/22/73/496112273.db2.gz TZGVYWSMPRBWOK-MISYRCLQSA-N 1 3 361.505 3.027 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365447 496128359 /nfs/dbraw/zinc/12/83/59/496128359.db2.gz VXUSMXZXWAEDBQ-RDJZCZTQSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365447 496128362 /nfs/dbraw/zinc/12/83/62/496128362.db2.gz VXUSMXZXWAEDBQ-RDJZCZTQSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC000161753615 496232159 /nfs/dbraw/zinc/23/21/59/496232159.db2.gz IOUZXHMRETYFPX-OAHLLOKOSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC000161753615 496232165 /nfs/dbraw/zinc/23/21/65/496232165.db2.gz IOUZXHMRETYFPX-OAHLLOKOSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(OCCN(C)C)cc1 ZINC000178204196 496368631 /nfs/dbraw/zinc/36/86/31/496368631.db2.gz YKAJVGRJIREWAM-KRWDZBQOSA-N 1 3 370.493 3.292 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538301 496369625 /nfs/dbraw/zinc/36/96/25/496369625.db2.gz YNQXPLVVSGUYDT-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178208449 496370052 /nfs/dbraw/zinc/37/00/52/496370052.db2.gz XTGHGGYICXQSJX-MRXNPFEDSA-N 1 3 356.466 3.249 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178289758 496399630 /nfs/dbraw/zinc/39/96/30/496399630.db2.gz INDGECGLOOWICG-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCCC1 ZINC000178411800 496446453 /nfs/dbraw/zinc/44/64/53/496446453.db2.gz ILDIFSRKDZNCFX-AWEZNQCLSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH+]1CCCC1 ZINC000178411800 496446457 /nfs/dbraw/zinc/44/64/57/496446457.db2.gz ILDIFSRKDZNCFX-AWEZNQCLSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC1 ZINC000178413827 496447074 /nfs/dbraw/zinc/44/70/74/496447074.db2.gz OTTRGKYVYDEIGB-MRXNPFEDSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000178413827 496447078 /nfs/dbraw/zinc/44/70/78/496447078.db2.gz OTTRGKYVYDEIGB-MRXNPFEDSA-N 1 3 351.922 3.153 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000157456756 496480524 /nfs/dbraw/zinc/48/05/24/496480524.db2.gz WOEIXVLNMRREFE-IBGZPJMESA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000157456756 496480532 /nfs/dbraw/zinc/48/05/32/496480532.db2.gz WOEIXVLNMRREFE-IBGZPJMESA-N 1 3 374.573 3.400 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662537 496491662 /nfs/dbraw/zinc/49/16/62/496491662.db2.gz DCFQTWXKEBKXHX-QZTJIDSGSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662537 496491665 /nfs/dbraw/zinc/49/16/65/496491665.db2.gz DCFQTWXKEBKXHX-QZTJIDSGSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699643 496505859 /nfs/dbraw/zinc/50/58/59/496505859.db2.gz XZQCOSYBRSZVNT-VQIMIIECSA-N 1 3 364.578 3.059 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCC2 ZINC000181707674 496510966 /nfs/dbraw/zinc/51/09/66/496510966.db2.gz JVPCDIOHDOFWLP-RTWAWAEBSA-N 1 3 358.526 3.081 20 0 FGADHO C[C@@H](CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000574757108 505848754 /nfs/dbraw/zinc/84/87/54/505848754.db2.gz PWVMUIHIBUJNHU-VHSSKADRSA-N 1 3 367.331 3.381 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000157698371 496533325 /nfs/dbraw/zinc/53/33/25/496533325.db2.gz MZQIGSBPSCXXRF-UHFFFAOYSA-N 1 3 372.557 3.026 20 0 FGADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178688775 496541738 /nfs/dbraw/zinc/54/17/38/496541738.db2.gz GXIRGBHHKMWQKD-RTWAWAEBSA-N 1 3 357.542 3.107 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2)CC1 ZINC000569095511 505851780 /nfs/dbraw/zinc/85/17/80/505851780.db2.gz RNMQRLNQESPGCA-NQIIRXRSSA-N 1 3 354.494 3.242 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000164549214 496618073 /nfs/dbraw/zinc/61/80/73/496618073.db2.gz LMKFPAKNWDYPEH-RTWAWAEBSA-N 1 3 357.542 3.373 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444777 496686933 /nfs/dbraw/zinc/68/69/33/496686933.db2.gz AMLNBXHDIKTKSJ-FBBABVLZSA-N 1 3 370.541 3.220 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444777 496686938 /nfs/dbraw/zinc/68/69/38/496686938.db2.gz AMLNBXHDIKTKSJ-FBBABVLZSA-N 1 3 370.541 3.220 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000158388849 496691499 /nfs/dbraw/zinc/69/14/99/496691499.db2.gz JIMHTPSFMVLGGK-SQWLQELKSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388849 496691504 /nfs/dbraw/zinc/69/15/04/496691504.db2.gz JIMHTPSFMVLGGK-SQWLQELKSA-N 1 3 367.921 3.304 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179248055 496720529 /nfs/dbraw/zinc/72/05/29/496720529.db2.gz VDXRYOPCOXFFSY-UHFFFAOYSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315384 496729368 /nfs/dbraw/zinc/72/93/68/496729368.db2.gz JMAGTROZTJCCEY-BGYRXZFFSA-N 1 3 360.542 3.415 20 0 FGADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191465355 496772164 /nfs/dbraw/zinc/77/21/64/496772164.db2.gz RJJPYFHNEBYVED-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191465355 496772170 /nfs/dbraw/zinc/77/21/70/496772170.db2.gz RJJPYFHNEBYVED-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000194957052 496774069 /nfs/dbraw/zinc/77/40/69/496774069.db2.gz NMFIGQMFXOCXHU-UGKGYDQZSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000194957052 496774075 /nfs/dbraw/zinc/77/40/75/496774075.db2.gz NMFIGQMFXOCXHU-UGKGYDQZSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782522 496783699 /nfs/dbraw/zinc/78/36/99/496783699.db2.gz UNHOCCAWRWDCBU-OXQOHEQNSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782522 496783701 /nfs/dbraw/zinc/78/37/01/496783701.db2.gz UNHOCCAWRWDCBU-OXQOHEQNSA-N 1 3 352.482 3.177 20 0 FGADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c(C)n1 ZINC000268804096 496790607 /nfs/dbraw/zinc/79/06/07/496790607.db2.gz LORASQAIQJWHMK-SFHVURJKSA-N 1 3 367.541 3.346 20 0 FGADHO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000191595030 496825007 /nfs/dbraw/zinc/82/50/07/496825007.db2.gz NOFRHDFYHKUACR-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1SC(F)F ZINC000268984079 496842825 /nfs/dbraw/zinc/84/28/25/496842825.db2.gz LAHKXNSLHKBUND-GFCCVEGCSA-N 1 3 360.470 3.117 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000247402449 496852534 /nfs/dbraw/zinc/85/25/34/496852534.db2.gz XMJLPUOTAWLATB-MSOLQXFVSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000247402449 496852537 /nfs/dbraw/zinc/85/25/37/496852537.db2.gz XMJLPUOTAWLATB-MSOLQXFVSA-N 1 3 360.546 3.099 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000248074720 496952695 /nfs/dbraw/zinc/95/26/95/496952695.db2.gz QXKCZTLTOSSMTP-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248146950 496963332 /nfs/dbraw/zinc/96/33/32/496963332.db2.gz QHWSHYALYNUSKE-MAUKXSAKSA-N 1 3 355.482 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248146950 496963336 /nfs/dbraw/zinc/96/33/36/496963336.db2.gz QHWSHYALYNUSKE-MAUKXSAKSA-N 1 3 355.482 3.051 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248409240 497001468 /nfs/dbraw/zinc/00/14/68/497001468.db2.gz FVVMZCTVRZRYIV-ZOGZYCIHSA-N 1 3 366.553 3.468 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H](O)Cc1ccccc1 ZINC000248418789 497004742 /nfs/dbraw/zinc/00/47/42/497004742.db2.gz TZHZAYOXYRPJRU-GPDNFFQDSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](O)Cc1ccccc1 ZINC000248418789 497004745 /nfs/dbraw/zinc/00/47/45/497004745.db2.gz TZHZAYOXYRPJRU-GPDNFFQDSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](O)Cc1ccccc1 ZINC000248418789 497004748 /nfs/dbraw/zinc/00/47/48/497004748.db2.gz TZHZAYOXYRPJRU-GPDNFFQDSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@@H](NCCOCC[NH+](C)C)c1cc2cc(Br)ccc2o1 ZINC000219310378 497008507 /nfs/dbraw/zinc/00/85/07/497008507.db2.gz PCQKJWJHQAUASJ-GFCCVEGCSA-N 1 3 355.276 3.424 20 0 FGADHO Cc1cnccc1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000269941121 497029352 /nfs/dbraw/zinc/02/93/52/497029352.db2.gz FMRUZXMUGTUFAO-UHFFFAOYSA-N 1 3 352.526 3.253 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584268 497048679 /nfs/dbraw/zinc/04/86/79/497048679.db2.gz PMHBHDDFSJMMFT-XYJFISCASA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584268 497048685 /nfs/dbraw/zinc/04/86/85/497048685.db2.gz PMHBHDDFSJMMFT-XYJFISCASA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000248584268 497048689 /nfs/dbraw/zinc/04/86/89/497048689.db2.gz PMHBHDDFSJMMFT-XYJFISCASA-N 1 3 366.933 3.322 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248589935 497049974 /nfs/dbraw/zinc/04/99/74/497049974.db2.gz ZAOOYBFBWIMFTH-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248589935 497049975 /nfs/dbraw/zinc/04/99/75/497049975.db2.gz ZAOOYBFBWIMFTH-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248589935 497049977 /nfs/dbraw/zinc/04/99/77/497049977.db2.gz ZAOOYBFBWIMFTH-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO COc1cccc2c1CC[C@@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)C2 ZINC000192443711 497116542 /nfs/dbraw/zinc/11/65/42/497116542.db2.gz CZKDONIZDKFKHL-HXUWFJFHSA-N 1 3 371.569 3.092 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@@H](N)c1ccccc1 ZINC000236628923 497123438 /nfs/dbraw/zinc/12/34/38/497123438.db2.gz UOYRAHYRBUROBF-SFHLNBCPSA-N 1 3 357.542 3.293 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236630185 497123738 /nfs/dbraw/zinc/12/37/38/497123738.db2.gz BXVDCKKWQXPGJI-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000270515582 497143267 /nfs/dbraw/zinc/14/32/67/497143267.db2.gz YICTVFLLQVCHRT-OAHLLOKOSA-N 1 3 373.722 3.136 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537122 497147021 /nfs/dbraw/zinc/14/70/21/497147021.db2.gz WMIYBJXEAOZCCP-GFCCVEGCSA-N 1 3 359.345 3.252 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000265704778 497164398 /nfs/dbraw/zinc/16/43/98/497164398.db2.gz AKLCGSKPTKZZNO-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)NC1CCCC1 ZINC000249301420 497190416 /nfs/dbraw/zinc/19/04/16/497190416.db2.gz NPWWMEZTFYWNIN-OEWRPIJISA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)NC1CCCC1 ZINC000249301420 497190423 /nfs/dbraw/zinc/19/04/23/497190423.db2.gz NPWWMEZTFYWNIN-OEWRPIJISA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC000192715120 497193797 /nfs/dbraw/zinc/19/37/97/497193797.db2.gz VYQXWKPGXDAELS-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC000192715120 497193803 /nfs/dbraw/zinc/19/38/03/497193803.db2.gz VYQXWKPGXDAELS-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1OC ZINC000192786395 497214081 /nfs/dbraw/zinc/21/40/81/497214081.db2.gz ZTKOROHVRXIAOF-GOSISDBHSA-N 1 3 363.546 3.079 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237400744 497230667 /nfs/dbraw/zinc/23/06/67/497230667.db2.gz OTOWIBJWGYMCCI-RBUKOAKNSA-N 1 3 357.542 3.101 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237599625 497261557 /nfs/dbraw/zinc/26/15/57/497261557.db2.gz HSQJXUNTFFYPGV-GOSISDBHSA-N 1 3 357.542 3.101 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2s1 ZINC000572123022 505895309 /nfs/dbraw/zinc/89/53/09/505895309.db2.gz ZTFSSPFLAOOTQQ-UHFFFAOYSA-N 1 3 353.919 3.120 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(Cn2cncn2)CC1 ZINC000189975460 497310968 /nfs/dbraw/zinc/31/09/68/497310968.db2.gz PPTNDIGJZPCQCB-UHFFFAOYSA-N 1 3 355.530 3.148 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(Cn2cncn2)CC1 ZINC000189975460 497310970 /nfs/dbraw/zinc/31/09/70/497310970.db2.gz PPTNDIGJZPCQCB-UHFFFAOYSA-N 1 3 355.530 3.148 20 0 FGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237968480 497321303 /nfs/dbraw/zinc/32/13/03/497321303.db2.gz RAJSUEHUAKSNKV-IHPCNDPISA-N 1 3 373.566 3.137 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444280 497351234 /nfs/dbraw/zinc/35/12/34/497351234.db2.gz CSYMODACVFMGMF-VAMGGRTRSA-N 1 3 356.510 3.400 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275725321 497414826 /nfs/dbraw/zinc/41/48/26/497414826.db2.gz WOINCEDMPZZKEX-HXUWFJFHSA-N 1 3 366.509 3.187 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000271707731 497424613 /nfs/dbraw/zinc/42/46/13/497424613.db2.gz MIYVOUFUZRJQBP-OAQYLSRUSA-N 1 3 369.484 3.358 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578304803 505910689 /nfs/dbraw/zinc/91/06/89/505910689.db2.gz QTMUYNBIQZCANG-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578304803 505910690 /nfs/dbraw/zinc/91/06/90/505910690.db2.gz QTMUYNBIQZCANG-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378330 497546870 /nfs/dbraw/zinc/54/68/70/497546870.db2.gz MRIOSSFNYYZOPT-GUYCJALGSA-N 1 3 371.447 3.060 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272150348 497549168 /nfs/dbraw/zinc/54/91/68/497549168.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272150348 497549173 /nfs/dbraw/zinc/54/91/73/497549173.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO Cc1c([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cnn1C(C)C ZINC000276444263 497575631 /nfs/dbraw/zinc/57/56/31/497575631.db2.gz YKDYFPMUEQAEAF-GOSISDBHSA-N 1 3 370.545 3.030 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000245943174 497579832 /nfs/dbraw/zinc/57/98/32/497579832.db2.gz VHJBIWGSUCDNBN-VTYHHJSWSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677350 497597707 /nfs/dbraw/zinc/59/77/07/497597707.db2.gz UNQGDWOERATGLM-UWJYYQICSA-N 1 3 365.521 3.276 20 0 FGADHO COc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1C ZINC000194211829 497603424 /nfs/dbraw/zinc/60/34/24/497603424.db2.gz MMUWODZFBOKNRV-UHFFFAOYSA-N 1 3 353.510 3.041 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289204 497624967 /nfs/dbraw/zinc/62/49/67/497624967.db2.gz PDCYPXPVUCKARV-GOSISDBHSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289204 497624970 /nfs/dbraw/zinc/62/49/70/497624970.db2.gz PDCYPXPVUCKARV-GOSISDBHSA-N 1 3 357.502 3.048 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000581162975 505923809 /nfs/dbraw/zinc/92/38/09/505923809.db2.gz HXSXUTGORYJMAT-YYWHXJBOSA-N 1 3 359.558 3.334 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000581162975 505923813 /nfs/dbraw/zinc/92/38/13/505923813.db2.gz HXSXUTGORYJMAT-YYWHXJBOSA-N 1 3 359.558 3.334 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC000263173540 497723758 /nfs/dbraw/zinc/72/37/58/497723758.db2.gz GAOHCAHYCPELCV-JWUVWSEFSA-N 1 3 357.542 3.406 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444621 497735811 /nfs/dbraw/zinc/73/58/11/497735811.db2.gz OUAQAIAZYQUKQE-KCZVDYSFSA-N 1 3 358.574 3.250 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000246500475 497754549 /nfs/dbraw/zinc/75/45/49/497754549.db2.gz TZELNWWDHFQUAI-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000246500475 497754551 /nfs/dbraw/zinc/75/45/51/497754551.db2.gz TZELNWWDHFQUAI-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246509057 497757964 /nfs/dbraw/zinc/75/79/64/497757964.db2.gz TZGVYWSMPRBWOK-YSIASYRMSA-N 1 3 361.505 3.027 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000246512592 497759163 /nfs/dbraw/zinc/75/91/63/497759163.db2.gz INKQQJSJXVOLSY-OAHAVBBTSA-N 1 3 364.578 3.011 20 0 FGADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000194771626 497765719 /nfs/dbraw/zinc/76/57/19/497765719.db2.gz QMCTZGVWTMHWSY-UHFFFAOYSA-N 1 3 371.525 3.364 20 0 FGADHO CN1CCCN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246849573 497816234 /nfs/dbraw/zinc/81/62/34/497816234.db2.gz BKBYWWBPYUHEEX-SFHVURJKSA-N 1 3 371.447 3.190 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246867184 497817643 /nfs/dbraw/zinc/81/76/43/497817643.db2.gz HCIRGHFFAGRKNX-SIKLNZKXSA-N 1 3 371.569 3.130 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246867184 497817644 /nfs/dbraw/zinc/81/76/44/497817644.db2.gz HCIRGHFFAGRKNX-SIKLNZKXSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900632 497819365 /nfs/dbraw/zinc/81/93/65/497819365.db2.gz FVNMYRJWFJZMAX-IAGOWNOFSA-N 1 3 352.544 3.395 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900632 497819366 /nfs/dbraw/zinc/81/93/66/497819366.db2.gz FVNMYRJWFJZMAX-IAGOWNOFSA-N 1 3 352.544 3.395 20 0 FGADHO CC1(C)[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000284535835 497823087 /nfs/dbraw/zinc/82/30/87/497823087.db2.gz XGDJVGDXNZKZLI-UIFIKXQLSA-N 1 3 358.526 3.323 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162027 498038816 /nfs/dbraw/zinc/03/88/16/498038816.db2.gz HFYKCTIQPLCEQC-QFIPXVFZSA-N 1 3 368.500 3.209 20 0 FGADHO Brc1ccn2cc(CNCC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000289403207 498133616 /nfs/dbraw/zinc/13/36/16/498133616.db2.gz ALRPKIPLDBLVAF-UHFFFAOYSA-N 1 3 363.303 3.061 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000364964703 498229830 /nfs/dbraw/zinc/22/98/30/498229830.db2.gz ZKSOAMGPGABDPM-UHFFFAOYSA-N 1 3 358.526 3.225 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000289734485 498270241 /nfs/dbraw/zinc/27/02/41/498270241.db2.gz IDODQPTWGGFTDP-HWKANZROSA-N 1 3 373.516 3.153 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289771711 498285880 /nfs/dbraw/zinc/28/58/80/498285880.db2.gz RISRGRGWXSCEOU-WOJBJXKFSA-N 1 3 370.493 3.204 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000578803235 506024017 /nfs/dbraw/zinc/02/40/17/506024017.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 1 3 358.574 3.037 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000578803235 506024019 /nfs/dbraw/zinc/02/40/19/506024019.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 1 3 358.574 3.037 20 0 FGADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601906 506025476 /nfs/dbraw/zinc/02/54/76/506025476.db2.gz WZXSNVVTEPZVHU-FYYLOGMGSA-N 1 3 374.488 3.260 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454366 498391184 /nfs/dbraw/zinc/39/11/84/498391184.db2.gz PRAOQOVVRBTMOI-GOSISDBHSA-N 1 3 365.521 3.487 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454366 498391192 /nfs/dbraw/zinc/39/11/92/498391192.db2.gz PRAOQOVVRBTMOI-GOSISDBHSA-N 1 3 365.521 3.487 20 0 FGADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000297356824 498418795 /nfs/dbraw/zinc/41/87/95/498418795.db2.gz FLDXAGLZDCOLTA-RXVVDRJESA-N 1 3 350.510 3.303 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730579 498423530 /nfs/dbraw/zinc/42/35/30/498423530.db2.gz YMYJKHVFOZLKNP-UYAOXDASSA-N 1 3 357.542 3.041 20 0 FGADHO Cc1csc(=O)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282540173 498551030 /nfs/dbraw/zinc/55/10/30/498551030.db2.gz RJNGQNKCUYNXQP-SFHVURJKSA-N 1 3 359.539 3.109 20 0 FGADHO Cc1csc(=O)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282540173 498551036 /nfs/dbraw/zinc/55/10/36/498551036.db2.gz RJNGQNKCUYNXQP-SFHVURJKSA-N 1 3 359.539 3.109 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000576002615 506053522 /nfs/dbraw/zinc/05/35/22/506053522.db2.gz ZWURVFBCTYRJHE-CTNGQTDRSA-N 1 3 361.574 3.125 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000576009285 506055502 /nfs/dbraw/zinc/05/55/02/506055502.db2.gz CZRZESDSXRJMAC-HXUWFJFHSA-N 1 3 355.526 3.196 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827009 498657049 /nfs/dbraw/zinc/65/70/49/498657049.db2.gz RJHJCQYPBJTOPC-WOZUAGRISA-N 1 3 356.510 3.457 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827009 498657055 /nfs/dbraw/zinc/65/70/55/498657055.db2.gz RJHJCQYPBJTOPC-WOZUAGRISA-N 1 3 356.510 3.457 20 0 FGADHO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000287199776 498670403 /nfs/dbraw/zinc/67/04/03/498670403.db2.gz GEPWMGQKBMMDMF-ZWKOTPCHSA-N 1 3 374.529 3.026 20 0 FGADHO CC1CCN(c2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cn2)CC1 ZINC000298237929 498706349 /nfs/dbraw/zinc/70/63/49/498706349.db2.gz BXRCROMUZWSDCA-UHFFFAOYSA-N 1 3 365.525 3.472 20 0 FGADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091762 506088106 /nfs/dbraw/zinc/08/81/06/506088106.db2.gz IGSSFQUEBHHNSA-IRLDBZIGSA-N 1 3 371.569 3.274 20 0 FGADHO CC(C)c1nc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccn21 ZINC000570098651 506090091 /nfs/dbraw/zinc/09/00/91/506090091.db2.gz FPKWJRSWVDYAGV-LJQANCHMSA-N 1 3 369.557 3.058 20 0 FGADHO CC1(c2ccccc2)CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000581938479 506095209 /nfs/dbraw/zinc/09/52/09/506095209.db2.gz CGWAJXDQPVYORE-UHFFFAOYSA-N 1 3 353.514 3.262 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087916 506091356 /nfs/dbraw/zinc/09/13/56/506091356.db2.gz GJWYZSICFPERMB-WBVHZDCISA-N 1 3 370.440 3.015 20 0 FGADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CN1CCCC1 ZINC000320698300 498809280 /nfs/dbraw/zinc/80/92/80/498809280.db2.gz HVJRKOXHELPCKW-DZGCQCFKSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259254 498846252 /nfs/dbraw/zinc/84/62/52/498846252.db2.gz NGQNIAOAVVXTJH-MNEFBYGVSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259254 498846254 /nfs/dbraw/zinc/84/62/54/498846254.db2.gz NGQNIAOAVVXTJH-MNEFBYGVSA-N 1 3 363.933 3.293 20 0 FGADHO COC[C@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115220 498914315 /nfs/dbraw/zinc/91/43/15/498914315.db2.gz VWBSNOGPCLPJOP-IRXDYDNUSA-N 1 3 366.933 3.277 20 0 FGADHO COC[C@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115220 498914322 /nfs/dbraw/zinc/91/43/22/498914322.db2.gz VWBSNOGPCLPJOP-IRXDYDNUSA-N 1 3 366.933 3.277 20 0 FGADHO N[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416765 498917105 /nfs/dbraw/zinc/91/71/05/498917105.db2.gz ZHCYYFCKSLWJBD-PZJWPPBQSA-N 1 3 351.494 3.105 20 0 FGADHO N[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416765 498917108 /nfs/dbraw/zinc/91/71/08/498917108.db2.gz ZHCYYFCKSLWJBD-PZJWPPBQSA-N 1 3 351.494 3.105 20 0 FGADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OCc1cccnc1 ZINC000295125228 498918790 /nfs/dbraw/zinc/91/87/90/498918790.db2.gz XVGIJPIVJKXGPQ-IHWFROFDSA-N 1 3 367.493 3.384 20 0 FGADHO Cc1cc(CN2CCC(OCCC[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000570211776 506116260 /nfs/dbraw/zinc/11/62/60/506116260.db2.gz NBQONDJGQFKOSD-UHFFFAOYSA-N 1 3 374.916 3.435 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](C)c3ccccc3)CC2)CC1 ZINC000576289729 506122604 /nfs/dbraw/zinc/12/26/04/506122604.db2.gz NJPXOMVHZRFZIW-IBGZPJMESA-N 1 3 371.569 3.493 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000288365018 499004913 /nfs/dbraw/zinc/00/49/13/499004913.db2.gz KXHDZZBNJCLAJM-HZPDHXFCSA-N 1 3 355.482 3.193 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293453 506135175 /nfs/dbraw/zinc/13/51/75/506135175.db2.gz LILBDDBTISXPDA-DZGCQCFKSA-N 1 3 369.431 3.170 20 0 FGADHO CCc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000367059951 499141676 /nfs/dbraw/zinc/14/16/76/499141676.db2.gz MQGVCHRUUFRDKU-UWJYYQICSA-N 1 3 352.526 3.259 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071757 499143613 /nfs/dbraw/zinc/14/36/13/499143613.db2.gz CLPDRQPWJHGOLU-OFNKIYASSA-N 1 3 371.569 3.226 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071757 499143615 /nfs/dbraw/zinc/14/36/15/499143615.db2.gz CLPDRQPWJHGOLU-OFNKIYASSA-N 1 3 371.569 3.226 20 0 FGADHO C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000367433343 499198376 /nfs/dbraw/zinc/19/83/76/499198376.db2.gz WABNLKKAUWDTND-UHFFFAOYSA-N 1 3 354.498 3.152 20 0 FGADHO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000367433343 499198377 /nfs/dbraw/zinc/19/83/77/499198377.db2.gz WABNLKKAUWDTND-UHFFFAOYSA-N 1 3 354.498 3.152 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615371 499235664 /nfs/dbraw/zinc/23/56/64/499235664.db2.gz CDRUWTPRRQXFFL-RCOXNQKVSA-N 1 3 364.505 3.382 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615371 499235665 /nfs/dbraw/zinc/23/56/65/499235665.db2.gz CDRUWTPRRQXFFL-RCOXNQKVSA-N 1 3 364.505 3.382 20 0 FGADHO C[C@H](NCc1ccc(-n2ccnc2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000370669664 499242467 /nfs/dbraw/zinc/24/24/67/499242467.db2.gz OZMHTADMAHWNTD-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O2 ZINC000368363061 499288877 /nfs/dbraw/zinc/28/88/77/499288877.db2.gz QZSURHYWBFMROE-AZUAARDMSA-N 1 3 374.525 3.007 20 0 FGADHO CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453743 499297613 /nfs/dbraw/zinc/29/76/13/499297613.db2.gz MJTSUHQGXQXPFH-UTKZUKDTSA-N 1 3 351.494 3.443 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242692 499301744 /nfs/dbraw/zinc/30/17/44/499301744.db2.gz HKILLKJBQWLIJE-PZJWPPBQSA-N 1 3 373.516 3.028 20 0 FGADHO C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000371338034 499312371 /nfs/dbraw/zinc/31/23/71/499312371.db2.gz YAGGZVRWCFPFFX-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000371338034 499312372 /nfs/dbraw/zinc/31/23/72/499312372.db2.gz YAGGZVRWCFPFFX-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO CC(C)Oc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000371824854 499368960 /nfs/dbraw/zinc/36/89/60/499368960.db2.gz YRHQYDZZSJLKPT-UHFFFAOYSA-N 1 3 359.558 3.323 20 0 FGADHO CC(=O)Nc1ccccc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000371900546 499376722 /nfs/dbraw/zinc/37/67/22/499376722.db2.gz ZPOTZIMOPRVJME-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO CC(=O)Nc1ccccc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000371900546 499376723 /nfs/dbraw/zinc/37/67/23/499376723.db2.gz ZPOTZIMOPRVJME-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369768402 499441788 /nfs/dbraw/zinc/44/17/88/499441788.db2.gz WOGPSPILIFCTEG-YJBOKZPZSA-N 1 3 355.448 3.163 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369768402 499441789 /nfs/dbraw/zinc/44/17/89/499441789.db2.gz WOGPSPILIFCTEG-YJBOKZPZSA-N 1 3 355.448 3.163 20 0 FGADHO O=C(C1CCN(C2CC2)CC1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000373333745 499463793 /nfs/dbraw/zinc/46/37/93/499463793.db2.gz RIYGMIAOXZXOBQ-UHFFFAOYSA-N 1 3 353.510 3.046 20 0 FGADHO CN1CCC(N2CC[C@@H]([N@H+](C)CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214359 499496219 /nfs/dbraw/zinc/49/62/19/499496219.db2.gz FPRZJJTXRVPUMA-LEOMRAHMSA-N 1 3 361.496 3.455 20 0 FGADHO CN1CCC(N2CC[C@@H]([N@@H+](C)CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214359 499496221 /nfs/dbraw/zinc/49/62/21/499496221.db2.gz FPRZJJTXRVPUMA-LEOMRAHMSA-N 1 3 361.496 3.455 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000378415479 499514259 /nfs/dbraw/zinc/51/42/59/499514259.db2.gz GWGRQIKJTMDBNV-TZIWHRDSSA-N 1 3 370.541 3.021 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000378415479 499514260 /nfs/dbraw/zinc/51/42/60/499514260.db2.gz GWGRQIKJTMDBNV-TZIWHRDSSA-N 1 3 370.541 3.021 20 0 FGADHO C[N@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2ccncc2)CC1 ZINC000378540077 499529642 /nfs/dbraw/zinc/52/96/42/499529642.db2.gz PAQULLWJFFRRFT-HXUWFJFHSA-N 1 3 361.436 3.242 20 0 FGADHO C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2ccncc2)CC1 ZINC000378540077 499529643 /nfs/dbraw/zinc/52/96/43/499529643.db2.gz PAQULLWJFFRRFT-HXUWFJFHSA-N 1 3 361.436 3.242 20 0 FGADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375745511 499550993 /nfs/dbraw/zinc/55/09/93/499550993.db2.gz QVKLHDFKRWJENV-VHRCFOOQSA-N 1 3 355.526 3.127 20 0 FGADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375745511 499550995 /nfs/dbraw/zinc/55/09/95/499550995.db2.gz QVKLHDFKRWJENV-VHRCFOOQSA-N 1 3 355.526 3.127 20 0 FGADHO OC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000397491181 499563968 /nfs/dbraw/zinc/56/39/68/499563968.db2.gz JGWQTVKGHIVQPC-OAQYLSRUSA-N 1 3 354.469 3.430 20 0 FGADHO OC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)CC1 ZINC000397702946 499564795 /nfs/dbraw/zinc/56/47/95/499564795.db2.gz VXVLWFZXRPCANO-NRFANRHFSA-N 1 3 370.924 3.424 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960965 499565776 /nfs/dbraw/zinc/56/57/76/499565776.db2.gz DZJHZXCAJIWAQY-WPYKKVEZSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960965 499565777 /nfs/dbraw/zinc/56/57/77/499565777.db2.gz DZJHZXCAJIWAQY-WPYKKVEZSA-N 1 3 368.521 3.235 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccncc1-c1cccnc1 ZINC000376713863 499631180 /nfs/dbraw/zinc/63/11/80/499631180.db2.gz AMXXHDOETVZWBL-NRFANRHFSA-N 1 3 374.488 3.134 20 0 FGADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1ccncc1-c1cccnc1 ZINC000376713863 499631182 /nfs/dbraw/zinc/63/11/82/499631182.db2.gz AMXXHDOETVZWBL-NRFANRHFSA-N 1 3 374.488 3.134 20 0 FGADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377398939 499687091 /nfs/dbraw/zinc/68/70/91/499687091.db2.gz BQOASQOUMNFQQB-YLJYHZDGSA-N 1 3 354.498 3.233 20 0 FGADHO COc1cc(F)c(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1OC ZINC000579362086 506156039 /nfs/dbraw/zinc/15/60/39/506156039.db2.gz MVTPWHWMKNLNIF-UHFFFAOYSA-N 1 3 359.445 3.244 20 0 FGADHO COC(=O)[C@@H]1CC12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411273028 499720260 /nfs/dbraw/zinc/72/02/60/499720260.db2.gz BWHNIEAXAFFUIB-FQEVSTJZSA-N 1 3 356.510 3.448 20 0 FGADHO c1cc(CN2CCC(O[C@@H]3CCOC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411324468 499726107 /nfs/dbraw/zinc/72/61/07/499726107.db2.gz FTAPURNSVQPMFP-JOCHJYFZSA-N 1 3 358.526 3.442 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2ccccc2c1 ZINC000414202607 499768144 /nfs/dbraw/zinc/76/81/44/499768144.db2.gz UKPQQWWIXHEVNF-IBGZPJMESA-N 1 3 367.537 3.287 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414200242 499768176 /nfs/dbraw/zinc/76/81/76/499768176.db2.gz RPCZUDAKDSODAM-NQIIRXRSSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000414286104 499774499 /nfs/dbraw/zinc/77/44/99/499774499.db2.gz ITCDLNYRSATSLX-QFBILLFUSA-N 1 3 360.473 3.193 20 0 FGADHO CCC1CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414332999 499778615 /nfs/dbraw/zinc/77/86/15/499778615.db2.gz VNWRJBTZLMKTLX-UHFFFAOYSA-N 1 3 357.542 3.442 20 0 FGADHO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336539 499779107 /nfs/dbraw/zinc/77/91/07/499779107.db2.gz ZNFOINQDPLTCGA-NHCUHLMSSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000414531779 499803818 /nfs/dbraw/zinc/80/38/18/499803818.db2.gz ZXOKTUXUPQCBIY-FQEVSTJZSA-N 1 3 352.522 3.482 20 0 FGADHO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697769 499821046 /nfs/dbraw/zinc/82/10/46/499821046.db2.gz QJGXBAKVFDWCFS-BEFAXECRSA-N 1 3 351.922 3.166 20 0 FGADHO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697769 499821047 /nfs/dbraw/zinc/82/10/47/499821047.db2.gz QJGXBAKVFDWCFS-BEFAXECRSA-N 1 3 351.922 3.166 20 0 FGADHO Clc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784251 499830816 /nfs/dbraw/zinc/83/08/16/499830816.db2.gz RAVSTQVAOUFKPT-CVEARBPZSA-N 1 3 350.890 3.323 20 0 FGADHO Clc1ccc(OC2CCCC2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414787628 499831392 /nfs/dbraw/zinc/83/13/92/499831392.db2.gz ZOBFEBWCXSCJQE-UHFFFAOYSA-N 1 3 351.922 3.046 20 0 FGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Br)c(Br)c1 ZINC000414795718 499832209 /nfs/dbraw/zinc/83/22/09/499832209.db2.gz HAAKFNVPLQQYAN-MFKMUULPSA-N 1 3 362.109 3.429 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414826125 499835059 /nfs/dbraw/zinc/83/50/59/499835059.db2.gz IONOAUQZGSOIBJ-OAHLLOKOSA-N 1 3 366.347 3.003 20 0 FGADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](C)C[NH3+])cc1 ZINC000414882357 499841023 /nfs/dbraw/zinc/84/10/23/499841023.db2.gz UDGVXLJETZFTKR-QGZVFWFLSA-N 1 3 364.493 3.291 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950349 499847940 /nfs/dbraw/zinc/84/79/40/499847940.db2.gz OMGRCVYXRRFFON-YRGRVCCFSA-N 1 3 359.392 3.032 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414950349 499847941 /nfs/dbraw/zinc/84/79/41/499847941.db2.gz OMGRCVYXRRFFON-YRGRVCCFSA-N 1 3 359.392 3.032 20 0 FGADHO COc1cc(Br)c(CNCCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000414972068 499850179 /nfs/dbraw/zinc/85/01/79/499850179.db2.gz LVOHNXRKHXQJAD-LBPRGKRZSA-N 1 3 357.292 3.088 20 0 FGADHO Brc1ccc(-c2c[nH]c(CNCCC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000414979565 499850996 /nfs/dbraw/zinc/85/09/96/499850996.db2.gz VMWOYCVRNXQKTA-HNNXBMFYSA-N 1 3 363.303 3.461 20 0 FGADHO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1CN(C)C ZINC000412411461 499852380 /nfs/dbraw/zinc/85/23/80/499852380.db2.gz BOTXCJOKSCTSNK-IBGZPJMESA-N 1 3 361.555 3.213 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414994701 499852603 /nfs/dbraw/zinc/85/26/03/499852603.db2.gz MLPGCQRRUQNDJA-AAEUAGOBSA-N 1 3 357.292 3.073 20 0 FGADHO CC(C)N1CCc2nc(CN[C@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048883 499858154 /nfs/dbraw/zinc/85/81/54/499858154.db2.gz GKOLJUTXGQURLU-QGZVFWFLSA-N 1 3 358.555 3.479 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127275 499867298 /nfs/dbraw/zinc/86/72/98/499867298.db2.gz QTGXHFANUCJVCG-NVXWUHKLSA-N 1 3 358.404 3.304 20 0 FGADHO CCCOc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415129387 499867838 /nfs/dbraw/zinc/86/78/38/499867838.db2.gz PIPFELILCXSJHN-GHTZIAJQSA-N 1 3 362.514 3.202 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415587990 499904101 /nfs/dbraw/zinc/90/41/01/499904101.db2.gz ZLETVYVBADCFLV-FQEVSTJZSA-N 1 3 354.498 3.392 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000415887364 499924715 /nfs/dbraw/zinc/92/47/15/499924715.db2.gz XEKRBHFVNYHSRJ-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000415910888 499927407 /nfs/dbraw/zinc/92/74/07/499927407.db2.gz CKVSLFMZNBGXCB-WOJBJXKFSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000415923606 499929192 /nfs/dbraw/zinc/92/91/92/499929192.db2.gz WUOPSDRQCXMSID-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000415958732 499933621 /nfs/dbraw/zinc/93/36/21/499933621.db2.gz RHTJIMCKXSUKOA-UHFFFAOYSA-N 1 3 360.527 3.453 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000415966378 499934662 /nfs/dbraw/zinc/93/46/62/499934662.db2.gz GLIUUOQXCIBIAA-QWHCGFSZSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000415966378 499934663 /nfs/dbraw/zinc/93/46/63/499934663.db2.gz GLIUUOQXCIBIAA-QWHCGFSZSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415977596 499936522 /nfs/dbraw/zinc/93/65/22/499936522.db2.gz WTQZPBIGTBLAPX-LBPRGKRZSA-N 1 3 358.408 3.018 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000416022459 499941967 /nfs/dbraw/zinc/94/19/67/499941967.db2.gz ZBBIYIYSAGJNMB-NRFANRHFSA-N 1 3 366.509 3.364 20 0 FGADHO CN1CC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000416177571 499969903 /nfs/dbraw/zinc/96/99/03/499969903.db2.gz GEHNQAVOBFLFDH-KCZVDYSFSA-N 1 3 351.494 3.241 20 0 FGADHO CC(CN1CCOC[C@@H](C2CCC2)C1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029964 499988118 /nfs/dbraw/zinc/98/81/18/499988118.db2.gz QPEGIVTUIYSHAG-VXKWHMMOSA-N 1 3 364.574 3.120 20 0 FGADHO CC(CN1CCOC[C@@H](C2CCC2)C1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029964 499988119 /nfs/dbraw/zinc/98/81/19/499988119.db2.gz QPEGIVTUIYSHAG-VXKWHMMOSA-N 1 3 364.574 3.120 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208680 500005776 /nfs/dbraw/zinc/00/57/76/500005776.db2.gz BIVFUJDQLMPUCJ-PZJWPPBQSA-N 1 3 372.557 3.230 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208604 500005989 /nfs/dbraw/zinc/00/59/89/500005989.db2.gz BESBSOVHTODFLI-CTNGQTDRSA-N 1 3 372.557 3.149 20 0 FGADHO C[NH+](C)C1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000421372175 500030310 /nfs/dbraw/zinc/03/03/10/500030310.db2.gz KOOIWQVQWGQOFN-UHFFFAOYSA-N 1 3 351.292 3.059 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C\c3ccc(F)cc3F)CC2)CC1 ZINC000421374089 500031724 /nfs/dbraw/zinc/03/17/24/500031724.db2.gz NHQCLEDVRLAIAO-HYXAFXHYSA-N 1 3 363.496 3.470 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000417310809 500036738 /nfs/dbraw/zinc/03/67/38/500036738.db2.gz KXTPGIIZJBLONF-NJYVYQBISA-N 1 3 372.557 3.161 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417336432 500043754 /nfs/dbraw/zinc/04/37/54/500043754.db2.gz VLEHLWWJTPZFCA-NRFANRHFSA-N 1 3 372.557 3.203 20 0 FGADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1cccs1 ZINC000576509022 506175215 /nfs/dbraw/zinc/17/52/15/506175215.db2.gz OEYPCHUTRYCNMI-IBGZPJMESA-N 1 3 360.523 3.011 20 0 FGADHO C[N@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CCCC1 ZINC000417505789 500092495 /nfs/dbraw/zinc/09/24/95/500092495.db2.gz KQPKBRHGOYNKIV-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CCCC1 ZINC000417505789 500092497 /nfs/dbraw/zinc/09/24/97/500092497.db2.gz KQPKBRHGOYNKIV-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO CC(C)(C)N1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485339 500120336 /nfs/dbraw/zinc/12/03/36/500120336.db2.gz TVZVEGKCUWWUKH-HXUWFJFHSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417690766 500149609 /nfs/dbraw/zinc/14/96/09/500149609.db2.gz LRPFDIWMAKDHMU-PXNSSMCTSA-N 1 3 360.546 3.227 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417734327 500159425 /nfs/dbraw/zinc/15/94/25/500159425.db2.gz KAXQTWPTNVHKNX-NUJGCVRESA-N 1 3 366.575 3.146 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417752046 500163755 /nfs/dbraw/zinc/16/37/55/500163755.db2.gz QGJXIRUASFFKOA-FQEVSTJZSA-N 1 3 360.546 3.231 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000416999176 500180349 /nfs/dbraw/zinc/18/03/49/500180349.db2.gz BPZLTXPQXZJJSE-WFFDWFOESA-N 1 3 364.559 3.055 20 0 FGADHO C[C@@H](NC(=O)N[C@H](CN)c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857883 500185211 /nfs/dbraw/zinc/18/52/11/500185211.db2.gz OUZKOOVVEUHGNF-DNVCBOLYSA-N 1 3 356.514 3.115 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034854 500217777 /nfs/dbraw/zinc/21/77/77/500217777.db2.gz OXEBRPBRFZUDSF-JKWVGCSGSA-N 1 3 372.557 3.067 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000418037019 500218069 /nfs/dbraw/zinc/21/80/69/500218069.db2.gz QOBXKJVXSBXNAL-NRFANRHFSA-N 1 3 374.573 3.174 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418156875 500238849 /nfs/dbraw/zinc/23/88/49/500238849.db2.gz NUDDEDGIHRBRJJ-ZCNNSNEGSA-N 1 3 372.557 3.104 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163600 500240386 /nfs/dbraw/zinc/24/03/86/500240386.db2.gz DRMJMVYGZVQVAT-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185659 500245011 /nfs/dbraw/zinc/24/50/11/500245011.db2.gz RBHCLVAFZWSMTL-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418188995 500245734 /nfs/dbraw/zinc/24/57/34/500245734.db2.gz GXZTYCJVUVYLQW-HKBOAZHASA-N 1 3 372.557 3.024 20 0 FGADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC000418190826 500246334 /nfs/dbraw/zinc/24/63/34/500246334.db2.gz JSBWUOOKJVIIKZ-TZIWHRDSSA-N 1 3 374.573 3.129 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C ZINC000418193320 500246671 /nfs/dbraw/zinc/24/66/71/500246671.db2.gz ZIHWHGLNJQGYER-QUCCMNQESA-N 1 3 372.557 3.161 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000573407240 506188455 /nfs/dbraw/zinc/18/84/55/506188455.db2.gz INORBAOQJZKIEN-DENIHFKCSA-N 1 3 370.585 3.276 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH2+]C)C2)N(CC)CC)cc1 ZINC000418209807 500249660 /nfs/dbraw/zinc/24/96/60/500249660.db2.gz FXBCVFFLNVRLMT-CTNGQTDRSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)N(CC)CC)cc1 ZINC000418212251 500250322 /nfs/dbraw/zinc/25/03/22/500250322.db2.gz JIYCGPZQJHPICY-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418308490 500260529 /nfs/dbraw/zinc/26/05/29/500260529.db2.gz BTNCTBOGGKXYQN-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321790 500261934 /nfs/dbraw/zinc/26/19/34/500261934.db2.gz CQOAGGMKEMQPHB-SFTDATJTSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418347585 500265780 /nfs/dbraw/zinc/26/57/80/500265780.db2.gz IOCVLFDHMLUDAX-LEWJYISDSA-N 1 3 372.557 3.470 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352012 500266994 /nfs/dbraw/zinc/26/69/94/500266994.db2.gz MBNMBNHGHBJAIF-XLIONFOSSA-N 1 3 360.546 3.183 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352012 500266995 /nfs/dbraw/zinc/26/69/95/500266995.db2.gz MBNMBNHGHBJAIF-XLIONFOSSA-N 1 3 360.546 3.183 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418427860 500275396 /nfs/dbraw/zinc/27/53/96/500275396.db2.gz OHENAQLYYLGELV-HKBOAZHASA-N 1 3 372.557 3.058 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418549645 500290688 /nfs/dbraw/zinc/29/06/88/500290688.db2.gz GCOIJUQMPMAQMK-UHFFFAOYSA-N 1 3 366.509 3.083 20 0 FGADHO C[N@H+](Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727681 500290727 /nfs/dbraw/zinc/29/07/27/500290727.db2.gz DBUWVZOKMZWEHW-DHIUTWEWSA-N 1 3 371.569 3.308 20 0 FGADHO C[N@@H+](Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727681 500290728 /nfs/dbraw/zinc/29/07/28/500290728.db2.gz DBUWVZOKMZWEHW-DHIUTWEWSA-N 1 3 371.569 3.308 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727631 500290912 /nfs/dbraw/zinc/29/09/12/500290912.db2.gz HQPYJPOMQZAHJQ-RYQLBKOJSA-N 1 3 355.448 3.387 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727631 500290914 /nfs/dbraw/zinc/29/09/14/500290914.db2.gz HQPYJPOMQZAHJQ-RYQLBKOJSA-N 1 3 355.448 3.387 20 0 FGADHO COc1ccc(OC)c(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766550 500295192 /nfs/dbraw/zinc/29/51/92/500295192.db2.gz RVJVMDXUWAQJHT-KNQAVFIVSA-N 1 3 368.477 3.092 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760336 500295450 /nfs/dbraw/zinc/29/54/50/500295450.db2.gz LVGLBPWIGAXSFA-MBDNFAEBSA-N 1 3 357.542 3.342 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cnccc3N)CC2)cc1 ZINC000422782882 500297125 /nfs/dbraw/zinc/29/71/25/500297125.db2.gz NPLBVCGITZWQHM-MRXNPFEDSA-N 1 3 354.498 3.066 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809221 500300690 /nfs/dbraw/zinc/30/06/90/500300690.db2.gz RKBFLRSUIUNQIZ-QWFCFKBJSA-N 1 3 357.523 3.196 20 0 FGADHO COc1ccc([C@@H](NCc2cccc(CN(C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422810071 500301254 /nfs/dbraw/zinc/30/12/54/500301254.db2.gz RBUOIMHLMLDVRP-FCHUYYIVSA-N 1 3 353.510 3.340 20 0 FGADHO CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812787 500301330 /nfs/dbraw/zinc/30/13/30/500301330.db2.gz QXVIWQXXVDSRDT-VPZZIHKRSA-N 1 3 368.481 3.370 20 0 FGADHO COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422850814 500305511 /nfs/dbraw/zinc/30/55/11/500305511.db2.gz ODKAYPFCEKSDDG-RDJZCZTQSA-N 1 3 354.498 3.034 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422856859 500306758 /nfs/dbraw/zinc/30/67/58/500306758.db2.gz GSVABUCIDXZLFA-HSQYWUDLSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866108 500307448 /nfs/dbraw/zinc/30/74/48/500307448.db2.gz PUQGUCNCEHROKY-YPIGPJMWSA-N 1 3 370.585 3.098 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875702 500308572 /nfs/dbraw/zinc/30/85/72/500308572.db2.gz CWTIKAVQRXCPJR-UONOGXRCSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875702 500308577 /nfs/dbraw/zinc/30/85/77/500308577.db2.gz CWTIKAVQRXCPJR-UONOGXRCSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H](CCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418693164 500308705 /nfs/dbraw/zinc/30/87/05/500308705.db2.gz STAWUKLPRRSZEQ-IBGZPJMESA-N 1 3 372.557 3.344 20 0 FGADHO COc1cc(OC)c(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884269 500310369 /nfs/dbraw/zinc/31/03/69/500310369.db2.gz DQVCAVQOAQCVHT-HZPDHXFCSA-N 1 3 350.503 3.155 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885425 500310571 /nfs/dbraw/zinc/31/05/71/500310571.db2.gz YPAPWUFRCIROPE-RHSMWYFYSA-N 1 3 367.331 3.214 20 0 FGADHO COc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890081 500311769 /nfs/dbraw/zinc/31/17/69/500311769.db2.gz RCDQKLUTSLKTEO-NJDAHSKKSA-N 1 3 358.526 3.254 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)CC1 ZINC000422927668 500317706 /nfs/dbraw/zinc/31/77/06/500317706.db2.gz ZNLFWXXMPWSSDK-AUSIDOKSSA-N 1 3 366.553 3.195 20 0 FGADHO COc1ccc(CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426787499 500320913 /nfs/dbraw/zinc/32/09/13/500320913.db2.gz FGLPDSQHJZGPHZ-OALUTQOASA-N 1 3 360.542 3.449 20 0 FGADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422989561 500327681 /nfs/dbraw/zinc/32/76/81/500327681.db2.gz LSBKXESYYMEZMD-BZUAXINKSA-N 1 3 357.420 3.380 20 0 FGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423009322 500330161 /nfs/dbraw/zinc/33/01/61/500330161.db2.gz CPWOFYGWTAXPJA-FGTMMUONSA-N 1 3 352.906 3.028 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889248 500333420 /nfs/dbraw/zinc/33/34/20/500333420.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889248 500333422 /nfs/dbraw/zinc/33/34/22/500333422.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2c(Cl)cccc2C1 ZINC000423062277 500337592 /nfs/dbraw/zinc/33/75/92/500337592.db2.gz SUCULUOWKFJOSN-IIBYNOLFSA-N 1 3 357.929 3.246 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071248 500338522 /nfs/dbraw/zinc/33/85/22/500338522.db2.gz HOQYUOLCSNTJOS-ZBINZKHDSA-N 1 3 356.297 3.359 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341446 /nfs/dbraw/zinc/34/14/46/500341446.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341448 /nfs/dbraw/zinc/34/14/48/500341448.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 1 3 367.537 3.128 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112955 500343785 /nfs/dbraw/zinc/34/37/85/500343785.db2.gz SYNSPIBYKWKORW-BZUAXINKSA-N 1 3 363.468 3.220 20 0 FGADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1OC ZINC000423128500 500345710 /nfs/dbraw/zinc/34/57/10/500345710.db2.gz DECXXNZOAFHFMK-WMLDXEAASA-N 1 3 362.901 3.448 20 0 FGADHO Clc1ccc2c(c1Cl)OCCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423174367 500351411 /nfs/dbraw/zinc/35/14/11/500351411.db2.gz AOKJHLRKRADDJX-OAHLLOKOSA-N 1 3 358.313 3.092 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccsc1 ZINC000423325740 500364994 /nfs/dbraw/zinc/36/49/94/500364994.db2.gz LLYFJWDKRWONML-IBGZPJMESA-N 1 3 359.539 3.323 20 0 FGADHO CC[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCc2ccccc2C1 ZINC000423336798 500365314 /nfs/dbraw/zinc/36/53/14/500365314.db2.gz VDIORTDBBYNOAF-KKSFZXQISA-N 1 3 351.494 3.273 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000423356493 500366932 /nfs/dbraw/zinc/36/69/32/500366932.db2.gz JYPIZLSPXGYVFX-HOTGVXAUSA-N 1 3 357.523 3.410 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000423374734 500368427 /nfs/dbraw/zinc/36/84/27/500368427.db2.gz IHGVXEFZTYHTRN-QGZVFWFLSA-N 1 3 353.510 3.308 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392422 500369534 /nfs/dbraw/zinc/36/95/34/500369534.db2.gz QLGGCNPQMUWOMT-RISCZKNCSA-N 1 3 369.353 3.192 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423409060 500371687 /nfs/dbraw/zinc/37/16/87/500371687.db2.gz BHNLUVZRXNKTOU-XGHQBKJUSA-N 1 3 351.494 3.347 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542713 506191819 /nfs/dbraw/zinc/19/18/19/506191819.db2.gz XDKBAJCZOZDOLX-QGZVFWFLSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542713 506191824 /nfs/dbraw/zinc/19/18/24/506191824.db2.gz XDKBAJCZOZDOLX-QGZVFWFLSA-N 1 3 371.485 3.442 20 0 FGADHO CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427288519 500377981 /nfs/dbraw/zinc/37/79/81/500377981.db2.gz PVKSPORJSFDMQV-QKNQBKEWSA-N 1 3 357.542 3.450 20 0 FGADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423481935 500378118 /nfs/dbraw/zinc/37/81/18/500378118.db2.gz XDGYXNYCUDYPPJ-NWUDTAHTSA-N 1 3 362.489 3.086 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000423855234 500412433 /nfs/dbraw/zinc/41/24/33/500412433.db2.gz VNBZODCLEHIRLY-CVEARBPZSA-N 1 3 352.482 3.057 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431864530 500436422 /nfs/dbraw/zinc/43/64/22/500436422.db2.gz JVXOYJAZIWEIBK-IBGZPJMESA-N 1 3 359.539 3.331 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000420305323 500437183 /nfs/dbraw/zinc/43/71/83/500437183.db2.gz PLFMAMMNSXKLGC-JBACZVJFSA-N 1 3 356.535 3.032 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000420305323 500437186 /nfs/dbraw/zinc/43/71/86/500437186.db2.gz PLFMAMMNSXKLGC-JBACZVJFSA-N 1 3 356.535 3.032 20 0 FGADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000420305323 500437189 /nfs/dbraw/zinc/43/71/89/500437189.db2.gz PLFMAMMNSXKLGC-JBACZVJFSA-N 1 3 356.535 3.032 20 0 FGADHO Brc1cccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420308802 500438194 /nfs/dbraw/zinc/43/81/94/500438194.db2.gz DGYSZJWQKWPSRW-OAHLLOKOSA-N 1 3 353.304 3.149 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323699 500441904 /nfs/dbraw/zinc/44/19/04/500441904.db2.gz GTRKEDXINFFDQM-HZPDHXFCSA-N 1 3 356.466 3.431 20 0 FGADHO Brc1ccccc1OCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332751 500443398 /nfs/dbraw/zinc/44/33/98/500443398.db2.gz SHWYTTIWRBSKMY-GJZGRUSLSA-N 1 3 353.304 3.149 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000420386077 500452373 /nfs/dbraw/zinc/45/23/73/500452373.db2.gz UPIYPUHWQYYRLD-YADHBBJMSA-N 1 3 354.494 3.437 20 0 FGADHO CC(C)c1ccc([C@H](C)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411139 500457528 /nfs/dbraw/zinc/45/75/28/500457528.db2.gz XFJYUQMEDIBUQO-ZLGUVYLKSA-N 1 3 370.541 3.091 20 0 FGADHO [NH3+]CC1(CC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCCC1 ZINC000424218811 500470805 /nfs/dbraw/zinc/47/08/05/500470805.db2.gz XFUNPIGAJPRUAE-VQTJNVASSA-N 1 3 355.526 3.019 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146364 500474191 /nfs/dbraw/zinc/47/41/91/500474191.db2.gz OHNGXOFVUJLHTD-GHTZIAJQSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272402 500479728 /nfs/dbraw/zinc/47/97/28/500479728.db2.gz UCPRCYKHJCEATD-HKUYNNGSSA-N 1 3 358.555 3.043 20 0 FGADHO COc1ccc(Br)cc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292890 500482541 /nfs/dbraw/zinc/48/25/41/500482541.db2.gz OPGXMEQYTPJRKH-CYBMUJFWSA-N 1 3 353.304 3.422 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000424432047 500504555 /nfs/dbraw/zinc/50/45/55/500504555.db2.gz HDLLPKNLBQQKKL-LJQANCHMSA-N 1 3 352.482 3.240 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546462 /nfs/dbraw/zinc/54/64/62/500546462.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546466 /nfs/dbraw/zinc/54/64/66/500546466.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606373 506204151 /nfs/dbraw/zinc/20/41/51/506204151.db2.gz MVTZJJRROQKWQJ-OAQYLSRUSA-N 1 3 369.557 3.233 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606373 506204155 /nfs/dbraw/zinc/20/41/55/506204155.db2.gz MVTZJJRROQKWQJ-OAQYLSRUSA-N 1 3 369.557 3.233 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(C[NH+](C)C)c3)cccc21 ZINC000447724905 500653868 /nfs/dbraw/zinc/65/38/68/500653868.db2.gz ZDLLPQIVNVUSRT-LJQANCHMSA-N 1 3 353.466 3.386 20 0 FGADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000433783832 500743746 /nfs/dbraw/zinc/74/37/46/500743746.db2.gz SKOBASCLCXQEQH-FQEVSTJZSA-N 1 3 363.933 3.370 20 0 FGADHO CN1CCC(C[NH2+]CCCCOc2ccccc2)(N2CCCCC2)CC1 ZINC000438192596 500752817 /nfs/dbraw/zinc/75/28/17/500752817.db2.gz SQLRCQZHZFHORE-UHFFFAOYSA-N 1 3 359.558 3.386 20 0 FGADHO C[C@@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678817 500754737 /nfs/dbraw/zinc/75/47/37/500754737.db2.gz DIZWNERTNDYYSU-UYAOXDASSA-N 1 3 374.573 3.269 20 0 FGADHO COc1ccc(CNCC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000443980708 500786654 /nfs/dbraw/zinc/78/66/54/500786654.db2.gz RXEUHMMBIQCUCC-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438564682 500802348 /nfs/dbraw/zinc/80/23/48/500802348.db2.gz WFFCCNRSPNCNEH-JOCHJYFZSA-N 1 3 369.553 3.483 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438564682 500802351 /nfs/dbraw/zinc/80/23/51/500802351.db2.gz WFFCCNRSPNCNEH-JOCHJYFZSA-N 1 3 369.553 3.483 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(-c2ccccc2F)s1 ZINC000449222335 500951121 /nfs/dbraw/zinc/95/11/21/500951121.db2.gz LYKZLUWQUXIOJJ-AWEZNQCLSA-N 1 3 351.491 3.396 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCCCS(C)(=O)=O)CC1 ZINC000449258806 500959438 /nfs/dbraw/zinc/95/94/38/500959438.db2.gz RFECEJWTSMLEAP-UHFFFAOYSA-N 1 3 360.608 3.470 20 0 FGADHO C[NH2+]CC1CCN(Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000435377746 500962796 /nfs/dbraw/zinc/96/27/96/500962796.db2.gz ALIJEONJDJFITJ-UHFFFAOYSA-N 1 3 367.493 3.379 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379596 500963702 /nfs/dbraw/zinc/96/37/02/500963702.db2.gz JUNDVIRGXCUBEE-XUVXKRRUSA-N 1 3 367.493 3.228 20 0 FGADHO COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383340 500964693 /nfs/dbraw/zinc/96/46/93/500964693.db2.gz GQESNHIBCQHBKZ-ZCNNSNEGSA-N 1 3 367.493 3.228 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387660 500965841 /nfs/dbraw/zinc/96/58/41/500965841.db2.gz AYEUMGCDEYNJDG-DUXKGJEZSA-N 1 3 359.477 3.103 20 0 FGADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000440098113 500974522 /nfs/dbraw/zinc/97/45/22/500974522.db2.gz DSLAVULAKBRGSM-JOCHJYFZSA-N 1 3 369.553 3.422 20 0 FGADHO CCCOc1c(OC)cc(CCNC2CC[NH+](C(C)C)CC2)cc1OC ZINC000449485207 501014437 /nfs/dbraw/zinc/01/44/37/501014437.db2.gz LERRJUQHVSIYKC-UHFFFAOYSA-N 1 3 364.530 3.498 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@@H]2CC[N@@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548437 501030244 /nfs/dbraw/zinc/03/02/44/501030244.db2.gz NHYRWEMDCXTTIW-IKGGRYGDSA-N 1 3 372.463 3.360 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@@H]2CC[N@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548437 501030246 /nfs/dbraw/zinc/03/02/46/501030246.db2.gz NHYRWEMDCXTTIW-IKGGRYGDSA-N 1 3 372.463 3.360 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597310 501040401 /nfs/dbraw/zinc/04/04/01/501040401.db2.gz ZAHFJNXIZSXHQZ-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597310 501040404 /nfs/dbraw/zinc/04/04/04/501040404.db2.gz ZAHFJNXIZSXHQZ-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4sc5c(c43)CCCC5)C2)CC1 ZINC000602613697 506231266 /nfs/dbraw/zinc/23/12/66/506231266.db2.gz PHBBUNHQHBFNFS-AWEZNQCLSA-N 1 3 371.554 3.151 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446136625 501080094 /nfs/dbraw/zinc/08/00/94/501080094.db2.gz KCPHNEJYEFTACJ-LJQANCHMSA-N 1 3 360.546 3.195 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777817 501084165 /nfs/dbraw/zinc/08/41/65/501084165.db2.gz VPFUFXYIHBIGMK-RSPOEFSDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777817 501084168 /nfs/dbraw/zinc/08/41/68/501084168.db2.gz VPFUFXYIHBIGMK-RSPOEFSDSA-N 1 3 360.546 3.273 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000446756476 501161554 /nfs/dbraw/zinc/16/15/54/501161554.db2.gz IYYPDSIYXMHRFM-NRFANRHFSA-N 1 3 355.530 3.430 20 0 FGADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453077057 501263949 /nfs/dbraw/zinc/26/39/49/501263949.db2.gz VYYQYZNLCGTBRO-YTFSRNRJSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453083721 501265046 /nfs/dbraw/zinc/26/50/46/501265046.db2.gz GHGYGSOKLWPCGD-CWJKEVGVSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453083721 501265048 /nfs/dbraw/zinc/26/50/48/501265048.db2.gz GHGYGSOKLWPCGD-CWJKEVGVSA-N 1 3 355.526 3.030 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110747 501271709 /nfs/dbraw/zinc/27/17/09/501271709.db2.gz OIMCPZDARSPLHT-FGZHOGPDSA-N 1 3 369.553 3.442 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453234859 501295430 /nfs/dbraw/zinc/29/54/30/501295430.db2.gz XECXJBMXLVESJT-CEMLEFRQSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453234859 501295434 /nfs/dbraw/zinc/29/54/34/501295434.db2.gz XECXJBMXLVESJT-CEMLEFRQSA-N 1 3 350.510 3.360 20 0 FGADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453250326 501299457 /nfs/dbraw/zinc/29/94/57/501299457.db2.gz HCZURQDIIOKPCM-DXBBTUNJSA-N 1 3 360.542 3.054 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000457775099 501306395 /nfs/dbraw/zinc/30/63/95/501306395.db2.gz MVQIPLMEDVKWDG-UHFFFAOYSA-N 1 3 374.554 3.083 20 0 FGADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453316728 501313780 /nfs/dbraw/zinc/31/37/80/501313780.db2.gz JXRDZWHOIQOYDD-GNJRFXKQSA-N 1 3 372.553 3.318 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N(C)C)cc1 ZINC000611671304 506250906 /nfs/dbraw/zinc/25/09/06/506250906.db2.gz UWGLMAYPNHDYHO-FQEVSTJZSA-N 1 3 362.562 3.081 20 0 FGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025218 501421108 /nfs/dbraw/zinc/42/11/08/501421108.db2.gz QRNOLDBKCAKFTL-OKZBNKHCSA-N 1 3 355.448 3.091 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982404 501431690 /nfs/dbraw/zinc/43/16/90/501431690.db2.gz LOOQSEOHEVTPLO-HXUWFJFHSA-N 1 3 369.513 3.115 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982404 501431694 /nfs/dbraw/zinc/43/16/94/501431694.db2.gz LOOQSEOHEVTPLO-HXUWFJFHSA-N 1 3 369.513 3.115 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458449826 501446532 /nfs/dbraw/zinc/44/65/32/501446532.db2.gz YVVUVBOEWPWSAP-GOSISDBHSA-N 1 3 366.575 3.086 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458449826 501446534 /nfs/dbraw/zinc/44/65/34/501446534.db2.gz YVVUVBOEWPWSAP-GOSISDBHSA-N 1 3 366.575 3.086 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464585 /nfs/dbraw/zinc/46/45/85/501464585.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464586 /nfs/dbraw/zinc/46/45/86/501464586.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000458984355 501571437 /nfs/dbraw/zinc/57/14/37/501571437.db2.gz WUOACKAMEIYGFG-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1CN(Cc2ccccc2C[NH2+]C2CCN(C3CC3)CC2)C[C@H](C)O1 ZINC000459387483 501644210 /nfs/dbraw/zinc/64/42/10/501644210.db2.gz JRJXZOUNKDAOJI-ROUUACIJSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@H]1CN(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000459387483 501644213 /nfs/dbraw/zinc/64/42/13/501644213.db2.gz JRJXZOUNKDAOJI-ROUUACIJSA-N 1 3 357.542 3.012 20 0 FGADHO c1ccc(C[N@H+]2CC[C@@H](N3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411275 501649231 /nfs/dbraw/zinc/64/92/31/501649231.db2.gz OCLNOMVKRRZBED-HSZRJFAPSA-N 1 3 371.569 3.085 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411275 501649233 /nfs/dbraw/zinc/64/92/33/501649233.db2.gz OCLNOMVKRRZBED-HSZRJFAPSA-N 1 3 371.569 3.085 20 0 FGADHO O=C1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1ccccc1Cl ZINC000459412378 501649361 /nfs/dbraw/zinc/64/93/61/501649361.db2.gz KJVXXNKAGMJRPW-INIZCTEOSA-N 1 3 370.884 3.099 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457518252 501715283 /nfs/dbraw/zinc/71/52/83/501715283.db2.gz DJZZYQBYUSNOAJ-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1 ZINC000457536327 501718481 /nfs/dbraw/zinc/71/84/81/501718481.db2.gz VIAYPAJCHXIQLB-FQEVSTJZSA-N 1 3 360.546 3.153 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)CC3(C[NH3+])CCCCC3)c(C)c2)CC1 ZINC000463488410 501739241 /nfs/dbraw/zinc/73/92/41/501739241.db2.gz CXFMWFAKFVYORE-UHFFFAOYSA-N 1 3 372.557 3.375 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470741377 501788287 /nfs/dbraw/zinc/78/82/87/501788287.db2.gz WLHKZHAWMFKPSW-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470752964 501791328 /nfs/dbraw/zinc/79/13/28/501791328.db2.gz CLADIQDKBFFPNA-NRFANRHFSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854475 501810805 /nfs/dbraw/zinc/81/08/05/501810805.db2.gz BKUHBGXNHFYBKU-IEBWSBKVSA-N 1 3 367.493 3.083 20 0 FGADHO CCS[C@@H]1CCCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385785 501811174 /nfs/dbraw/zinc/81/11/74/501811174.db2.gz GCWSVTBCFSEHOF-MOPGFXCFSA-N 1 3 363.571 3.013 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477927254 501831227 /nfs/dbraw/zinc/83/12/27/501831227.db2.gz AEOLOMANOUYZOZ-FQEVSTJZSA-N 1 3 355.530 3.430 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477927254 501831234 /nfs/dbraw/zinc/83/12/34/501831234.db2.gz AEOLOMANOUYZOZ-FQEVSTJZSA-N 1 3 355.530 3.430 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000485484011 501834385 /nfs/dbraw/zinc/83/43/85/501834385.db2.gz ZJLTVSFPNAHASK-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700772 501848122 /nfs/dbraw/zinc/84/81/22/501848122.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700772 501848127 /nfs/dbraw/zinc/84/81/27/501848127.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 1 3 369.553 3.420 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccnn3C(C)C)CC2)c1 ZINC000474497947 501856817 /nfs/dbraw/zinc/85/68/17/501856817.db2.gz ZLXZAXVPFKFECG-UHFFFAOYSA-N 1 3 369.557 3.464 20 0 FGADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000478200862 501908224 /nfs/dbraw/zinc/90/82/24/501908224.db2.gz UISUOAJTNISONG-KRWDZBQOSA-N 1 3 368.525 3.165 20 0 FGADHO C[NH+](C)CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000468024234 501933279 /nfs/dbraw/zinc/93/32/79/501933279.db2.gz JJDQRDMUJWGLFE-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO COc1ccc(-c2ccncc2)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000482012184 501947233 /nfs/dbraw/zinc/94/72/33/501947233.db2.gz UGBNRSPWQSXHLT-UHFFFAOYSA-N 1 3 369.509 3.300 20 0 FGADHO c1ccc(C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000482107216 501977560 /nfs/dbraw/zinc/97/75/60/501977560.db2.gz DGEUYUGPNVUOAQ-QHCPKHFHSA-N 1 3 364.537 3.205 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000485910713 501984879 /nfs/dbraw/zinc/98/48/79/501984879.db2.gz XRQWYCGKNDKLIK-BHDDXSALSA-N 1 3 369.553 3.245 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000482166541 501995941 /nfs/dbraw/zinc/99/59/41/501995941.db2.gz CIALQVJPUUKVMU-UHFFFAOYSA-N 1 3 371.569 3.045 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000482237777 502016544 /nfs/dbraw/zinc/01/65/44/502016544.db2.gz KRVACCFQBPHQTD-PKOBYXMFSA-N 1 3 362.514 3.075 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475098626 502057281 /nfs/dbraw/zinc/05/72/81/502057281.db2.gz TZPNJRXJOSOZKB-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475100681 502058957 /nfs/dbraw/zinc/05/89/57/502058957.db2.gz KACXEBGRGSCLHO-VQTJNVASSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000475112912 502064089 /nfs/dbraw/zinc/06/40/89/502064089.db2.gz UMSUEHHVDHZTML-ROUUACIJSA-N 1 3 364.578 3.346 20 0 FGADHO CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475155551 502084339 /nfs/dbraw/zinc/08/43/39/502084339.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475155551 502084344 /nfs/dbraw/zinc/08/43/44/502084344.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cc(NC(=O)CC2CCN(C)CC2)ccc1OCC[NH+]1CCCC1 ZINC000486380089 502138058 /nfs/dbraw/zinc/13/80/58/502138058.db2.gz OHIXBBYYBCHQFD-UHFFFAOYSA-N 1 3 359.514 3.140 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479049549 502147008 /nfs/dbraw/zinc/14/70/08/502147008.db2.gz GWRFKBBQBYOQJH-UXHICEINSA-N 1 3 357.473 3.067 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@H](COC)C2)CC1 ZINC000468695609 502150528 /nfs/dbraw/zinc/15/05/28/502150528.db2.gz GQJPWPKHHZWTIA-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCC[C@H](COC)C2)CC1 ZINC000468695609 502150534 /nfs/dbraw/zinc/15/05/34/502150534.db2.gz GQJPWPKHHZWTIA-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156054 /nfs/dbraw/zinc/15/60/54/502156054.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156060 /nfs/dbraw/zinc/15/60/60/502156060.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 1 3 372.557 3.099 20 0 FGADHO [NH3+]C[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1 ZINC000479192828 502189706 /nfs/dbraw/zinc/18/97/06/502189706.db2.gz JYFPLNRXUWKDOA-FQEVSTJZSA-N 1 3 355.457 3.493 20 0 FGADHO [NH3+]C[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227241 502198811 /nfs/dbraw/zinc/19/88/11/502198811.db2.gz SZALSALCEHLMRZ-RTWAWAEBSA-N 1 3 369.484 3.039 20 0 FGADHO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000472150682 502249398 /nfs/dbraw/zinc/24/93/98/502249398.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 1 3 360.542 3.149 20 0 FGADHO CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000472150682 502249399 /nfs/dbraw/zinc/24/93/99/502249399.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 1 3 360.542 3.149 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236800 502280625 /nfs/dbraw/zinc/28/06/25/502280625.db2.gz CBQSQZADOYCYNR-RXVVDRJESA-N 1 3 357.542 3.103 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236798 502280935 /nfs/dbraw/zinc/28/09/35/502280935.db2.gz CBQSQZADOYCYNR-GHTZIAJQSA-N 1 3 357.542 3.103 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147811 502291428 /nfs/dbraw/zinc/29/14/28/502291428.db2.gz SKFXCADURBXPJE-NQIIRXRSSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147811 502291431 /nfs/dbraw/zinc/29/14/31/502291431.db2.gz SKFXCADURBXPJE-NQIIRXRSSA-N 1 3 356.514 3.099 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534701 502294808 /nfs/dbraw/zinc/29/48/08/502294808.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534701 502294811 /nfs/dbraw/zinc/29/48/11/502294811.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006374 502329225 /nfs/dbraw/zinc/32/92/25/502329225.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006374 502329231 /nfs/dbraw/zinc/32/92/31/502329231.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)N(C)C)cc1 ZINC000483513097 502416812 /nfs/dbraw/zinc/41/68/12/502416812.db2.gz BGNYTCRBNQEHQL-WMQCIHAUSA-N 1 3 374.573 3.366 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)N(C)C)cc1 ZINC000483513097 502416816 /nfs/dbraw/zinc/41/68/16/502416816.db2.gz BGNYTCRBNQEHQL-WMQCIHAUSA-N 1 3 374.573 3.366 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928077 502430426 /nfs/dbraw/zinc/43/04/26/502430426.db2.gz QWLVAEJMWKDDDY-NRFANRHFSA-N 1 3 372.557 3.346 20 0 FGADHO Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191338 502496982 /nfs/dbraw/zinc/49/69/82/502496982.db2.gz OHFPYUPCYSNKRQ-KGLIPLIRSA-N 1 3 365.424 3.036 20 0 FGADHO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCCN1CC)[NH+]1CCCC1 ZINC000476481362 502501012 /nfs/dbraw/zinc/50/10/12/502501012.db2.gz BODOURAOCDYODV-MOPGFXCFSA-N 1 3 352.567 3.061 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)(N2CCCCC2)CC1 ZINC000466342457 502541714 /nfs/dbraw/zinc/54/17/14/502541714.db2.gz DNPBELQURVFIOX-NJDAHSKKSA-N 1 3 363.590 3.122 20 0 FGADHO CCCCN(CC)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469783974 502544821 /nfs/dbraw/zinc/54/48/21/502544821.db2.gz SRLNBGDFDNVSJT-RTBURBONSA-N 1 3 359.558 3.381 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473277997 502556545 /nfs/dbraw/zinc/55/65/45/502556545.db2.gz CWGXCKUSMVCSPN-MKXGPGLRSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396949 502557899 /nfs/dbraw/zinc/55/78/99/502557899.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396949 502557904 /nfs/dbraw/zinc/55/79/04/502557904.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000473290381 502560381 /nfs/dbraw/zinc/56/03/81/502560381.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000473290381 502560387 /nfs/dbraw/zinc/56/03/87/502560387.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C[NH3+])CC1 ZINC000469832005 502561201 /nfs/dbraw/zinc/56/12/01/502561201.db2.gz UMXXRXRTVHANJQ-UHFFFAOYSA-N 1 3 363.303 3.114 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832652 502561667 /nfs/dbraw/zinc/56/16/67/502561667.db2.gz USCSYCVINAPZSP-ANTGDGSKSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832652 502561668 /nfs/dbraw/zinc/56/16/68/502561668.db2.gz USCSYCVINAPZSP-ANTGDGSKSA-N 1 3 357.542 3.371 20 0 FGADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000484096984 502568552 /nfs/dbraw/zinc/56/85/52/502568552.db2.gz KGDZWSPGNZYSAN-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134134 502579132 /nfs/dbraw/zinc/57/91/32/502579132.db2.gz JUFDAPLKRHKSLA-CHWSQXEVSA-N 1 3 361.313 3.196 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000466475418 502581066 /nfs/dbraw/zinc/58/10/66/502581066.db2.gz SYRASJGXHHGEBQ-YADHBBJMSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1Cc1ccccc1 ZINC000466517910 502594911 /nfs/dbraw/zinc/59/49/11/502594911.db2.gz KUPPLPOYCVNPCD-RXVVDRJESA-N 1 3 372.557 3.261 20 0 FGADHO CCOc1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173135 502646483 /nfs/dbraw/zinc/64/64/83/502646483.db2.gz BTNLNPRLRZNCLH-CVEARBPZSA-N 1 3 355.482 3.493 20 0 FGADHO CCOc1cc2nccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173135 502646487 /nfs/dbraw/zinc/64/64/87/502646487.db2.gz BTNLNPRLRZNCLH-CVEARBPZSA-N 1 3 355.482 3.493 20 0 FGADHO O=C(C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000484609926 502681937 /nfs/dbraw/zinc/68/19/37/502681937.db2.gz BCTWYQJVMSPZGC-RTWAWAEBSA-N 1 3 355.526 3.045 20 0 FGADHO C[C@H]1C[C@H](NCc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115217 502699179 /nfs/dbraw/zinc/69/91/79/502699179.db2.gz XEINZEXEAUJLCV-GHTZIAJQSA-N 1 3 354.494 3.200 20 0 FGADHO C[C@H]1C[C@H](NCc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115217 502699184 /nfs/dbraw/zinc/69/91/84/502699184.db2.gz XEINZEXEAUJLCV-GHTZIAJQSA-N 1 3 354.494 3.200 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915200 502704186 /nfs/dbraw/zinc/70/41/86/502704186.db2.gz WTFVELHMOXVXQO-JOCHJYFZSA-N 1 3 353.485 3.350 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217019 502709215 /nfs/dbraw/zinc/70/92/15/502709215.db2.gz CFGZJGYJOHDSJG-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000488444869 502716818 /nfs/dbraw/zinc/71/68/18/502716818.db2.gz XEGOLSZLTQNSKC-WSTZPKSXSA-N 1 3 360.546 3.097 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481025483 502731665 /nfs/dbraw/zinc/73/16/65/502731665.db2.gz PKBTWDOGQWRFKJ-UFYCRDLUSA-N 1 3 353.595 3.224 20 0 FGADHO COC(=O)CCCN1CCC(Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000463280378 502744239 /nfs/dbraw/zinc/74/42/39/502744239.db2.gz LQPGOIIOYRFHHS-UHFFFAOYSA-N 1 3 373.541 3.154 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104931 502754991 /nfs/dbraw/zinc/75/49/91/502754991.db2.gz JRFQNUKSULSZOH-JTAQYXEDSA-N 1 3 373.585 3.160 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104931 502754994 /nfs/dbraw/zinc/75/49/94/502754994.db2.gz JRFQNUKSULSZOH-JTAQYXEDSA-N 1 3 373.585 3.160 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761725 /nfs/dbraw/zinc/76/17/25/502761725.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761730 /nfs/dbraw/zinc/76/17/30/502761730.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970984 502823792 /nfs/dbraw/zinc/82/37/92/502823792.db2.gz YDSZFZORMPXOPC-AWEZNQCLSA-N 1 3 356.913 3.483 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970984 502823794 /nfs/dbraw/zinc/82/37/94/502823794.db2.gz YDSZFZORMPXOPC-AWEZNQCLSA-N 1 3 356.913 3.483 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407427 502835791 /nfs/dbraw/zinc/83/57/91/502835791.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 1 3 355.526 3.189 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407427 502835792 /nfs/dbraw/zinc/83/57/92/502835792.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 1 3 355.526 3.189 20 0 FGADHO CN1CCC[C@@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195720 502874299 /nfs/dbraw/zinc/87/42/99/502874299.db2.gz GRMRHISHZWNLQR-QZTJIDSGSA-N 1 3 356.432 3.481 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091564 502877819 /nfs/dbraw/zinc/87/78/19/502877819.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091564 502877822 /nfs/dbraw/zinc/87/78/22/502877822.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 1 3 372.557 3.072 20 0 FGADHO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000500991925 502907682 /nfs/dbraw/zinc/90/76/82/502907682.db2.gz XFWXRYOFSAFFLJ-FXAWDEMLSA-N 1 3 367.965 3.422 20 0 FGADHO CC[C@H]1CCCCN1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037229 502918773 /nfs/dbraw/zinc/91/87/73/502918773.db2.gz GIUKZSMXCYMVCH-IBGZPJMESA-N 1 3 358.530 3.021 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000497122826 502922808 /nfs/dbraw/zinc/92/28/08/502922808.db2.gz BPXRHKQKMZVHDV-IFMALSPDSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000497122826 502922817 /nfs/dbraw/zinc/92/28/17/502922817.db2.gz BPXRHKQKMZVHDV-IFMALSPDSA-N 1 3 359.558 3.202 20 0 FGADHO C[N@@H+](Cc1cccc2c1OCCO2)CC1CCN(c2ccncc2)CC1 ZINC000501074549 502929627 /nfs/dbraw/zinc/92/96/27/502929627.db2.gz BZOQDQAMIQSRIF-UHFFFAOYSA-N 1 3 353.466 3.201 20 0 FGADHO C[N@H+](Cc1cccc2c1OCCO2)CC1CCN(c2ccncc2)CC1 ZINC000501074549 502929629 /nfs/dbraw/zinc/92/96/29/502929629.db2.gz BZOQDQAMIQSRIF-UHFFFAOYSA-N 1 3 353.466 3.201 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000509569606 502936850 /nfs/dbraw/zinc/93/68/50/502936850.db2.gz NOKWTPRYXOMSFF-OKZBNKHCSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000509569606 502936854 /nfs/dbraw/zinc/93/68/54/502936854.db2.gz NOKWTPRYXOMSFF-OKZBNKHCSA-N 1 3 364.534 3.082 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161799 502951796 /nfs/dbraw/zinc/95/17/96/502951796.db2.gz GNSYWPOGJTXGSL-SJLPKXTDSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161799 502951799 /nfs/dbraw/zinc/95/17/99/502951799.db2.gz GNSYWPOGJTXGSL-SJLPKXTDSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178283 502953869 /nfs/dbraw/zinc/95/38/69/502953869.db2.gz YGQPJXCQRUFMMD-FGTMMUONSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178283 502953872 /nfs/dbraw/zinc/95/38/72/502953872.db2.gz YGQPJXCQRUFMMD-FGTMMUONSA-N 1 3 364.559 3.057 20 0 FGADHO CN(CCCN1CCN(c2ccccc2)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000509667429 502962662 /nfs/dbraw/zinc/96/26/62/502962662.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 1 3 358.574 3.005 20 0 FGADHO CN(CCCN1CCN(c2ccccc2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC000509667429 502962666 /nfs/dbraw/zinc/96/26/66/502962666.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 1 3 358.574 3.005 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509667429 502962669 /nfs/dbraw/zinc/96/26/69/502962669.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 1 3 358.574 3.005 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509667429 502962671 /nfs/dbraw/zinc/96/26/71/502962671.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 1 3 358.574 3.005 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(SC)ccc1C ZINC000505719616 502972548 /nfs/dbraw/zinc/97/25/48/502972548.db2.gz MIBOHGKIDATNHF-QGZVFWFLSA-N 1 3 363.571 3.205 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(SC)ccc1C ZINC000505719616 502972552 /nfs/dbraw/zinc/97/25/52/502972552.db2.gz MIBOHGKIDATNHF-QGZVFWFLSA-N 1 3 363.571 3.205 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(SC)ccc1C ZINC000505719615 502972671 /nfs/dbraw/zinc/97/26/71/502972671.db2.gz MIBOHGKIDATNHF-KRWDZBQOSA-N 1 3 363.571 3.205 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(SC)ccc1C ZINC000505719615 502972672 /nfs/dbraw/zinc/97/26/72/502972672.db2.gz MIBOHGKIDATNHF-KRWDZBQOSA-N 1 3 363.571 3.205 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679235 502999053 /nfs/dbraw/zinc/99/90/53/502999053.db2.gz VRTYUPDKLSKVJK-QHAWAJNXSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679235 502999057 /nfs/dbraw/zinc/99/90/57/502999057.db2.gz VRTYUPDKLSKVJK-QHAWAJNXSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513679235 502999059 /nfs/dbraw/zinc/99/90/59/502999059.db2.gz VRTYUPDKLSKVJK-QHAWAJNXSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499208 503021509 /nfs/dbraw/zinc/02/15/09/503021509.db2.gz DPWKICAZDWOESR-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499208 503021513 /nfs/dbraw/zinc/02/15/13/503021513.db2.gz DPWKICAZDWOESR-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000501525095 503028573 /nfs/dbraw/zinc/02/85/73/503028573.db2.gz ZIQWEZPMWGYLGU-SJORKVTESA-N 1 3 362.518 3.011 20 0 FGADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000501525095 503028578 /nfs/dbraw/zinc/02/85/78/503028578.db2.gz ZIQWEZPMWGYLGU-SJORKVTESA-N 1 3 362.518 3.011 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528328 503029400 /nfs/dbraw/zinc/02/94/00/503029400.db2.gz CSRADAQNBSONJN-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528328 503029405 /nfs/dbraw/zinc/02/94/05/503029405.db2.gz CSRADAQNBSONJN-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501533223 503030506 /nfs/dbraw/zinc/03/05/06/503030506.db2.gz IOIRDLURYAQZKZ-YSTOQKLRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501533223 503030509 /nfs/dbraw/zinc/03/05/09/503030509.db2.gz IOIRDLURYAQZKZ-YSTOQKLRSA-N 1 3 366.594 3.164 20 0 FGADHO CCC[C@@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908185 503064772 /nfs/dbraw/zinc/06/47/72/503064772.db2.gz OBTUAZRXBOLHSK-QGZVFWFLSA-N 1 3 371.447 3.256 20 0 FGADHO CCC[C@@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908185 503064773 /nfs/dbraw/zinc/06/47/73/503064773.db2.gz OBTUAZRXBOLHSK-QGZVFWFLSA-N 1 3 371.447 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000514053811 503076685 /nfs/dbraw/zinc/07/66/85/503076685.db2.gz BEFDBDNEAQWWSX-HBMCJLEFSA-N 1 3 370.541 3.058 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000514053811 503076690 /nfs/dbraw/zinc/07/66/90/503076690.db2.gz BEFDBDNEAQWWSX-HBMCJLEFSA-N 1 3 370.541 3.058 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510275528 503083181 /nfs/dbraw/zinc/08/31/81/503083181.db2.gz ZQGRPMULTURATI-ROUUACIJSA-N 1 3 356.514 3.066 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000490008342 503089027 /nfs/dbraw/zinc/08/90/27/503089027.db2.gz PYHUQHAZYOBRIY-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCCC1 ZINC000510323669 503091954 /nfs/dbraw/zinc/09/19/54/503091954.db2.gz BFRQVJQZXZRPBH-LJQANCHMSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501846877 503092814 /nfs/dbraw/zinc/09/28/14/503092814.db2.gz AZHPHKYHROTULX-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501846877 503092817 /nfs/dbraw/zinc/09/28/17/503092817.db2.gz AZHPHKYHROTULX-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000490171628 503122398 /nfs/dbraw/zinc/12/23/98/503122398.db2.gz GHZIECOLGFPUAH-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C ZINC000498403648 503179331 /nfs/dbraw/zinc/17/93/31/503179331.db2.gz WFCOHJSGRBPFAP-UBNGDBJXSA-N 1 3 372.557 3.301 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000498403648 503179336 /nfs/dbraw/zinc/17/93/36/503179336.db2.gz WFCOHJSGRBPFAP-UBNGDBJXSA-N 1 3 372.557 3.301 20 0 FGADHO CN(C)CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449968 503186830 /nfs/dbraw/zinc/18/68/30/503186830.db2.gz BKANEERENNWPQZ-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO CN(C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449968 503186834 /nfs/dbraw/zinc/18/68/34/503186834.db2.gz BKANEERENNWPQZ-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc3c(c2)CCCC3)c1 ZINC000490795892 503229327 /nfs/dbraw/zinc/22/93/27/503229327.db2.gz LDNQPQXNJDBFQR-UHFFFAOYSA-N 1 3 365.521 3.147 20 0 FGADHO Cc1ccc(SCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000490997897 503258478 /nfs/dbraw/zinc/25/84/78/503258478.db2.gz UDVYSMXMFGBPJY-TZIWHRDSSA-N 1 3 361.599 3.353 20 0 FGADHO C[C@H]1CN(CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491020166 503261667 /nfs/dbraw/zinc/26/16/67/503261667.db2.gz NBHRIFJIGSBZDV-UGKGYDQZSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491020166 503261672 /nfs/dbraw/zinc/26/16/72/503261672.db2.gz NBHRIFJIGSBZDV-UGKGYDQZSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491020166 503261675 /nfs/dbraw/zinc/26/16/75/503261675.db2.gz NBHRIFJIGSBZDV-UGKGYDQZSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN2C)CCCC1)c1ccccc1 ZINC000502798888 503274820 /nfs/dbraw/zinc/27/48/20/503274820.db2.gz NWDWPEWACACHHU-PKOBYXMFSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@H](CNCCC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000515165929 503282450 /nfs/dbraw/zinc/28/24/50/503282450.db2.gz PGNGRTPDDSIIQP-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000515165929 503282454 /nfs/dbraw/zinc/28/24/54/503282454.db2.gz PGNGRTPDDSIIQP-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000511224941 503283110 /nfs/dbraw/zinc/28/31/10/503283110.db2.gz WAVNVHIYHZXVOI-CWDSQJGSSA-N 1 3 358.526 3.327 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837461 503284741 /nfs/dbraw/zinc/28/47/41/503284741.db2.gz ABJKMXFRNYHDRZ-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000515261770 503304096 /nfs/dbraw/zinc/30/40/96/503304096.db2.gz JNNQQGQPXQEPKZ-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000515261770 503304101 /nfs/dbraw/zinc/30/41/01/503304101.db2.gz JNNQQGQPXQEPKZ-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521986 503314545 /nfs/dbraw/zinc/31/45/45/503314545.db2.gz CKORTKHGYSMHGI-VSKRKVRLSA-N 1 3 369.553 3.442 20 0 FGADHO COCCCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000507763275 503361988 /nfs/dbraw/zinc/36/19/88/503361988.db2.gz XQLKGDNOSFFMCL-IRLDBZIGSA-N 1 3 354.494 3.276 20 0 FGADHO CN1CCC(Oc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000511860598 503402265 /nfs/dbraw/zinc/40/22/65/503402265.db2.gz DBNMRBMDDBLSJX-IBGZPJMESA-N 1 3 373.541 3.040 20 0 FGADHO CN1CCC(Oc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000511860598 503402267 /nfs/dbraw/zinc/40/22/67/503402267.db2.gz DBNMRBMDDBLSJX-IBGZPJMESA-N 1 3 373.541 3.040 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C ZINC000503431396 503408237 /nfs/dbraw/zinc/40/82/37/503408237.db2.gz QAYHIRXWRJKYAI-HZGZPEGRSA-N 1 3 372.557 3.302 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000511911549 503413900 /nfs/dbraw/zinc/41/39/00/503413900.db2.gz UAEDRAGIOYQOHN-FQEVSTJZSA-N 1 3 360.546 3.154 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000511911549 503413903 /nfs/dbraw/zinc/41/39/03/503413903.db2.gz UAEDRAGIOYQOHN-FQEVSTJZSA-N 1 3 360.546 3.154 20 0 FGADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000493694970 503440648 /nfs/dbraw/zinc/44/06/48/503440648.db2.gz ZLQGPLYMXKJFNM-CVDCTZTESA-N 1 3 371.569 3.130 20 0 FGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000493734314 503442371 /nfs/dbraw/zinc/44/23/71/503442371.db2.gz FBMCRURXXHYDIJ-XXBNENTESA-N 1 3 367.537 3.300 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814728 503447658 /nfs/dbraw/zinc/44/76/58/503447658.db2.gz WKLWKRNHBPNDKU-BZSNNMDCSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814728 503447665 /nfs/dbraw/zinc/44/76/65/503447665.db2.gz WKLWKRNHBPNDKU-BZSNNMDCSA-N 1 3 364.534 3.128 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493880799 503452676 /nfs/dbraw/zinc/45/26/76/503452676.db2.gz BDSYSJUVSWAZKY-NRFANRHFSA-N 1 3 366.505 3.127 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058825 503480436 /nfs/dbraw/zinc/48/04/36/503480436.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058825 503480438 /nfs/dbraw/zinc/48/04/38/503480438.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505071 503553564 /nfs/dbraw/zinc/55/35/64/503553564.db2.gz JFBUONQDZYIWRO-GZOSKZMVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505071 503553568 /nfs/dbraw/zinc/55/35/68/503553568.db2.gz JFBUONQDZYIWRO-GZOSKZMVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000500102867 503554881 /nfs/dbraw/zinc/55/48/81/503554881.db2.gz ANLMSLGIJLHXIV-OQUMVOOASA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000500182981 503572995 /nfs/dbraw/zinc/57/29/95/503572995.db2.gz MIIOKXNGMYIKIJ-ZVDOUQERSA-N 1 3 374.573 3.345 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000500182981 503573000 /nfs/dbraw/zinc/57/30/00/503573000.db2.gz MIIOKXNGMYIKIJ-ZVDOUQERSA-N 1 3 374.573 3.345 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000508899876 503594823 /nfs/dbraw/zinc/59/48/23/503594823.db2.gz WIDLRQIFHLUZKW-UEXGIBASSA-N 1 3 374.573 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)C ZINC000508909732 503597620 /nfs/dbraw/zinc/59/76/20/503597620.db2.gz XNQLXKMFSQFYGW-ZJOUEHCJSA-N 1 3 372.557 3.114 20 0 FGADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000512640994 503601292 /nfs/dbraw/zinc/60/12/92/503601292.db2.gz CEDDINIBMKUAIA-TUFLPTIASA-N 1 3 350.510 3.157 20 0 FGADHO CC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713982 503671952 /nfs/dbraw/zinc/67/19/52/503671952.db2.gz CALMUVOUUWQEGB-HXUWFJFHSA-N 1 3 370.541 3.211 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2CC(C)C)[C@@H](C)C1 ZINC000540147201 503688851 /nfs/dbraw/zinc/68/88/51/503688851.db2.gz QNDKPEBAKCIPDC-ACRUOGEOSA-N 1 3 353.595 3.224 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000533110938 503734764 /nfs/dbraw/zinc/73/47/64/503734764.db2.gz CMQJKYPWXJBDQC-UHFFFAOYSA-N 1 3 367.946 3.049 20 0 FGADHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000527292292 503755655 /nfs/dbraw/zinc/75/56/55/503755655.db2.gz DMARGQRPZMVLNU-UHFFFAOYSA-N 1 3 359.905 3.193 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762673 /nfs/dbraw/zinc/76/26/73/503762673.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762677 /nfs/dbraw/zinc/76/26/77/503762677.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 1 3 351.579 3.466 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000543433076 503767558 /nfs/dbraw/zinc/76/75/58/503767558.db2.gz SYXZPLWIRPTJOE-CYBMUJFWSA-N 1 3 355.910 3.386 20 0 FGADHO Cc1nc(C2CCCCC2)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000540472563 503781891 /nfs/dbraw/zinc/78/18/91/503781891.db2.gz YPSHZUREQRAINK-UHFFFAOYSA-N 1 3 366.575 3.065 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537085519 503796948 /nfs/dbraw/zinc/79/69/48/503796948.db2.gz FDRCCLJCVZFTKU-QGZVFWFLSA-N 1 3 352.482 3.470 20 0 FGADHO CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C2CCCC2)(c2ccccc2)CC1 ZINC000530024888 503798801 /nfs/dbraw/zinc/79/88/01/503798801.db2.gz AFNOBJMRHUOFPX-NRFANRHFSA-N 1 3 369.553 3.173 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543524183 503802274 /nfs/dbraw/zinc/80/22/74/503802274.db2.gz KFLHNUDTFGXVDJ-HXUWFJFHSA-N 1 3 355.570 3.141 20 0 FGADHO CN(CCC[NH+](C)C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000543673373 503848168 /nfs/dbraw/zinc/84/81/68/503848168.db2.gz BLGVBZYXPARZPP-HXUWFJFHSA-N 1 3 374.573 3.053 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715225 503863779 /nfs/dbraw/zinc/86/37/79/503863779.db2.gz LKFYUNSDFWDUDI-OALUTQOASA-N 1 3 358.530 3.021 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715225 503863784 /nfs/dbraw/zinc/86/37/84/503863784.db2.gz LKFYUNSDFWDUDI-OALUTQOASA-N 1 3 358.530 3.021 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000543716284 503864470 /nfs/dbraw/zinc/86/44/70/503864470.db2.gz HYHRVVUKZQJLJM-HXUWFJFHSA-N 1 3 354.498 3.107 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(CC)CC1 ZINC000527716394 503910942 /nfs/dbraw/zinc/91/09/42/503910942.db2.gz POJSKCQILSZAQM-TZIWHRDSSA-N 1 3 357.542 3.135 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(CC)CC1 ZINC000527716394 503910950 /nfs/dbraw/zinc/91/09/50/503910950.db2.gz POJSKCQILSZAQM-TZIWHRDSSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366663 503964140 /nfs/dbraw/zinc/96/41/40/503964140.db2.gz FOHIWEXRLSJLFS-UZKOGDIHSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858422 503974875 /nfs/dbraw/zinc/97/48/75/503974875.db2.gz KBNNVRNUKKNWET-SFHVURJKSA-N 1 3 369.557 3.011 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874793 503982123 /nfs/dbraw/zinc/98/21/23/503982123.db2.gz YOEJNKULPIBWSY-GUDVDZBRSA-N 1 3 352.881 3.434 20 0 FGADHO Cc1cccc([C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)c1 ZINC000527909148 503994508 /nfs/dbraw/zinc/99/45/08/503994508.db2.gz PKNGSQQSLBCWQQ-NRFANRHFSA-N 1 3 359.558 3.078 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694958 504008087 /nfs/dbraw/zinc/00/80/87/504008087.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 1 3 370.585 3.135 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694958 504008093 /nfs/dbraw/zinc/00/80/93/504008093.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 1 3 370.585 3.135 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518593127 504022954 /nfs/dbraw/zinc/02/29/54/504022954.db2.gz ZVGHPAPGGWYHBM-VAMGGRTRSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)N(C)C)cc1 ZINC000518594344 504023402 /nfs/dbraw/zinc/02/34/02/504023402.db2.gz YQGPWHUJPVVLLC-NSHGMRRFSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)N(C)C)cc1 ZINC000518594344 504023407 /nfs/dbraw/zinc/02/34/07/504023407.db2.gz YQGPWHUJPVVLLC-NSHGMRRFSA-N 1 3 360.546 3.160 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023549 /nfs/dbraw/zinc/02/35/49/504023549.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023557 /nfs/dbraw/zinc/02/35/57/504023557.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000530642148 504036145 /nfs/dbraw/zinc/03/61/45/504036145.db2.gz UJZZNVGXFQXVGG-JKSUJKDBSA-N 1 3 372.340 3.049 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043434 /nfs/dbraw/zinc/04/34/34/504043434.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 1 3 369.303 3.482 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043437 /nfs/dbraw/zinc/04/34/37/504043437.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 1 3 369.303 3.482 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769842 504082578 /nfs/dbraw/zinc/08/25/78/504082578.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769842 504082581 /nfs/dbraw/zinc/08/25/81/504082581.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCC(C)CC1 ZINC000519306487 504188414 /nfs/dbraw/zinc/18/84/14/504188414.db2.gz PFASAMOCHBYAFN-SFHVURJKSA-N 1 3 352.567 3.061 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000541667627 504216194 /nfs/dbraw/zinc/21/61/94/504216194.db2.gz UTZNEHFJJZIYDO-UHFFFAOYSA-N 1 3 365.949 3.068 20 0 FGADHO CC[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[NH+](CC)CC ZINC000519532143 504242947 /nfs/dbraw/zinc/24/29/47/504242947.db2.gz HODHWZSBWBFNTP-MSOLQXFVSA-N 1 3 351.560 3.248 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571457 504257597 /nfs/dbraw/zinc/25/75/97/504257597.db2.gz QNUVHAPCVSKBKD-RXVVDRJESA-N 1 3 374.573 3.217 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)N(C)C)cc1 ZINC000541836990 504268982 /nfs/dbraw/zinc/26/89/82/504268982.db2.gz CLILCMNFHBHUCB-IBGZPJMESA-N 1 3 360.546 3.019 20 0 FGADHO CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544876333 504287684 /nfs/dbraw/zinc/28/76/84/504287684.db2.gz ZNTIOIKMFWJXNA-OAQYLSRUSA-N 1 3 366.509 3.031 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4ccn(C)c4c3)CC2)CC1 ZINC000519654231 504290080 /nfs/dbraw/zinc/29/00/80/504290080.db2.gz UJEQOHSMUKOJHK-UHFFFAOYSA-N 1 3 368.525 3.313 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C4CCCC4)C3)CC2)CC1 ZINC000519655116 504291200 /nfs/dbraw/zinc/29/12/00/504291200.db2.gz UAFJYEQZFQXHPT-FQEVSTJZSA-N 1 3 361.574 3.221 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000531391893 504291792 /nfs/dbraw/zinc/29/17/92/504291792.db2.gz ZBBZXNIPAJUSEI-LSDHHAIUSA-N 1 3 360.454 3.190 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967450 504296591 /nfs/dbraw/zinc/29/65/91/504296591.db2.gz XKAUNLUDOLEZMB-HXUWFJFHSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967450 504296597 /nfs/dbraw/zinc/29/65/97/504296597.db2.gz XKAUNLUDOLEZMB-HXUWFJFHSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616118 504305062 /nfs/dbraw/zinc/30/50/62/504305062.db2.gz VEOAHQAEELORNR-PKOBYXMFSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616118 504305068 /nfs/dbraw/zinc/30/50/68/504305068.db2.gz VEOAHQAEELORNR-PKOBYXMFSA-N 1 3 352.482 3.053 20 0 FGADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611876 504362908 /nfs/dbraw/zinc/36/29/08/504362908.db2.gz CFHSEALUQALHOE-LJQANCHMSA-N 1 3 371.550 3.352 20 0 FGADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611876 504362912 /nfs/dbraw/zinc/36/29/12/504362912.db2.gz CFHSEALUQALHOE-LJQANCHMSA-N 1 3 371.550 3.352 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000542185196 504397294 /nfs/dbraw/zinc/39/72/94/504397294.db2.gz IQFXQFVTRBOXCU-WRHDZBKDSA-N 1 3 369.553 3.230 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000542185196 504397299 /nfs/dbraw/zinc/39/72/99/504397299.db2.gz IQFXQFVTRBOXCU-WRHDZBKDSA-N 1 3 369.553 3.230 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCCC1 ZINC000538946162 504425969 /nfs/dbraw/zinc/42/59/69/504425969.db2.gz YLONQSWAPBIRNT-UHFFFAOYSA-N 1 3 372.557 3.459 20 0 FGADHO CN(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441554 /nfs/dbraw/zinc/44/15/54/504441554.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO CN(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441558 /nfs/dbraw/zinc/44/15/58/504441558.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539071330 504464718 /nfs/dbraw/zinc/46/47/18/504464718.db2.gz RTPHUWNFDLTJFT-QFIPXVFZSA-N 1 3 367.537 3.397 20 0 FGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539073143 504464790 /nfs/dbraw/zinc/46/47/90/504464790.db2.gz IIPGERQFRDTLEU-QZTJIDSGSA-N 1 3 357.542 3.427 20 0 FGADHO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000520365842 504479284 /nfs/dbraw/zinc/47/92/84/504479284.db2.gz RWGAWSNLEDEYOH-FQEVSTJZSA-N 1 3 357.542 3.442 20 0 FGADHO Cc1cc(Br)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000532119980 504540987 /nfs/dbraw/zinc/54/09/87/504540987.db2.gz SIIOGPZNWLNTFH-UHFFFAOYSA-N 1 3 355.320 3.082 20 0 FGADHO Cc1cccc(C)c1OCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542592443 504548500 /nfs/dbraw/zinc/54/85/00/504548500.db2.gz XFXVDVKNDOAHBL-UHFFFAOYSA-N 1 3 373.585 3.422 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000542786170 504608777 /nfs/dbraw/zinc/60/87/77/504608777.db2.gz FIJFNFDNKMKHFH-LJQANCHMSA-N 1 3 372.557 3.411 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000542786170 504608784 /nfs/dbraw/zinc/60/87/84/504608784.db2.gz FIJFNFDNKMKHFH-LJQANCHMSA-N 1 3 372.557 3.411 20 0 FGADHO CN(CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccncc1 ZINC000542783715 504609562 /nfs/dbraw/zinc/60/95/62/504609562.db2.gz ATYYBRFDDPZKLI-UHFFFAOYSA-N 1 3 352.482 3.185 20 0 FGADHO C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823087 504626001 /nfs/dbraw/zinc/62/60/01/504626001.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823087 504626002 /nfs/dbraw/zinc/62/60/02/504626002.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000529360033 504645666 /nfs/dbraw/zinc/64/56/66/504645666.db2.gz SCERPFHBTPVLMJ-YZGWKJHDSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1CCN(C)CC1 ZINC000545980784 504664445 /nfs/dbraw/zinc/66/44/45/504664445.db2.gz HELLOHXQXOWRQW-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852511 504718459 /nfs/dbraw/zinc/71/84/59/504718459.db2.gz TVPVKAYHTHSVPZ-TZIWHRDSSA-N 1 3 357.542 3.077 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852511 504718464 /nfs/dbraw/zinc/71/84/64/504718464.db2.gz TVPVKAYHTHSVPZ-TZIWHRDSSA-N 1 3 357.542 3.077 20 0 FGADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000543097621 504724109 /nfs/dbraw/zinc/72/41/09/504724109.db2.gz RRDWDSMADHDEPN-WTOYTKOKSA-N 1 3 365.521 3.260 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000565037413 504777550 /nfs/dbraw/zinc/77/75/50/504777550.db2.gz RMZXPQKPGYPKAH-GIVPXCGWSA-N 1 3 370.541 3.067 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000562302945 504778083 /nfs/dbraw/zinc/77/80/83/504778083.db2.gz BOGQKSFGGJUSSD-UHFFFAOYSA-N 1 3 371.569 3.406 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2sc(Br)cc21 ZINC000556103439 504796912 /nfs/dbraw/zinc/79/69/12/504796912.db2.gz CEQNGSAQHMVKJD-AAEUAGOBSA-N 1 3 361.349 3.444 20 0 FGADHO CCc1oc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403719 504812027 /nfs/dbraw/zinc/81/20/27/504812027.db2.gz NLBPNSDHNZKXJR-HOTGVXAUSA-N 1 3 350.503 3.476 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556202819 504819635 /nfs/dbraw/zinc/81/96/35/504819635.db2.gz DAHPAWSHHLOINU-MJUUVYJYSA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556202819 504819638 /nfs/dbraw/zinc/81/96/38/504819638.db2.gz DAHPAWSHHLOINU-MJUUVYJYSA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556202819 504819643 /nfs/dbraw/zinc/81/96/43/504819643.db2.gz DAHPAWSHHLOINU-MJUUVYJYSA-N 1 3 357.542 3.039 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326075 504835363 /nfs/dbraw/zinc/83/53/63/504835363.db2.gz BBASCWDGYMWCJP-IBGZPJMESA-N 1 3 360.567 3.400 20 0 FGADHO CC[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303932 504849476 /nfs/dbraw/zinc/84/94/76/504849476.db2.gz XITLVVAPOFBFGE-LNLFQRSKSA-N 1 3 363.933 3.229 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000565428896 504885130 /nfs/dbraw/zinc/88/51/30/504885130.db2.gz XYCRUHLTFGBZBS-IRXDYDNUSA-N 1 3 357.542 3.192 20 0 FGADHO Clc1ccc([C@@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476542 504899214 /nfs/dbraw/zinc/89/92/14/504899214.db2.gz RPBXOQSEFDQPLJ-DLBZAZTESA-N 1 3 359.905 3.351 20 0 FGADHO CC(C)(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000553394503 504903167 /nfs/dbraw/zinc/90/31/67/504903167.db2.gz PEWCIYHNQOVBDA-HXUWFJFHSA-N 1 3 361.505 3.246 20 0 FGADHO C[C@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046632 505032523 /nfs/dbraw/zinc/03/25/23/505032523.db2.gz CDBJQLSIYQJFCF-IRLDBZIGSA-N 1 3 371.569 3.179 20 0 FGADHO COc1ccc(C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000563154679 505062050 /nfs/dbraw/zinc/06/20/50/505062050.db2.gz TVMZBPMHQJMNTA-VSDWSMLSSA-N 1 3 368.521 3.227 20 0 FGADHO COc1ccc(C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000563154679 505062055 /nfs/dbraw/zinc/06/20/55/505062055.db2.gz TVMZBPMHQJMNTA-VSDWSMLSSA-N 1 3 368.521 3.227 20 0 FGADHO COc1ccc(CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000563154679 505062060 /nfs/dbraw/zinc/06/20/60/505062060.db2.gz TVMZBPMHQJMNTA-VSDWSMLSSA-N 1 3 368.521 3.227 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000566057141 505067561 /nfs/dbraw/zinc/06/75/61/505067561.db2.gz PUJPXMFWQGZRIO-LJQANCHMSA-N 1 3 355.482 3.388 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000563207187 505075758 /nfs/dbraw/zinc/07/57/58/505075758.db2.gz WBQXWTRAIBMTCE-KNQAVFIVSA-N 1 3 371.569 3.450 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000563207187 505075761 /nfs/dbraw/zinc/07/57/61/505075761.db2.gz WBQXWTRAIBMTCE-KNQAVFIVSA-N 1 3 371.569 3.450 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000557193771 505090247 /nfs/dbraw/zinc/09/02/47/505090247.db2.gz SBUVTNMZLLUVHX-GOSISDBHSA-N 1 3 372.557 3.291 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163458 505101897 /nfs/dbraw/zinc/10/18/97/505101897.db2.gz GMWYXZVPTCGMNJ-KBRIMQKVSA-N 1 3 371.447 3.203 20 0 FGADHO COc1ccc([C@@H](Cc2ccncc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560513957 505109555 /nfs/dbraw/zinc/10/95/55/505109555.db2.gz OAKXWOFXFMHRNH-PGRDOPGGSA-N 1 3 351.494 3.448 20 0 FGADHO COc1ccc([C@@H](Cc2ccncc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560513957 505109560 /nfs/dbraw/zinc/10/95/60/505109560.db2.gz OAKXWOFXFMHRNH-PGRDOPGGSA-N 1 3 351.494 3.448 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)on2)cc1 ZINC000557338850 505111314 /nfs/dbraw/zinc/11/13/14/505111314.db2.gz GBXFSFYQBPJCEW-FPOVZHCZSA-N 1 3 355.482 3.368 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000560530252 505116408 /nfs/dbraw/zinc/11/64/08/505116408.db2.gz PGQIAXOUHYTHJY-XRGAULLZSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000560530252 505116412 /nfs/dbraw/zinc/11/64/12/505116412.db2.gz PGQIAXOUHYTHJY-XRGAULLZSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000560530252 505116416 /nfs/dbraw/zinc/11/64/16/505116416.db2.gz PGQIAXOUHYTHJY-XRGAULLZSA-N 1 3 373.324 3.196 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)N(C)C)cc1 ZINC000554217068 505117661 /nfs/dbraw/zinc/11/76/61/505117661.db2.gz UYYDYUNQVKVFOO-UIFIKXQLSA-N 1 3 372.557 3.120 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245354 505121512 /nfs/dbraw/zinc/12/15/12/505121512.db2.gz OEWBROHIMHHFCK-BPQIPLTHSA-N 1 3 363.933 3.181 20 0 FGADHO O=C(C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)NCCN1CCCCCC1 ZINC000560547361 505122011 /nfs/dbraw/zinc/12/20/11/505122011.db2.gz SJNZWSMBSJRFOZ-OAQYLSRUSA-N 1 3 373.516 3.343 20 0 FGADHO CC[NH+](CC)CCOC1CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554239013 505123062 /nfs/dbraw/zinc/12/30/62/505123062.db2.gz ZGXGNZFQOUALJL-LJQANCHMSA-N 1 3 368.949 3.066 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)N(C)C ZINC000554255259 505126364 /nfs/dbraw/zinc/12/63/64/505126364.db2.gz RBDXTFXTVIMHHL-HKUYNNGSSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000554260549 505127368 /nfs/dbraw/zinc/12/73/68/505127368.db2.gz OXRHDITWKNNYHM-MJGOQNOKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563498973 505157345 /nfs/dbraw/zinc/15/73/45/505157345.db2.gz HKLPNXJZWPFYFM-NVXWUHKLSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@@H](NC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563498973 505157347 /nfs/dbraw/zinc/15/73/47/505157347.db2.gz HKLPNXJZWPFYFM-NVXWUHKLSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549629 505204364 /nfs/dbraw/zinc/20/43/64/505204364.db2.gz FACCCIHTLNBWAQ-SZMVWBNQSA-N 1 3 355.448 3.123 20 0 FGADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554549629 505204368 /nfs/dbraw/zinc/20/43/68/505204368.db2.gz FACCCIHTLNBWAQ-SZMVWBNQSA-N 1 3 355.448 3.123 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000561047842 505237064 /nfs/dbraw/zinc/23/70/64/505237064.db2.gz VQJQXJYYUJYTSA-HXUWFJFHSA-N 1 3 356.514 3.251 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000561047842 505237069 /nfs/dbraw/zinc/23/70/69/505237069.db2.gz VQJQXJYYUJYTSA-HXUWFJFHSA-N 1 3 356.514 3.251 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870584 505296435 /nfs/dbraw/zinc/29/64/35/505296435.db2.gz ZTFBSBJWWCDUMD-KSEOMHKRSA-N 1 3 372.553 3.462 20 0 FGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000551789403 505307696 /nfs/dbraw/zinc/30/76/96/505307696.db2.gz PVJSQTUZBMZCPQ-ZLGUVYLKSA-N 1 3 369.509 3.312 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789829 505307796 /nfs/dbraw/zinc/30/77/96/505307796.db2.gz SGQSIYIQFFRQAD-KZNAEPCWSA-N 1 3 356.432 3.388 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116809 505311242 /nfs/dbraw/zinc/31/12/42/505311242.db2.gz LFWAUPPLEWCTNK-VPWXQRGCSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116809 505311247 /nfs/dbraw/zinc/31/12/47/505311247.db2.gz LFWAUPPLEWCTNK-VPWXQRGCSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000558116809 505311250 /nfs/dbraw/zinc/31/12/50/505311250.db2.gz LFWAUPPLEWCTNK-VPWXQRGCSA-N 1 3 350.934 3.486 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000564156567 505341077 /nfs/dbraw/zinc/34/10/77/505341077.db2.gz ISCMYVNHFHIOEE-HXUWFJFHSA-N 1 3 371.569 3.444 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000567042030 505346693 /nfs/dbraw/zinc/34/66/93/505346693.db2.gz YINAMTPOZXBFFX-NRFANRHFSA-N 1 3 374.573 3.174 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000558364019 505368642 /nfs/dbraw/zinc/36/86/42/505368642.db2.gz KREFYXGMUDJCRX-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159386 505381223 /nfs/dbraw/zinc/38/12/23/505381223.db2.gz UHTSFDWEIWBWJQ-BSLALVQMSA-N 1 3 368.477 3.308 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552053979 505383192 /nfs/dbraw/zinc/38/31/92/505383192.db2.gz DMJFXZJOBZTTLU-CGXNFDGLSA-N 1 3 359.583 3.066 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552053979 505383196 /nfs/dbraw/zinc/38/31/96/505383196.db2.gz DMJFXZJOBZTTLU-CGXNFDGLSA-N 1 3 359.583 3.066 20 0 FGADHO Cc1cccc(C[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C2CC2)c1 ZINC000561786605 505436688 /nfs/dbraw/zinc/43/66/88/505436688.db2.gz VMMGATBGHJGAKK-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO O[C@H](CNCCC[NH+]1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437547 505492036 /nfs/dbraw/zinc/49/20/36/505492036.db2.gz JPLHWWKYUNKYCN-GOSISDBHSA-N 1 3 351.494 3.231 20 0 FGADHO O[C@H](C[NH2+]CCCN1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437547 505492040 /nfs/dbraw/zinc/49/20/40/505492040.db2.gz JPLHWWKYUNKYCN-GOSISDBHSA-N 1 3 351.494 3.231 20 0 FGADHO CCc1nc2cc(CNC3CC[NH+](CCOC)CC3)ccc2n1C1CC1 ZINC000558976119 505542949 /nfs/dbraw/zinc/54/29/49/505542949.db2.gz LILLANVGDBAQJA-UHFFFAOYSA-N 1 3 356.514 3.134 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549747 /nfs/dbraw/zinc/54/97/47/505549747.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549749 /nfs/dbraw/zinc/54/97/49/505549749.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 1 3 374.573 3.317 20 0 FGADHO CC[NH+]1CCC(CNCc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000582764451 506405583 /nfs/dbraw/zinc/40/55/83/506405583.db2.gz YUWXDCVNHNBLIL-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583028650 506548772 /nfs/dbraw/zinc/54/87/72/506548772.db2.gz RJYPAACCUJLAOM-CMKODMSKSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583028650 506548775 /nfs/dbraw/zinc/54/87/75/506548775.db2.gz RJYPAACCUJLAOM-CMKODMSKSA-N 1 3 360.546 3.067 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000583091208 506585111 /nfs/dbraw/zinc/58/51/11/506585111.db2.gz LJNCFBCJTWEYAB-WIYYLYMNSA-N 1 3 365.521 3.313 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635034 506641445 /nfs/dbraw/zinc/64/14/45/506641445.db2.gz ZZYCTQXTQLFNIV-DYXWJJEUSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635034 506641450 /nfs/dbraw/zinc/64/14/50/506641450.db2.gz ZZYCTQXTQLFNIV-DYXWJJEUSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604080017 506706445 /nfs/dbraw/zinc/70/64/45/506706445.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604080017 506706451 /nfs/dbraw/zinc/70/64/51/506706451.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604173078 506735771 /nfs/dbraw/zinc/73/57/71/506735771.db2.gz HDTLDXDZDUIEDW-QHAWAJNXSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604173078 506735777 /nfs/dbraw/zinc/73/57/77/506735777.db2.gz HDTLDXDZDUIEDW-QHAWAJNXSA-N 1 3 370.541 3.140 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000583457718 506787970 /nfs/dbraw/zinc/78/79/70/506787970.db2.gz VGSDRGBSYAVGGP-OAQYLSRUSA-N 1 3 369.553 3.199 20 0 FGADHO CN(C)CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000583505704 506815534 /nfs/dbraw/zinc/81/55/34/506815534.db2.gz QBLHYGRFHDQDRK-UHFFFAOYSA-N 1 3 351.494 3.491 20 0 FGADHO C[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583937 506862519 /nfs/dbraw/zinc/86/25/19/506862519.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583937 506862524 /nfs/dbraw/zinc/86/25/24/506862524.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000591457604 507259042 /nfs/dbraw/zinc/25/90/42/507259042.db2.gz BBEWITHXYAMQNI-LJQANCHMSA-N 1 3 373.541 3.108 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000591457604 507259044 /nfs/dbraw/zinc/25/90/44/507259044.db2.gz BBEWITHXYAMQNI-LJQANCHMSA-N 1 3 373.541 3.108 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000591538419 507281569 /nfs/dbraw/zinc/28/15/69/507281569.db2.gz RDRNEMBBZHUVOM-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000591538419 507281574 /nfs/dbraw/zinc/28/15/74/507281574.db2.gz RDRNEMBBZHUVOM-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000594942418 507324823 /nfs/dbraw/zinc/32/48/23/507324823.db2.gz IBUAVTMHCWFNFX-SZOCEBHJSA-N 1 3 356.510 3.074 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460448 507358259 /nfs/dbraw/zinc/35/82/59/507358259.db2.gz IAYZTGDWBRTHQV-RXVVDRJESA-N 1 3 355.482 3.368 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000584491724 507374577 /nfs/dbraw/zinc/37/45/77/507374577.db2.gz XWWJHZQKCTWDOY-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000584491724 507374585 /nfs/dbraw/zinc/37/45/85/507374585.db2.gz XWWJHZQKCTWDOY-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO COC(=O)COc1ccccc1[C@H](C)NCC1CC[NH+](CC2CC2)CC1 ZINC000595103666 507393599 /nfs/dbraw/zinc/39/35/99/507393599.db2.gz NXAVFXMSOXDXKU-INIZCTEOSA-N 1 3 360.498 3.011 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638005 507461695 /nfs/dbraw/zinc/46/16/95/507461695.db2.gz NXZIOZVSGXVJSL-CRAIPNDOSA-N 1 3 366.575 3.161 20 0 FGADHO CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274398 507598779 /nfs/dbraw/zinc/59/87/79/507598779.db2.gz UBEIAGLTHZJLOP-IBGZPJMESA-N 1 3 374.525 3.325 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101520 507762312 /nfs/dbraw/zinc/76/23/12/507762312.db2.gz CEOQEZPIINDEGO-TZIWHRDSSA-N 1 3 373.516 3.125 20 0 FGADHO C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CCC2)C1 ZINC000615193027 507774031 /nfs/dbraw/zinc/77/40/31/507774031.db2.gz CYLQUAJFAWXLBU-SIKLNZKXSA-N 1 3 369.553 3.199 20 0 FGADHO CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821199100 606208471 /nfs/dbraw/zinc/20/84/71/606208471.db2.gz ZDBPYDOOGZAWPB-UHFFFAOYSA-N 1 3 356.499 3.060 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935388 608501640 /nfs/dbraw/zinc/50/16/40/608501640.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935388 608501641 /nfs/dbraw/zinc/50/16/41/608501641.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935388 608501642 /nfs/dbraw/zinc/50/16/42/608501642.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935388 608501643 /nfs/dbraw/zinc/50/16/43/608501643.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 1 3 368.529 3.488 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1)CC1CC1 ZINC000825419725 608882651 /nfs/dbraw/zinc/88/26/51/608882651.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 1 3 374.558 3.262 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1)CC1CC1 ZINC000825419725 608882653 /nfs/dbraw/zinc/88/26/53/608882653.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 1 3 374.558 3.262 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cc(-c3nn[n-]n3)cs2)CC1)CC1CC1 ZINC000825419725 608882654 /nfs/dbraw/zinc/88/26/54/608882654.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 1 3 374.558 3.262 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3nn[n-]n3)cs2)CC1)CC1CC1 ZINC000825419725 608882656 /nfs/dbraw/zinc/88/26/56/608882656.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 1 3 374.558 3.262 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000127969117 700769119 /nfs/dbraw/zinc/76/91/19/700769119.db2.gz RTDMYKOVZOFFNS-INIZCTEOSA-N 1 3 353.457 3.331 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCC2(C)OCCO2)ccc1OC ZINC000183902119 705909625 /nfs/dbraw/zinc/90/96/25/705909625.db2.gz OQEUXOQHSHMFNX-MRXNPFEDSA-N 1 3 350.503 3.341 20 0 FGADHO O=c1[nH]c2ccc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713993 717923503 /nfs/dbraw/zinc/92/35/03/717923503.db2.gz WCYGDFIQTXFNHH-OAHLLOKOSA-N 1 3 356.495 3.332 20 0 FGADHO O=c1[nH]c2ccc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713993 717923507 /nfs/dbraw/zinc/92/35/07/717923507.db2.gz WCYGDFIQTXFNHH-OAHLLOKOSA-N 1 3 356.495 3.332 20 0 FGADHO C[C@H]1CN(CCCOc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374327932 713913921 /nfs/dbraw/zinc/91/39/21/713913921.db2.gz YBYUBLRDKLTKQQ-FXAWDEMLSA-N 1 3 365.949 3.067 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551203 713930417 /nfs/dbraw/zinc/93/04/17/713930417.db2.gz SEZZRCZWPKNBCV-QGZVFWFLSA-N 1 3 361.496 3.457 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551203 713930419 /nfs/dbraw/zinc/93/04/19/713930419.db2.gz SEZZRCZWPKNBCV-QGZVFWFLSA-N 1 3 361.496 3.457 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000414814416 714005631 /nfs/dbraw/zinc/00/56/31/714005631.db2.gz VLUFNGUKEBCUHU-NSHDSACASA-N 1 3 363.255 3.487 20 0 FGADHO CCCc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000621337323 714982506 /nfs/dbraw/zinc/98/25/06/714982506.db2.gz VHTQNBLPTTZHQQ-UHFFFAOYSA-N 1 3 359.539 3.282 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548214 718038892 /nfs/dbraw/zinc/03/88/92/718038892.db2.gz TZCGFSQQOSVARI-NZUILWFCSA-N 1 3 359.905 3.268 20 0 FGADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165065 716119081 /nfs/dbraw/zinc/11/90/81/716119081.db2.gz LLDSDLSYHOLPQW-GFCCVEGCSA-N 1 3 350.450 3.292 20 0 FGADHO [NH3+]CCCOCCNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629659511 716332025 /nfs/dbraw/zinc/33/20/25/716332025.db2.gz BGHOZRAXLDAMON-UHFFFAOYSA-N 1 3 361.873 3.047 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cscc3Cl)CC2)CC1 ZINC000640777487 717806587 /nfs/dbraw/zinc/80/65/87/717806587.db2.gz CBDHFTCUQROSNI-UHFFFAOYSA-N 1 3 356.923 3.082 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619336 718134275 /nfs/dbraw/zinc/13/42/75/718134275.db2.gz CZPOCBFPPYSQJZ-WNRNVDISSA-N 1 3 356.432 3.190 20 0 FGADHO CC[C@@]1(NCc2cc(C[NH2+][C@@]3(CC)CCOC3)ccc2F)CCOC1 ZINC000649482968 718519580 /nfs/dbraw/zinc/51/95/80/718519580.db2.gz XMPMPDWAJOCHLE-VQTJNVASSA-N 1 3 350.478 3.143 20 0 FGADHO C[NH+](C)CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC000649660200 718546189 /nfs/dbraw/zinc/54/61/89/718546189.db2.gz AVMJIDQYJPUTTO-HOTGVXAUSA-N 1 3 358.404 3.329 20 0 FGADHO CCC(C)(C)N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000654452609 719203642 /nfs/dbraw/zinc/20/36/42/719203642.db2.gz SZNNPHVZNSWADA-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@@H](C)O1 ZINC000657368520 719634611 /nfs/dbraw/zinc/63/46/11/719634611.db2.gz XZWIWNJIPBPOQV-ZIAGYGMSSA-N 1 3 360.420 3.406 20 0 FGADHO NC1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC2(CCC2)C1 ZINC000659329461 719899270 /nfs/dbraw/zinc/89/92/70/719899270.db2.gz VJIDBIQWDIJALW-UHFFFAOYSA-N 1 3 359.539 3.475 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841432 720329769 /nfs/dbraw/zinc/32/97/69/720329769.db2.gz PLXMEEMWHKEBTB-RBUKOAKNSA-N 1 3 351.579 3.118 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280913 720408970 /nfs/dbraw/zinc/40/89/70/720408970.db2.gz HIZDPIATCLMMFH-NVXWUHKLSA-N 1 3 356.482 3.275 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294679 720411404 /nfs/dbraw/zinc/41/14/04/720411404.db2.gz DRPKMKUVKDMYJL-RDJZCZTQSA-N 1 3 361.555 3.447 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccsc1 ZINC000662384798 720423926 /nfs/dbraw/zinc/42/39/26/720423926.db2.gz XAMQQTBKESNEFK-RBUKOAKNSA-N 1 3 357.523 3.482 20 0 FGADHO Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666893699 720995945 /nfs/dbraw/zinc/99/59/45/720995945.db2.gz SGHQCEJWLJIYEL-AWEZNQCLSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666893699 720995947 /nfs/dbraw/zinc/99/59/47/720995947.db2.gz SGHQCEJWLJIYEL-AWEZNQCLSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000667169636 721044486 /nfs/dbraw/zinc/04/44/86/721044486.db2.gz NDEAKLGPKQBCJZ-HNNXBMFYSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000667169636 721044493 /nfs/dbraw/zinc/04/44/93/721044493.db2.gz NDEAKLGPKQBCJZ-HNNXBMFYSA-N 1 3 354.926 3.350 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908306 722412360 /nfs/dbraw/zinc/41/23/60/722412360.db2.gz QJNMMPWADTVEHI-FJIDUMEYSA-N 1 3 351.535 3.094 20 0 FGADHO CN1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458766 722413164 /nfs/dbraw/zinc/41/31/64/722413164.db2.gz OFBJUYLKQVHILF-XSLAGTTESA-N 1 3 351.535 3.096 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486865 722413186 /nfs/dbraw/zinc/41/31/86/722413186.db2.gz NWJIFFHXSJMTOS-XSLAGTTESA-N 1 3 351.535 3.096 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725209 /nfs/dbraw/zinc/72/52/09/722725209.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 1 3 368.949 3.441 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725212 /nfs/dbraw/zinc/72/52/12/722725212.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 1 3 368.949 3.441 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000790747473 723173078 /nfs/dbraw/zinc/17/30/78/723173078.db2.gz DLVAMJRPFFSWBJ-QGZVFWFLSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000790748127 723173209 /nfs/dbraw/zinc/17/32/09/723173209.db2.gz JUSXWLWPLCNWIM-SJORKVTESA-N 1 3 353.551 3.391 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766273316 723565665 /nfs/dbraw/zinc/56/56/65/723565665.db2.gz OZQFQDNADCOQHK-UONOGXRCSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766273316 723565661 /nfs/dbraw/zinc/56/56/61/723565661.db2.gz OZQFQDNADCOQHK-UONOGXRCSA-N 1 3 368.319 3.240 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281171 723629964 /nfs/dbraw/zinc/62/99/64/723629964.db2.gz IKMKDVHSBFMHQC-ADKAHSJRSA-N 1 3 353.551 3.390 20 0 FGADHO C[NH+]1CCC2(CCCN(Cc3ccc(OCC(F)(F)F)nc3)C2)CC1 ZINC000799176731 723994976 /nfs/dbraw/zinc/99/49/76/723994976.db2.gz AGASICKVDNACIA-UHFFFAOYSA-N 1 3 357.420 3.331 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699073 729299647 /nfs/dbraw/zinc/29/96/47/729299647.db2.gz ZUDPOVAXFHZTKF-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103213 729424332 /nfs/dbraw/zinc/42/43/32/729424332.db2.gz GUILKUUOSWDOMA-WBVHZDCISA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103213 729424333 /nfs/dbraw/zinc/42/43/33/729424333.db2.gz GUILKUUOSWDOMA-WBVHZDCISA-N 1 3 366.937 3.204 20 0 FGADHO Cc1ccc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)c(CN(C)C)c1 ZINC000829612329 729495482 /nfs/dbraw/zinc/49/54/82/729495482.db2.gz GPIREORIJKXVFE-INIZCTEOSA-N 1 3 360.889 3.442 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513342 729808796 /nfs/dbraw/zinc/80/87/96/729808796.db2.gz KYBYIXLCGXZHLA-BDXSIMOUSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513342 729808798 /nfs/dbraw/zinc/80/87/98/729808798.db2.gz KYBYIXLCGXZHLA-BDXSIMOUSA-N 1 3 351.535 3.381 20 0 FGADHO C[NH+](C)CCCCNCc1cc(OC(F)F)ccc1Br ZINC000842673268 730528841 /nfs/dbraw/zinc/52/88/41/730528841.db2.gz LARLIQCGGWNFPC-UHFFFAOYSA-N 1 3 351.235 3.482 20 0 FGADHO Cc1ccsc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849075885 731226393 /nfs/dbraw/zinc/22/63/93/731226393.db2.gz VIILXLSQIAVEPN-UHFFFAOYSA-N 1 3 356.539 3.378 20 0 FGADHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC(OC)CC2)cc1Cl ZINC000849102073 731229343 /nfs/dbraw/zinc/22/93/43/731229343.db2.gz RMFFOJFJCHCCBY-UHFFFAOYSA-N 1 3 368.909 3.174 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230736 733327033 /nfs/dbraw/zinc/32/70/33/733327033.db2.gz APQWSFQAQSQZDA-AWEZNQCLSA-N 1 3 350.894 3.159 20 0 FGADHO CC1(C)CC[C@H](CNC2CCN(C(=O)c3ccccc3Cl)CC2)[NH2+]C1 ZINC000873234549 735741881 /nfs/dbraw/zinc/74/18/81/735741881.db2.gz GHUAXLXBKMYUCI-MRXNPFEDSA-N 1 3 363.933 3.312 20 0 FGADHO FC(F)(F)C(F)(F)OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283610 735746471 /nfs/dbraw/zinc/74/64/71/735746471.db2.gz XSFOTWYZLMLAMP-TZMCWYRMSA-N 1 3 366.330 3.004 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454899 742285707 /nfs/dbraw/zinc/28/57/07/742285707.db2.gz BRVMVSOVWWYBPD-JONQDZQNSA-N 1 3 364.452 3.217 20 0 FGADHO Cc1cccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765132 743881370 /nfs/dbraw/zinc/88/13/70/743881370.db2.gz YPVWKDFUVIROFO-BHYGNILZSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000904392056 743951545 /nfs/dbraw/zinc/95/15/45/743951545.db2.gz LZUCZWLSJLEZDZ-ZDUSSCGKSA-N 1 3 360.832 3.271 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391533 758911555 /nfs/dbraw/zinc/91/15/55/758911555.db2.gz WIYVYWQAORYLRH-AHCXZYCDSA-N 1 3 372.340 3.145 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391533 758911556 /nfs/dbraw/zinc/91/15/56/758911556.db2.gz WIYVYWQAORYLRH-AHCXZYCDSA-N 1 3 372.340 3.145 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395339 758913775 /nfs/dbraw/zinc/91/37/75/758913775.db2.gz VMRVIQOTTLAANZ-RWQQGDIJSA-N 1 3 356.432 3.063 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395339 758913781 /nfs/dbraw/zinc/91/37/81/758913781.db2.gz VMRVIQOTTLAANZ-RWQQGDIJSA-N 1 3 356.432 3.063 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925531424 759501422 /nfs/dbraw/zinc/50/14/22/759501422.db2.gz ZEICNWRCYWBKGC-KBPBESRZSA-N 1 3 353.894 3.173 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858192 759561851 /nfs/dbraw/zinc/56/18/51/759561851.db2.gz UGSHVUZBRTYEIK-OLZOCXBDSA-N 1 3 356.388 3.041 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879517 759836800 /nfs/dbraw/zinc/83/68/00/759836800.db2.gz LJLXLLZRMRGDGK-QKMNUUQDSA-N 1 3 363.933 3.182 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879517 759836808 /nfs/dbraw/zinc/83/68/08/759836808.db2.gz LJLXLLZRMRGDGK-QKMNUUQDSA-N 1 3 363.933 3.182 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881105 759836917 /nfs/dbraw/zinc/83/69/17/759836917.db2.gz SPHUJNBLWXGACN-NIMBFUQJSA-N 1 3 363.933 3.182 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881105 759836924 /nfs/dbraw/zinc/83/69/24/759836924.db2.gz SPHUJNBLWXGACN-NIMBFUQJSA-N 1 3 363.933 3.182 20 0 FGADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563095 /nfs/dbraw/zinc/56/30/95/764563095.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 1 3 361.555 3.010 20 0 FGADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563099 /nfs/dbraw/zinc/56/30/99/764563099.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 1 3 361.555 3.010 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293514841 257379770 /nfs/dbraw/zinc/37/97/70/257379770.db2.gz CKXLIGVAUSXFMC-INIZCTEOSA-N 1 3 374.529 3.143 20 0 FGADHO C[C@@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000567980256 505588510 /nfs/dbraw/zinc/58/85/10/505588510.db2.gz VYDJMBGWZCTWIR-SFHVURJKSA-N 1 3 372.557 3.172 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Sc2ccccn2)o1 ZINC000579624571 505589302 /nfs/dbraw/zinc/58/93/02/505589302.db2.gz MEBCNHDZRGYGQA-UHFFFAOYSA-N 1 3 374.554 3.284 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000567982800 505589725 /nfs/dbraw/zinc/58/97/25/505589725.db2.gz RRNCUDJBCDSJLO-QKNQBKEWSA-N 1 3 373.516 3.028 20 0 FGADHO c1ccc2c(c1)O[C@H](CN[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843792 505593458 /nfs/dbraw/zinc/59/34/58/505593458.db2.gz TYSRXJGZBBOBKY-KUDFPVQQSA-N 1 3 368.502 3.385 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045791 505603118 /nfs/dbraw/zinc/60/31/18/505603118.db2.gz JEQHVVPYDVNDLI-PKOBYXMFSA-N 1 3 363.571 3.211 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045791 505603120 /nfs/dbraw/zinc/60/31/20/505603120.db2.gz JEQHVVPYDVNDLI-PKOBYXMFSA-N 1 3 363.571 3.211 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000573729558 505605953 /nfs/dbraw/zinc/60/59/53/505605953.db2.gz IILGLUDIRCGKKQ-QETWGEEDSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4C[C@H]3C)CC2)CC1 ZINC000568199679 505641452 /nfs/dbraw/zinc/64/14/52/505641452.db2.gz FLOWAPBGVYRLMA-VGOFRKELSA-N 1 3 369.553 3.232 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CNCc2ccccc21 ZINC000568259555 505654725 /nfs/dbraw/zinc/65/47/25/505654725.db2.gz CXNZGFWARJOPDQ-QFIPXVFZSA-N 1 3 363.505 3.176 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000577059420 505654787 /nfs/dbraw/zinc/65/47/87/505654787.db2.gz OQOQWDAMSREVIJ-NRFANRHFSA-N 1 3 351.494 3.032 20 0 FGADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000068887222 493889474 /nfs/dbraw/zinc/88/94/74/493889474.db2.gz SGQZSJQZSGRMTI-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017371 /nfs/dbraw/zinc/01/73/71/494017371.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017374 /nfs/dbraw/zinc/01/73/74/494017374.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203506 494032330 /nfs/dbraw/zinc/03/23/30/494032330.db2.gz KUFOCUZCLVUHMT-QGZVFWFLSA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203506 494032335 /nfs/dbraw/zinc/03/23/35/494032335.db2.gz KUFOCUZCLVUHMT-QGZVFWFLSA-N 1 3 371.529 3.058 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000084411653 494071486 /nfs/dbraw/zinc/07/14/86/494071486.db2.gz SBYYKGPJSMMAGL-UHFFFAOYSA-N 1 3 366.575 3.131 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000577270831 505698100 /nfs/dbraw/zinc/69/81/00/505698100.db2.gz MDHNPADKDKGGCI-OALUTQOASA-N 1 3 350.466 3.034 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000577270831 505698103 /nfs/dbraw/zinc/69/81/03/505698103.db2.gz MDHNPADKDKGGCI-OALUTQOASA-N 1 3 350.466 3.034 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362788 494116506 /nfs/dbraw/zinc/11/65/06/494116506.db2.gz CCRDKECQMCLKQR-HBFSDRIKSA-N 1 3 374.573 3.315 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365688 494117478 /nfs/dbraw/zinc/11/74/78/494117478.db2.gz RPWOBXRMFFYOQS-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000085400893 494121084 /nfs/dbraw/zinc/12/10/84/494121084.db2.gz YNHUBPCPPRHFJE-JBACZVJFSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000085400893 494121088 /nfs/dbraw/zinc/12/10/88/494121088.db2.gz YNHUBPCPPRHFJE-JBACZVJFSA-N 1 3 372.557 3.114 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145631 /nfs/dbraw/zinc/14/56/31/494145631.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145636 /nfs/dbraw/zinc/14/56/36/494145636.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000065470284 494201195 /nfs/dbraw/zinc/20/11/95/494201195.db2.gz YDMJVUARYSKQST-LJQANCHMSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000065522201 494208567 /nfs/dbraw/zinc/20/85/67/494208567.db2.gz QOOUNNPAJXJRMB-QUCCMNQESA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000065542139 494212075 /nfs/dbraw/zinc/21/20/75/494212075.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 1 3 374.573 3.176 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000065542139 494212078 /nfs/dbraw/zinc/21/20/78/494212078.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 1 3 374.573 3.176 20 0 FGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000078625608 494333083 /nfs/dbraw/zinc/33/30/83/494333083.db2.gz IZZBOAMMAOSGLI-WFXMLNOXSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000073406175 494367183 /nfs/dbraw/zinc/36/71/83/494367183.db2.gz TWTTXBUKMLTDOC-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO C[NH+]1CCC(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000073470946 494374477 /nfs/dbraw/zinc/37/44/77/494374477.db2.gz WPTOVWVDYKWFIX-UHFFFAOYSA-N 1 3 363.933 3.106 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000073897396 494443745 /nfs/dbraw/zinc/44/37/45/494443745.db2.gz AJYSSVBOMLOWFD-HXUWFJFHSA-N 1 3 360.546 3.019 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N(C)C)cc1 ZINC000079572701 494484321 /nfs/dbraw/zinc/48/43/21/494484321.db2.gz WOZSDYLDHFNTTI-NRFANRHFSA-N 1 3 374.573 3.225 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000079617336 494494031 /nfs/dbraw/zinc/49/40/31/494494031.db2.gz TYLJWZDXDOOMAJ-UHFFFAOYSA-N 1 3 360.546 3.010 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000079617336 494494033 /nfs/dbraw/zinc/49/40/33/494494033.db2.gz TYLJWZDXDOOMAJ-UHFFFAOYSA-N 1 3 360.546 3.010 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000074228243 494502194 /nfs/dbraw/zinc/50/21/94/494502194.db2.gz GIAPDOSCNHVGCF-HZPDHXFCSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000074228243 494502198 /nfs/dbraw/zinc/50/21/98/494502198.db2.gz GIAPDOSCNHVGCF-HZPDHXFCSA-N 1 3 357.498 3.345 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055568 494577775 /nfs/dbraw/zinc/57/77/75/494577775.db2.gz SHLIEIQVHQUJBG-CTNGQTDRSA-N 1 3 374.573 3.458 20 0 FGADHO Cc1cccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000115675728 494592923 /nfs/dbraw/zinc/59/29/23/494592923.db2.gz VFTWUSNVUJGTMH-GOSISDBHSA-N 1 3 372.557 3.222 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080166432 494621179 /nfs/dbraw/zinc/62/11/79/494621179.db2.gz ONZNUTMCLJUZJK-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856591 494625302 /nfs/dbraw/zinc/62/53/02/494625302.db2.gz OAGFPFSDZWMQFI-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608523 505735477 /nfs/dbraw/zinc/73/54/77/505735477.db2.gz DLYUKVOIVNGIPG-NVXWUHKLSA-N 1 3 364.559 3.092 20 0 FGADHO COC(=O)c1ccc(CN(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000091829256 494694888 /nfs/dbraw/zinc/69/48/88/494694888.db2.gz VIFOVQGTGMQDFV-UHFFFAOYSA-N 1 3 356.466 3.046 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000121372271 494726179 /nfs/dbraw/zinc/72/61/79/494726179.db2.gz AIWLPQMSEYHIHU-OALUTQOASA-N 1 3 374.573 3.393 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000121372271 494726184 /nfs/dbraw/zinc/72/61/84/494726184.db2.gz AIWLPQMSEYHIHU-OALUTQOASA-N 1 3 374.573 3.393 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108549577 494736610 /nfs/dbraw/zinc/73/66/10/494736610.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108549577 494736621 /nfs/dbraw/zinc/73/66/21/494736621.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410841 494759769 /nfs/dbraw/zinc/75/97/69/494759769.db2.gz QZYBUAZXRYITQL-TZIWHRDSSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410841 494759777 /nfs/dbraw/zinc/75/97/77/494759777.db2.gz QZYBUAZXRYITQL-TZIWHRDSSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821536 494762986 /nfs/dbraw/zinc/76/29/86/494762986.db2.gz PEBIVABXTLVNPP-OALUTQOASA-N 1 3 372.557 3.409 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)COc1ccccc1 ZINC000092821311 494763314 /nfs/dbraw/zinc/76/33/14/494763314.db2.gz RFTFVGZTOVCCSU-NRFANRHFSA-N 1 3 369.509 3.060 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)COc1ccccc1 ZINC000092821311 494763321 /nfs/dbraw/zinc/76/33/21/494763321.db2.gz RFTFVGZTOVCCSU-NRFANRHFSA-N 1 3 369.509 3.060 20 0 FGADHO CCN(Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1)C1CC1 ZINC000080718362 494776573 /nfs/dbraw/zinc/77/65/73/494776573.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 1 3 355.526 3.416 20 0 FGADHO CCN(Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1)C1CC1 ZINC000080718362 494776576 /nfs/dbraw/zinc/77/65/76/494776576.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 1 3 355.526 3.416 20 0 FGADHO CC[N@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000116433863 494784911 /nfs/dbraw/zinc/78/49/11/494784911.db2.gz NXEWJYYQVBEHPV-SFHVURJKSA-N 1 3 360.546 3.242 20 0 FGADHO CC[N@@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000116433863 494784917 /nfs/dbraw/zinc/78/49/17/494784917.db2.gz NXEWJYYQVBEHPV-SFHVURJKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000116435237 494786747 /nfs/dbraw/zinc/78/67/47/494786747.db2.gz TTZXIIMSKRVHOM-QGZVFWFLSA-N 1 3 370.541 3.138 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000047884087 494788520 /nfs/dbraw/zinc/78/85/20/494788520.db2.gz DNMGWHUEZWTLDQ-GOSISDBHSA-N 1 3 366.575 3.303 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121526384 494791683 /nfs/dbraw/zinc/79/16/83/494791683.db2.gz QDVJDEPJDHHTPE-BDTNDASRSA-N 1 3 370.537 3.454 20 0 FGADHO CCN(C(=O)CN1CCC(CC[NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000121619234 494822258 /nfs/dbraw/zinc/82/22/58/494822258.db2.gz RGTJNCZIEYNDQL-QGZVFWFLSA-N 1 3 363.521 3.399 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852402 494849362 /nfs/dbraw/zinc/84/93/62/494849362.db2.gz GBJLAPZGWMNJIG-DZGCQCFKSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852402 494849367 /nfs/dbraw/zinc/84/93/67/494849367.db2.gz GBJLAPZGWMNJIG-DZGCQCFKSA-N 1 3 373.310 3.476 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746202 /nfs/dbraw/zinc/74/62/02/505746202.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 1 3 350.462 3.369 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746206 /nfs/dbraw/zinc/74/62/06/505746206.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 1 3 350.462 3.369 20 0 FGADHO Fc1ccccc1-c1n[nH]cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735052 494914464 /nfs/dbraw/zinc/91/44/64/494914464.db2.gz WHFFBWWGZAQBTO-UHFFFAOYSA-N 1 3 372.488 3.293 20 0 FGADHO CCn1nc(C)c(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844294 494926978 /nfs/dbraw/zinc/92/69/78/494926978.db2.gz BTCCQKZDQRXVPB-IRXDYDNUSA-N 1 3 362.562 3.231 20 0 FGADHO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(OCCN(C)C)c1 ZINC000132850033 494932448 /nfs/dbraw/zinc/93/24/48/494932448.db2.gz NLGYMYNJKBYHDB-KRWDZBQOSA-N 1 3 373.566 3.397 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041398 494959965 /nfs/dbraw/zinc/95/99/65/494959965.db2.gz YTYJCPJBCZYHGF-MSOLQXFVSA-N 1 3 354.498 3.024 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097275 494968675 /nfs/dbraw/zinc/96/86/75/494968675.db2.gz MJCDXIOSRVLDTQ-GJZGRUSLSA-N 1 3 354.441 3.440 20 0 FGADHO C[C@@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccc(F)cc1 ZINC000127860885 495009242 /nfs/dbraw/zinc/00/92/42/495009242.db2.gz VPSUSKUDWAVBLD-INIZCTEOSA-N 1 3 357.473 3.010 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007389 495029945 /nfs/dbraw/zinc/02/99/45/495029945.db2.gz VTKXFVXVDORZFW-OCCSQVGLSA-N 1 3 358.313 3.231 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122808258 495034619 /nfs/dbraw/zinc/03/46/19/495034619.db2.gz BUIBQEINTDFENB-FHWLQOOXSA-N 1 3 372.557 3.337 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144347 495062005 /nfs/dbraw/zinc/06/20/05/495062005.db2.gz ZLWCPCNMKOBCDV-WMLDXEAASA-N 1 3 355.320 3.193 20 0 FGADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)Cc1ccccc1 ZINC000111445476 495075320 /nfs/dbraw/zinc/07/53/20/495075320.db2.gz UWJYWLPFRADPHP-MRXNPFEDSA-N 1 3 360.546 3.115 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000123192660 495094894 /nfs/dbraw/zinc/09/48/94/495094894.db2.gz XZFKSRFYLYUPSW-QGZVFWFLSA-N 1 3 354.922 3.134 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000134150558 495113055 /nfs/dbraw/zinc/11/30/55/495113055.db2.gz OZGCEEPQXLMEGO-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000134150558 495113059 /nfs/dbraw/zinc/11/30/59/495113059.db2.gz OZGCEEPQXLMEGO-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112742453 495233667 /nfs/dbraw/zinc/23/36/67/495233667.db2.gz AOIYTIYGQCDQIK-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112742453 495233673 /nfs/dbraw/zinc/23/36/73/495233673.db2.gz AOIYTIYGQCDQIK-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO Cc1sc([C@@H](C)NCCN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000568749288 505769402 /nfs/dbraw/zinc/76/94/02/505769402.db2.gz PYECXVJGLMTUSW-CYBMUJFWSA-N 1 3 364.946 3.328 20 0 FGADHO COC[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112985382 495264315 /nfs/dbraw/zinc/26/43/15/495264315.db2.gz YEPOFGYSAPNOBW-PMACEKPBSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112985382 495264316 /nfs/dbraw/zinc/26/43/16/495264316.db2.gz YEPOFGYSAPNOBW-PMACEKPBSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000124707669 495330945 /nfs/dbraw/zinc/33/09/45/495330945.db2.gz PPRFQTCKYFSKKE-SFHVURJKSA-N 1 3 373.541 3.059 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)CC2CCC2)CC1 ZINC000114455665 495376293 /nfs/dbraw/zinc/37/62/93/495376293.db2.gz GWOYBBLEKGQQDE-UHFFFAOYSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2CCc2ccccc2)CC1 ZINC000114455412 495377012 /nfs/dbraw/zinc/37/70/12/495377012.db2.gz HVYAMUWBXHWJAZ-NRFANRHFSA-N 1 3 357.542 3.073 20 0 FGADHO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000130465884 495395734 /nfs/dbraw/zinc/39/57/34/495395734.db2.gz BEJZOMXUDMTHDY-LAUBAEHRSA-N 1 3 371.525 3.412 20 0 FGADHO CCn1cc([C@@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000125322881 495425967 /nfs/dbraw/zinc/42/59/67/495425967.db2.gz DKRMWZKEYCBUTP-HXUWFJFHSA-N 1 3 369.557 3.464 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000125434424 495444352 /nfs/dbraw/zinc/44/43/52/495444352.db2.gz VYUGKEDUVREQTD-MNLRITNHSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125728886 495488947 /nfs/dbraw/zinc/48/89/47/495488947.db2.gz YWXHKOFFUBXIKH-LSDHHAIUSA-N 1 3 352.910 3.162 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125728886 495488950 /nfs/dbraw/zinc/48/89/50/495488950.db2.gz YWXHKOFFUBXIKH-LSDHHAIUSA-N 1 3 352.910 3.162 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125728886 495488952 /nfs/dbraw/zinc/48/89/52/495488952.db2.gz YWXHKOFFUBXIKH-LSDHHAIUSA-N 1 3 352.910 3.162 20 0 FGADHO CCN(CC)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000145208719 495554451 /nfs/dbraw/zinc/55/44/51/495554451.db2.gz OOXWJLBXFWQHBE-UHFFFAOYSA-N 1 3 353.510 3.373 20 0 FGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566841 /nfs/dbraw/zinc/56/68/41/495566841.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 1 3 358.574 3.250 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000574516954 505790593 /nfs/dbraw/zinc/79/05/93/505790593.db2.gz LHUYMTVZFFPWRX-IFMALSPDSA-N 1 3 372.557 3.372 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000179469204 495603813 /nfs/dbraw/zinc/60/38/13/495603813.db2.gz MGNAEJHLEAOKKI-QGZVFWFLSA-N 1 3 362.481 3.230 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154397067 495604656 /nfs/dbraw/zinc/60/46/56/495604656.db2.gz FWSXQYVQZTXYQU-INIZCTEOSA-N 1 3 373.570 3.192 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000154437581 495616032 /nfs/dbraw/zinc/61/60/32/495616032.db2.gz QWOXHFPERPRLFG-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158983846 495630687 /nfs/dbraw/zinc/63/06/87/495630687.db2.gz OQHPYPOCZQPTRX-SFHVURJKSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000154503895 495637330 /nfs/dbraw/zinc/63/73/30/495637330.db2.gz FRLXSYLRSUJOQD-GOSISDBHSA-N 1 3 358.530 3.021 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602553 505794236 /nfs/dbraw/zinc/79/42/36/505794236.db2.gz JYPNHYJLZHBADH-WWPVKYPJSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602553 505794240 /nfs/dbraw/zinc/79/42/40/505794240.db2.gz JYPNHYJLZHBADH-WWPVKYPJSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568858007 505794917 /nfs/dbraw/zinc/79/49/17/505794917.db2.gz YREKXBIURKFRAE-OPYAIIAOSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568858007 505794920 /nfs/dbraw/zinc/79/49/20/505794920.db2.gz YREKXBIURKFRAE-OPYAIIAOSA-N 1 3 374.550 3.469 20 0 FGADHO COc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1SC ZINC000150986667 495703614 /nfs/dbraw/zinc/70/36/14/495703614.db2.gz IAPSVRFVTZFMQB-OAHLLOKOSA-N 1 3 351.560 3.094 20 0 FGADHO CCC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccnc1 ZINC000186060170 495840781 /nfs/dbraw/zinc/84/07/81/495840781.db2.gz KOZHQRYJSHXQMR-FQEVSTJZSA-N 1 3 354.498 3.004 20 0 FGADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132570 495848122 /nfs/dbraw/zinc/84/81/22/495848122.db2.gz VYFWVFOZMZFIJX-ZIBCJSCZSA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132570 495848125 /nfs/dbraw/zinc/84/81/25/495848125.db2.gz VYFWVFOZMZFIJX-ZIBCJSCZSA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132570 495848130 /nfs/dbraw/zinc/84/81/30/495848130.db2.gz VYFWVFOZMZFIJX-ZIBCJSCZSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000171435882 495872008 /nfs/dbraw/zinc/87/20/08/495872008.db2.gz YEXKXENMLQEAAZ-PKOBYXMFSA-N 1 3 364.578 3.059 20 0 FGADHO CC(C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000171435862 495872480 /nfs/dbraw/zinc/87/24/80/495872480.db2.gz YEXKXENMLQEAAZ-MJGOQNOKSA-N 1 3 364.578 3.059 20 0 FGADHO Cc1ncsc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000174258147 495884183 /nfs/dbraw/zinc/88/41/83/495884183.db2.gz GINRYIOBJBFXPU-UHFFFAOYSA-N 1 3 358.555 3.452 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000186271404 495922591 /nfs/dbraw/zinc/92/25/91/495922591.db2.gz YQRZXDLKTCBQDI-NRFANRHFSA-N 1 3 372.557 3.069 20 0 FGADHO CCC[C@H]1[C@@H](C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467686 495972339 /nfs/dbraw/zinc/97/23/39/495972339.db2.gz ZJMWXHBMHLWPQU-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1CCCCCC1 ZINC000155663261 496028654 /nfs/dbraw/zinc/02/86/54/496028654.db2.gz CPYVWCBFEZFJOQ-QGZVFWFLSA-N 1 3 358.530 3.396 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C)sc2C)CC1 ZINC000172431918 496295710 /nfs/dbraw/zinc/29/57/10/496295710.db2.gz UYYKXFAXVHAINJ-UHFFFAOYSA-N 1 3 365.587 3.425 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178033800 496296479 /nfs/dbraw/zinc/29/64/79/496296479.db2.gz AEZNJUXZZSOCFY-YESZJQIVSA-N 1 3 365.493 3.022 20 0 FGADHO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(OCCN(C)C)c1 ZINC000178233003 496379759 /nfs/dbraw/zinc/37/97/59/496379759.db2.gz LXGCISSUHSWLKN-KRWDZBQOSA-N 1 3 354.494 3.455 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178289775 496399569 /nfs/dbraw/zinc/39/95/69/496399569.db2.gz INDGECGLOOWICG-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)CNC1(c2ccccc2)CCC1)c1ccccc1 ZINC000184596485 496457150 /nfs/dbraw/zinc/45/71/50/496457150.db2.gz OVTKUIVQZWMESZ-FQEVSTJZSA-N 1 3 351.494 3.075 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000157452518 496479876 /nfs/dbraw/zinc/47/98/76/496479876.db2.gz YPKOKVACMQTXJV-UHFFFAOYSA-N 1 3 374.573 3.400 20 0 FGADHO CSC1(CNCc2nc3cc(Cl)ccc3n2C)CC[NH+](C)CC1 ZINC000571929444 505847645 /nfs/dbraw/zinc/84/76/45/505847645.db2.gz HSOCVEHIFMKHIO-UHFFFAOYSA-N 1 3 352.935 3.144 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181691835 496505626 /nfs/dbraw/zinc/50/56/26/496505626.db2.gz UVTQYSSQKIULKT-ROUUACIJSA-N 1 3 368.562 3.320 20 0 FGADHO CC(C)N(C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000184740421 496513939 /nfs/dbraw/zinc/51/39/39/496513939.db2.gz DHJMNRYDTIEDNC-OALUTQOASA-N 1 3 359.558 3.378 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665106 496525417 /nfs/dbraw/zinc/52/54/17/496525417.db2.gz DMBZTJBPBBBQOQ-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665106 496525422 /nfs/dbraw/zinc/52/54/22/496525422.db2.gz DMBZTJBPBBBQOQ-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000163579773 496533783 /nfs/dbraw/zinc/53/37/83/496533783.db2.gz AWXQBAWFVYUSLA-KRWDZBQOSA-N 1 3 364.497 3.355 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCS2 ZINC000187750548 496556092 /nfs/dbraw/zinc/55/60/92/496556092.db2.gz LKCYBOLYAFQALF-LJQANCHMSA-N 1 3 363.571 3.238 20 0 FGADHO O[C@H](COc1ccccc1F)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178918163 496616253 /nfs/dbraw/zinc/61/62/53/496616253.db2.gz XWUITYPHORPBLL-IBGZPJMESA-N 1 3 364.505 3.153 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960599 505855584 /nfs/dbraw/zinc/85/55/84/505855584.db2.gz PAIKRGVLVOPWOC-WWPVKYPJSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960599 505855587 /nfs/dbraw/zinc/85/55/87/505855587.db2.gz PAIKRGVLVOPWOC-WWPVKYPJSA-N 1 3 352.522 3.399 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178981935 496635680 /nfs/dbraw/zinc/63/56/80/496635680.db2.gz QTAJEHAHOHIPHX-HNNXBMFYSA-N 1 3 366.347 3.127 20 0 FGADHO CN1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093068 496672741 /nfs/dbraw/zinc/67/27/41/496672741.db2.gz BXPHPYJJPGRYAX-ZWKOTPCHSA-N 1 3 358.530 3.040 20 0 FGADHO CC1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000182138054 496685579 /nfs/dbraw/zinc/68/55/79/496685579.db2.gz YNHMTBYXDJXTFP-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155875 496691498 /nfs/dbraw/zinc/69/14/98/496691498.db2.gz ZKWADCMPYIHWMF-JHVJFLLYSA-N 1 3 359.514 3.064 20 0 FGADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258921 496722239 /nfs/dbraw/zinc/72/22/39/496722239.db2.gz OIGOEJIPSGCMMQ-FCHUYYIVSA-N 1 3 366.505 3.429 20 0 FGADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258921 496722242 /nfs/dbraw/zinc/72/22/42/496722242.db2.gz OIGOEJIPSGCMMQ-FCHUYYIVSA-N 1 3 366.505 3.429 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408337 496753326 /nfs/dbraw/zinc/75/33/26/496753326.db2.gz KWXSTAPGRNAQKT-HXUWFJFHSA-N 1 3 373.541 3.011 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408337 496753329 /nfs/dbraw/zinc/75/33/29/496753329.db2.gz KWXSTAPGRNAQKT-HXUWFJFHSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748871 496772899 /nfs/dbraw/zinc/77/28/99/496772899.db2.gz GUQQNHDWJYHMIC-JXFKEZNVSA-N 1 3 352.482 3.320 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748871 496772901 /nfs/dbraw/zinc/77/29/01/496772901.db2.gz GUQQNHDWJYHMIC-JXFKEZNVSA-N 1 3 352.482 3.320 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247118988 496784239 /nfs/dbraw/zinc/78/42/39/496784239.db2.gz AIZQWVWNSDFOFB-GUXCAODWSA-N 1 3 351.485 3.249 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247118988 496784245 /nfs/dbraw/zinc/78/42/45/496784245.db2.gz AIZQWVWNSDFOFB-GUXCAODWSA-N 1 3 351.485 3.249 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000191571456 496817110 /nfs/dbraw/zinc/81/71/10/496817110.db2.gz MZBWNPZXVMHCHN-UHFFFAOYSA-N 1 3 369.557 3.158 20 0 FGADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000191574898 496818243 /nfs/dbraw/zinc/81/82/43/496818243.db2.gz RPRFUHHTOGGPCY-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO CN(c1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1)C1CCN(C)CC1 ZINC000268996292 496844728 /nfs/dbraw/zinc/84/47/28/496844728.db2.gz XSALJAXRLJSYMO-IBGZPJMESA-N 1 3 357.542 3.408 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCCN(C)C)cc1 ZINC000273615840 496854298 /nfs/dbraw/zinc/85/42/98/496854298.db2.gz XJSUAHXKVNSTLW-RTBURBONSA-N 1 3 352.544 3.011 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264394136 496890557 /nfs/dbraw/zinc/89/05/57/496890557.db2.gz AKRLYJIOELJHQB-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO CCc1cccc(CN2CCC(C(=O)NCCC[NH+](CC)CC)CC2)c1 ZINC000188765797 496902134 /nfs/dbraw/zinc/90/21/34/496902134.db2.gz PPDIVHYKONLALT-UHFFFAOYSA-N 1 3 359.558 3.309 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121914 496956253 /nfs/dbraw/zinc/95/62/53/496956253.db2.gz NMGCXNJJQZBSOI-ZJOUEHCJSA-N 1 3 359.558 3.206 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184684 496970336 /nfs/dbraw/zinc/97/03/36/496970336.db2.gz XBOBAKABPFSLPY-ZOBUZTSGSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184684 496970341 /nfs/dbraw/zinc/97/03/41/496970341.db2.gz XBOBAKABPFSLPY-ZOBUZTSGSA-N 1 3 366.347 3.348 20 0 FGADHO c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000248410867 497000974 /nfs/dbraw/zinc/00/09/74/497000974.db2.gz YPCYKCWHVFPUCA-KMQSCTNJSA-N 1 3 350.510 3.157 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000248436061 497009858 /nfs/dbraw/zinc/00/98/58/497009858.db2.gz GDJLOJCLNFIAOA-PKTZIBPZSA-N 1 3 350.506 3.364 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270066676 497051449 /nfs/dbraw/zinc/05/14/49/497051449.db2.gz GHLKIRPRSABILR-KRWDZBQOSA-N 1 3 369.509 3.298 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272913 497066624 /nfs/dbraw/zinc/06/66/24/497066624.db2.gz ZGDNUWSXWMGQAO-JYSRZZCRSA-N 1 3 369.509 3.056 20 0 FGADHO COc1cc(C)c([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352609 497083654 /nfs/dbraw/zinc/08/36/54/497083654.db2.gz AWOKRJVOIIRMND-IRXDYDNUSA-N 1 3 350.503 3.164 20 0 FGADHO COc1cc(C)c([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352609 497083661 /nfs/dbraw/zinc/08/36/61/497083661.db2.gz AWOKRJVOIIRMND-IRXDYDNUSA-N 1 3 350.503 3.164 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477426 497128130 /nfs/dbraw/zinc/12/81/30/497128130.db2.gz AQOAAQSDMCKFLK-HZPDHXFCSA-N 1 3 361.555 3.448 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236908626 497167055 /nfs/dbraw/zinc/16/70/55/497167055.db2.gz FUMMYXUNILZWJF-DYESRHJHSA-N 1 3 353.510 3.481 20 0 FGADHO Cn1c2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2sc1=O ZINC000192667287 497179458 /nfs/dbraw/zinc/17/94/58/497179458.db2.gz PRNFOMLOHATGGR-UHFFFAOYSA-N 1 3 368.506 3.001 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000189608395 497180721 /nfs/dbraw/zinc/18/07/21/497180721.db2.gz KFIXPMSECKSBOP-MRXNPFEDSA-N 1 3 364.559 3.011 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000270825153 497210414 /nfs/dbraw/zinc/21/04/14/497210414.db2.gz BVOFTIGKBKOMBH-UHFFFAOYSA-N 1 3 373.585 3.126 20 0 FGADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237325049 497220274 /nfs/dbraw/zinc/22/02/74/497220274.db2.gz MSBFXYJGXAIOMJ-JLJPHGGASA-N 1 3 371.447 3.060 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237347049 497222915 /nfs/dbraw/zinc/22/29/15/497222915.db2.gz XCLSPHCOZLLDGB-IRXDYDNUSA-N 1 3 358.530 3.157 20 0 FGADHO CCc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000189739813 497228401 /nfs/dbraw/zinc/22/84/01/497228401.db2.gz KHUNKNZQGYNNIB-UHFFFAOYSA-N 1 3 371.569 3.453 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000237536531 497252262 /nfs/dbraw/zinc/25/22/62/497252262.db2.gz YRQMACKJYZZSOF-MRXNPFEDSA-N 1 3 358.530 3.157 20 0 FGADHO C[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237613970 497263107 /nfs/dbraw/zinc/26/31/07/497263107.db2.gz XKODLLYDWXIIHS-AEFFLSMTSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000266156486 497268982 /nfs/dbraw/zinc/26/89/82/497268982.db2.gz SASDQTBFGVHHER-HNNXBMFYSA-N 1 3 363.933 3.118 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444268 497351415 /nfs/dbraw/zinc/35/14/15/497351415.db2.gz CSYMODACVFMGMF-HSALFYBXSA-N 1 3 356.510 3.400 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558917 497383473 /nfs/dbraw/zinc/38/34/73/497383473.db2.gz WLVTWIVGHCHECA-KZNAEPCWSA-N 1 3 350.503 3.330 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709843 497410469 /nfs/dbraw/zinc/41/04/69/497410469.db2.gz UNOIDRIYRVZBHI-WIYYLYMNSA-N 1 3 370.541 3.271 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000275709843 497410473 /nfs/dbraw/zinc/41/04/73/497410473.db2.gz UNOIDRIYRVZBHI-WIYYLYMNSA-N 1 3 370.541 3.271 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271892435 497481341 /nfs/dbraw/zinc/48/13/41/497481341.db2.gz SFVAKBJTRCANNM-CYBMUJFWSA-N 1 3 366.303 3.018 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312986 497523731 /nfs/dbraw/zinc/52/37/31/497523731.db2.gz CFADBXQOUBJCIP-WIYYLYMNSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231822 497527129 /nfs/dbraw/zinc/52/71/29/497527129.db2.gz GXECRVLYAWGMDS-IKCASOAWSA-N 1 3 369.553 3.167 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193971338 497536221 /nfs/dbraw/zinc/53/62/21/497536221.db2.gz PHHDAFWHLVMFTO-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394111 497549208 /nfs/dbraw/zinc/54/92/08/497549208.db2.gz ZCJKYPOTVTUFPH-JTVBLWFRSA-N 1 3 355.526 3.092 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272150343 497549676 /nfs/dbraw/zinc/54/96/76/497549676.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272150343 497549681 /nfs/dbraw/zinc/54/96/81/497549681.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262651548 497592132 /nfs/dbraw/zinc/59/21/32/497592132.db2.gz RAJSUEHUAKSNKV-SXLOBPIMSA-N 1 3 373.566 3.137 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000581162974 505923732 /nfs/dbraw/zinc/92/37/32/505923732.db2.gz HXSXUTGORYJMAT-DZFGPLHGSA-N 1 3 359.558 3.334 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000581162974 505923736 /nfs/dbraw/zinc/92/37/36/505923736.db2.gz HXSXUTGORYJMAT-DZFGPLHGSA-N 1 3 359.558 3.334 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(F)c3F)CC2)CC1 ZINC000578376157 505925935 /nfs/dbraw/zinc/92/59/35/505925935.db2.gz RXKHPJDWTPCFEL-UHFFFAOYSA-N 1 3 351.441 3.100 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442724 497736074 /nfs/dbraw/zinc/73/60/74/497736074.db2.gz IACXPCXCHFMIQT-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442724 497736081 /nfs/dbraw/zinc/73/60/81/497736081.db2.gz IACXPCXCHFMIQT-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272867534 497748528 /nfs/dbraw/zinc/74/85/28/497748528.db2.gz WBFPMQYMKPWRMJ-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246489039 497751269 /nfs/dbraw/zinc/75/12/69/497751269.db2.gz WCEYNTHKPFERNX-KSZLIROESA-N 1 3 352.567 3.011 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246489039 497751271 /nfs/dbraw/zinc/75/12/71/497751271.db2.gz WCEYNTHKPFERNX-KSZLIROESA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246559136 497774162 /nfs/dbraw/zinc/77/41/62/497774162.db2.gz ZBDGJOLBJQTWGL-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246559136 497774165 /nfs/dbraw/zinc/77/41/65/497774165.db2.gz ZBDGJOLBJQTWGL-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870337 497817724 /nfs/dbraw/zinc/81/77/24/497817724.db2.gz COHHZIMLAMQDDO-AVRDEDQJSA-N 1 3 359.558 3.227 20 0 FGADHO C[C@@H](NCCc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357377 497917083 /nfs/dbraw/zinc/91/70/83/497917083.db2.gz RMQPRXLNLIHJDV-DYESRHJHSA-N 1 3 350.510 3.397 20 0 FGADHO C[C@@H](NCCc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357377 497917088 /nfs/dbraw/zinc/91/70/88/497917088.db2.gz RMQPRXLNLIHJDV-DYESRHJHSA-N 1 3 350.510 3.397 20 0 FGADHO CSc1ccc(OC[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000572356553 505948808 /nfs/dbraw/zinc/94/88/08/505948808.db2.gz MVMUDQAQHZABGS-GOSISDBHSA-N 1 3 364.555 3.145 20 0 FGADHO COCCN(C)CC[C@@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360912 505950056 /nfs/dbraw/zinc/95/00/56/505950056.db2.gz QWARBZLADXEMST-DYESRHJHSA-N 1 3 369.509 3.146 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289162537 498040634 /nfs/dbraw/zinc/04/06/34/498040634.db2.gz DRDHOLAYSMIPNI-BHIYHBOVSA-N 1 3 358.482 3.062 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289162537 498040640 /nfs/dbraw/zinc/04/06/40/498040640.db2.gz DRDHOLAYSMIPNI-BHIYHBOVSA-N 1 3 358.482 3.062 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3cc(C)ccn3)cc2)CC1 ZINC000285505046 498110784 /nfs/dbraw/zinc/11/07/84/498110784.db2.gz CVROUUFMCNIWSN-LJQANCHMSA-N 1 3 352.526 3.378 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296666609 498144809 /nfs/dbraw/zinc/14/48/09/498144809.db2.gz VOASFAGHSPCDDB-NRFANRHFSA-N 1 3 370.541 3.140 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281753410 498257858 /nfs/dbraw/zinc/25/78/58/498257858.db2.gz WAEKZFKSHXMFAI-NQIIRXRSSA-N 1 3 370.468 3.178 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000281753410 498257863 /nfs/dbraw/zinc/25/78/63/498257863.db2.gz WAEKZFKSHXMFAI-NQIIRXRSSA-N 1 3 370.468 3.178 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990252 498261615 /nfs/dbraw/zinc/26/16/15/498261615.db2.gz GZFYWWXVFCHEGJ-ZOBUZTSGSA-N 1 3 357.498 3.321 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000281867241 498297192 /nfs/dbraw/zinc/29/71/92/498297192.db2.gz MDAKJIORWVIRGM-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000578783526 506019693 /nfs/dbraw/zinc/01/96/93/506019693.db2.gz QICSPIRCBLEQEK-UHFFFAOYSA-N 1 3 362.852 3.235 20 0 FGADHO C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000572661077 506022847 /nfs/dbraw/zinc/02/28/47/506022847.db2.gz BSBLEJKMURKVNO-INIZCTEOSA-N 1 3 352.482 3.365 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000578803236 506023430 /nfs/dbraw/zinc/02/34/30/506023430.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 1 3 358.574 3.037 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000578803236 506023433 /nfs/dbraw/zinc/02/34/33/506023433.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 1 3 358.574 3.037 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000365273122 498381965 /nfs/dbraw/zinc/38/19/65/498381965.db2.gz YSPTUYOPCINNJR-BVYCBKJFSA-N 1 3 368.525 3.160 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000365273122 498381972 /nfs/dbraw/zinc/38/19/72/498381972.db2.gz YSPTUYOPCINNJR-BVYCBKJFSA-N 1 3 368.525 3.160 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000581634126 506032651 /nfs/dbraw/zinc/03/26/51/506032651.db2.gz AMGOQHXWQLFTHG-CEWLAPEOSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000293695906 498458064 /nfs/dbraw/zinc/45/80/64/498458064.db2.gz MUAKXBSGNPVUGC-GOSISDBHSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000293695906 498458070 /nfs/dbraw/zinc/45/80/70/498458070.db2.gz MUAKXBSGNPVUGC-GOSISDBHSA-N 1 3 355.526 3.229 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000365438633 498467527 /nfs/dbraw/zinc/46/75/27/498467527.db2.gz RETOJNGBIGZLNO-UHFFFAOYSA-N 1 3 369.553 3.422 20 0 FGADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc2n1 ZINC000362252783 498481029 /nfs/dbraw/zinc/48/10/29/498481029.db2.gz BKRXTOGCGLBJQN-FQEVSTJZSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc2n1 ZINC000362252783 498481033 /nfs/dbraw/zinc/48/10/33/498481033.db2.gz BKRXTOGCGLBJQN-FQEVSTJZSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000297583935 498501482 /nfs/dbraw/zinc/50/14/82/498501482.db2.gz IQZJJEFKYXDTCB-OAQYLSRUSA-N 1 3 367.493 3.316 20 0 FGADHO COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297585701 498501641 /nfs/dbraw/zinc/50/16/41/498501641.db2.gz ITUWBDGXRUTCGZ-HRAATJIYSA-N 1 3 355.482 3.425 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297607288 498510382 /nfs/dbraw/zinc/51/03/82/498510382.db2.gz KIUREZJSWYLMJX-KRWDZBQOSA-N 1 3 360.502 3.040 20 0 FGADHO C[C@@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519749 498583094 /nfs/dbraw/zinc/58/30/94/498583094.db2.gz XMSGLBUSGOQDDP-OLMMMNRUSA-N 1 3 359.539 3.443 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061327 498644653 /nfs/dbraw/zinc/64/46/53/498644653.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061327 498644655 /nfs/dbraw/zinc/64/46/55/498644655.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 1 3 357.542 3.135 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524691 498686721 /nfs/dbraw/zinc/68/67/21/498686721.db2.gz DASURHIRSIYLBP-IBGZPJMESA-N 1 3 352.567 3.062 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000572899151 506079211 /nfs/dbraw/zinc/07/92/11/506079211.db2.gz VCNUFUZGWPLFNT-UHFFFAOYSA-N 1 3 371.569 3.458 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149329 506088411 /nfs/dbraw/zinc/08/84/11/506088411.db2.gz SZFMRPBTZBAQQI-CBQOVEMMSA-N 1 3 360.542 3.009 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149329 506088414 /nfs/dbraw/zinc/08/84/14/506088414.db2.gz SZFMRPBTZBAQQI-CBQOVEMMSA-N 1 3 360.542 3.009 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CN1CCCC1 ZINC000320702070 498808807 /nfs/dbraw/zinc/80/88/07/498808807.db2.gz INZRMFZPCWVRKN-KGLIPLIRSA-N 1 3 361.313 3.055 20 0 FGADHO CC1CC[NH+](CCC[C@H](NC[C@@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141747 498812523 /nfs/dbraw/zinc/81/25/23/498812523.db2.gz HRPXIRHVHZUFDA-SFTDATJTSA-N 1 3 364.505 3.120 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618752 498816552 /nfs/dbraw/zinc/81/65/52/498816552.db2.gz JRJIIYSERAWAJR-UEXGIBASSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618752 498816557 /nfs/dbraw/zinc/81/65/57/498816557.db2.gz JRJIIYSERAWAJR-UEXGIBASSA-N 1 3 371.529 3.055 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000570122077 506094659 /nfs/dbraw/zinc/09/46/59/506094659.db2.gz VFKRNYLIBDSVNM-WOJBJXKFSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000570122077 506094662 /nfs/dbraw/zinc/09/46/62/506094662.db2.gz VFKRNYLIBDSVNM-WOJBJXKFSA-N 1 3 374.573 3.318 20 0 FGADHO COc1cccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881272 498906231 /nfs/dbraw/zinc/90/62/31/498906231.db2.gz KESXZMJLZNDWEA-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881272 498906241 /nfs/dbraw/zinc/90/62/41/498906241.db2.gz KESXZMJLZNDWEA-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000298881272 498906246 /nfs/dbraw/zinc/90/62/46/498906246.db2.gz KESXZMJLZNDWEA-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO CC[NH+]1CCC(N(Cc2ccc(Cl)cc2-n2cncn2)C2CC2)CC1 ZINC000366429959 498924166 /nfs/dbraw/zinc/92/41/66/498924166.db2.gz LYKYWEPZLAFOJB-UHFFFAOYSA-N 1 3 359.905 3.369 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000570207694 506115319 /nfs/dbraw/zinc/11/53/19/506115319.db2.gz MHZYKLQDKFUBQX-UIFIKXQLSA-N 1 3 365.521 3.492 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000366507376 498957169 /nfs/dbraw/zinc/95/71/69/498957169.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 1 3 355.526 3.126 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000366507376 498957176 /nfs/dbraw/zinc/95/71/76/498957176.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 1 3 355.526 3.126 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@](C)(O)c1ccccc1Cl ZINC000363794963 498996721 /nfs/dbraw/zinc/99/67/21/498996721.db2.gz FHIBEAMGVUETBG-WOUAJJJCSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@](C)(O)c1ccccc1Cl ZINC000363794963 498996728 /nfs/dbraw/zinc/99/67/28/498996728.db2.gz FHIBEAMGVUETBG-WOUAJJJCSA-N 1 3 366.933 3.027 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000364051643 499100886 /nfs/dbraw/zinc/10/08/86/499100886.db2.gz KUEWVQNPEOMOOQ-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO CN(C)Cc1ccc(-c2noc(C3CC[NH+]([C@H]4CCSC4)CC3)n2)cc1 ZINC000570294535 506135256 /nfs/dbraw/zinc/13/52/56/506135256.db2.gz SWYMLFAXDJRMBT-SFHVURJKSA-N 1 3 372.538 3.483 20 0 FGADHO COCCC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000367022034 499135219 /nfs/dbraw/zinc/13/52/19/499135219.db2.gz GYTUIQOENKAHMR-PZJWPPBQSA-N 1 3 363.521 3.052 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071758 499143745 /nfs/dbraw/zinc/14/37/45/499143745.db2.gz CLPDRQPWJHGOLU-REWPJTCUSA-N 1 3 371.569 3.226 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071758 499143747 /nfs/dbraw/zinc/14/37/47/499143747.db2.gz CLPDRQPWJHGOLU-REWPJTCUSA-N 1 3 371.569 3.226 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892262 499146579 /nfs/dbraw/zinc/14/65/79/499146579.db2.gz LPEKFJOXIFFIIZ-WIYYLYMNSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892262 499146582 /nfs/dbraw/zinc/14/65/82/499146582.db2.gz LPEKFJOXIFFIIZ-WIYYLYMNSA-N 1 3 372.557 3.084 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178815 /nfs/dbraw/zinc/17/88/15/499178815.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 1 3 356.510 3.315 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178817 /nfs/dbraw/zinc/17/88/17/499178817.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 1 3 356.510 3.315 20 0 FGADHO Cc1cccn2c(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)cnc12 ZINC000370277867 499205114 /nfs/dbraw/zinc/20/51/14/499205114.db2.gz ZIPAAWGXJMTAMO-UHFFFAOYSA-N 1 3 364.493 3.406 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566063 499213295 /nfs/dbraw/zinc/21/32/95/499213295.db2.gz RMYHSYUCJSNJCR-WZYRSQIMSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566063 499213296 /nfs/dbraw/zinc/21/32/96/499213296.db2.gz RMYHSYUCJSNJCR-WZYRSQIMSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566063 499213297 /nfs/dbraw/zinc/21/32/97/499213297.db2.gz RMYHSYUCJSNJCR-WZYRSQIMSA-N 1 3 365.521 3.048 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763381 499252291 /nfs/dbraw/zinc/25/22/91/499252291.db2.gz KANMKXICPVYXIT-SJBKTWHCSA-N 1 3 355.526 3.019 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000370763845 499252727 /nfs/dbraw/zinc/25/27/27/499252727.db2.gz PWJXGYVJMUVZPB-CZTZKLFOSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000370763845 499252729 /nfs/dbraw/zinc/25/27/29/499252729.db2.gz PWJXGYVJMUVZPB-CZTZKLFOSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@H]1CN(CCOc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301595 499307421 /nfs/dbraw/zinc/30/74/21/499307421.db2.gz GIUNLJFRXJMONS-SIKLNZKXSA-N 1 3 367.537 3.176 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649616 499317251 /nfs/dbraw/zinc/31/72/51/499317251.db2.gz HCDAJYIUHZVXNU-AHRSYUTCSA-N 1 3 374.525 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649616 499317253 /nfs/dbraw/zinc/31/72/53/499317253.db2.gz HCDAJYIUHZVXNU-AHRSYUTCSA-N 1 3 374.525 3.311 20 0 FGADHO c1cc(C[C@H]2CCN(CCC[N@@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772771 499330721 /nfs/dbraw/zinc/33/07/21/499330721.db2.gz ACJIUDOMDVQNNH-DHIUTWEWSA-N 1 3 364.537 3.296 20 0 FGADHO c1cc(C[C@H]2CCN(CCC[N@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772771 499330722 /nfs/dbraw/zinc/33/07/22/499330722.db2.gz ACJIUDOMDVQNNH-DHIUTWEWSA-N 1 3 364.537 3.296 20 0 FGADHO COC1(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355629 /nfs/dbraw/zinc/35/56/29/499355629.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 1 3 358.526 3.169 20 0 FGADHO COC1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355631 /nfs/dbraw/zinc/35/56/31/499355631.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 1 3 358.526 3.169 20 0 FGADHO CCC[NH+]1CCC(N2CCN(CCCOCc3ccccc3)CC2)CC1 ZINC000371808968 499367726 /nfs/dbraw/zinc/36/77/26/499367726.db2.gz MDACDQRYTXTPLA-UHFFFAOYSA-N 1 3 359.558 3.085 20 0 FGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCc3nnc(Cc4ccccc4)n3C2)CC1 ZINC000369230436 499380435 /nfs/dbraw/zinc/38/04/35/499380435.db2.gz VDTRCZFXNQWARH-IBGZPJMESA-N 1 3 367.541 3.036 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558668 499476943 /nfs/dbraw/zinc/47/69/43/499476943.db2.gz CQIXLAWLRPWUNY-SMMRIJLZSA-N 1 3 374.525 3.170 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558668 499476944 /nfs/dbraw/zinc/47/69/44/499476944.db2.gz CQIXLAWLRPWUNY-SMMRIJLZSA-N 1 3 374.525 3.170 20 0 FGADHO CN(Cc1cc(Br)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425038 499515663 /nfs/dbraw/zinc/51/56/63/499515663.db2.gz FUOBBBSAOIRORZ-OAHLLOKOSA-N 1 3 372.376 3.111 20 0 FGADHO CC(C)[C@H](O)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000378447938 499518120 /nfs/dbraw/zinc/51/81/20/499518120.db2.gz CKSQNCGQEVKSQC-NRFANRHFSA-N 1 3 359.558 3.104 20 0 FGADHO Cc1ncc(CN2CC[C@H]([NH2+]CCCN3CCCCC3)[C@@H](C)C2)s1 ZINC000375484583 499524466 /nfs/dbraw/zinc/52/44/66/499524466.db2.gz BVDAMXZEKUBYFX-LPHOPBHVSA-N 1 3 350.576 3.128 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510726 499526028 /nfs/dbraw/zinc/52/60/28/499526028.db2.gz INNAKQAZBCWEFN-KXBFYZLASA-N 1 3 356.514 3.468 20 0 FGADHO CC(C)c1nccc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)n1 ZINC000375601197 499536852 /nfs/dbraw/zinc/53/68/52/499536852.db2.gz XJUWJHQRLGSEPA-UHFFFAOYSA-N 1 3 373.589 3.196 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388269795 499550311 /nfs/dbraw/zinc/55/03/11/499550311.db2.gz MZVARIDFYBMEQY-SFHVURJKSA-N 1 3 356.441 3.224 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765015 499553279 /nfs/dbraw/zinc/55/32/79/499553279.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 1 3 365.905 3.234 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765015 499553280 /nfs/dbraw/zinc/55/32/80/499553280.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 1 3 365.905 3.234 20 0 FGADHO NC1(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000390736900 499555148 /nfs/dbraw/zinc/55/51/48/499555148.db2.gz IYYFMGINWIQTDN-UHFFFAOYSA-N 1 3 351.494 3.077 20 0 FGADHO OC1(CNCc2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397575103 499564415 /nfs/dbraw/zinc/56/44/15/499564415.db2.gz AWVWLDKRWZWHJL-UHFFFAOYSA-N 1 3 364.411 3.221 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960960 499565517 /nfs/dbraw/zinc/56/55/17/499565517.db2.gz DZJHZXCAJIWAQY-KJXAQDMKSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960960 499565518 /nfs/dbraw/zinc/56/55/18/499565518.db2.gz DZJHZXCAJIWAQY-KJXAQDMKSA-N 1 3 368.521 3.235 20 0 FGADHO C[N@@H+]1CCCC12CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000377199009 499670191 /nfs/dbraw/zinc/67/01/91/499670191.db2.gz SGSCRZHUALCRLY-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@H+]1CCCC12CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000377199009 499670192 /nfs/dbraw/zinc/67/01/92/499670192.db2.gz SGSCRZHUALCRLY-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCCC12CC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000377199009 499670193 /nfs/dbraw/zinc/67/01/93/499670193.db2.gz SGSCRZHUALCRLY-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618228 499710982 /nfs/dbraw/zinc/71/09/82/499710982.db2.gz BVJPLSBWCXCYNA-KRWDZBQOSA-N 1 3 371.447 3.045 20 0 FGADHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377688171 499720012 /nfs/dbraw/zinc/72/00/12/499720012.db2.gz AAQYKUTWMWUXEI-HOJAQTOUSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377688171 499720014 /nfs/dbraw/zinc/72/00/14/499720014.db2.gz AAQYKUTWMWUXEI-HOJAQTOUSA-N 1 3 370.493 3.204 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc3ccccc32)CC1 ZINC000411435464 499739929 /nfs/dbraw/zinc/73/99/29/499739929.db2.gz DBYAAOWTBWPBEY-KRWDZBQOSA-N 1 3 353.510 3.479 20 0 FGADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311763 499776334 /nfs/dbraw/zinc/77/63/34/499776334.db2.gz VGSBJXYZIMFHSX-NRFANRHFSA-N 1 3 366.505 3.299 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320172 499777246 /nfs/dbraw/zinc/77/72/46/499777246.db2.gz BIAZVYKVGVDKSU-OAHLLOKOSA-N 1 3 357.523 3.296 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000414335000 499778598 /nfs/dbraw/zinc/77/85/98/499778598.db2.gz HBCDTJXIQHXTGB-LEWJYISDSA-N 1 3 355.526 3.052 20 0 FGADHO O=C([C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743573 499785498 /nfs/dbraw/zinc/78/54/98/499785498.db2.gz SJMYMCPFZJZDCV-NRFANRHFSA-N 1 3 355.526 3.117 20 0 FGADHO O=C([C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1)N1CCCC1 ZINC000411743573 499785500 /nfs/dbraw/zinc/78/55/00/499785500.db2.gz SJMYMCPFZJZDCV-NRFANRHFSA-N 1 3 355.526 3.117 20 0 FGADHO O=C([C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1)N1CCCC1 ZINC000411743573 499785501 /nfs/dbraw/zinc/78/55/01/499785501.db2.gz SJMYMCPFZJZDCV-NRFANRHFSA-N 1 3 355.526 3.117 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683485 499820463 /nfs/dbraw/zinc/82/04/63/499820463.db2.gz BGUVHNFOSZTNLF-LAUBAEHRSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683485 499820465 /nfs/dbraw/zinc/82/04/65/499820465.db2.gz BGUVHNFOSZTNLF-LAUBAEHRSA-N 1 3 351.494 3.174 20 0 FGADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414698693 499821073 /nfs/dbraw/zinc/82/10/73/499821073.db2.gz XTHGXXVDFPZZNA-IRXDYDNUSA-N 1 3 357.498 3.403 20 0 FGADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414698693 499821074 /nfs/dbraw/zinc/82/10/74/499821074.db2.gz XTHGXXVDFPZZNA-IRXDYDNUSA-N 1 3 357.498 3.403 20 0 FGADHO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738556 499825087 /nfs/dbraw/zinc/82/50/87/499825087.db2.gz PHEVJMGIKZHXQZ-QWHCGFSZSA-N 1 3 358.313 3.184 20 0 FGADHO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738556 499825088 /nfs/dbraw/zinc/82/50/88/499825088.db2.gz PHEVJMGIKZHXQZ-QWHCGFSZSA-N 1 3 358.313 3.184 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412188286 499832166 /nfs/dbraw/zinc/83/21/66/499832166.db2.gz VZJKHUWCOBFEAZ-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412188286 499832168 /nfs/dbraw/zinc/83/21/68/499832168.db2.gz VZJKHUWCOBFEAZ-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802803 499833009 /nfs/dbraw/zinc/83/30/09/499833009.db2.gz NEJLECKWFUZITO-RBUKOAKNSA-N 1 3 355.482 3.276 20 0 FGADHO CCN1CCN(c2ccccc2CNCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414806592 499833199 /nfs/dbraw/zinc/83/31/99/499833199.db2.gz HSYBTWUJTXOVKI-SFHVURJKSA-N 1 3 352.526 3.138 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851387 499838071 /nfs/dbraw/zinc/83/80/71/499838071.db2.gz JCOPKYIZMPVHKG-OAGGEKHMSA-N 1 3 351.922 3.055 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414859497 499838841 /nfs/dbraw/zinc/83/88/41/499838841.db2.gz MWRIUAQXGYGFLQ-OAHLLOKOSA-N 1 3 363.502 3.062 20 0 FGADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414928849 499845615 /nfs/dbraw/zinc/84/56/15/499845615.db2.gz NNOAWAPCQSNCRY-GOSISDBHSA-N 1 3 363.933 3.312 20 0 FGADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCCOc1ccccc1Cl ZINC000414946153 499847668 /nfs/dbraw/zinc/84/76/68/499847668.db2.gz RQLDPNQAVSQORL-AWEZNQCLSA-N 1 3 364.873 3.243 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990690 499852103 /nfs/dbraw/zinc/85/21/03/499852103.db2.gz AKQJWJVLRTUAOO-NWDGAFQWSA-N 1 3 354.285 3.181 20 0 FGADHO C[C@@H](CCCC[NH3+])NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415021431 499855650 /nfs/dbraw/zinc/85/56/50/499855650.db2.gz YOLITIZERJWUGK-LBPRGKRZSA-N 1 3 351.292 3.446 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077707 499861173 /nfs/dbraw/zinc/86/11/73/499861173.db2.gz HWPKJANFUIFPRC-WMZOPIPTSA-N 1 3 361.505 3.331 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115136 499865356 /nfs/dbraw/zinc/86/53/56/499865356.db2.gz WHLNXYOTFBXSDC-HKUYNNGSSA-N 1 3 354.441 3.049 20 0 FGADHO CCCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415121383 499866317 /nfs/dbraw/zinc/86/63/17/499866317.db2.gz GYRDGYVZWVEQJV-WIYYLYMNSA-N 1 3 362.514 3.202 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123567 499866991 /nfs/dbraw/zinc/86/69/91/499866991.db2.gz LGBXXHJWGRFFPY-AEFFLSMTSA-N 1 3 372.431 3.346 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126048 499867238 /nfs/dbraw/zinc/86/72/38/499867238.db2.gz OVCDFSAFVAYXRQ-AEFFLSMTSA-N 1 3 372.431 3.346 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000415177141 499873677 /nfs/dbraw/zinc/87/36/77/499873677.db2.gz HDQXPIFOZLNIGD-HXUWFJFHSA-N 1 3 370.497 3.229 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000415920757 499928866 /nfs/dbraw/zinc/92/88/66/499928866.db2.gz PJBLSAFJBATREH-QGZVFWFLSA-N 1 3 354.498 3.438 20 0 FGADHO CNCc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415924499 499929239 /nfs/dbraw/zinc/92/92/39/499929239.db2.gz YNOZQFRUOVEGDC-IBGZPJMESA-N 1 3 358.530 3.382 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000415930017 499929718 /nfs/dbraw/zinc/92/97/18/499929718.db2.gz ZNHYUUIHQXVVRT-JXFKEZNVSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000415931043 499930039 /nfs/dbraw/zinc/93/00/39/499930039.db2.gz LFPPUUXMLSATFY-JXFKEZNVSA-N 1 3 352.482 3.191 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415963465 499934455 /nfs/dbraw/zinc/93/44/55/499934455.db2.gz VPQRBQZMSNKJMP-OAHLLOKOSA-N 1 3 362.493 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415963465 499934456 /nfs/dbraw/zinc/93/44/56/499934456.db2.gz VPQRBQZMSNKJMP-OAHLLOKOSA-N 1 3 362.493 3.105 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415967699 499934906 /nfs/dbraw/zinc/93/49/06/499934906.db2.gz DLRMMZHYAMMBDN-UHFFFAOYSA-N 1 3 350.482 3.057 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971637 499935755 /nfs/dbraw/zinc/93/57/55/499935755.db2.gz NTBKLEOOSLQBDF-GFCCVEGCSA-N 1 3 358.408 3.160 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000415973113 499935837 /nfs/dbraw/zinc/93/58/37/499935837.db2.gz NTGVLCNOJDDPFC-JXFKEZNVSA-N 1 3 352.482 3.191 20 0 FGADHO C[N@H+](CCCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415974781 499936302 /nfs/dbraw/zinc/93/63/02/499936302.db2.gz SFVWHYYJBYSMNX-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO C[N@@H+](CCCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415974781 499936304 /nfs/dbraw/zinc/93/63/04/499936304.db2.gz SFVWHYYJBYSMNX-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000415984558 499937423 /nfs/dbraw/zinc/93/74/23/499937423.db2.gz PVXWZTDYEZAWLF-SFHVURJKSA-N 1 3 366.509 3.392 20 0 FGADHO COc1ccc2ccccc2c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000570437451 506167554 /nfs/dbraw/zinc/16/75/54/506167554.db2.gz YICUTZWLLGRTQQ-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CN(C)[C@H](CC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000416211371 499983013 /nfs/dbraw/zinc/98/30/13/499983013.db2.gz AUQKOCYRFFKAFH-OAQYLSRUSA-N 1 3 353.510 3.100 20 0 FGADHO CN(CCCN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C)Cc1ccco1 ZINC000416231250 499988260 /nfs/dbraw/zinc/98/82/60/499988260.db2.gz AZOPOPNFJHSFQI-FQEVSTJZSA-N 1 3 357.498 3.253 20 0 FGADHO C(=C\C[N@@H+]1CCOC[C@H](C2CCC2)C1)\CN1CCOC[C@H](C2CCC2)C1 ZINC000429033362 499989399 /nfs/dbraw/zinc/98/93/99/499989399.db2.gz FXGXBHVOWWNDLV-KTAFUJLCSA-N 1 3 362.558 3.040 20 0 FGADHO C(=C\C[N@H+]1CCOC[C@H](C2CCC2)C1)\CN1CCOC[C@H](C2CCC2)C1 ZINC000429033362 499989401 /nfs/dbraw/zinc/98/94/01/499989401.db2.gz FXGXBHVOWWNDLV-KTAFUJLCSA-N 1 3 362.558 3.040 20 0 FGADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417212999 500006677 /nfs/dbraw/zinc/00/66/77/500006677.db2.gz IMTQHDQZNLTSHN-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000421375463 500031511 /nfs/dbraw/zinc/03/15/11/500031511.db2.gz PBNYMHVOZUDDQT-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000421375463 500031514 /nfs/dbraw/zinc/03/15/14/500031514.db2.gz PBNYMHVOZUDDQT-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000421375463 500031519 /nfs/dbraw/zinc/03/15/19/500031519.db2.gz PBNYMHVOZUDDQT-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377533 500053692 /nfs/dbraw/zinc/05/36/92/500053692.db2.gz GAGZRDFXXQHVRX-IEBWSBKVSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377533 500053695 /nfs/dbraw/zinc/05/36/95/500053695.db2.gz GAGZRDFXXQHVRX-IEBWSBKVSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413346 500073633 /nfs/dbraw/zinc/07/36/33/500073633.db2.gz UHZQBKIOWNUQTA-HDICACEKSA-N 1 3 351.494 3.141 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564625 500104055 /nfs/dbraw/zinc/10/40/55/500104055.db2.gz FNOHXQFKGIVHNO-UTKZUKDTSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N(C)Cc1ccccc1 ZINC000417591730 500119795 /nfs/dbraw/zinc/11/97/95/500119795.db2.gz SMKVUIZVKSVFFF-WIYYLYMNSA-N 1 3 368.525 3.286 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417698307 500151605 /nfs/dbraw/zinc/15/16/05/500151605.db2.gz XNDKZWHMRIIJKD-UTKZUKDTSA-N 1 3 366.509 3.211 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000416907783 500153035 /nfs/dbraw/zinc/15/30/35/500153035.db2.gz VCZBVUPZSFCZQF-WGSAOQKQSA-N 1 3 372.557 3.237 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417753176 500164165 /nfs/dbraw/zinc/16/41/65/500164165.db2.gz SJZSBAKEJRIEFZ-OAQYLSRUSA-N 1 3 368.525 3.261 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430017591 500181237 /nfs/dbraw/zinc/18/12/37/500181237.db2.gz AMPBHBHHDAXHFX-INIZCTEOSA-N 1 3 365.949 3.244 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417843637 500182701 /nfs/dbraw/zinc/18/27/01/500182701.db2.gz QVEGVOIPQSECDR-YZGWKJHDSA-N 1 3 360.546 3.054 20 0 FGADHO C[C@H](NC(=O)N[C@H](CN)c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857884 500184919 /nfs/dbraw/zinc/18/49/19/500184919.db2.gz OUZKOOVVEUHGNF-HNAYVOBHSA-N 1 3 356.514 3.115 20 0 FGADHO CN(c1ccccc1CN1CCOC[C@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117682 500195489 /nfs/dbraw/zinc/19/54/89/500195489.db2.gz ZKKPCEVATSCENZ-OAQYLSRUSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1)C1CCN(C)CC1 ZINC000430117682 500195490 /nfs/dbraw/zinc/19/54/90/500195490.db2.gz ZKKPCEVATSCENZ-OAQYLSRUSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCOC[C@H](C2CCC2)C1)C1CCN(C)CC1 ZINC000430117682 500195491 /nfs/dbraw/zinc/19/54/91/500195491.db2.gz ZKKPCEVATSCENZ-OAQYLSRUSA-N 1 3 371.569 3.466 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)N(CC)CC)cc1 ZINC000418212249 500250314 /nfs/dbraw/zinc/25/03/14/500250314.db2.gz JIYCGPZQJHPICY-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000418351509 500267278 /nfs/dbraw/zinc/26/72/78/500267278.db2.gz LZHNXCRUARFVHW-FQEVSTJZSA-N 1 3 360.546 3.183 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000418355621 500267592 /nfs/dbraw/zinc/26/75/92/500267592.db2.gz PNAUXFVSSUPUQD-NRFANRHFSA-N 1 3 368.525 3.370 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418362038 500268149 /nfs/dbraw/zinc/26/81/49/500268149.db2.gz UVSHNKXEAPKYBX-VQTJNVASSA-N 1 3 358.530 3.080 20 0 FGADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418425233 500274807 /nfs/dbraw/zinc/27/48/07/500274807.db2.gz JEWQVWHNYQHHAO-YZGWKJHDSA-N 1 3 360.546 3.227 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418481480 500281963 /nfs/dbraw/zinc/28/19/63/500281963.db2.gz CTPQVGTWYFIKQJ-HXUWFJFHSA-N 1 3 356.514 3.213 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)CC2)oc1C ZINC000422712360 500288829 /nfs/dbraw/zinc/28/88/29/500288829.db2.gz OBFVKXPGPZBMNV-IERDGZPVSA-N 1 3 370.541 3.052 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719272 500289478 /nfs/dbraw/zinc/28/94/78/500289478.db2.gz YFWXEYVNZCPNOF-QRTARXTBSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719272 500289482 /nfs/dbraw/zinc/28/94/82/500289482.db2.gz YFWXEYVNZCPNOF-QRTARXTBSA-N 1 3 352.320 3.135 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550148 500290556 /nfs/dbraw/zinc/29/05/56/500290556.db2.gz TUSBAQNTXQMWRW-KAGYGMCKSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730333 500291559 /nfs/dbraw/zinc/29/15/59/500291559.db2.gz MBWSTQBLJYRBNS-VWPQPMDRSA-N 1 3 369.484 3.274 20 0 FGADHO Cc1ccc([C@H](N[C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797974 500299020 /nfs/dbraw/zinc/29/90/20/500299020.db2.gz PGQKTYCZTCCCSD-UZLBHIALSA-N 1 3 360.523 3.205 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802936 500300030 /nfs/dbraw/zinc/30/00/30/500300030.db2.gz IAHAQGVIRUYOTN-KGLIPLIRSA-N 1 3 370.440 3.260 20 0 FGADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814787 500301490 /nfs/dbraw/zinc/30/14/90/500301490.db2.gz WDOPUYQWVVHELW-DNVJHFABSA-N 1 3 370.585 3.099 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418655613 500301749 /nfs/dbraw/zinc/30/17/49/500301749.db2.gz RCJPNSYNKBLUPK-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO CN(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820795 500301893 /nfs/dbraw/zinc/30/18/93/500301893.db2.gz SGCMLGKSARARIX-IFMALSPDSA-N 1 3 369.484 3.103 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)c1ccccc1 ZINC000418678282 500306537 /nfs/dbraw/zinc/30/65/37/500306537.db2.gz SLGGANNHISTCRI-VQTJNVASSA-N 1 3 358.530 3.127 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929331 500308257 /nfs/dbraw/zinc/30/82/57/500308257.db2.gz VXXCIBUUMVXLPA-SJORKVTESA-N 1 3 353.510 3.337 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873222 500308433 /nfs/dbraw/zinc/30/84/33/500308433.db2.gz KOKCPEZXXPOYMY-UMNHJUIQSA-N 1 3 350.816 3.048 20 0 FGADHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1Br ZINC000422876278 500308836 /nfs/dbraw/zinc/30/88/36/500308836.db2.gz FKXHHKNFLYBDFI-NSHDSACASA-N 1 3 364.287 3.471 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885597 500310817 /nfs/dbraw/zinc/31/08/17/500310817.db2.gz YXEJLSVHBOQSQJ-UGXKVIGPSA-N 1 3 367.603 3.021 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891660 500311654 /nfs/dbraw/zinc/31/16/54/500311654.db2.gz LGIHPAHGCFCZDJ-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO c1sc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913807 500316466 /nfs/dbraw/zinc/31/64/66/500316466.db2.gz QTKYNOKHFFLKSP-RCCFBDPRSA-N 1 3 363.571 3.480 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@@H]3CN)CC2)cs1 ZINC000422916089 500316550 /nfs/dbraw/zinc/31/65/50/500316550.db2.gz ZXVHSWMTJRILSK-AEFFLSMTSA-N 1 3 350.576 3.025 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@H]3CN)CC2)cs1 ZINC000422916090 500316561 /nfs/dbraw/zinc/31/65/61/500316561.db2.gz ZXVHSWMTJRILSK-FUHWJXTLSA-N 1 3 350.576 3.025 20 0 FGADHO COc1cccc(OCCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923361 500317480 /nfs/dbraw/zinc/31/74/80/500317480.db2.gz RUKIQQIFMQVXSU-IRLDBZIGSA-N 1 3 368.477 3.310 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)N1Cc2ccccc2C1 ZINC000422956775 500323947 /nfs/dbraw/zinc/32/39/47/500323947.db2.gz LXMHHQSWXBJAOD-NJDAHSKKSA-N 1 3 355.526 3.209 20 0 FGADHO COCCNc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963308 500324512 /nfs/dbraw/zinc/32/45/12/500324512.db2.gz FMRZAPOZNZMOEE-UNMCSNQZSA-N 1 3 367.493 3.090 20 0 FGADHO c1coc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964435 500324595 /nfs/dbraw/zinc/32/45/95/500324595.db2.gz LOSCHQDZEODHSS-CNNODRBYSA-N 1 3 367.493 3.262 20 0 FGADHO Cn1cc(-c2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961455 500324875 /nfs/dbraw/zinc/32/48/75/500324875.db2.gz CBCYDHGIRKYCEX-GGAORHGYSA-N 1 3 374.488 3.433 20 0 FGADHO CN(C)CCN(C(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000431049700 500328732 /nfs/dbraw/zinc/32/87/32/500328732.db2.gz POMPUJCVFQWPOG-UHFFFAOYSA-N 1 3 364.493 3.199 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017865 500331867 /nfs/dbraw/zinc/33/18/67/500331867.db2.gz XGHRLUXELGQEAW-AFAVFJNCSA-N 1 3 365.930 3.348 20 0 FGADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423017845 500331921 /nfs/dbraw/zinc/33/19/21/500331921.db2.gz XFVALJRAVNZUJC-SOUVJXGZSA-N 1 3 357.420 3.380 20 0 FGADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423031200 500333336 /nfs/dbraw/zinc/33/33/36/500333336.db2.gz KSQMDFRGWYCCBK-KURKYZTESA-N 1 3 358.461 3.319 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889247 500333554 /nfs/dbraw/zinc/33/35/54/500333554.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889247 500333556 /nfs/dbraw/zinc/33/35/56/500333556.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 1 3 355.526 3.125 20 0 FGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCCCC[C@H]3[NH3+])nc12 ZINC000423036460 500333692 /nfs/dbraw/zinc/33/36/92/500333692.db2.gz LDDUMHZQKVKESC-CVEARBPZSA-N 1 3 365.319 3.197 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)[C@H]3CCCCN3)nc12 ZINC000423038254 500333829 /nfs/dbraw/zinc/33/38/29/500333829.db2.gz ODMQMOLOUISWOD-CZUORRHYSA-N 1 3 365.319 3.068 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423063275 500337475 /nfs/dbraw/zinc/33/74/75/500337475.db2.gz ONLOFOFCJRHQDQ-NMNUPHIUSA-N 1 3 351.538 3.445 20 0 FGADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063373 500337603 /nfs/dbraw/zinc/33/76/03/500337603.db2.gz WGAYSOSXCRAHEA-FGTMMUONSA-N 1 3 368.443 3.484 20 0 FGADHO CCN(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069932 500338083 /nfs/dbraw/zinc/33/80/83/500338083.db2.gz FKZWFSBDHYRBTQ-WMZOPIPTSA-N 1 3 371.447 3.106 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099529 500341895 /nfs/dbraw/zinc/34/18/95/500341895.db2.gz FJKZHMAKFYXQET-NOENWEJRSA-N 1 3 352.906 3.150 20 0 FGADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N(CC)CC)cc1 ZINC000423137839 500347485 /nfs/dbraw/zinc/34/74/85/500347485.db2.gz XAUUPLFYDJQHSZ-ACESQOTJSA-N 1 3 373.585 3.379 20 0 FGADHO CC[C@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423204684 500355014 /nfs/dbraw/zinc/35/50/14/500355014.db2.gz ONIUUAXWIFVSBW-HNNXBMFYSA-N 1 3 360.727 3.048 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N(CC)CC)cc1 ZINC000431281412 500358379 /nfs/dbraw/zinc/35/83/79/500358379.db2.gz FNMQVXGKHMAONW-QMMLZNLJSA-N 1 3 374.573 3.414 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N(CC)CC)cc1 ZINC000431281412 500358380 /nfs/dbraw/zinc/35/83/80/500358380.db2.gz FNMQVXGKHMAONW-QMMLZNLJSA-N 1 3 374.573 3.414 20 0 FGADHO C[NH2+]C[C@@H](C)CN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255444 500358564 /nfs/dbraw/zinc/35/85/64/500358564.db2.gz ABCJUBSPGAVDJS-DYVFJYSZSA-N 1 3 355.320 3.362 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294763 500362713 /nfs/dbraw/zinc/36/27/13/500362713.db2.gz VFYZZUYKVIWJBB-HUUCEWRRSA-N 1 3 361.511 3.319 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1 ZINC000423314756 500363436 /nfs/dbraw/zinc/36/34/36/500363436.db2.gz HQUQHNNINPCIRQ-IBGZPJMESA-N 1 3 355.482 3.292 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000423374733 500368149 /nfs/dbraw/zinc/36/81/49/500368149.db2.gz IHGVXEFZTYHTRN-KRWDZBQOSA-N 1 3 353.510 3.308 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394846 500370195 /nfs/dbraw/zinc/37/01/95/500370195.db2.gz SEOLIHNTZULZFY-BLLLJJGKSA-N 1 3 357.445 3.388 20 0 FGADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320374 500381200 /nfs/dbraw/zinc/38/12/00/500381200.db2.gz LEIRTLJOPKRKCF-TZIWHRDSSA-N 1 3 357.542 3.356 20 0 FGADHO [NH3+]C1(CN[C@@H]2CCCc3ccc(O)cc32)CCN(Cc2ccccc2)CC1 ZINC000423548183 500384196 /nfs/dbraw/zinc/38/41/96/500384196.db2.gz DTDLYYVSHSSQSK-JOCHJYFZSA-N 1 3 365.521 3.353 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000579517036 506193373 /nfs/dbraw/zinc/19/33/73/506193373.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000579517036 506193375 /nfs/dbraw/zinc/19/33/75/506193375.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 1 3 374.573 3.461 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC000431770859 500422556 /nfs/dbraw/zinc/42/25/56/500422556.db2.gz GXFJXWLWIBTQID-NHCUHLMSSA-N 1 3 353.510 3.407 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431796900 500425955 /nfs/dbraw/zinc/42/59/55/500425955.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431796900 500425958 /nfs/dbraw/zinc/42/59/58/500425958.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 1 3 357.542 3.374 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293766 500434776 /nfs/dbraw/zinc/43/47/76/500434776.db2.gz AJXWBSNSGAWYCJ-REWPJTCUSA-N 1 3 368.521 3.500 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293762 500434789 /nfs/dbraw/zinc/43/47/89/500434789.db2.gz AJXWBSNSGAWYCJ-NZQKXSOJSA-N 1 3 368.521 3.500 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297907 500436624 /nfs/dbraw/zinc/43/66/24/500436624.db2.gz GNZGOYJDCKGPST-IFMALSPDSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297907 500436628 /nfs/dbraw/zinc/43/66/28/500436628.db2.gz GNZGOYJDCKGPST-IFMALSPDSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297911 500436649 /nfs/dbraw/zinc/43/66/49/500436649.db2.gz GNZGOYJDCKGPST-RBBKRZOGSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297911 500436651 /nfs/dbraw/zinc/43/66/51/500436651.db2.gz GNZGOYJDCKGPST-RBBKRZOGSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303060 500437279 /nfs/dbraw/zinc/43/72/79/500437279.db2.gz NAJMPDCQGOHLHQ-DENIHFKCSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@@H]2c2ccccc2Cl)cc1 ZINC000420310613 500439064 /nfs/dbraw/zinc/43/90/64/500439064.db2.gz MMYRZOCLMINPLZ-OXJNMPFZSA-N 1 3 359.901 3.037 20 0 FGADHO CC(C)(C)c1cccc(OCCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329812 500442631 /nfs/dbraw/zinc/44/26/31/500442631.db2.gz PAFABPPJWQFSQE-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420329812 500442633 /nfs/dbraw/zinc/44/26/33/500442633.db2.gz PAFABPPJWQFSQE-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420329812 500442635 /nfs/dbraw/zinc/44/26/35/500442635.db2.gz PAFABPPJWQFSQE-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369395 500449282 /nfs/dbraw/zinc/44/92/82/500449282.db2.gz IVLUZHQZRYNWTD-OAQYLSRUSA-N 1 3 352.478 3.041 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369395 500449286 /nfs/dbraw/zinc/44/92/86/500449286.db2.gz IVLUZHQZRYNWTD-OAQYLSRUSA-N 1 3 352.478 3.041 20 0 FGADHO CSc1ccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377472 500450986 /nfs/dbraw/zinc/45/09/86/500450986.db2.gz LCDMIRJCFYMSEI-MOPGFXCFSA-N 1 3 350.528 3.006 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420394121 500454536 /nfs/dbraw/zinc/45/45/36/500454536.db2.gz RDYZPYGFDQDWQO-GHTZIAJQSA-N 1 3 362.514 3.073 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065478 500464464 /nfs/dbraw/zinc/46/44/64/500464464.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065478 500464465 /nfs/dbraw/zinc/46/44/65/500464465.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274050 500479513 /nfs/dbraw/zinc/47/95/13/500479513.db2.gz YFADHCZASMGEEY-LJQANCHMSA-N 1 3 358.555 3.044 20 0 FGADHO CCN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296849 500483273 /nfs/dbraw/zinc/48/32/73/500483273.db2.gz SJBMSTRCAKDXRP-SJORKVTESA-N 1 3 361.505 3.199 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309166 500484438 /nfs/dbraw/zinc/48/44/38/500484438.db2.gz HZOHQHAWEUNZHY-HOTGVXAUSA-N 1 3 353.938 3.273 20 0 FGADHO CN1CCCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323796 500486313 /nfs/dbraw/zinc/48/63/13/500486313.db2.gz WGESRSZZBNHWIU-LJQANCHMSA-N 1 3 358.555 3.044 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000424427695 500503015 /nfs/dbraw/zinc/50/30/15/500503015.db2.gz QKHIZWHTQHSCJJ-OXQOHEQNSA-N 1 3 352.482 3.238 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420797163 500503376 /nfs/dbraw/zinc/50/33/76/500503376.db2.gz GQVDZBGHSZIZES-AFVILVPDSA-N 1 3 372.557 3.212 20 0 FGADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425336 500514758 /nfs/dbraw/zinc/51/47/58/500514758.db2.gz MFGLZJRNZOHUKO-HNAYVOBHSA-N 1 3 361.486 3.321 20 0 FGADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425336 500514760 /nfs/dbraw/zinc/51/47/60/500514760.db2.gz MFGLZJRNZOHUKO-HNAYVOBHSA-N 1 3 361.486 3.321 20 0 FGADHO OCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC2(CCC2)C1 ZINC000433057154 500615542 /nfs/dbraw/zinc/61/55/42/500615542.db2.gz GEBXHJNSBSQFAS-PWRODBHTSA-N 1 3 354.538 3.429 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442864308 500636567 /nfs/dbraw/zinc/63/65/67/500636567.db2.gz CMFRJUFMZHRXRR-HNNXBMFYSA-N 1 3 373.570 3.190 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCS2 ZINC000442869584 500636899 /nfs/dbraw/zinc/63/68/99/500636899.db2.gz DSDUSVMUWLUQNM-SFHVURJKSA-N 1 3 363.571 3.238 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876590 500638034 /nfs/dbraw/zinc/63/80/34/500638034.db2.gz RXZHQXUQQJVNTA-INIZCTEOSA-N 1 3 353.963 3.493 20 0 FGADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877387 500638382 /nfs/dbraw/zinc/63/83/82/500638382.db2.gz TZYQAFOBFZNWHC-MRXNPFEDSA-N 1 3 355.473 3.355 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973892 500699153 /nfs/dbraw/zinc/69/91/53/500699153.db2.gz CBAHPIMEQGXQSQ-HXUWFJFHSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H](C1CC1)N(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000443591510 500742410 /nfs/dbraw/zinc/74/24/10/500742410.db2.gz JPRQMHCSDJNCEB-GOSISDBHSA-N 1 3 361.574 3.364 20 0 FGADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598517 500744039 /nfs/dbraw/zinc/74/40/39/500744039.db2.gz BXTXOXRFIKXDEC-FQEVSTJZSA-N 1 3 371.569 3.322 20 0 FGADHO C[C@@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678816 500754566 /nfs/dbraw/zinc/75/45/66/500754566.db2.gz DIZWNERTNDYYSU-QUCCMNQESA-N 1 3 374.573 3.269 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433940155 500768279 /nfs/dbraw/zinc/76/82/79/500768279.db2.gz JZQDZAVSKMWICD-NRFANRHFSA-N 1 3 372.557 3.297 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(C)cc3C)CC2)CC1 ZINC000570737290 506216122 /nfs/dbraw/zinc/21/61/22/506216122.db2.gz MHXCXVFNXSGHGA-UHFFFAOYSA-N 1 3 371.569 3.158 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000439177354 500866618 /nfs/dbraw/zinc/86/66/18/500866618.db2.gz LEYIMLYOUWIEEI-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCCC[C@@H]1C ZINC000439177354 500866620 /nfs/dbraw/zinc/86/66/20/500866620.db2.gz LEYIMLYOUWIEEI-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691000 500880667 /nfs/dbraw/zinc/88/06/67/500880667.db2.gz MIPMIQSJTYHMGP-JOQOYGCGSA-N 1 3 371.447 3.332 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(-c2ccccc2F)s1 ZINC000449222337 500951164 /nfs/dbraw/zinc/95/11/64/500951164.db2.gz LYKZLUWQUXIOJJ-CQSZACIVSA-N 1 3 351.491 3.396 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1cccc(F)c1 ZINC000449358704 500986351 /nfs/dbraw/zinc/98/63/51/500986351.db2.gz FZFMBHLJEGMANJ-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1cccc(F)c1 ZINC000449358704 500986354 /nfs/dbraw/zinc/98/63/54/500986354.db2.gz FZFMBHLJEGMANJ-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1cccc(F)c1 ZINC000449358704 500986355 /nfs/dbraw/zinc/98/63/55/500986355.db2.gz FZFMBHLJEGMANJ-XXTHSBEZSA-N 1 3 368.496 3.229 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCN2CCCO)CC1 ZINC000449387943 500991436 /nfs/dbraw/zinc/99/14/36/500991436.db2.gz NPLBMMGLBSBECR-IBGZPJMESA-N 1 3 353.595 3.102 20 0 FGADHO O=C(CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698533 501013881 /nfs/dbraw/zinc/01/38/81/501013881.db2.gz WXNQFRHLGNFYLO-GOSISDBHSA-N 1 3 361.555 3.141 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000449491490 501015586 /nfs/dbraw/zinc/01/55/86/501015586.db2.gz HCCWTKQUPVYVAK-SIKLNZKXSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000449491490 501015588 /nfs/dbraw/zinc/01/55/88/501015588.db2.gz HCCWTKQUPVYVAK-SIKLNZKXSA-N 1 3 359.558 3.466 20 0 FGADHO OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1)C1CC1 ZINC000449501464 501019122 /nfs/dbraw/zinc/01/91/22/501019122.db2.gz FNACVFZFPKGJGO-VJFDXUIRSA-N 1 3 354.538 3.284 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020675 /nfs/dbraw/zinc/02/06/75/501020675.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 1 3 371.569 3.378 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020676 /nfs/dbraw/zinc/02/06/76/501020676.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 1 3 371.569 3.378 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000445972478 501056617 /nfs/dbraw/zinc/05/66/17/501056617.db2.gz WMFOHYOAOJUQHA-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO O=C(CCCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000450452095 501125513 /nfs/dbraw/zinc/12/55/13/501125513.db2.gz LFRHAVUSNUSMBI-UHFFFAOYSA-N 1 3 362.489 3.365 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000446744688 501160302 /nfs/dbraw/zinc/16/03/02/501160302.db2.gz KFPURUJPKSSHAC-RXVVDRJESA-N 1 3 371.529 3.130 20 0 FGADHO CO[C@H](Cc1ccccc1)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450643788 501173652 /nfs/dbraw/zinc/17/36/52/501173652.db2.gz RIEAGCIHMNBUIR-JOCHJYFZSA-N 1 3 353.510 3.488 20 0 FGADHO CO[C@H](Cc1ccccc1)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450643788 501173656 /nfs/dbraw/zinc/17/36/56/501173656.db2.gz RIEAGCIHMNBUIR-JOCHJYFZSA-N 1 3 353.510 3.488 20 0 FGADHO CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000446938162 501183686 /nfs/dbraw/zinc/18/36/86/501183686.db2.gz VMFAZGCDTKVOPW-SFTDATJTSA-N 1 3 371.500 3.156 20 0 FGADHO CN(C)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453126528 501274595 /nfs/dbraw/zinc/27/45/95/501274595.db2.gz SQARMHWETBJXHQ-VSKRKVRLSA-N 1 3 371.569 3.130 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453587861 501355030 /nfs/dbraw/zinc/35/50/30/501355030.db2.gz LIQGDZAFAZRTRK-ZDUSSCGKSA-N 1 3 374.392 3.182 20 0 FGADHO Cc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1OCC[NH+](C)C ZINC000458200596 501390574 /nfs/dbraw/zinc/39/05/74/501390574.db2.gz SXOOGGXYGKHTFG-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519907 501464601 /nfs/dbraw/zinc/46/46/01/501464601.db2.gz WLBGTSFPDZBWPX-ICSRJNTNSA-N 1 3 374.573 3.317 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C ZINC000458760782 501525368 /nfs/dbraw/zinc/52/53/68/501525368.db2.gz HAWKPDAQXCXGGJ-MJGOQNOKSA-N 1 3 362.562 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000458785445 501531287 /nfs/dbraw/zinc/53/12/87/501531287.db2.gz WMROUIWHIMNIFE-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000458785445 501531291 /nfs/dbraw/zinc/53/12/91/501531291.db2.gz WMROUIWHIMNIFE-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)C ZINC000458788366 501531867 /nfs/dbraw/zinc/53/18/67/501531867.db2.gz XYQBGUSALKYHCA-DYESRHJHSA-N 1 3 372.557 3.302 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000455120483 501691771 /nfs/dbraw/zinc/69/17/71/501691771.db2.gz RYWBDSSYFVEYOB-NRFANRHFSA-N 1 3 372.557 3.389 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727340 /nfs/dbraw/zinc/72/73/40/501727340.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727344 /nfs/dbraw/zinc/72/73/44/501727344.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000477633968 501745513 /nfs/dbraw/zinc/74/55/13/501745513.db2.gz FBCTXZLVKSRHKB-FQEVSTJZSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373201 501780324 /nfs/dbraw/zinc/78/03/24/501780324.db2.gz KDMSIPYXOUPOIX-IUODEOHRSA-N 1 3 358.267 3.029 20 0 FGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1I ZINC000467373201 501780327 /nfs/dbraw/zinc/78/03/27/501780327.db2.gz KDMSIPYXOUPOIX-IUODEOHRSA-N 1 3 358.267 3.029 20 0 FGADHO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470748692 501790917 /nfs/dbraw/zinc/79/09/17/501790917.db2.gz YRSMOYWBEZKLBD-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884692 501819568 /nfs/dbraw/zinc/81/95/68/501819568.db2.gz WZZNROWQWKNNRM-SJLPKXTDSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000477910797 501826789 /nfs/dbraw/zinc/82/67/89/501826789.db2.gz GFQKQLDZASCEEM-PZJWPPBQSA-N 1 3 359.558 3.160 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477919216 501828677 /nfs/dbraw/zinc/82/86/77/501828677.db2.gz KIBASVQBMNLKOD-HXUWFJFHSA-N 1 3 371.529 3.130 20 0 FGADHO C[NH+](C)CCCCNCc1c(F)ccc(I)c1F ZINC000474626481 501899417 /nfs/dbraw/zinc/89/94/17/501899417.db2.gz LNJXILRINXEDJB-UHFFFAOYSA-N 1 3 368.209 3.001 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952353 501926997 /nfs/dbraw/zinc/92/69/97/501926997.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952353 501927003 /nfs/dbraw/zinc/92/70/03/501927003.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952353 501927006 /nfs/dbraw/zinc/92/70/06/501927006.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 1 3 361.574 3.324 20 0 FGADHO CC(C)C[C@H](CNC(=O)NC[C@H]1CCCN1C)[NH2+][C@H](C)c1ccccc1 ZINC000468028999 501934694 /nfs/dbraw/zinc/93/46/94/501934694.db2.gz XNVFQUGJZBUYEU-MISYRCLQSA-N 1 3 360.546 3.145 20 0 FGADHO C[NH+]1CCC(CC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789764 501938655 /nfs/dbraw/zinc/93/86/55/501938655.db2.gz HJYPUJFHUPJDML-NRFANRHFSA-N 1 3 371.569 3.308 20 0 FGADHO CC[C@@]1(C)CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000468126176 501965174 /nfs/dbraw/zinc/96/51/74/501965174.db2.gz XMBUEJRJBIGTPO-QFIPXVFZSA-N 1 3 357.542 3.198 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087211 501971041 /nfs/dbraw/zinc/97/10/41/501971041.db2.gz GYKGOAWKNQBMRX-QAPCUYQASA-N 1 3 353.576 3.283 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087211 501971042 /nfs/dbraw/zinc/97/10/42/501971042.db2.gz GYKGOAWKNQBMRX-QAPCUYQASA-N 1 3 353.576 3.283 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc2c(s1)CCC2 ZINC000482114103 501979111 /nfs/dbraw/zinc/97/91/11/501979111.db2.gz LAVGJUFLVDZGJV-KRWDZBQOSA-N 1 3 370.566 3.495 20 0 FGADHO C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018420 502022600 /nfs/dbraw/zinc/02/26/00/502022600.db2.gz UWNQRBIHSNGEHP-COPCDDAFSA-N 1 3 365.521 3.284 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000468428022 502056816 /nfs/dbraw/zinc/05/68/16/502056816.db2.gz QCJXAJYEDGXHDT-HXUWFJFHSA-N 1 3 360.546 3.197 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478736975 502071108 /nfs/dbraw/zinc/07/11/08/502071108.db2.gz HBQUMWCPZDTJSZ-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486189248 502077317 /nfs/dbraw/zinc/07/73/17/502077317.db2.gz HRPSXPBLKMSTLA-UHFFFAOYSA-N 1 3 369.509 3.470 20 0 FGADHO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475163169 502087850 /nfs/dbraw/zinc/08/78/50/502087850.db2.gz FWVDKWUCRSLSSJ-AZUAARDMSA-N 1 3 374.573 3.269 20 0 FGADHO CNC(=O)c1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833946 502149178 /nfs/dbraw/zinc/14/91/78/502149178.db2.gz DCPIPHHAXPWTIM-FCHUYYIVSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cc1 ZINC000471833946 502149180 /nfs/dbraw/zinc/14/91/80/502149180.db2.gz DCPIPHHAXPWTIM-FCHUYYIVSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cc1 ZINC000471833946 502149183 /nfs/dbraw/zinc/14/91/83/502149183.db2.gz DCPIPHHAXPWTIM-FCHUYYIVSA-N 1 3 365.521 3.218 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479075128 502156297 /nfs/dbraw/zinc/15/62/97/502156297.db2.gz AZJYRDBUCHXBDE-QUCCMNQESA-N 1 3 356.514 3.196 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182909 502185712 /nfs/dbraw/zinc/18/57/12/502185712.db2.gz DAJUAXVAPOMCNK-MSOLQXFVSA-N 1 3 363.502 3.129 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828644 502197352 /nfs/dbraw/zinc/19/73/52/502197352.db2.gz FCFMZGSBMSIKHC-IEBWSBKVSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828644 502197357 /nfs/dbraw/zinc/19/73/57/502197357.db2.gz FCFMZGSBMSIKHC-IEBWSBKVSA-N 1 3 363.933 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000479349932 502231295 /nfs/dbraw/zinc/23/12/95/502231295.db2.gz UJVZQONAMOJYLD-QRFRQXIXSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000479349932 502231301 /nfs/dbraw/zinc/23/13/01/502231301.db2.gz UJVZQONAMOJYLD-QRFRQXIXSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000479349929 502231916 /nfs/dbraw/zinc/23/19/16/502231916.db2.gz UJVZQONAMOJYLD-HQRMLTQVSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000479349929 502231922 /nfs/dbraw/zinc/23/19/22/502231922.db2.gz UJVZQONAMOJYLD-HQRMLTQVSA-N 1 3 360.546 3.017 20 0 FGADHO CC1(C)C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2cc(Br)ccc21 ZINC000479367311 502236505 /nfs/dbraw/zinc/23/65/05/502236505.db2.gz ZACRZFZRXPMYHZ-WMLDXEAASA-N 1 3 367.331 3.218 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000465423492 502256905 /nfs/dbraw/zinc/25/69/05/502256905.db2.gz RHCHYOGQJVXVND-NRFANRHFSA-N 1 3 374.573 3.491 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000483051935 502257863 /nfs/dbraw/zinc/25/78/63/502257863.db2.gz SDWDBDMPXLRLPS-UHFFFAOYSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725138 502266842 /nfs/dbraw/zinc/26/68/42/502266842.db2.gz XYMSWCQLKGLSGI-QRVBRYPASA-N 1 3 357.542 3.265 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236801 502280356 /nfs/dbraw/zinc/28/03/56/502280356.db2.gz CBQSQZADOYCYNR-WIYYLYMNSA-N 1 3 357.542 3.103 20 0 FGADHO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000483123288 502281587 /nfs/dbraw/zinc/28/15/87/502281587.db2.gz UVJOJDJERKVYEC-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000483123288 502281592 /nfs/dbraw/zinc/28/15/92/502281592.db2.gz UVJOJDJERKVYEC-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300946 /nfs/dbraw/zinc/30/09/46/502300946.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300949 /nfs/dbraw/zinc/30/09/49/502300949.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000483494477 502410777 /nfs/dbraw/zinc/41/07/77/502410777.db2.gz ADIPZMYLHQZARA-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000483494477 502410782 /nfs/dbraw/zinc/41/07/82/502410782.db2.gz ADIPZMYLHQZARA-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890954 502416840 /nfs/dbraw/zinc/41/68/40/502416840.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890954 502416844 /nfs/dbraw/zinc/41/68/44/502416844.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000483546225 502427806 /nfs/dbraw/zinc/42/78/06/502427806.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 1 3 355.526 3.227 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000483546225 502427809 /nfs/dbraw/zinc/42/78/09/502427809.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 1 3 355.526 3.227 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561598 502432114 /nfs/dbraw/zinc/43/21/14/502432114.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 1 3 369.553 3.374 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561598 502432118 /nfs/dbraw/zinc/43/21/18/502432118.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 1 3 369.553 3.374 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000483806060 502497725 /nfs/dbraw/zinc/49/77/25/502497725.db2.gz JQMPGYTZSRTRLI-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000483806060 502497729 /nfs/dbraw/zinc/49/77/29/502497729.db2.gz JQMPGYTZSRTRLI-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277996 502556420 /nfs/dbraw/zinc/55/64/20/502556420.db2.gz CWGXCKUSMVCSPN-KKXBDNRESA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277996 502556424 /nfs/dbraw/zinc/55/64/24/502556424.db2.gz CWGXCKUSMVCSPN-KKXBDNRESA-N 1 3 357.542 3.132 20 0 FGADHO CCCOc1ccc([C@H](C)NCC2(O)CC[NH+](C)CC2)c(OCCC)c1 ZINC000484138394 502580849 /nfs/dbraw/zinc/58/08/49/502580849.db2.gz DLMDXPAUSSNVMK-KRWDZBQOSA-N 1 3 364.530 3.372 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812470 502584301 /nfs/dbraw/zinc/58/43/01/502584301.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000462812470 502584306 /nfs/dbraw/zinc/58/43/06/502584306.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@H+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626021 /nfs/dbraw/zinc/62/60/21/502626021.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@@H+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626026 /nfs/dbraw/zinc/62/60/26/502626026.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 1 3 352.563 3.403 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000480679630 502640639 /nfs/dbraw/zinc/64/06/39/502640639.db2.gz VPYIKTINHZBOTH-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000480679630 502640642 /nfs/dbraw/zinc/64/06/42/502640642.db2.gz VPYIKTINHZBOTH-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000480679630 502640644 /nfs/dbraw/zinc/64/06/44/502640644.db2.gz VPYIKTINHZBOTH-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO CCOc1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173136 502646404 /nfs/dbraw/zinc/64/64/04/502646404.db2.gz BTNLNPRLRZNCLH-HOTGVXAUSA-N 1 3 355.482 3.493 20 0 FGADHO CCOc1cc2nccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173136 502646410 /nfs/dbraw/zinc/64/64/10/502646410.db2.gz BTNLNPRLRZNCLH-HOTGVXAUSA-N 1 3 355.482 3.493 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000463058426 502679110 /nfs/dbraw/zinc/67/91/10/502679110.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000463058426 502679113 /nfs/dbraw/zinc/67/91/13/502679113.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668293 502703212 /nfs/dbraw/zinc/70/32/12/502703212.db2.gz GHRADWNPXYQEDR-GHTZIAJQSA-N 1 3 368.525 3.109 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000463146144 502705358 /nfs/dbraw/zinc/70/53/58/502705358.db2.gz FCNSAOJBEHHSFZ-UHFFFAOYSA-N 1 3 367.537 3.428 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000470366030 502752028 /nfs/dbraw/zinc/75/20/28/502752028.db2.gz BGIQVTRBJSTEMK-LPHOPBHVSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000470366030 502752032 /nfs/dbraw/zinc/75/20/32/502752032.db2.gz BGIQVTRBJSTEMK-LPHOPBHVSA-N 1 3 355.507 3.164 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc4c(c3)CNC4)c2)CC1 ZINC000470373834 502754002 /nfs/dbraw/zinc/75/40/02/502754002.db2.gz NCQLAJISLUXQIN-UHFFFAOYSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932129 502781293 /nfs/dbraw/zinc/78/12/93/502781293.db2.gz CXQAUEKCXVRZQF-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504877567 502817762 /nfs/dbraw/zinc/81/77/62/502817762.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504877567 502817763 /nfs/dbraw/zinc/81/77/63/502817763.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968427 502849591 /nfs/dbraw/zinc/84/95/91/502849591.db2.gz CVSZNAWSXGYUQV-LJQANCHMSA-N 1 3 360.546 3.091 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968427 502849598 /nfs/dbraw/zinc/84/95/98/502849598.db2.gz CVSZNAWSXGYUQV-LJQANCHMSA-N 1 3 360.546 3.091 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076226 502874946 /nfs/dbraw/zinc/87/49/46/502874946.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076226 502874950 /nfs/dbraw/zinc/87/49/50/502874950.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032506 502916910 /nfs/dbraw/zinc/91/69/10/502916910.db2.gz PQKKDUCYZBFHPK-ROUUACIJSA-N 1 3 358.530 3.019 20 0 FGADHO CN1CCN(CC[NH2+]CC(c2ccccc2)c2ccccc2)CC1(C)C ZINC000513496232 502953452 /nfs/dbraw/zinc/95/34/52/502953452.db2.gz BLKLFBACQFINMV-UHFFFAOYSA-N 1 3 351.538 3.434 20 0 FGADHO CCN(CCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973653 /nfs/dbraw/zinc/97/36/53/502973653.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973656 /nfs/dbraw/zinc/97/36/56/502973656.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996367 /nfs/dbraw/zinc/99/63/67/502996367.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996369 /nfs/dbraw/zinc/99/63/69/502996369.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[C@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908184 503064742 /nfs/dbraw/zinc/06/47/42/503064742.db2.gz OBTUAZRXBOLHSK-KRWDZBQOSA-N 1 3 371.447 3.256 20 0 FGADHO CCC[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908184 503064744 /nfs/dbraw/zinc/06/47/44/503064744.db2.gz OBTUAZRXBOLHSK-KRWDZBQOSA-N 1 3 371.447 3.256 20 0 FGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501742150 503070972 /nfs/dbraw/zinc/07/09/72/503070972.db2.gz MLBCWUCJKFKYJN-QGZVFWFLSA-N 1 3 367.484 3.120 20 0 FGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501742150 503070975 /nfs/dbraw/zinc/07/09/75/503070975.db2.gz MLBCWUCJKFKYJN-QGZVFWFLSA-N 1 3 367.484 3.120 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964965 503076839 /nfs/dbraw/zinc/07/68/39/503076839.db2.gz NIRIFQWIVZADTG-QKLQHJQFSA-N 1 3 361.530 3.066 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964965 503076841 /nfs/dbraw/zinc/07/68/41/503076841.db2.gz NIRIFQWIVZADTG-QKLQHJQFSA-N 1 3 361.530 3.066 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964965 503076842 /nfs/dbraw/zinc/07/68/42/503076842.db2.gz NIRIFQWIVZADTG-QKLQHJQFSA-N 1 3 361.530 3.066 20 0 FGADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293703 503086609 /nfs/dbraw/zinc/08/66/09/503086609.db2.gz AKXBCWFZCURNGK-MSOLQXFVSA-N 1 3 351.922 3.323 20 0 FGADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293703 503086611 /nfs/dbraw/zinc/08/66/11/503086611.db2.gz AKXBCWFZCURNGK-MSOLQXFVSA-N 1 3 351.922 3.323 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000514144359 503097610 /nfs/dbraw/zinc/09/76/10/503097610.db2.gz DZAKFXXKUORYQI-OAQYLSRUSA-N 1 3 374.573 3.491 20 0 FGADHO COc1cc(N[C@@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067713 503103127 /nfs/dbraw/zinc/10/31/27/503103127.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 1 3 361.530 3.455 20 0 FGADHO COc1cc(N[C@@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067713 503103129 /nfs/dbraw/zinc/10/31/29/503103129.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 1 3 361.530 3.455 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186298 503107634 /nfs/dbraw/zinc/10/76/34/503107634.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186298 503107640 /nfs/dbraw/zinc/10/76/40/503107640.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000510521243 503131973 /nfs/dbraw/zinc/13/19/73/503131973.db2.gz IAVFAIXFRLRBFZ-DYESRHJHSA-N 1 3 353.510 3.478 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000490216230 503133017 /nfs/dbraw/zinc/13/30/17/503133017.db2.gz KHJVJMFCQDZNTB-WMZOPIPTSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CCN(C)CC1 ZINC000510554391 503143735 /nfs/dbraw/zinc/14/37/35/503143735.db2.gz SPXNKACAEOHAMG-SFHVURJKSA-N 1 3 362.562 3.125 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000490497050 503183243 /nfs/dbraw/zinc/18/32/43/503183243.db2.gz YQYSWNYQTDQART-OAQYLSRUSA-N 1 3 359.558 3.336 20 0 FGADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000502362649 503187099 /nfs/dbraw/zinc/18/70/99/503187099.db2.gz AMOKXAJLTKHUOM-IRLDBZIGSA-N 1 3 359.558 3.384 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1)C1CC1 ZINC000498636925 503229776 /nfs/dbraw/zinc/22/97/76/503229776.db2.gz DTFHTCAALQJBRV-UHFFFAOYSA-N 1 3 357.542 3.475 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000511019769 503236365 /nfs/dbraw/zinc/23/63/65/503236365.db2.gz WBPXJCNVRBWDDQ-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000511019769 503236368 /nfs/dbraw/zinc/23/63/68/503236368.db2.gz WBPXJCNVRBWDDQ-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000514976467 503240222 /nfs/dbraw/zinc/24/02/22/503240222.db2.gz BRXRQRMNUNXIMW-OALUTQOASA-N 1 3 354.897 3.379 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000507415175 503297122 /nfs/dbraw/zinc/29/71/22/503297122.db2.gz UCYRSCISSPFLMV-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000507415175 503297126 /nfs/dbraw/zinc/29/71/26/503297126.db2.gz UCYRSCISSPFLMV-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000499108880 503336386 /nfs/dbraw/zinc/33/63/86/503336386.db2.gz CRNINFCCNASHLI-JBACZVJFSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000499108880 503336389 /nfs/dbraw/zinc/33/63/89/503336389.db2.gz CRNINFCCNASHLI-JBACZVJFSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000503065141 503339630 /nfs/dbraw/zinc/33/96/30/503339630.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000503065141 503339634 /nfs/dbraw/zinc/33/96/34/503339634.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000503065141 503339637 /nfs/dbraw/zinc/33/96/37/503339637.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@H]1CCCN1C ZINC000503065141 503339643 /nfs/dbraw/zinc/33/96/43/503339643.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 1 3 358.574 3.407 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CCc2nnc(C(C)C)s2)CC1 ZINC000492039864 503344908 /nfs/dbraw/zinc/34/49/08/503344908.db2.gz CYSKCMQPBUHUMP-UHFFFAOYSA-N 1 3 373.570 3.136 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499186084 503351710 /nfs/dbraw/zinc/35/17/10/503351710.db2.gz AEQXIPWEXTXHPS-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cccc(CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)C)c1 ZINC000511611604 503354499 /nfs/dbraw/zinc/35/44/99/503354499.db2.gz ANRPIAWODZFHDP-UHFFFAOYSA-N 1 3 359.558 3.442 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882871 503407309 /nfs/dbraw/zinc/40/73/09/503407309.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882871 503407312 /nfs/dbraw/zinc/40/73/12/503407312.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 1 3 372.557 3.069 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506637 503421029 /nfs/dbraw/zinc/42/10/29/503421029.db2.gz GMDATQMMEIMEHP-QGZVFWFLSA-N 1 3 371.447 3.194 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506637 503421032 /nfs/dbraw/zinc/42/10/32/503421032.db2.gz GMDATQMMEIMEHP-QGZVFWFLSA-N 1 3 371.447 3.194 20 0 FGADHO C[N@H+]1CC=C(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511954128 503422714 /nfs/dbraw/zinc/42/27/14/503422714.db2.gz IZXBCBNRXPGWGE-UHFFFAOYSA-N 1 3 350.388 3.243 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511954128 503422718 /nfs/dbraw/zinc/42/27/18/503422718.db2.gz IZXBCBNRXPGWGE-UHFFFAOYSA-N 1 3 350.388 3.243 20 0 FGADHO CC[C@H]1C[C@H](C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575874 503439862 /nfs/dbraw/zinc/43/98/62/503439862.db2.gz LAOUONKRKHHKGO-PKTZIBPZSA-N 1 3 373.585 3.379 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457299 /nfs/dbraw/zinc/45/72/99/503457299.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457302 /nfs/dbraw/zinc/45/73/02/503457302.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000512364549 503529352 /nfs/dbraw/zinc/52/93/52/503529352.db2.gz IESNGFMJQOGXTI-UHFFFAOYSA-N 1 3 359.514 3.466 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000500103498 503554911 /nfs/dbraw/zinc/55/49/11/503554911.db2.gz TVVAGYZLDZZTSY-GIVPXCGWSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000500103498 503554915 /nfs/dbraw/zinc/55/49/15/503554915.db2.gz TVVAGYZLDZZTSY-GIVPXCGWSA-N 1 3 357.542 3.278 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645595 503559519 /nfs/dbraw/zinc/55/95/19/503559519.db2.gz IIVMHFFSKRQYAM-FPOVZHCZSA-N 1 3 358.913 3.355 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645595 503559523 /nfs/dbraw/zinc/55/95/23/503559523.db2.gz IIVMHFFSKRQYAM-FPOVZHCZSA-N 1 3 358.913 3.355 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000500182980 503573088 /nfs/dbraw/zinc/57/30/88/503573088.db2.gz MIIOKXNGMYIKIJ-SFHLNBCPSA-N 1 3 374.573 3.345 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000500182980 503573090 /nfs/dbraw/zinc/57/30/90/503573090.db2.gz MIIOKXNGMYIKIJ-SFHLNBCPSA-N 1 3 374.573 3.345 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000494604673 503573309 /nfs/dbraw/zinc/57/33/09/503573309.db2.gz YPUWKAVCJAKJLF-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000494604673 503573314 /nfs/dbraw/zinc/57/33/14/503573314.db2.gz YPUWKAVCJAKJLF-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000508869736 503583225 /nfs/dbraw/zinc/58/32/25/503583225.db2.gz YWTQARDQAIWNFM-NRDMVMEKSA-N 1 3 372.557 3.335 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000508869736 503583228 /nfs/dbraw/zinc/58/32/28/503583228.db2.gz YWTQARDQAIWNFM-NRDMVMEKSA-N 1 3 372.557 3.335 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC000508899261 503593791 /nfs/dbraw/zinc/59/37/91/503593791.db2.gz TZROFRJODQVEQH-FXAWDEMLSA-N 1 3 360.546 3.158 20 0 FGADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512610833 503594561 /nfs/dbraw/zinc/59/45/61/503594561.db2.gz FJIKJRSQZXWOTG-HSALFYBXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610833 503594566 /nfs/dbraw/zinc/59/45/66/503594566.db2.gz FJIKJRSQZXWOTG-HSALFYBXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610833 503594569 /nfs/dbraw/zinc/59/45/69/503594569.db2.gz FJIKJRSQZXWOTG-HSALFYBXSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512642489 503601275 /nfs/dbraw/zinc/60/12/75/503601275.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 1 3 353.554 3.359 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1)C1CC1 ZINC000516973007 503635943 /nfs/dbraw/zinc/63/59/43/503635943.db2.gz NONGDSUYFBVMRV-QFIPXVFZSA-N 1 3 363.505 3.369 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1)C1CC1 ZINC000516973007 503635944 /nfs/dbraw/zinc/63/59/44/503635944.db2.gz NONGDSUYFBVMRV-QFIPXVFZSA-N 1 3 363.505 3.369 20 0 FGADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCCC1 ZINC000495069640 503657752 /nfs/dbraw/zinc/65/77/52/503657752.db2.gz MOLOIFDHQQVXHP-HSZRJFAPSA-N 1 3 373.585 3.206 20 0 FGADHO COC(=O)[C@@H]1CC12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000536668375 503670949 /nfs/dbraw/zinc/67/09/49/503670949.db2.gz BCLDHWAJVCQUCB-IBGZPJMESA-N 1 3 358.526 3.420 20 0 FGADHO COC(=O)[C@@H]1CC12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000536668375 503670953 /nfs/dbraw/zinc/67/09/53/503670953.db2.gz BCLDHWAJVCQUCB-IBGZPJMESA-N 1 3 358.526 3.420 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721099 503680745 /nfs/dbraw/zinc/68/07/45/503680745.db2.gz YFSNWZJHPBPJPO-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000527116702 503686392 /nfs/dbraw/zinc/68/63/92/503686392.db2.gz PLLWIZWCPPGNPB-GOSISDBHSA-N 1 3 355.501 3.466 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000540159896 503693018 /nfs/dbraw/zinc/69/30/18/503693018.db2.gz ABVGNBMTTOWAIT-QHAWAJNXSA-N 1 3 358.526 3.485 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000517393507 503735210 /nfs/dbraw/zinc/73/52/10/503735210.db2.gz REDIHXCPWZVCCU-KDURUIRLSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411256 503739398 /nfs/dbraw/zinc/73/93/98/503739398.db2.gz YKKCVFOBPNJZPG-ROUUACIJSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411256 503739401 /nfs/dbraw/zinc/73/94/01/503739401.db2.gz YKKCVFOBPNJZPG-ROUUACIJSA-N 1 3 352.567 3.203 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CC=C(C)CC1)c1ccsc1 ZINC000546567751 503791820 /nfs/dbraw/zinc/79/18/20/503791820.db2.gz JGXQVVZCLXRGFO-SFHVURJKSA-N 1 3 364.559 3.082 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(CN2CCCCC2)c1 ZINC000530023352 503796128 /nfs/dbraw/zinc/79/61/28/503796128.db2.gz UXMVBVKZZAXKJH-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(CN2CCCCC2)c1 ZINC000530023352 503796133 /nfs/dbraw/zinc/79/61/33/503796133.db2.gz UXMVBVKZZAXKJH-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)N(C)C ZINC000527492139 503810094 /nfs/dbraw/zinc/81/00/94/503810094.db2.gz JXVYZCYXNFHMBP-UTKZUKDTSA-N 1 3 354.498 3.024 20 0 FGADHO CCC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000543593246 503823508 /nfs/dbraw/zinc/82/35/08/503823508.db2.gz MGOCUVKLRVHYAR-NRFANRHFSA-N 1 3 353.514 3.120 20 0 FGADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000517782680 503836161 /nfs/dbraw/zinc/83/61/61/503836161.db2.gz XCIBLKOWNWQYQF-CQSZACIVSA-N 1 3 357.523 3.295 20 0 FGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540744264 503877440 /nfs/dbraw/zinc/87/74/40/503877440.db2.gz DMPZGEXFYAFINK-HOCLYGCPSA-N 1 3 368.591 3.318 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NCC[NH+](C)C ZINC000540744378 503877600 /nfs/dbraw/zinc/87/76/00/503877600.db2.gz GGRVUFIMURVYAH-YOEHRIQHSA-N 1 3 373.463 3.449 20 0 FGADHO FC(F)(F)COc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530244166 503892253 /nfs/dbraw/zinc/89/22/53/503892253.db2.gz ZGYJWIMTCJQUOR-GOSISDBHSA-N 1 3 372.431 3.218 20 0 FGADHO Fc1cc(-c2ccncc2)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247902 503893507 /nfs/dbraw/zinc/89/35/07/503893507.db2.gz CQHPJCUBAXHCOQ-OAQYLSRUSA-N 1 3 369.484 3.478 20 0 FGADHO CCCOc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530248118 503894528 /nfs/dbraw/zinc/89/45/28/503894528.db2.gz GLLAEYBWYYAERK-IBGZPJMESA-N 1 3 362.514 3.075 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540991596 503968408 /nfs/dbraw/zinc/96/84/08/503968408.db2.gz HMXMOEKJIDKPHI-RBQRDFNRSA-N 1 3 354.469 3.415 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540991596 503968413 /nfs/dbraw/zinc/96/84/13/503968413.db2.gz HMXMOEKJIDKPHI-RBQRDFNRSA-N 1 3 354.469 3.415 20 0 FGADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518399157 503973751 /nfs/dbraw/zinc/97/37/51/503973751.db2.gz ILCSKEKEUXIZOG-LJQANCHMSA-N 1 3 371.569 3.272 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000537650144 503992121 /nfs/dbraw/zinc/99/21/21/503992121.db2.gz HPZPLDRHECNVQR-OAQYLSRUSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000537650144 503992127 /nfs/dbraw/zinc/99/21/27/503992127.db2.gz HPZPLDRHECNVQR-OAQYLSRUSA-N 1 3 371.569 3.467 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000537818220 504052712 /nfs/dbraw/zinc/05/27/12/504052712.db2.gz UZYDABIILJXHMB-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000537818220 504052717 /nfs/dbraw/zinc/05/27/17/504052717.db2.gz UZYDABIILJXHMB-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289592 504075751 /nfs/dbraw/zinc/07/57/51/504075751.db2.gz SIUFGXAARWIIKF-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000534282645 504094742 /nfs/dbraw/zinc/09/47/42/504094742.db2.gz LPSSWWKOFRGIMM-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000544634768 504198923 /nfs/dbraw/zinc/19/89/23/504198923.db2.gz VFWHHZZMUUIINE-DYESRHJHSA-N 1 3 374.573 3.223 20 0 FGADHO C[N@H+](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CCCCC1 ZINC000547733000 504203168 /nfs/dbraw/zinc/20/31/68/504203168.db2.gz GMWGGOUGIVOEKY-UHFFFAOYSA-N 1 3 373.541 3.236 20 0 FGADHO C[N@@H+](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CCCCC1 ZINC000547733000 504203171 /nfs/dbraw/zinc/20/31/71/504203171.db2.gz GMWGGOUGIVOEKY-UHFFFAOYSA-N 1 3 373.541 3.236 20 0 FGADHO C[NH+](C)CC1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000544799506 504262646 /nfs/dbraw/zinc/26/26/46/504262646.db2.gz LHIDVSXJEUANIW-FQEVSTJZSA-N 1 3 372.557 3.245 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528659695 504317821 /nfs/dbraw/zinc/31/78/21/504317821.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 1 3 371.569 3.380 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528659695 504317824 /nfs/dbraw/zinc/31/78/24/504317824.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 1 3 371.569 3.380 20 0 FGADHO CCCN1CCN(c2ccccc2CNCCC[NH+]2CCCCC2)CC1 ZINC000531532247 504336203 /nfs/dbraw/zinc/33/62/03/504336203.db2.gz QZTCOYLPVDIAHU-UHFFFAOYSA-N 1 3 358.574 3.184 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000531686894 504393608 /nfs/dbraw/zinc/39/36/08/504393608.db2.gz MGWJPCSGKVMZNQ-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1)CC1CC1 ZINC000538857694 504394625 /nfs/dbraw/zinc/39/46/25/504394625.db2.gz UVWNENMRMXQJAB-UHFFFAOYSA-N 1 3 355.530 3.302 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1)CC1CC1 ZINC000538857694 504394630 /nfs/dbraw/zinc/39/46/30/504394630.db2.gz UVWNENMRMXQJAB-UHFFFAOYSA-N 1 3 355.530 3.302 20 0 FGADHO Cc1cccc(CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)C)c1 ZINC000520173166 504425826 /nfs/dbraw/zinc/42/58/26/504425826.db2.gz QSESQKBPVGMVSC-UHFFFAOYSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450689 504493986 /nfs/dbraw/zinc/49/39/86/504493986.db2.gz IEWXRZYOQVAHIX-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000539200988 504496345 /nfs/dbraw/zinc/49/63/45/504496345.db2.gz JCLOUFRCROTDTD-QFIPXVFZSA-N 1 3 368.500 3.474 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cncs3)cc2)C[C@H]1C ZINC000539223687 504501883 /nfs/dbraw/zinc/50/18/83/504501883.db2.gz JJIVQARNFWFAPO-IAGOWNOFSA-N 1 3 359.539 3.442 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210616 504573773 /nfs/dbraw/zinc/57/37/73/504573773.db2.gz OVVXZUFNVNBJGR-INIZCTEOSA-N 1 3 367.493 3.363 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877056 504601489 /nfs/dbraw/zinc/60/14/89/504601489.db2.gz HUKQGJLROPCPDJ-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000521045275 504635674 /nfs/dbraw/zinc/63/56/74/504635674.db2.gz MFSRSOXEAYFZKP-FQEVSTJZSA-N 1 3 357.542 3.135 20 0 FGADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCCc2sccc21 ZINC000539691596 504653480 /nfs/dbraw/zinc/65/34/80/504653480.db2.gz KBFAEFAIGYVCSC-OALUTQOASA-N 1 3 371.550 3.004 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000549043095 504665649 /nfs/dbraw/zinc/66/56/49/504665649.db2.gz XZAGPQCCVIMPEH-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549087355 504680150 /nfs/dbraw/zinc/68/01/50/504680150.db2.gz ZEWXKSSQRSZJAC-JOCHJYFZSA-N 1 3 365.521 3.185 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521309022 504705868 /nfs/dbraw/zinc/70/58/68/504705868.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 1 3 352.567 3.157 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521309022 504705876 /nfs/dbraw/zinc/70/58/76/504705876.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 1 3 352.567 3.157 20 0 FGADHO OC1CC[NH+](CCCN[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546163661 504730970 /nfs/dbraw/zinc/73/09/70/504730970.db2.gz OPTXDFCCRZLOGI-OAQYLSRUSA-N 1 3 373.928 3.455 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069551 504773311 /nfs/dbraw/zinc/77/33/11/504773311.db2.gz OWFZLDJAPCTZGZ-FQEVSTJZSA-N 1 3 370.541 3.328 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225620 504829554 /nfs/dbraw/zinc/82/95/54/504829554.db2.gz GNRLOZSPAKLFKP-AEFFLSMTSA-N 1 3 366.347 3.273 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000565559716 504923039 /nfs/dbraw/zinc/92/30/39/504923039.db2.gz RRIJSDSNQPVBDI-VQIMIIECSA-N 1 3 363.546 3.359 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562751898 504933212 /nfs/dbraw/zinc/93/32/12/504933212.db2.gz UFUMNXHGWAFGGZ-SIKLNZKXSA-N 1 3 368.525 3.207 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562751897 504933513 /nfs/dbraw/zinc/93/35/13/504933513.db2.gz UFUMNXHGWAFGGZ-KNQAVFIVSA-N 1 3 368.525 3.207 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc2c(n1)CCC2 ZINC000556773645 504970575 /nfs/dbraw/zinc/97/05/75/504970575.db2.gz FKTBJFMWKRAPGJ-UHFFFAOYSA-N 1 3 370.585 3.198 20 0 FGADHO C[C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000556832976 504988866 /nfs/dbraw/zinc/98/88/66/504988866.db2.gz NYUSEJZVEBFLCZ-KURKYZTESA-N 1 3 366.509 3.145 20 0 FGADHO O=C(CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984397 505009358 /nfs/dbraw/zinc/00/93/58/505009358.db2.gz KGDPSMORIFPDIY-HXUWFJFHSA-N 1 3 351.494 3.169 20 0 FGADHO O=C(CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984397 505009366 /nfs/dbraw/zinc/00/93/66/505009366.db2.gz KGDPSMORIFPDIY-HXUWFJFHSA-N 1 3 351.494 3.169 20 0 FGADHO O=C(CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984397 505009369 /nfs/dbraw/zinc/00/93/69/505009369.db2.gz KGDPSMORIFPDIY-HXUWFJFHSA-N 1 3 351.494 3.169 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988898 505011712 /nfs/dbraw/zinc/01/17/12/505011712.db2.gz CQSSNBIBSJZRBS-GOEBONIOSA-N 1 3 357.420 3.496 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988898 505011714 /nfs/dbraw/zinc/01/17/14/505011714.db2.gz CQSSNBIBSJZRBS-GOEBONIOSA-N 1 3 357.420 3.496 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(Nc3cccc(OC)c3)CC2)cc1 ZINC000563214858 505078290 /nfs/dbraw/zinc/07/82/90/505078290.db2.gz BLJVUJDROVBBHC-GOSISDBHSA-N 1 3 369.509 3.323 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163459 505101546 /nfs/dbraw/zinc/10/15/46/505101546.db2.gz GMWYXZVPTCGMNJ-RRQGHBQHSA-N 1 3 371.447 3.203 20 0 FGADHO O[C@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000557272592 505102506 /nfs/dbraw/zinc/10/25/06/505102506.db2.gz BHZVYALTZFRRTD-GOTSBHOMSA-N 1 3 371.569 3.009 20 0 FGADHO COc1ccc([C@H](Cc2ccncc2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560513955 505109584 /nfs/dbraw/zinc/10/95/84/505109584.db2.gz OAKXWOFXFMHRNH-AVRDEDQJSA-N 1 3 351.494 3.448 20 0 FGADHO COc1ccc([C@H](Cc2ccncc2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560513955 505109587 /nfs/dbraw/zinc/10/95/87/505109587.db2.gz OAKXWOFXFMHRNH-AVRDEDQJSA-N 1 3 351.494 3.448 20 0 FGADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)c1cccnc1 ZINC000563382180 505127447 /nfs/dbraw/zinc/12/74/47/505127447.db2.gz DUFDNLPCWLEKRQ-SFHVURJKSA-N 1 3 372.557 3.187 20 0 FGADHO c1cc2c(c([C@@H]3CCCN3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351795 505150379 /nfs/dbraw/zinc/15/03/79/505150379.db2.gz DKRXFKKOYAAFAG-FQEVSTJZSA-N 1 3 350.462 3.441 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000554449843 505176377 /nfs/dbraw/zinc/17/63/77/505176377.db2.gz PVBUOHLBPOEHJW-YYWHXJBOSA-N 1 3 368.525 3.280 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)N(C)C1CC1 ZINC000560754413 505178664 /nfs/dbraw/zinc/17/86/64/505178664.db2.gz ADUZTHNSGVCHPI-SFHVURJKSA-N 1 3 372.557 3.200 20 0 FGADHO Cc1nc2ccccn2c1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551616345 505267497 /nfs/dbraw/zinc/26/74/97/505267497.db2.gz YMSKERAJGQNJFA-UHFFFAOYSA-N 1 3 364.493 3.406 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000566937246 505315771 /nfs/dbraw/zinc/31/57/71/505315771.db2.gz SAXPTKFUKMHCBR-APWZRJJASA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000566937246 505315775 /nfs/dbraw/zinc/31/57/75/505315775.db2.gz SAXPTKFUKMHCBR-APWZRJJASA-N 1 3 363.571 3.392 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000551818551 505318331 /nfs/dbraw/zinc/31/83/31/505318331.db2.gz WEHDPUSUXOIYNY-HXUWFJFHSA-N 1 3 374.525 3.371 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000552044159 505380045 /nfs/dbraw/zinc/38/00/45/505380045.db2.gz SLDLZTPXPDEWTB-NCOADZHNSA-N 1 3 365.468 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000552044159 505380048 /nfs/dbraw/zinc/38/00/48/505380048.db2.gz SLDLZTPXPDEWTB-NCOADZHNSA-N 1 3 365.468 3.329 20 0 FGADHO CC(C)COc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000564319559 505382511 /nfs/dbraw/zinc/38/25/11/505382511.db2.gz XAUWQYVKDVHWOF-UHFFFAOYSA-N 1 3 359.558 3.181 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552053980 505382981 /nfs/dbraw/zinc/38/29/81/505382981.db2.gz DMJFXZJOBZTTLU-IVAOSVALSA-N 1 3 359.583 3.066 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552053980 505382985 /nfs/dbraw/zinc/38/29/85/505382985.db2.gz DMJFXZJOBZTTLU-IVAOSVALSA-N 1 3 359.583 3.066 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000564324488 505384851 /nfs/dbraw/zinc/38/48/51/505384851.db2.gz HXMOTKWUKZZHCU-HXUWFJFHSA-N 1 3 372.557 3.181 20 0 FGADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000555230807 505385638 /nfs/dbraw/zinc/38/56/38/505385638.db2.gz HBZLIHPJBALKHG-YJBOKZPZSA-N 1 3 351.922 3.323 20 0 FGADHO CN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000552063727 505386765 /nfs/dbraw/zinc/38/67/65/505386765.db2.gz KMYHRXXUTPZXLN-CNFALQKSSA-N 1 3 359.480 3.254 20 0 FGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000558483043 505404838 /nfs/dbraw/zinc/40/48/38/505404838.db2.gz UUKHISVMZZSUFU-JQIJEIRASA-N 1 3 367.484 3.307 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284323 505450183 /nfs/dbraw/zinc/45/01/83/505450183.db2.gz WOJITBJWLKKGRR-KSZLIROESA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284323 505450185 /nfs/dbraw/zinc/45/01/85/505450185.db2.gz WOJITBJWLKKGRR-KSZLIROESA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284323 505450188 /nfs/dbraw/zinc/45/01/88/505450188.db2.gz WOJITBJWLKKGRR-KSZLIROESA-N 1 3 359.905 3.192 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612491 505474875 /nfs/dbraw/zinc/47/48/75/505474875.db2.gz OWKDPRNEUABSOB-NRFANRHFSA-N 1 3 351.494 3.100 20 0 FGADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C3CCN(C4CCCC4)CC3)c2cc1C ZINC000552570362 505515782 /nfs/dbraw/zinc/51/57/82/505515782.db2.gz CAWRZJZKZYFFTP-HXUWFJFHSA-N 1 3 370.541 3.011 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846023 505536542 /nfs/dbraw/zinc/53/65/42/505536542.db2.gz YHIFYDDTLDSAJG-HXUWFJFHSA-N 1 3 362.901 3.069 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846023 505536546 /nfs/dbraw/zinc/53/65/46/505536546.db2.gz YHIFYDDTLDSAJG-HXUWFJFHSA-N 1 3 362.901 3.069 20 0 FGADHO C[C@H](OC[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864747 505543926 /nfs/dbraw/zinc/54/39/26/505543926.db2.gz SSTAENBSGZYMMM-LPHOPBHVSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](OC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(Cl)cc1 ZINC000564864747 505543930 /nfs/dbraw/zinc/54/39/30/505543930.db2.gz SSTAENBSGZYMMM-LPHOPBHVSA-N 1 3 368.949 3.490 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549738 /nfs/dbraw/zinc/54/97/38/505549738.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549739 /nfs/dbraw/zinc/54/97/39/505549739.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 1 3 357.542 3.150 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000567819749 505565739 /nfs/dbraw/zinc/56/57/39/505565739.db2.gz WZIYPXDONNKDAN-MRXNPFEDSA-N 1 3 365.949 3.256 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000567864343 505569189 /nfs/dbraw/zinc/56/91/89/505569189.db2.gz AZSNQMMMWREZFH-UHFFFAOYSA-N 1 3 355.526 3.196 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286612 506476420 /nfs/dbraw/zinc/47/64/20/506476420.db2.gz LOYZVQUYQRIDOM-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000603307832 506481635 /nfs/dbraw/zinc/48/16/35/506481635.db2.gz XMFOIRASVAGERK-ROUUACIJSA-N 1 3 361.530 3.010 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000603593725 506569415 /nfs/dbraw/zinc/56/94/15/506569415.db2.gz XQNYUYYADBNWNN-HKUYNNGSSA-N 1 3 358.530 3.043 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CSc4ccccc43)CC2)CC1 ZINC000583272185 506689552 /nfs/dbraw/zinc/68/95/52/506689552.db2.gz BXWHPIYUHATEEQ-LJQANCHMSA-N 1 3 373.566 3.146 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000604073708 506703280 /nfs/dbraw/zinc/70/32/80/506703280.db2.gz IIXKPGXYDNHHEE-FQEVSTJZSA-N 1 3 372.557 3.215 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604195898 506746806 /nfs/dbraw/zinc/74/68/06/506746806.db2.gz WYJMGMYGJJPOSM-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604195898 506746812 /nfs/dbraw/zinc/74/68/12/506746812.db2.gz WYJMGMYGJJPOSM-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CCOC(=O)c1cccc(CNCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000600128771 506791385 /nfs/dbraw/zinc/79/13/85/506791385.db2.gz ANWJFCDYBFCQIG-UHFFFAOYSA-N 1 3 373.522 3.322 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130048 506931887 /nfs/dbraw/zinc/93/18/87/506931887.db2.gz YVIWKPKDDQUGJH-WIYYLYMNSA-N 1 3 357.542 3.055 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594105049 506941929 /nfs/dbraw/zinc/94/19/29/506941929.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594105049 506941936 /nfs/dbraw/zinc/94/19/36/506941936.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCCCC1 ZINC000591108600 507119036 /nfs/dbraw/zinc/11/90/36/507119036.db2.gz LXZUUVPZQPEOHB-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000600831856 507141601 /nfs/dbraw/zinc/14/16/01/507141601.db2.gz HCPDBMFDGDUYHB-VQTJNVASSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591456241 507257276 /nfs/dbraw/zinc/25/72/76/507257276.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591456241 507257282 /nfs/dbraw/zinc/25/72/82/507257282.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 1 3 373.541 3.152 20 0 FGADHO CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCCC1 ZINC000591538302 507281268 /nfs/dbraw/zinc/28/12/68/507281268.db2.gz FFGNSVQTGXXYRR-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591554164 507289042 /nfs/dbraw/zinc/28/90/42/507289042.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591554164 507289052 /nfs/dbraw/zinc/28/90/52/507289052.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000601285229 507321815 /nfs/dbraw/zinc/32/18/15/507321815.db2.gz GRSQNMXXNDTXIW-LEWJYISDSA-N 1 3 372.557 3.213 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290195 507324352 /nfs/dbraw/zinc/32/43/52/507324352.db2.gz IBQMKJVKWXYYAM-RTWAWAEBSA-N 1 3 372.557 3.306 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290195 507324360 /nfs/dbraw/zinc/32/43/60/507324360.db2.gz IBQMKJVKWXYYAM-RTWAWAEBSA-N 1 3 372.557 3.306 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@H]2CNc3ccnn3C2)C1 ZINC000595139197 507405672 /nfs/dbraw/zinc/40/56/72/507405672.db2.gz GSZGPVXERSRNKA-QRVBRYPASA-N 1 3 367.541 3.193 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000595378063 507476677 /nfs/dbraw/zinc/47/66/77/507476677.db2.gz VOFFOIZNNMTXOR-IBGZPJMESA-N 1 3 373.541 3.156 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057460 507599646 /nfs/dbraw/zinc/59/96/46/507599646.db2.gz RHVDUMVTAFNIFF-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057460 507599650 /nfs/dbraw/zinc/59/96/50/507599650.db2.gz RHVDUMVTAFNIFF-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645551 /nfs/dbraw/zinc/64/55/51/507645551.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645561 /nfs/dbraw/zinc/64/55/61/507645561.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO O=C(C[C@H]1CC[NH2+]C1)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390792596 568239793 /nfs/dbraw/zinc/23/97/93/568239793.db2.gz XLQCNNXMMTZAPG-JOCHJYFZSA-N 1 3 365.521 3.195 20 0 FGADHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945769 608501748 /nfs/dbraw/zinc/50/17/48/608501748.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945769 608501749 /nfs/dbraw/zinc/50/17/49/608501749.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945769 608501750 /nfs/dbraw/zinc/50/17/50/608501750.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945769 608501751 /nfs/dbraw/zinc/50/17/51/608501751.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824936086 608744018 /nfs/dbraw/zinc/74/40/18/608744018.db2.gz DSESQOJNTWLSKH-OAHLLOKOSA-N 1 3 374.558 3.405 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824936086 608744020 /nfs/dbraw/zinc/74/40/20/608744020.db2.gz DSESQOJNTWLSKH-OAHLLOKOSA-N 1 3 374.558 3.405 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187289253 712738299 /nfs/dbraw/zinc/73/82/99/712738299.db2.gz UZGUOGJMOOEBBO-ZFWWWQNUSA-N 1 3 373.335 3.471 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000301466922 713782236 /nfs/dbraw/zinc/78/22/36/713782236.db2.gz WMDNUBNEZFTKTJ-FGTMMUONSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000617507075 714663236 /nfs/dbraw/zinc/66/32/36/714663236.db2.gz HCYUXTVJHIZIGD-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000617507075 714663239 /nfs/dbraw/zinc/66/32/39/714663239.db2.gz HCYUXTVJHIZIGD-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504583 714663395 /nfs/dbraw/zinc/66/33/95/714663395.db2.gz BAJWOIRXLRJCOH-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504583 714663397 /nfs/dbraw/zinc/66/33/97/714663397.db2.gz BAJWOIRXLRJCOH-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000617507688 714663521 /nfs/dbraw/zinc/66/35/21/714663521.db2.gz FYQIWSDAEOSKRH-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000617507688 714663522 /nfs/dbraw/zinc/66/35/22/714663522.db2.gz FYQIWSDAEOSKRH-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO Clc1cnccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000623363038 715319137 /nfs/dbraw/zinc/31/91/37/715319137.db2.gz VNSHIOJTOGCXIL-UHFFFAOYSA-N 1 3 358.917 3.427 20 0 FGADHO Clc1cnccc1CNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000623363038 715319142 /nfs/dbraw/zinc/31/91/42/715319142.db2.gz VNSHIOJTOGCXIL-UHFFFAOYSA-N 1 3 358.917 3.427 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399246 715327801 /nfs/dbraw/zinc/32/78/01/715327801.db2.gz CZHQMBHTSSKPJV-CVEARBPZSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399246 715327806 /nfs/dbraw/zinc/32/78/06/715327806.db2.gz CZHQMBHTSSKPJV-CVEARBPZSA-N 1 3 366.347 3.490 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416151 /nfs/dbraw/zinc/41/61/51/724416151.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 1 3 353.551 3.297 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416152 /nfs/dbraw/zinc/41/61/52/724416152.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416153 /nfs/dbraw/zinc/41/61/53/724416153.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416154 /nfs/dbraw/zinc/41/61/54/724416154.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 1 3 353.551 3.297 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000629601008 716317220 /nfs/dbraw/zinc/31/72/20/716317220.db2.gz DDKXFENRZBIJQN-DPDLHNOKSA-N 1 3 356.897 3.061 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000629601008 716317223 /nfs/dbraw/zinc/31/72/23/716317223.db2.gz DDKXFENRZBIJQN-DPDLHNOKSA-N 1 3 356.897 3.061 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639041518 717507449 /nfs/dbraw/zinc/50/74/49/717507449.db2.gz LXZOPYGAOLXJQE-ZFWWWQNUSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639041518 717507456 /nfs/dbraw/zinc/50/74/56/717507456.db2.gz LXZOPYGAOLXJQE-ZFWWWQNUSA-N 1 3 368.319 3.158 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1Cl ZINC000644584190 718128467 /nfs/dbraw/zinc/12/84/67/718128467.db2.gz OYHZFXVPTKMLME-IBGZPJMESA-N 1 3 366.933 3.214 20 0 FGADHO C[C@@H]1OCC[C@]1(C)NCc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489583 718520592 /nfs/dbraw/zinc/52/05/92/718520592.db2.gz SZLVPVJXVOULNY-SLUIBLPYSA-N 1 3 350.478 3.140 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC000650705608 718717008 /nfs/dbraw/zinc/71/70/08/718717008.db2.gz NSDQFDOPHYXUJQ-DJIMGWMZSA-N 1 3 353.304 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC000650705471 718717051 /nfs/dbraw/zinc/71/70/51/718717051.db2.gz ICAHVLJCADIVBY-USXIJHARSA-N 1 3 353.304 3.167 20 0 FGADHO Cc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708146 718717326 /nfs/dbraw/zinc/71/73/26/718717326.db2.gz UIKRAZRBOYEEEF-XYJFISCASA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723388 718720575 /nfs/dbraw/zinc/72/05/75/718720575.db2.gz NFNCZGRVGRYQNC-BPQIPLTHSA-N 1 3 358.511 3.066 20 0 FGADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349261 718935358 /nfs/dbraw/zinc/93/53/58/718935358.db2.gz IHUFIZDGMMDCRB-YXJHDRRASA-N 1 3 361.511 3.430 20 0 FGADHO CC(C)(C)c1cnc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537278 719668118 /nfs/dbraw/zinc/66/81/18/719668118.db2.gz GKGAMOGJZCLEOJ-UHFFFAOYSA-N 1 3 351.560 3.421 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccsc1 ZINC000662384799 720423767 /nfs/dbraw/zinc/42/37/67/720423767.db2.gz XAMQQTBKESNEFK-RTBURBONSA-N 1 3 357.523 3.482 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953956 721004691 /nfs/dbraw/zinc/00/46/91/721004691.db2.gz LUNQSKAIGFMGAT-SJLPKXTDSA-N 1 3 350.890 3.130 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486864 722413117 /nfs/dbraw/zinc/41/31/17/722413117.db2.gz NWJIFFHXSJMTOS-XDNAFOTISA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000768301836 723653447 /nfs/dbraw/zinc/65/34/47/723653447.db2.gz CFLIHHWJXGNWSP-SFHVURJKSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1(C)C ZINC000799346950 724015876 /nfs/dbraw/zinc/01/58/76/724015876.db2.gz VLNSULRLHWYZKK-UHFFFAOYSA-N 1 3 361.477 3.414 20 0 FGADHO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000800373009 724188105 /nfs/dbraw/zinc/18/81/05/724188105.db2.gz GBYVRUFOZCJYFY-DOTOQJQBSA-N 1 3 351.535 3.096 20 0 FGADHO C(CCCCN1CCOCC12CC2)CCCC[N@@H+]1CCOCC12CC2 ZINC000801980475 724352637 /nfs/dbraw/zinc/35/26/37/724352637.db2.gz VXKZJNAIDCZPFO-UHFFFAOYSA-N 1 3 350.547 3.447 20 0 FGADHO C(CCCCN1CCOCC12CC2)CCCC[N@H+]1CCOCC12CC2 ZINC000801980475 724352642 /nfs/dbraw/zinc/35/26/42/724352642.db2.gz VXKZJNAIDCZPFO-UHFFFAOYSA-N 1 3 350.547 3.447 20 0 FGADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC000788472914 725066148 /nfs/dbraw/zinc/06/61/48/725066148.db2.gz DNNJHTRTXRASOA-UHFFFAOYSA-N 1 3 357.420 3.096 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596245 725074632 /nfs/dbraw/zinc/07/46/32/725074632.db2.gz YCLMRUBDJAIGDQ-INIZCTEOSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666185 729297295 /nfs/dbraw/zinc/29/72/95/729297295.db2.gz HJZIVWUXYJKCIJ-XLAORIBOSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666185 729297298 /nfs/dbraw/zinc/29/72/98/729297298.db2.gz HJZIVWUXYJKCIJ-XLAORIBOSA-N 1 3 351.535 3.381 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103210 729424311 /nfs/dbraw/zinc/42/43/11/729424311.db2.gz GUILKUUOSWDOMA-DOTOQJQBSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103210 729424312 /nfs/dbraw/zinc/42/43/12/729424312.db2.gz GUILKUUOSWDOMA-DOTOQJQBSA-N 1 3 366.937 3.204 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000830355269 729552034 /nfs/dbraw/zinc/55/20/34/729552034.db2.gz FIFUAABGFRPHSY-QGZVFWFLSA-N 1 3 366.937 3.014 20 0 FGADHO CS(=O)(=O)c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000840904606 730189474 /nfs/dbraw/zinc/18/94/74/730189474.db2.gz WIUOGFPCPWBSRJ-UHFFFAOYSA-N 1 3 356.557 3.038 20 0 FGADHO CC(C)n1ncc2cc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125724 730588857 /nfs/dbraw/zinc/58/88/57/730588857.db2.gz GIHVWAFHIOGIBK-CABCVRRESA-N 1 3 361.921 3.487 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000843488001 730624170 /nfs/dbraw/zinc/62/41/70/730624170.db2.gz YVCJZXPQQYKYDE-KRWDZBQOSA-N 1 3 366.937 3.012 20 0 FGADHO Cc1nc(-c2cccc(NC(=O)CN(C)C3CCC([NH3+])CC3)c2)cs1 ZINC000844221418 730693214 /nfs/dbraw/zinc/69/32/14/730693214.db2.gz ZNXYJZXBFJSITO-UHFFFAOYSA-N 1 3 358.511 3.259 20 0 FGADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529044 731175868 /nfs/dbraw/zinc/17/58/68/731175868.db2.gz QRIRFJDVXUVUAO-ROUUACIJSA-N 1 3 373.324 3.260 20 0 FGADHO [NH2+]=C(NC[C@H]1CCCC1(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849115413 731230966 /nfs/dbraw/zinc/23/09/66/731230966.db2.gz SERFPVXTTMFQNC-MRXNPFEDSA-N 1 3 350.457 3.200 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283551 732804081 /nfs/dbraw/zinc/80/40/81/732804081.db2.gz KIFCKWMROSBLJQ-ZNMIVQPWSA-N 1 3 361.477 3.094 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283551 732804086 /nfs/dbraw/zinc/80/40/86/732804086.db2.gz KIFCKWMROSBLJQ-ZNMIVQPWSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449771 733203307 /nfs/dbraw/zinc/20/33/07/733203307.db2.gz FBAQDGAOHUOFPH-HUUCEWRRSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449771 733203313 /nfs/dbraw/zinc/20/33/13/733203313.db2.gz FBAQDGAOHUOFPH-HUUCEWRRSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449771 733203316 /nfs/dbraw/zinc/20/33/16/733203316.db2.gz FBAQDGAOHUOFPH-HUUCEWRRSA-N 1 3 363.493 3.245 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868174645 733567913 /nfs/dbraw/zinc/56/79/13/733567913.db2.gz HBPMLGSXGSFNFA-ZWKOTPCHSA-N 1 3 358.511 3.158 20 0 FGADHO COc1ccccc1N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873212372 735738725 /nfs/dbraw/zinc/73/87/25/735738725.db2.gz ZTICWRRFHNGEKT-UHFFFAOYSA-N 1 3 357.523 3.161 20 0 FGADHO [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1)C1CCCC1 ZINC000877443583 736219639 /nfs/dbraw/zinc/21/96/39/736219639.db2.gz DYPJJASRIJLBIU-YOEHRIQHSA-N 1 3 361.555 3.154 20 0 FGADHO CSC(C)(C)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877518885 736677961 /nfs/dbraw/zinc/67/79/61/736677961.db2.gz WMIZIAMAWUPGDC-HXUWFJFHSA-N 1 3 361.599 3.410 20 0 FGADHO CSC(C)(C)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877518885 736677962 /nfs/dbraw/zinc/67/79/62/736677962.db2.gz WMIZIAMAWUPGDC-HXUWFJFHSA-N 1 3 361.599 3.410 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328283 742140808 /nfs/dbraw/zinc/14/08/08/742140808.db2.gz WPJQOLHVXQOXLA-RBUKOAKNSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328283 742140810 /nfs/dbraw/zinc/14/08/10/742140810.db2.gz WPJQOLHVXQOXLA-RBUKOAKNSA-N 1 3 350.478 3.250 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000904390777 743951207 /nfs/dbraw/zinc/95/12/07/743951207.db2.gz CJAFPQCRVLLIMG-MRXNPFEDSA-N 1 3 363.933 3.270 20 0 FGADHO CC[C@@](O)(CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074330 743991636 /nfs/dbraw/zinc/99/16/36/743991636.db2.gz GQXYJUYOFFHFGO-DZGCQCFKSA-N 1 3 350.450 3.253 20 0 FGADHO CC[C@@](O)(CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074330 743991639 /nfs/dbraw/zinc/99/16/39/743991639.db2.gz GQXYJUYOFFHFGO-DZGCQCFKSA-N 1 3 350.450 3.253 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000918121131 758304887 /nfs/dbraw/zinc/30/48/87/758304887.db2.gz KZXBMUVFBHZGAW-FUHWJXTLSA-N 1 3 366.575 3.305 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391402 759110235 /nfs/dbraw/zinc/11/02/35/759110235.db2.gz FEMXULDOYJNZIR-ZSGPHXLJSA-N 1 3 373.324 3.388 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925779968 759535521 /nfs/dbraw/zinc/53/55/21/759535521.db2.gz CNIQNNGGGBPDBA-SMDDNHRTSA-N 1 3 352.454 3.409 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858188 759561696 /nfs/dbraw/zinc/56/16/96/759561696.db2.gz UGSHVUZBRTYEIK-CHWSQXEVSA-N 1 3 356.388 3.041 20 0 FGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795068 759822042 /nfs/dbraw/zinc/82/20/42/759822042.db2.gz GSQJUCSORJDYAV-QGZVFWFLSA-N 1 3 366.571 3.294 20 0 FGADHO CC(C)CC[NH+]1CCC(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795068 759822047 /nfs/dbraw/zinc/82/20/47/759822047.db2.gz GSQJUCSORJDYAV-QGZVFWFLSA-N 1 3 366.571 3.294 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879520 759837025 /nfs/dbraw/zinc/83/70/25/759837025.db2.gz LJLXLLZRMRGDGK-WUOIFLIFSA-N 1 3 363.933 3.182 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879520 759837032 /nfs/dbraw/zinc/83/70/32/759837032.db2.gz LJLXLLZRMRGDGK-WUOIFLIFSA-N 1 3 363.933 3.182 20 0 FGADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641369 /nfs/dbraw/zinc/64/13/69/760641369.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 1 3 354.416 3.196 20 0 FGADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641374 /nfs/dbraw/zinc/64/13/74/760641374.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 1 3 354.416 3.196 20 0 FGADHO CN1C[C@]2(C)C[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@@]2(C)C1 ZINC000931305783 760822841 /nfs/dbraw/zinc/82/28/41/760822841.db2.gz DAMULVSSJOSUSK-FSPWUOQZSA-N 1 3 373.324 3.007 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028552124 766124639 /nfs/dbraw/zinc/12/46/39/766124639.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028552124 766124645 /nfs/dbraw/zinc/12/46/45/766124645.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 1 3 363.933 3.008 20 0 FGADHO O[C@@H](CNCC(Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000576794837 505595933 /nfs/dbraw/zinc/59/59/33/505595933.db2.gz ISXOJAISRLZTFR-QHCPKHFHSA-N 1 3 352.522 3.134 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CCCC4)CC3)CC2)CC1 ZINC000568106812 505617753 /nfs/dbraw/zinc/61/77/53/505617753.db2.gz XCUOKAQLPUGGLK-UHFFFAOYSA-N 1 3 361.574 3.366 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568189418 505639158 /nfs/dbraw/zinc/63/91/58/505639158.db2.gz HQLBLTDRLJDPAJ-UHFFFAOYSA-N 1 3 359.558 3.375 20 0 FGADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000057847545 493808689 /nfs/dbraw/zinc/80/86/89/493808689.db2.gz OJWSSRMGGMTDDB-INIZCTEOSA-N 1 3 363.571 3.075 20 0 FGADHO CN(C)CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058296882 493842924 /nfs/dbraw/zinc/84/29/24/493842924.db2.gz BZSNQBBVVVJNSO-UHFFFAOYSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000069017161 493907595 /nfs/dbraw/zinc/90/75/95/493907595.db2.gz ZKVFVRNMCWWPDW-OALUTQOASA-N 1 3 368.525 3.194 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000069766610 494008882 /nfs/dbraw/zinc/00/88/82/494008882.db2.gz OZTYFILTAHRSQK-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000052559844 494040149 /nfs/dbraw/zinc/04/01/49/494040149.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 1 3 372.557 3.345 20 0 FGADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000052559844 494040152 /nfs/dbraw/zinc/04/01/52/494040152.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358853 494116593 /nfs/dbraw/zinc/11/65/93/494116593.db2.gz DPZUQMRDMQURSB-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085366860 494117316 /nfs/dbraw/zinc/11/73/16/494117316.db2.gz NJKBRVNMZYYPBB-KRWDZBQOSA-N 1 3 362.562 3.256 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000077644951 494131225 /nfs/dbraw/zinc/13/12/25/494131225.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000077644951 494131228 /nfs/dbraw/zinc/13/12/28/494131228.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N(C)C)cc1 ZINC000065476827 494202678 /nfs/dbraw/zinc/20/26/78/494202678.db2.gz GJKLLVCAOBJPDE-HXUWFJFHSA-N 1 3 360.546 3.209 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000072796786 494252064 /nfs/dbraw/zinc/25/20/64/494252064.db2.gz VVFBOKQSVSKOCE-NRFANRHFSA-N 1 3 366.509 3.026 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000078559865 494320288 /nfs/dbraw/zinc/32/02/88/494320288.db2.gz VYBHFLTYMWVSKB-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038537 494431357 /nfs/dbraw/zinc/43/13/57/494431357.db2.gz YAMNWZXMXCLZQS-OAQYLSRUSA-N 1 3 353.510 3.089 20 0 FGADHO O[C@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000090914209 494503610 /nfs/dbraw/zinc/50/36/10/494503610.db2.gz BHZVYALTZFRRTD-PKTZIBPZSA-N 1 3 371.569 3.009 20 0 FGADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074447603 494539321 /nfs/dbraw/zinc/53/93/21/494539321.db2.gz KSTZNSXOJXYQQR-JOCHJYFZSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000067507514 494555115 /nfs/dbraw/zinc/55/51/15/494555115.db2.gz PYBDBPUYWWEUQR-IBGZPJMESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000067570991 494570499 /nfs/dbraw/zinc/57/04/99/494570499.db2.gz LSZQNCSSZPOQGU-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055567 494577670 /nfs/dbraw/zinc/57/76/70/494577670.db2.gz SHLIEIQVHQUJBG-PZJWPPBQSA-N 1 3 374.573 3.458 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000067705646 494616494 /nfs/dbraw/zinc/61/64/94/494616494.db2.gz WCEUUQSSGUFZTH-NRFANRHFSA-N 1 3 368.525 3.159 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773240 494643390 /nfs/dbraw/zinc/64/33/90/494643390.db2.gz POCLACBOANKHFD-LJQANCHMSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587318 494677357 /nfs/dbraw/zinc/67/73/57/494677357.db2.gz ZJPDUNQPTCPQNO-ROUUACIJSA-N 1 3 356.510 3.284 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608525 505735596 /nfs/dbraw/zinc/73/55/96/505735596.db2.gz DLYUKVOIVNGIPG-WBVHZDCISA-N 1 3 364.559 3.092 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)CC(C)(C)C)CC2)CC1 ZINC000131658152 494689166 /nfs/dbraw/zinc/68/91/66/494689166.db2.gz QKXNSIWEMQCGQX-UHFFFAOYSA-N 1 3 352.567 3.059 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000131957119 494784704 /nfs/dbraw/zinc/78/47/04/494784704.db2.gz YKFIXURDBOHBKK-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC(C)CC2)CC1 ZINC000116529473 494808859 /nfs/dbraw/zinc/80/88/59/494808859.db2.gz REFDCRRUTYFOSD-IBGZPJMESA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)c(OC)c1OC ZINC000093688422 494912149 /nfs/dbraw/zinc/91/21/49/494912149.db2.gz SVSYFAFJEKYFFU-UHFFFAOYSA-N 1 3 350.503 3.266 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000122131840 494929215 /nfs/dbraw/zinc/92/92/15/494929215.db2.gz QUESMYGXIZZPRE-ROUUACIJSA-N 1 3 352.544 3.093 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000122131840 494929219 /nfs/dbraw/zinc/92/92/19/494929219.db2.gz QUESMYGXIZZPRE-ROUUACIJSA-N 1 3 352.544 3.093 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110608332 494994143 /nfs/dbraw/zinc/99/41/43/494994143.db2.gz FTBNTUFDRHAXBW-IBGZPJMESA-N 1 3 371.569 3.319 20 0 FGADHO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110690521 495000831 /nfs/dbraw/zinc/00/08/31/495000831.db2.gz ORUUHUSPKVFIFQ-UGKGYDQZSA-N 1 3 369.553 3.026 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cccn3Cc3cccs3)CC2)CC1 ZINC000118951928 495056111 /nfs/dbraw/zinc/05/61/11/495056111.db2.gz PHUCHLSIJOPZCF-UHFFFAOYSA-N 1 3 372.582 3.246 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571535593 505757274 /nfs/dbraw/zinc/75/72/74/505757274.db2.gz RNNGTSNBFSLPSO-UHFFFAOYSA-N 1 3 367.537 3.431 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000111801060 495112927 /nfs/dbraw/zinc/11/29/27/495112927.db2.gz RUJNHWSYGGBBTO-KRWDZBQOSA-N 1 3 364.559 3.057 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000102005437 495114276 /nfs/dbraw/zinc/11/42/76/495114276.db2.gz FBDDQHKUHDKIBZ-HXUWFJFHSA-N 1 3 360.546 3.019 20 0 FGADHO CN(C)Cc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000577606658 505763083 /nfs/dbraw/zinc/76/30/83/505763083.db2.gz FNCFFEGGUFPDIP-UHFFFAOYSA-N 1 3 350.466 3.304 20 0 FGADHO C[C@H]1C[C@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633476 495163447 /nfs/dbraw/zinc/16/34/47/495163447.db2.gz BCEHNENLPBYUSN-WEYGHZABSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H]1C[C@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633476 495163449 /nfs/dbraw/zinc/16/34/49/495163449.db2.gz BCEHNENLPBYUSN-WEYGHZABSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305521 495217007 /nfs/dbraw/zinc/21/70/07/495217007.db2.gz SZNGRIMQVAHDES-WOJBJXKFSA-N 1 3 364.578 3.158 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749881 495236290 /nfs/dbraw/zinc/23/62/90/495236290.db2.gz NZTPKQUPUMEMMB-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967520 495279208 /nfs/dbraw/zinc/27/92/08/495279208.db2.gz OEMXTDXDARIEKW-TZIWHRDSSA-N 1 3 357.542 3.230 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967520 495279212 /nfs/dbraw/zinc/27/92/12/495279212.db2.gz OEMXTDXDARIEKW-TZIWHRDSSA-N 1 3 357.542 3.230 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000120068270 495300099 /nfs/dbraw/zinc/30/00/99/495300099.db2.gz GNRYTYQYVNVDHG-XVAXZDLZSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000113615061 495321243 /nfs/dbraw/zinc/32/12/43/495321243.db2.gz LCRQPTSCVJKAFJ-KRWDZBQOSA-N 1 3 360.546 3.147 20 0 FGADHO Cc1nccn1CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000125086744 495388443 /nfs/dbraw/zinc/38/84/43/495388443.db2.gz VEQDQYVEGKQTLW-RTBURBONSA-N 1 3 362.562 3.183 20 0 FGADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326634 495426995 /nfs/dbraw/zinc/42/69/95/495426995.db2.gz SILJVOLGSNXUBW-GGAORHGYSA-N 1 3 372.601 3.217 20 0 FGADHO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000125355967 495430770 /nfs/dbraw/zinc/43/07/70/495430770.db2.gz IRLDLSPOXAMQSL-IERDGZPVSA-N 1 3 358.482 3.020 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000125615161 495472028 /nfs/dbraw/zinc/47/20/28/495472028.db2.gz JGLBIVCHKFPWKN-IAGOWNOFSA-N 1 3 367.559 3.221 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000154288611 495569825 /nfs/dbraw/zinc/56/98/25/495569825.db2.gz VKMTUEALYNWIHA-SFHVURJKSA-N 1 3 373.463 3.010 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000154301576 495574354 /nfs/dbraw/zinc/57/43/54/495574354.db2.gz SWMGZZQOJDLXJH-QGZVFWFLSA-N 1 3 355.473 3.356 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC(F)F)cc1 ZINC000154313303 495577876 /nfs/dbraw/zinc/57/78/76/495577876.db2.gz CCVMAXNNXATUMJ-GOSISDBHSA-N 1 3 355.473 3.356 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154320835 495579915 /nfs/dbraw/zinc/57/99/15/495579915.db2.gz AJOFKGVHYKRVMU-AWEZNQCLSA-N 1 3 359.436 3.105 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000179469193 495603667 /nfs/dbraw/zinc/60/36/67/495603667.db2.gz MGNAEJHLEAOKKI-KRWDZBQOSA-N 1 3 362.481 3.230 20 0 FGADHO COc1cc(OC)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1Cl ZINC000154424309 495612812 /nfs/dbraw/zinc/61/28/12/495612812.db2.gz QVTYVQBQRVQCBO-HNNXBMFYSA-N 1 3 369.937 3.035 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000158983976 495630372 /nfs/dbraw/zinc/63/03/72/495630372.db2.gz OQHPYPOCZQPTRX-GOSISDBHSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000182692829 495666050 /nfs/dbraw/zinc/66/60/50/495666050.db2.gz QYRKOCNJEVURAK-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000173823428 495708237 /nfs/dbraw/zinc/70/82/37/495708237.db2.gz KGSCAEBYXFHCET-SQNIBIBYSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000173823428 495708244 /nfs/dbraw/zinc/70/82/44/495708244.db2.gz KGSCAEBYXFHCET-SQNIBIBYSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630964 505801746 /nfs/dbraw/zinc/80/17/46/505801746.db2.gz QKBJZEMCRZVTHD-VQIMIIECSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630964 505801747 /nfs/dbraw/zinc/80/17/47/505801747.db2.gz QKBJZEMCRZVTHD-VQIMIIECSA-N 1 3 364.493 3.322 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000577839740 505802376 /nfs/dbraw/zinc/80/23/76/505802376.db2.gz OMODUUSDFHOCRU-MRXNPFEDSA-N 1 3 362.587 3.251 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000577846772 505803267 /nfs/dbraw/zinc/80/32/67/505803267.db2.gz ZIBWPFOJGITETD-UXLLHSPISA-N 1 3 351.560 3.271 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000577847180 505804285 /nfs/dbraw/zinc/80/42/85/505804285.db2.gz ZSZDVIOSQMDUFZ-BJLQDIEVSA-N 1 3 363.933 3.139 20 0 FGADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000183073112 495823533 /nfs/dbraw/zinc/82/35/33/495823533.db2.gz YLWVOPPWMHWCMM-SFHVURJKSA-N 1 3 356.514 3.142 20 0 FGADHO CCCN1CCN(c2ccccc2CNC2CC[NH+](C(C)C)CC2)CC1 ZINC000151389495 495825329 /nfs/dbraw/zinc/82/53/29/495825329.db2.gz NVJJBOUNXBBDKP-UHFFFAOYSA-N 1 3 358.574 3.181 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180050275 495837969 /nfs/dbraw/zinc/83/79/69/495837969.db2.gz RWBXDXAYXFIMNG-UHFFFAOYSA-N 1 3 367.497 3.181 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139533 495851109 /nfs/dbraw/zinc/85/11/09/495851109.db2.gz JBKLOUHWICZRSH-XPWALMASSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cccc(CO)c1 ZINC000183236636 495892389 /nfs/dbraw/zinc/89/23/89/495892389.db2.gz KMIXGINIDLHHJW-FQEVSTJZSA-N 1 3 367.537 3.432 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(C[NH+](C)C)cc1 ZINC000183308620 495925109 /nfs/dbraw/zinc/92/51/09/495925109.db2.gz CEBDNLONGDSZLJ-QHCPKHFHSA-N 1 3 367.537 3.220 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1SC ZINC000174428362 495955430 /nfs/dbraw/zinc/95/54/30/495955430.db2.gz UVFHQPNJBDRDPP-MRXNPFEDSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1SC ZINC000174428362 495955434 /nfs/dbraw/zinc/95/54/34/495955434.db2.gz UVFHQPNJBDRDPP-MRXNPFEDSA-N 1 3 364.559 3.288 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1c(C)nc2ccccn2c1=O ZINC000577903885 505815137 /nfs/dbraw/zinc/81/51/37/505815137.db2.gz PUQAMGOBWWUPNI-QUCCMNQESA-N 1 3 370.541 3.036 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903885 505815142 /nfs/dbraw/zinc/81/51/42/505815142.db2.gz PUQAMGOBWWUPNI-QUCCMNQESA-N 1 3 370.541 3.036 20 0 FGADHO CC[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180771997 496140038 /nfs/dbraw/zinc/14/00/38/496140038.db2.gz QEGXQUTVRZGZPY-SFTDATJTSA-N 1 3 369.509 3.155 20 0 FGADHO CC(C)COC(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000152494156 496168897 /nfs/dbraw/zinc/16/88/97/496168897.db2.gz YSEPSBFIBGKRGO-UHFFFAOYSA-N 1 3 351.535 3.240 20 0 FGADHO Cc1cccc(C(C)(C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000152621629 496206242 /nfs/dbraw/zinc/20/62/42/496206242.db2.gz JMTCPAJSKDPWAJ-UHFFFAOYSA-N 1 3 372.557 3.088 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000175011674 496206341 /nfs/dbraw/zinc/20/63/41/496206341.db2.gz AXPLSDPLZIVPIS-LQWHRVPQSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000175011674 496206347 /nfs/dbraw/zinc/20/63/47/496206347.db2.gz AXPLSDPLZIVPIS-LQWHRVPQSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175011674 496206355 /nfs/dbraw/zinc/20/63/55/496206355.db2.gz AXPLSDPLZIVPIS-LQWHRVPQSA-N 1 3 372.557 3.336 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034319 496297505 /nfs/dbraw/zinc/29/75/05/496297505.db2.gz OZGMQNCGDWPLDW-ZIAGYGMSSA-N 1 3 372.326 3.265 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000178037838 496299187 /nfs/dbraw/zinc/29/91/87/496299187.db2.gz VOHQKRUNAVKFIL-BZSNNMDCSA-N 1 3 364.530 3.114 20 0 FGADHO C[N@@H+]1CCC[C@H]1CCNC(C)(C)COc1ncccc1Br ZINC000181518467 496429885 /nfs/dbraw/zinc/42/98/85/496429885.db2.gz OQLOBCVGXFALBK-ZDUSSCGKSA-N 1 3 356.308 3.075 20 0 FGADHO C[N@H+]1CCC[C@H]1CCNC(C)(C)COc1ncccc1Br ZINC000181518467 496429891 /nfs/dbraw/zinc/42/98/91/496429891.db2.gz OQLOBCVGXFALBK-ZDUSSCGKSA-N 1 3 356.308 3.075 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175562913 496444116 /nfs/dbraw/zinc/44/41/16/496444116.db2.gz WGFHLPOEXGRKNJ-UHFFFAOYSA-N 1 3 357.498 3.487 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1 ZINC000178411642 496446916 /nfs/dbraw/zinc/44/69/16/496446916.db2.gz PKBGPQBLLAOZNY-INIZCTEOSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+]1CCCC1 ZINC000178411642 496446920 /nfs/dbraw/zinc/44/69/20/496446920.db2.gz PKBGPQBLLAOZNY-INIZCTEOSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@H]1C[C@@H](NCCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522109 496485874 /nfs/dbraw/zinc/48/58/74/496485874.db2.gz BFQOCSWSRYYGTH-SUMWQHHRSA-N 1 3 367.331 3.434 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574750337 505847497 /nfs/dbraw/zinc/84/74/97/505847497.db2.gz OXUKERNCBWLJPD-WAOWUJCRSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574750337 505847500 /nfs/dbraw/zinc/84/75/00/505847500.db2.gz OXUKERNCBWLJPD-WAOWUJCRSA-N 1 3 374.550 3.469 20 0 FGADHO C[C@H](c1cccc(F)c1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984240 496509714 /nfs/dbraw/zinc/50/97/14/496509714.db2.gz XBTXUJMVIHOADF-MRXNPFEDSA-N 1 3 363.521 3.303 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175774004 496539640 /nfs/dbraw/zinc/53/96/40/496539640.db2.gz ACZAZBVGDRBDDV-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732366 496540568 /nfs/dbraw/zinc/54/05/68/496540568.db2.gz STWNRKNNTKHQDT-FQEVSTJZSA-N 1 3 358.530 3.055 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732366 496540576 /nfs/dbraw/zinc/54/05/76/496540576.db2.gz STWNRKNNTKHQDT-FQEVSTJZSA-N 1 3 358.530 3.055 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3nccnc3C)CC2)c1 ZINC000187732202 496550162 /nfs/dbraw/zinc/55/01/62/496550162.db2.gz GFEUFPUYANRGLB-LJQANCHMSA-N 1 3 367.541 3.346 20 0 FGADHO CCCN1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000163926224 496570821 /nfs/dbraw/zinc/57/08/21/496570821.db2.gz IBMMBKVMXHWPTN-UHFFFAOYSA-N 1 3 372.601 3.048 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000181967502 496617023 /nfs/dbraw/zinc/61/70/23/496617023.db2.gz ZOIZQPQZZWFNMU-QZTJIDSGSA-N 1 3 368.562 3.320 20 0 FGADHO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](N)c1ccccc1 ZINC000164729178 496629852 /nfs/dbraw/zinc/62/98/52/496629852.db2.gz OBTPWHPNACEQCL-DYESRHJHSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158182951 496645154 /nfs/dbraw/zinc/64/51/54/496645154.db2.gz JMBXYGQNJOWQDD-MRXNPFEDSA-N 1 3 370.534 3.392 20 0 FGADHO COc1ccc([C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969123 496674357 /nfs/dbraw/zinc/67/43/57/496674357.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccc([C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969123 496674360 /nfs/dbraw/zinc/67/43/60/496674360.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 1 3 357.542 3.439 20 0 FGADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000166468764 496687124 /nfs/dbraw/zinc/68/71/24/496687124.db2.gz PPWQLQFANQZIBO-JOCHJYFZSA-N 1 3 365.521 3.454 20 0 FGADHO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503203 496787432 /nfs/dbraw/zinc/78/74/32/496787432.db2.gz BWMYKQZIFKNIFO-CTNGQTDRSA-N 1 3 359.558 3.289 20 0 FGADHO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503203 496787440 /nfs/dbraw/zinc/78/74/40/496787440.db2.gz BWMYKQZIFKNIFO-CTNGQTDRSA-N 1 3 359.558 3.289 20 0 FGADHO CC[NH+]1CCC(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000268991321 496844140 /nfs/dbraw/zinc/84/41/40/496844140.db2.gz GHBDWKRWEKDXNJ-JOCHJYFZSA-N 1 3 354.494 3.373 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247398505 496851185 /nfs/dbraw/zinc/85/11/85/496851185.db2.gz RDALGCVXFLAXPH-QKNQBKEWSA-N 1 3 374.573 3.411 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264312645 496870004 /nfs/dbraw/zinc/87/00/04/496870004.db2.gz NZXBNFKMWVSQLU-OAQYLSRUSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264312645 496870010 /nfs/dbraw/zinc/87/00/10/496870010.db2.gz NZXBNFKMWVSQLU-OAQYLSRUSA-N 1 3 365.521 3.043 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000574875311 505873657 /nfs/dbraw/zinc/87/36/57/505873657.db2.gz XUXUYUKMPSXWOA-AEFFLSMTSA-N 1 3 365.949 3.256 20 0 FGADHO Fc1cc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000192051764 496977010 /nfs/dbraw/zinc/97/70/10/496977010.db2.gz PVZYNMHWIPULFD-UHFFFAOYSA-N 1 3 370.896 3.435 20 0 FGADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248397630 496994298 /nfs/dbraw/zinc/99/42/98/496994298.db2.gz IFWTZSLJNIIYLZ-BHDDXSALSA-N 1 3 352.526 3.243 20 0 FGADHO c1c(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432723 497096987 /nfs/dbraw/zinc/09/69/87/497096987.db2.gz WBOFHUZSWNXKFS-DFQSSKMNSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432723 497096994 /nfs/dbraw/zinc/09/69/94/497096994.db2.gz WBOFHUZSWNXKFS-DFQSSKMNSA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432723 497096999 /nfs/dbraw/zinc/09/69/99/497096999.db2.gz WBOFHUZSWNXKFS-DFQSSKMNSA-N 1 3 368.550 3.032 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477412 497127619 /nfs/dbraw/zinc/12/76/19/497127619.db2.gz AQOAAQSDMCKFLK-HOTGVXAUSA-N 1 3 361.555 3.448 20 0 FGADHO C[C@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C[C@H](C)O1 ZINC000248994543 497147360 /nfs/dbraw/zinc/14/73/60/497147360.db2.gz OKVZNGCIBGTVQE-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C[C@H](C)O1 ZINC000248994543 497147367 /nfs/dbraw/zinc/14/73/67/497147367.db2.gz OKVZNGCIBGTVQE-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@H](C)O1 ZINC000248994543 497147372 /nfs/dbraw/zinc/14/73/72/497147372.db2.gz OKVZNGCIBGTVQE-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO CCN1CCN(CCCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278571744 497156203 /nfs/dbraw/zinc/15/62/03/497156203.db2.gz CUNQSFBFHLKPIL-UHFFFAOYSA-N 1 3 355.929 3.419 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192582464 497156341 /nfs/dbraw/zinc/15/63/41/497156341.db2.gz KSKLUITWIFSOGF-AVRDEDQJSA-N 1 3 369.553 3.372 20 0 FGADHO COc1ccc([C@@H](CCO)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627528 497165236 /nfs/dbraw/zinc/16/52/36/497165236.db2.gz LNDQFBYLAQYJQW-HTAPYJJXSA-N 1 3 372.509 3.410 20 0 FGADHO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274889973 497191776 /nfs/dbraw/zinc/19/17/76/497191776.db2.gz JFQCWHRHYAOOIH-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1CCN(C2CC2)CC1 ZINC000192715486 497193449 /nfs/dbraw/zinc/19/34/49/497193449.db2.gz WYLUIAFLZWUFTO-UHFFFAOYSA-N 1 3 363.571 3.293 20 0 FGADHO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249483736 497210016 /nfs/dbraw/zinc/21/00/16/497210016.db2.gz TZGUFWCPTGKKAR-GUDVDZBRSA-N 1 3 363.571 3.059 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000192786812 497214178 /nfs/dbraw/zinc/21/41/78/497214178.db2.gz GHXSFSUXJLCUIA-GOSISDBHSA-N 1 3 372.557 3.102 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237343432 497222848 /nfs/dbraw/zinc/22/28/48/497222848.db2.gz ZNKVJGPEDPEMLN-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237343432 497222851 /nfs/dbraw/zinc/22/28/51/497222851.db2.gz ZNKVJGPEDPEMLN-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237455357 497239834 /nfs/dbraw/zinc/23/98/34/497239834.db2.gz NTVPWOREDZDXDW-IZBPLUDHSA-N 1 3 355.526 3.249 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000266246653 497287690 /nfs/dbraw/zinc/28/76/90/497287690.db2.gz RDGKSVFGFHNMQM-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO [NH3+][C@@H](CCC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000237934408 497316214 /nfs/dbraw/zinc/31/62/14/497316214.db2.gz GWQWTCASMSREDI-NRFANRHFSA-N 1 3 351.494 3.031 20 0 FGADHO NC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000238031291 497330312 /nfs/dbraw/zinc/33/03/12/497330312.db2.gz FKPXFCRZMSDVLL-OAQYLSRUSA-N 1 3 351.494 3.031 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455735 497353590 /nfs/dbraw/zinc/35/35/90/497353590.db2.gz JEISOAWYHUSSBI-WMZOPIPTSA-N 1 3 350.503 3.018 20 0 FGADHO O=C(NC1CC1)c1ccc(C[N@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000193466820 497386983 /nfs/dbraw/zinc/38/69/83/497386983.db2.gz VHHFINMYNKHIJT-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(NC1CC1)c1ccc(C[N@@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000193466820 497386988 /nfs/dbraw/zinc/38/69/88/497386988.db2.gz VHHFINMYNKHIJT-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000271665971 497413207 /nfs/dbraw/zinc/41/32/07/497413207.db2.gz FHUPEFMNJQMZOI-INIZCTEOSA-N 1 3 356.482 3.425 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728541 497415437 /nfs/dbraw/zinc/41/54/37/497415437.db2.gz ZOTCEWDBMAQDMQ-HZEGPAAWSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728541 497415442 /nfs/dbraw/zinc/41/54/42/497415442.db2.gz ZOTCEWDBMAQDMQ-HZEGPAAWSA-N 1 3 368.525 3.283 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000193605180 497425524 /nfs/dbraw/zinc/42/55/24/497425524.db2.gz DFVUOSDDPCJGBK-UHFFFAOYSA-N 1 3 357.542 3.198 20 0 FGADHO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000190436144 497479577 /nfs/dbraw/zinc/47/95/77/497479577.db2.gz QXTDZARMWLLYGT-SFTDATJTSA-N 1 3 368.525 3.377 20 0 FGADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OCc1c(C)noc1C ZINC000271909902 497485908 /nfs/dbraw/zinc/48/59/08/497485908.db2.gz RXABJSURJFEPNJ-UHFFFAOYSA-N 1 3 371.481 3.231 20 0 FGADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OCc1c(C)noc1C ZINC000271909902 497485915 /nfs/dbraw/zinc/48/59/15/497485915.db2.gz RXABJSURJFEPNJ-UHFFFAOYSA-N 1 3 371.481 3.231 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245652605 497489366 /nfs/dbraw/zinc/48/93/66/497489366.db2.gz CAWAJPFEYCRROI-SOLBZPMBSA-N 1 3 366.575 3.161 20 0 FGADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117918 497510329 /nfs/dbraw/zinc/51/03/29/497510329.db2.gz BRWAOLHPEJPGAE-KFKAGJAMSA-N 1 3 363.933 3.371 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272206564 497563975 /nfs/dbraw/zinc/56/39/75/497563975.db2.gz PLQPETLNVDZCHW-XLIONFOSSA-N 1 3 372.534 3.090 20 0 FGADHO [NH3+]C1(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCCC1 ZINC000262649716 497591490 /nfs/dbraw/zinc/59/14/90/497591490.db2.gz QJEXRSSIGMNQRW-UHFFFAOYSA-N 1 3 372.513 3.101 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146825 497637763 /nfs/dbraw/zinc/63/77/63/497637763.db2.gz JZCRVDMBUVNADG-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[NH+](C)Cc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280107715 497651559 /nfs/dbraw/zinc/65/15/59/497651559.db2.gz BUFOXPLYJPFKCI-UHFFFAOYSA-N 1 3 355.873 3.272 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272550640 497659295 /nfs/dbraw/zinc/65/92/95/497659295.db2.gz FENQLWKXDRZVPL-IFMALSPDSA-N 1 3 371.569 3.132 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961452 497667237 /nfs/dbraw/zinc/66/72/37/497667237.db2.gz KTAZRVHQKVODQK-NRFANRHFSA-N 1 3 371.569 3.355 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000246297783 497687331 /nfs/dbraw/zinc/68/73/31/497687331.db2.gz CTSNZVBIQOUZKU-GDIGMMSISA-N 1 3 350.478 3.253 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000246315041 497694036 /nfs/dbraw/zinc/69/40/36/497694036.db2.gz BOJUBRVKZALGFH-QMMLZNLJSA-N 1 3 374.573 3.223 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000246315041 497694041 /nfs/dbraw/zinc/69/40/41/497694041.db2.gz BOJUBRVKZALGFH-QMMLZNLJSA-N 1 3 374.573 3.223 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246380726 497714311 /nfs/dbraw/zinc/71/43/11/497714311.db2.gz HPDCILBTUXGVRD-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246380726 497714317 /nfs/dbraw/zinc/71/43/17/497714317.db2.gz HPDCILBTUXGVRD-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389165 497717094 /nfs/dbraw/zinc/71/70/94/497717094.db2.gz OEMXTDXDARIEKW-PZJWPPBQSA-N 1 3 357.542 3.230 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389165 497717097 /nfs/dbraw/zinc/71/70/97/497717097.db2.gz OEMXTDXDARIEKW-PZJWPPBQSA-N 1 3 357.542 3.230 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272743654 497717778 /nfs/dbraw/zinc/71/77/78/497717778.db2.gz RJZKFLZVCQCJST-KRWDZBQOSA-N 1 3 374.529 3.179 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000246413006 497725148 /nfs/dbraw/zinc/72/51/48/497725148.db2.gz MOFQJSMYYSWTFK-NJDAHSKKSA-N 1 3 360.567 3.375 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432738 497731786 /nfs/dbraw/zinc/73/17/86/497731786.db2.gz MTTVVBYDNGVZKK-TYPHKJRUSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432738 497731793 /nfs/dbraw/zinc/73/17/93/497731793.db2.gz MTTVVBYDNGVZKK-TYPHKJRUSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000263275594 497747413 /nfs/dbraw/zinc/74/74/13/497747413.db2.gz QNAAXYXKQSNNMR-KURKYZTESA-N 1 3 363.571 3.102 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000280447412 497756822 /nfs/dbraw/zinc/75/68/22/497756822.db2.gz DBVAEBLTHADZEF-NRFANRHFSA-N 1 3 366.509 3.004 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277169695 497764070 /nfs/dbraw/zinc/76/40/70/497764070.db2.gz RUDXNSLLZWCIRI-INIZCTEOSA-N 1 3 369.347 3.063 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780715 /nfs/dbraw/zinc/78/07/15/497780715.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780716 /nfs/dbraw/zinc/78/07/16/497780716.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000246583457 497781308 /nfs/dbraw/zinc/78/13/08/497781308.db2.gz YTMAKLPQQXFEJQ-ONGXBYRLSA-N 1 3 359.514 3.064 20 0 FGADHO CSC1(CN[C@@H](Cc2ccccn2)c2cccnc2)CC[NH+](C)CC1 ZINC000578405044 505931480 /nfs/dbraw/zinc/93/14/80/505931480.db2.gz MTTRFMNJYGQGOC-IBGZPJMESA-N 1 3 356.539 3.177 20 0 FGADHO CSC1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCN(C)CC1 ZINC000578405044 505931483 /nfs/dbraw/zinc/93/14/83/505931483.db2.gz MTTRFMNJYGQGOC-IBGZPJMESA-N 1 3 356.539 3.177 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292175879 497910201 /nfs/dbraw/zinc/91/02/01/497910201.db2.gz OILVAIDENQFUDB-QGZVFWFLSA-N 1 3 366.509 3.351 20 0 FGADHO C[C@@H](NCCc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357379 497917352 /nfs/dbraw/zinc/91/73/52/497917352.db2.gz RMQPRXLNLIHJDV-UTKZUKDTSA-N 1 3 350.510 3.397 20 0 FGADHO C[C@@H](NCCc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357379 497917359 /nfs/dbraw/zinc/91/73/59/497917359.db2.gz RMQPRXLNLIHJDV-UTKZUKDTSA-N 1 3 350.510 3.397 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000285218672 498025153 /nfs/dbraw/zinc/02/51/53/498025153.db2.gz XKUQPDYAFXFGMU-PKOBYXMFSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218672 498025136 /nfs/dbraw/zinc/02/51/36/498025136.db2.gz XKUQPDYAFXFGMU-PKOBYXMFSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218672 498025145 /nfs/dbraw/zinc/02/51/45/498025145.db2.gz XKUQPDYAFXFGMU-PKOBYXMFSA-N 1 3 355.526 3.208 20 0 FGADHO c1cn(Cc2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000569566675 505966497 /nfs/dbraw/zinc/96/64/97/505966497.db2.gz OSBHZFVKJRGVPU-FYYLOGMGSA-N 1 3 374.488 3.277 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487764 498063300 /nfs/dbraw/zinc/06/33/00/498063300.db2.gz PKSQSEMZLGSIRZ-PKOBYXMFSA-N 1 3 371.912 3.469 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487764 498063305 /nfs/dbraw/zinc/06/33/05/498063305.db2.gz PKSQSEMZLGSIRZ-PKOBYXMFSA-N 1 3 371.912 3.469 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000581373773 505973703 /nfs/dbraw/zinc/97/37/03/505973703.db2.gz IXDRCUIEDLYURB-QFIPXVFZSA-N 1 3 372.557 3.213 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccccc1Br)C2 ZINC000285527595 498116761 /nfs/dbraw/zinc/11/67/61/498116761.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 1 3 353.304 3.040 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccccc1Br)C2 ZINC000285527595 498116765 /nfs/dbraw/zinc/11/67/65/498116765.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 1 3 353.304 3.040 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000289404892 498135594 /nfs/dbraw/zinc/13/55/94/498135594.db2.gz LIFKVKNJSGQODK-KRWDZBQOSA-N 1 3 350.503 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000289404892 498135596 /nfs/dbraw/zinc/13/55/96/498135596.db2.gz LIFKVKNJSGQODK-KRWDZBQOSA-N 1 3 350.503 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000289404892 498135598 /nfs/dbraw/zinc/13/55/98/498135598.db2.gz LIFKVKNJSGQODK-KRWDZBQOSA-N 1 3 350.503 3.279 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640479 505987243 /nfs/dbraw/zinc/98/72/43/505987243.db2.gz XYWRJBAMUGBQBT-UZLBHIALSA-N 1 3 368.949 3.489 20 0 FGADHO CN(CCCN(C)C(=O)Nc1cccc(C[NH+](C)C)c1)Cc1ccco1 ZINC000285848629 498218070 /nfs/dbraw/zinc/21/80/70/498218070.db2.gz XSWOPIBRLRFIJO-UHFFFAOYSA-N 1 3 358.486 3.327 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907029 498246661 /nfs/dbraw/zinc/24/66/61/498246661.db2.gz PFNQDVUNKDTFGO-NZSAHSFTSA-N 1 3 363.933 3.470 20 0 FGADHO FC(F)Cn1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)cn1 ZINC000293103831 498269602 /nfs/dbraw/zinc/26/96/02/498269602.db2.gz WSRJOLOFQHIGGS-UHFFFAOYSA-N 1 3 354.470 3.212 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC000360869497 498317059 /nfs/dbraw/zinc/31/70/59/498317059.db2.gz FHYPZHMPBHZVEO-UHFFFAOYSA-N 1 3 359.533 3.297 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286214821 498327025 /nfs/dbraw/zinc/32/70/25/498327025.db2.gz SDGASNBQBHXNNJ-INIZCTEOSA-N 1 3 358.404 3.083 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605259 506026858 /nfs/dbraw/zinc/02/68/58/506026858.db2.gz UYWATYNECOZIAH-TZIWHRDSSA-N 1 3 371.550 3.179 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000293695909 498457865 /nfs/dbraw/zinc/45/78/65/498457865.db2.gz MUAKXBSGNPVUGC-SFHVURJKSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000293695909 498457869 /nfs/dbraw/zinc/45/78/69/498457869.db2.gz MUAKXBSGNPVUGC-SFHVURJKSA-N 1 3 355.526 3.229 20 0 FGADHO CN(c1ccccc1CNCc1ccc2cncn2c1)C1CC[NH+](C)CC1 ZINC000297507003 498475085 /nfs/dbraw/zinc/47/50/85/498475085.db2.gz LXCPROKQPPOKLL-UHFFFAOYSA-N 1 3 363.509 3.155 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581679972 506042812 /nfs/dbraw/zinc/04/28/12/506042812.db2.gz VAECUNIGVMMDGN-QZNHQXDQSA-N 1 3 368.496 3.183 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581679972 506042813 /nfs/dbraw/zinc/04/28/13/506042813.db2.gz VAECUNIGVMMDGN-QZNHQXDQSA-N 1 3 368.496 3.183 20 0 FGADHO CCC[C@@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000290280855 498493887 /nfs/dbraw/zinc/49/38/87/498493887.db2.gz ZAUDAOBWOVBYLE-JOCHJYFZSA-N 1 3 359.558 3.202 20 0 FGADHO CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000290280855 498493890 /nfs/dbraw/zinc/49/38/90/498493890.db2.gz ZAUDAOBWOVBYLE-JOCHJYFZSA-N 1 3 359.558 3.202 20 0 FGADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773495 506048882 /nfs/dbraw/zinc/04/88/82/506048882.db2.gz SFBOWPJTFIBELX-GFCCVEGCSA-N 1 3 350.450 3.292 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293936375 498538248 /nfs/dbraw/zinc/53/82/48/498538248.db2.gz YHUUBSCBBJWRFY-CQSZACIVSA-N 1 3 372.376 3.115 20 0 FGADHO c1sc(-c2ccccc2)nc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000569931936 506050744 /nfs/dbraw/zinc/05/07/44/506050744.db2.gz QRLLPNVYQYHELV-SFHVURJKSA-N 1 3 370.566 3.317 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000575993921 506051517 /nfs/dbraw/zinc/05/15/17/506051517.db2.gz SFNYLRXAIRXTFE-KRWDZBQOSA-N 1 3 364.493 3.150 20 0 FGADHO COCCCn1nccc1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000282594017 498572967 /nfs/dbraw/zinc/57/29/67/498572967.db2.gz HFXQMZZAXYBQQE-NGRWLJPCSA-N 1 3 370.541 3.166 20 0 FGADHO Brc1cccc(-c2c[nH]c(CNCC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000572822287 506060595 /nfs/dbraw/zinc/06/05/95/506060595.db2.gz JBCBCIXDXSFUSV-ZDUSSCGKSA-N 1 3 363.303 3.319 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043165 506062707 /nfs/dbraw/zinc/06/27/07/506062707.db2.gz DWTHYWGFKVJLFZ-PBASOCQRSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)N(C)C1CC1 ZINC000303297280 498663040 /nfs/dbraw/zinc/66/30/40/498663040.db2.gz YCHXBXODQGFTQK-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1)C(C)C ZINC000294354903 498667084 /nfs/dbraw/zinc/66/70/84/498667084.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1)C(C)C ZINC000294354903 498667090 /nfs/dbraw/zinc/66/70/90/498667090.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 1 3 357.542 3.475 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000581845235 506072598 /nfs/dbraw/zinc/07/25/98/506072598.db2.gz QHMYEPULVXSRHO-OAQYLSRUSA-N 1 3 369.484 3.454 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298278447 498718713 /nfs/dbraw/zinc/71/87/13/498718713.db2.gz GSAWPNRPGUNUAX-KRWDZBQOSA-N 1 3 374.529 3.287 20 0 FGADHO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298283406 498720248 /nfs/dbraw/zinc/72/02/48/498720248.db2.gz GZQRHBATCHFKLC-UHFFFAOYSA-N 1 3 360.502 3.040 20 0 FGADHO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311496205 498751809 /nfs/dbraw/zinc/75/18/09/498751809.db2.gz VSIYOHVPLXRUAO-RTWAWAEBSA-N 1 3 351.494 3.200 20 0 FGADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091761 506088268 /nfs/dbraw/zinc/08/82/68/506088268.db2.gz IGSSFQUEBHHNSA-IFMALSPDSA-N 1 3 371.569 3.274 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149333 506088582 /nfs/dbraw/zinc/08/85/82/506088582.db2.gz SZFMRPBTZBAQQI-UZKOGDIHSA-N 1 3 360.542 3.009 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149333 506088586 /nfs/dbraw/zinc/08/85/86/506088586.db2.gz SZFMRPBTZBAQQI-UZKOGDIHSA-N 1 3 360.542 3.009 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581931424 506092959 /nfs/dbraw/zinc/09/29/59/506092959.db2.gz WEJFJNSEUAKLRZ-FXAWDEMLSA-N 1 3 374.529 3.285 20 0 FGADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684087 498944154 /nfs/dbraw/zinc/94/41/54/498944154.db2.gz WIRXQHDPCNLLLI-KRWDZBQOSA-N 1 3 355.486 3.185 20 0 FGADHO NC(=O)c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000291454967 498946874 /nfs/dbraw/zinc/94/68/74/498946874.db2.gz MQIZTDWSRQQVDP-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO C[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734579 498966145 /nfs/dbraw/zinc/96/61/45/498966145.db2.gz UVSMUUAUDBWRPG-INMHGKMJSA-N 1 3 365.543 3.340 20 0 FGADHO C[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734579 498966149 /nfs/dbraw/zinc/96/61/49/498966149.db2.gz UVSMUUAUDBWRPG-INMHGKMJSA-N 1 3 365.543 3.340 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288221502 498969962 /nfs/dbraw/zinc/96/99/62/498969962.db2.gz SBNWZRXGXVLEPQ-BJLQDIEVSA-N 1 3 360.546 3.051 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288221502 498969959 /nfs/dbraw/zinc/96/99/59/498969959.db2.gz SBNWZRXGXVLEPQ-BJLQDIEVSA-N 1 3 360.546 3.051 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748018 498972596 /nfs/dbraw/zinc/97/25/96/498972596.db2.gz RUAONBQITLRDMH-PBHICJAKSA-N 1 3 356.507 3.144 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782145 498989927 /nfs/dbraw/zinc/98/99/27/498989927.db2.gz GWBJPOYDVNPCMV-ZSZQSSIHSA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782145 498989932 /nfs/dbraw/zinc/98/99/32/498989932.db2.gz GWBJPOYDVNPCMV-ZSZQSSIHSA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000288309145 498991277 /nfs/dbraw/zinc/99/12/77/498991277.db2.gz XFINGXWAOYIGQJ-WMQCIHAUSA-N 1 3 372.557 3.051 20 0 FGADHO CN1CCC([N@@H+]2CC[C@@H](N[C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832658 499016433 /nfs/dbraw/zinc/01/64/33/499016433.db2.gz XQZLFMXOKDFFDI-KNQAVFIVSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@@H](N[C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832658 499016439 /nfs/dbraw/zinc/01/64/39/499016439.db2.gz XQZLFMXOKDFFDI-KNQAVFIVSA-N 1 3 368.500 3.068 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127699 499152150 /nfs/dbraw/zinc/15/21/50/499152150.db2.gz VCLPBKVCUMXWRD-RMVXJAJNSA-N 1 3 364.574 3.187 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127699 499152151 /nfs/dbraw/zinc/15/21/51/499152151.db2.gz VCLPBKVCUMXWRD-RMVXJAJNSA-N 1 3 364.574 3.187 20 0 FGADHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](CN3CCCCC3)C2)CC1 ZINC000372801726 499177403 /nfs/dbraw/zinc/17/74/03/499177403.db2.gz LNPBQPCRUNAXQH-HXUWFJFHSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](CN3CCCCC3)C2)CC1 ZINC000372801726 499177405 /nfs/dbraw/zinc/17/74/05/499177405.db2.gz LNPBQPCRUNAXQH-HXUWFJFHSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801726 499177406 /nfs/dbraw/zinc/17/74/06/499177406.db2.gz LNPBQPCRUNAXQH-HXUWFJFHSA-N 1 3 363.590 3.469 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@H]3CCN(C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334948 499183490 /nfs/dbraw/zinc/18/34/90/499183490.db2.gz SLFWGUHTFSCHCI-SJLPKXTDSA-N 1 3 355.511 3.190 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CCN(C2CCOCC2)CC1 ZINC000367432926 499198432 /nfs/dbraw/zinc/19/84/32/499198432.db2.gz RNVMNRBVXIRYGW-UHFFFAOYSA-N 1 3 358.526 3.475 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CCN(C2CCOCC2)CC1 ZINC000367432926 499198433 /nfs/dbraw/zinc/19/84/33/499198433.db2.gz RNVMNRBVXIRYGW-UHFFFAOYSA-N 1 3 358.526 3.475 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cccc(Br)c1 ZINC000370234672 499200248 /nfs/dbraw/zinc/20/02/48/499200248.db2.gz ZZFLMHOGYPNGEZ-SFHVURJKSA-N 1 3 367.331 3.479 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367610070 499217075 /nfs/dbraw/zinc/21/70/75/499217075.db2.gz ZXMGIMBIDNWAHJ-ACRUOGEOSA-N 1 3 367.493 3.172 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637383 499238401 /nfs/dbraw/zinc/23/84/01/499238401.db2.gz UWEPHPWSJCSVGW-APWZRJJASA-N 1 3 367.484 3.497 20 0 FGADHO C[C@H](C1CC1)N(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888846 499242009 /nfs/dbraw/zinc/24/20/09/499242009.db2.gz ZBPHTWXDPSIFTH-QGZVFWFLSA-N 1 3 370.541 3.019 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370676626 499243408 /nfs/dbraw/zinc/24/34/08/499243408.db2.gz MOROMUSSFUTGSW-KBAYOESNSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676626 499243409 /nfs/dbraw/zinc/24/34/09/499243409.db2.gz MOROMUSSFUTGSW-KBAYOESNSA-N 1 3 363.933 3.293 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000367999480 499253603 /nfs/dbraw/zinc/25/36/03/499253603.db2.gz UYKZVRIQIBBSKD-IPMKNSEASA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367999480 499253605 /nfs/dbraw/zinc/25/36/05/499253605.db2.gz UYKZVRIQIBBSKD-IPMKNSEASA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367999480 499253607 /nfs/dbraw/zinc/25/36/07/499253607.db2.gz UYKZVRIQIBBSKD-IPMKNSEASA-N 1 3 357.498 3.256 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000368002755 499253746 /nfs/dbraw/zinc/25/37/46/499253746.db2.gz SZSLELNWMCZYMU-SFHVURJKSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368187898 499272781 /nfs/dbraw/zinc/27/27/81/499272781.db2.gz XOFYKVVJNQRMDZ-FQEVSTJZSA-N 1 3 368.525 3.157 20 0 FGADHO CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453742 499297405 /nfs/dbraw/zinc/29/74/05/499297405.db2.gz MJTSUHQGXQXPFH-DYESRHJHSA-N 1 3 351.494 3.443 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@@]3(C)CCN(Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530691 499305113 /nfs/dbraw/zinc/30/51/13/499305113.db2.gz OVYIQQFCHPIJHG-HXUWFJFHSA-N 1 3 369.538 3.409 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371302987 499307635 /nfs/dbraw/zinc/30/76/35/499307635.db2.gz LXUAVRRDRQQFBO-LEWJYISDSA-N 1 3 359.558 3.030 20 0 FGADHO C[NH+]1CCC2(CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000371403383 499321657 /nfs/dbraw/zinc/32/16/57/499321657.db2.gz QEDSRWFZWPODPM-FQEVSTJZSA-N 1 3 370.541 3.093 20 0 FGADHO CCOc1c(OC)cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000369205095 499377210 /nfs/dbraw/zinc/37/72/10/499377210.db2.gz QURVQIQZUWGJLZ-UHFFFAOYSA-N 1 3 362.514 3.410 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000373382825 499466693 /nfs/dbraw/zinc/46/66/93/499466693.db2.gz IKRKZTVOUYHIJF-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000375237408 499497861 /nfs/dbraw/zinc/49/78/61/499497861.db2.gz NVILRNXSBOOONB-UHFFFAOYSA-N 1 3 365.949 3.068 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CNCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660707 499542523 /nfs/dbraw/zinc/54/25/23/499542523.db2.gz CTACDIMKQYTZKU-PIPMEXSNSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CNCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660707 499542524 /nfs/dbraw/zinc/54/25/24/499542524.db2.gz CTACDIMKQYTZKU-PIPMEXSNSA-N 1 3 363.505 3.043 20 0 FGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586234 499554625 /nfs/dbraw/zinc/55/46/25/499554625.db2.gz FOMNDEZJUVGAIO-VLCRHTCISA-N 1 3 351.494 3.012 20 0 FGADHO OC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCN(Cc2ccccc2)CC1 ZINC000397702948 499564603 /nfs/dbraw/zinc/56/46/03/499564603.db2.gz VXVLWFZXRPCANO-OAQYLSRUSA-N 1 3 370.924 3.424 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397996488 499565443 /nfs/dbraw/zinc/56/54/43/499565443.db2.gz SPQHGEKRXYVFNF-LSWJPFSZSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397996488 499565445 /nfs/dbraw/zinc/56/54/45/499565445.db2.gz SPQHGEKRXYVFNF-LSWJPFSZSA-N 1 3 368.521 3.235 20 0 FGADHO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000376016906 499576492 /nfs/dbraw/zinc/57/64/92/499576492.db2.gz YZBLJBATKDMVHO-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000376740519 499633337 /nfs/dbraw/zinc/63/33/37/499633337.db2.gz VXNOMSBJHAQUJG-UHFFFAOYSA-N 1 3 362.537 3.118 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982969 499651647 /nfs/dbraw/zinc/65/16/47/499651647.db2.gz PASYKSUCXXBHIY-XLIONFOSSA-N 1 3 357.546 3.078 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000377320072 499679628 /nfs/dbraw/zinc/67/96/28/499679628.db2.gz GSEONSPDRFIWBY-BVSLBCMMSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000377320072 499679630 /nfs/dbraw/zinc/67/96/30/499679630.db2.gz GSEONSPDRFIWBY-BVSLBCMMSA-N 1 3 363.505 3.123 20 0 FGADHO CN(Cc1ccc(CSC(F)F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619930 499711454 /nfs/dbraw/zinc/71/14/54/499711454.db2.gz DGYXFQKNYPQNLT-HNNXBMFYSA-N 1 3 373.513 3.336 20 0 FGADHO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410107 499736348 /nfs/dbraw/zinc/73/63/48/499736348.db2.gz CIMHSECIHBRJES-SFTDATJTSA-N 1 3 355.526 3.163 20 0 FGADHO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410107 499736350 /nfs/dbraw/zinc/73/63/50/499736350.db2.gz CIMHSECIHBRJES-SFTDATJTSA-N 1 3 355.526 3.163 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377805786 499736856 /nfs/dbraw/zinc/73/68/56/499736856.db2.gz XWIQPELNMHJUOG-IEZWGBDMSA-N 1 3 367.493 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377805786 499736857 /nfs/dbraw/zinc/73/68/57/499736857.db2.gz XWIQPELNMHJUOG-IEZWGBDMSA-N 1 3 367.493 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377805787 499736940 /nfs/dbraw/zinc/73/69/40/499736940.db2.gz XWIQPELNMHJUOG-KVSKMBFKSA-N 1 3 367.493 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377805787 499736942 /nfs/dbraw/zinc/73/69/42/499736942.db2.gz XWIQPELNMHJUOG-KVSKMBFKSA-N 1 3 367.493 3.051 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414200251 499768216 /nfs/dbraw/zinc/76/82/16/499768216.db2.gz RPCZUDAKDSODAM-WIYYLYMNSA-N 1 3 357.542 3.011 20 0 FGADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204527 499768439 /nfs/dbraw/zinc/76/84/39/499768439.db2.gz WKKGKCVVWHOANI-OAQYLSRUSA-N 1 3 371.569 3.067 20 0 FGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414294221 499775083 /nfs/dbraw/zinc/77/50/83/499775083.db2.gz BSVXYHMQDGVMPF-KNQAVFIVSA-N 1 3 368.521 3.379 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414337996 499778828 /nfs/dbraw/zinc/77/88/28/499778828.db2.gz XVSNIJNZELYFPD-UHFFFAOYSA-N 1 3 372.619 3.470 20 0 FGADHO O=C([C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743575 499785487 /nfs/dbraw/zinc/78/54/87/499785487.db2.gz SJMYMCPFZJZDCV-OAQYLSRUSA-N 1 3 355.526 3.117 20 0 FGADHO O=C([C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1)N1CCCC1 ZINC000411743575 499785488 /nfs/dbraw/zinc/78/54/88/499785488.db2.gz SJMYMCPFZJZDCV-OAQYLSRUSA-N 1 3 355.526 3.117 20 0 FGADHO O=C([C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1)N1CCCC1 ZINC000411743575 499785490 /nfs/dbraw/zinc/78/54/90/499785490.db2.gz SJMYMCPFZJZDCV-OAQYLSRUSA-N 1 3 355.526 3.117 20 0 FGADHO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785388 499790348 /nfs/dbraw/zinc/79/03/48/499790348.db2.gz JRVBQLZJLVXRLG-VSKRKVRLSA-N 1 3 358.526 3.034 20 0 FGADHO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785388 499790350 /nfs/dbraw/zinc/79/03/50/499790350.db2.gz JRVBQLZJLVXRLG-VSKRKVRLSA-N 1 3 358.526 3.034 20 0 FGADHO OC1(CNCc2ccnn2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414523412 499803063 /nfs/dbraw/zinc/80/30/63/499803063.db2.gz IBTGTGAKAVIWBN-UHFFFAOYSA-N 1 3 368.525 3.115 20 0 FGADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802797 499832960 /nfs/dbraw/zinc/83/29/60/499832960.db2.gz NEJLECKWFUZITO-MOPGFXCFSA-N 1 3 355.482 3.276 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000414803725 499832979 /nfs/dbraw/zinc/83/29/79/499832979.db2.gz NXANANCWLUSOMM-HIFRSBDPSA-N 1 3 369.303 3.218 20 0 FGADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801737 499833006 /nfs/dbraw/zinc/83/30/06/499833006.db2.gz MCDGLJXKJHCPNH-MOPGFXCFSA-N 1 3 355.482 3.276 20 0 FGADHO CCOc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414809366 499833532 /nfs/dbraw/zinc/83/35/32/499833532.db2.gz UBEMXIHTUSZTHF-DZGCQCFKSA-N 1 3 371.319 3.464 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899237 499843112 /nfs/dbraw/zinc/84/31/12/499843112.db2.gz CITWHVWEAQRITF-SUMWQHHRSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899237 499843113 /nfs/dbraw/zinc/84/31/13/499843113.db2.gz CITWHVWEAQRITF-SUMWQHHRSA-N 1 3 357.420 3.402 20 0 FGADHO CC1(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414913369 499844398 /nfs/dbraw/zinc/84/43/98/499844398.db2.gz WOZQTBBATKNUQY-UHFFFAOYSA-N 1 3 354.285 3.053 20 0 FGADHO C[C@H](CCCC[NH3+])NCc1c(F)ccc(I)c1F ZINC000415017480 499855368 /nfs/dbraw/zinc/85/53/68/499855368.db2.gz RZCBHPDICUJZGX-SECBINFHSA-N 1 3 368.209 3.177 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+]CCCNC2CC2)CC1 ZINC000415065708 499860330 /nfs/dbraw/zinc/86/03/30/499860330.db2.gz HLCDPTJSTPUNPS-UHFFFAOYSA-N 1 3 366.347 3.145 20 0 FGADHO FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CCCNCC3)CC2)c1 ZINC000415096964 499862999 /nfs/dbraw/zinc/86/29/99/499862999.db2.gz CHCVIESOABPQAI-QGZVFWFLSA-N 1 3 355.448 3.402 20 0 FGADHO CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415901157 499926170 /nfs/dbraw/zinc/92/61/70/499926170.db2.gz UNHDJNAYWOWNQQ-NRFANRHFSA-N 1 3 364.493 3.071 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000415937034 499930683 /nfs/dbraw/zinc/93/06/83/499930683.db2.gz XBGYHHNPKHQXSM-OAQYLSRUSA-N 1 3 366.509 3.438 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415963460 499934357 /nfs/dbraw/zinc/93/43/57/499934357.db2.gz VPQRBQZMSNKJMP-HNNXBMFYSA-N 1 3 362.493 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415963460 499934359 /nfs/dbraw/zinc/93/43/59/499934359.db2.gz VPQRBQZMSNKJMP-HNNXBMFYSA-N 1 3 362.493 3.105 20 0 FGADHO CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415964040 499934368 /nfs/dbraw/zinc/93/43/68/499934368.db2.gz VSUULWZWOFCIBN-HXUWFJFHSA-N 1 3 352.482 3.274 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979607 499936909 /nfs/dbraw/zinc/93/69/09/499936909.db2.gz DTCFKCOEYYGFDT-UZLBHIALSA-N 1 3 352.482 3.048 20 0 FGADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996948 499939015 /nfs/dbraw/zinc/93/90/15/499939015.db2.gz OLJZXAMSHJMILF-SFHVURJKSA-N 1 3 364.493 3.276 20 0 FGADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996948 499939016 /nfs/dbraw/zinc/93/90/16/499939016.db2.gz OLJZXAMSHJMILF-SFHVURJKSA-N 1 3 364.493 3.276 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241034 499991680 /nfs/dbraw/zinc/99/16/80/499991680.db2.gz KRNRBDOSWXTYCP-SFTDATJTSA-N 1 3 369.509 3.107 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000417173604 499995664 /nfs/dbraw/zinc/99/56/64/499995664.db2.gz HMMIUCJVZONWRM-IBGZPJMESA-N 1 3 360.546 3.372 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079781 500000049 /nfs/dbraw/zinc/00/00/49/500000049.db2.gz BFMXWCPXZXJNTP-SDEKRAFDSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(CC(F)F)C2)CC1 ZINC000417381093 500054319 /nfs/dbraw/zinc/05/43/19/500054319.db2.gz ICBKEICIODECRG-APWZRJJASA-N 1 3 351.485 3.011 20 0 FGADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417385302 500056429 /nfs/dbraw/zinc/05/64/29/500056429.db2.gz LYROTRDAGPGRGY-IYWMVGAKSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385302 500056431 /nfs/dbraw/zinc/05/64/31/500056431.db2.gz LYROTRDAGPGRGY-IYWMVGAKSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385302 500056433 /nfs/dbraw/zinc/05/64/33/500056433.db2.gz LYROTRDAGPGRGY-IYWMVGAKSA-N 1 3 363.496 3.216 20 0 FGADHO CS[C@H]1CC[C@@H]1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350982 500082649 /nfs/dbraw/zinc/08/26/49/500082649.db2.gz LVFKMFRZKMZMIW-PMACEKPBSA-N 1 3 364.555 3.160 20 0 FGADHO CS[C@H]1CC[C@@H]1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350982 500082652 /nfs/dbraw/zinc/08/26/52/500082652.db2.gz LVFKMFRZKMZMIW-PMACEKPBSA-N 1 3 364.555 3.160 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000416840303 500135600 /nfs/dbraw/zinc/13/56/00/500135600.db2.gz LATJGJBAYAIWFW-YJBOKZPZSA-N 1 3 372.538 3.404 20 0 FGADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000429762968 500138890 /nfs/dbraw/zinc/13/88/90/500138890.db2.gz HEYKBVQCHAVYIY-YFVAEKQCSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCN(C)Cc2ccccc2)cc1 ZINC000416870815 500143945 /nfs/dbraw/zinc/14/39/45/500143945.db2.gz IWNFFAYZHNKWTR-QGZVFWFLSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417696432 500150851 /nfs/dbraw/zinc/15/08/51/500150851.db2.gz VJSHWVAEEUWQJQ-QGZVFWFLSA-N 1 3 358.530 3.173 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417699334 500151547 /nfs/dbraw/zinc/15/15/47/500151547.db2.gz FOUVQHRXUICTQT-FQEVSTJZSA-N 1 3 360.546 3.204 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccsc1 ZINC000417006548 500182373 /nfs/dbraw/zinc/18/23/73/500182373.db2.gz JSTUHQWMTRJDOX-USXIJHARSA-N 1 3 352.548 3.042 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012140 500184033 /nfs/dbraw/zinc/18/40/33/500184033.db2.gz VWFIMAWVMINTGK-IAGOWNOFSA-N 1 3 354.564 3.146 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872088 500188133 /nfs/dbraw/zinc/18/81/33/500188133.db2.gz IIEAVLCFRRRVPY-LAUBAEHRSA-N 1 3 368.525 3.117 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872088 500188137 /nfs/dbraw/zinc/18/81/37/500188137.db2.gz IIEAVLCFRRRVPY-LAUBAEHRSA-N 1 3 368.525 3.117 20 0 FGADHO COc1ccccc1-c1ncc(CN2CCC(CC[NH+](C)C)CC2)cn1 ZINC000430245350 500214569 /nfs/dbraw/zinc/21/45/69/500214569.db2.gz BEBJSGAFTWEEHU-UHFFFAOYSA-N 1 3 354.498 3.316 20 0 FGADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000418150119 500237493 /nfs/dbraw/zinc/23/74/93/500237493.db2.gz CDXKXLLXAUJZOS-FXAWDEMLSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164486 500240455 /nfs/dbraw/zinc/24/04/55/500240455.db2.gz WYVVDSXGJOPBNS-HOJAQTOUSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166074 500240496 /nfs/dbraw/zinc/24/04/96/500240496.db2.gz YWFVYJCAIZVTTM-MJGOQNOKSA-N 1 3 360.546 3.104 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N(C)C ZINC000418183994 500244496 /nfs/dbraw/zinc/24/44/96/500244496.db2.gz PFKVPKZJADMWJL-QFUCXCTJSA-N 1 3 372.557 3.017 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418429678 500275576 /nfs/dbraw/zinc/27/55/76/500275576.db2.gz SKCHWUYXZIAPKZ-NRFANRHFSA-N 1 3 372.557 3.202 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486402 500282496 /nfs/dbraw/zinc/28/24/96/500282496.db2.gz JJUBWVKXYYCWEQ-HBGVWJBISA-N 1 3 368.525 3.211 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486402 500282497 /nfs/dbraw/zinc/28/24/97/500282497.db2.gz JJUBWVKXYYCWEQ-HBGVWJBISA-N 1 3 368.525 3.211 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCN1 ZINC000422710570 500287833 /nfs/dbraw/zinc/28/78/33/500287833.db2.gz LLXHNFONICJZLE-KMFMINBZSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418530077 500287837 /nfs/dbraw/zinc/28/78/37/500287837.db2.gz VHLHCNUNOPEAGK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCN1 ZINC000422710575 500288551 /nfs/dbraw/zinc/28/85/51/500288551.db2.gz LLXHNFONICJZLE-YSVLISHTSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714540 500288796 /nfs/dbraw/zinc/28/87/96/500288796.db2.gz LAFLKYSAWTVPAZ-HCLVMJGWSA-N 1 3 363.505 3.283 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726476 500290517 /nfs/dbraw/zinc/29/05/17/500290517.db2.gz DZBZZOXLJOHJFO-GRDNDAEWSA-N 1 3 357.420 3.271 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726476 500290519 /nfs/dbraw/zinc/29/05/19/500290519.db2.gz DZBZZOXLJOHJFO-GRDNDAEWSA-N 1 3 357.420 3.271 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590906 500294538 /nfs/dbraw/zinc/29/45/38/500294538.db2.gz UGLYKWSCXFRQRQ-PKOBYXMFSA-N 1 3 370.541 3.086 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590906 500294541 /nfs/dbraw/zinc/29/45/41/500294541.db2.gz UGLYKWSCXFRQRQ-PKOBYXMFSA-N 1 3 370.541 3.086 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772546 500295627 /nfs/dbraw/zinc/29/56/27/500295627.db2.gz YWVGWFRJIZTOLH-SQGPQFPESA-N 1 3 357.523 3.196 20 0 FGADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791002 500298334 /nfs/dbraw/zinc/29/83/34/500298334.db2.gz CVJNLALDTGQCCB-OXJNMPFZSA-N 1 3 360.523 3.287 20 0 FGADHO CC1(C(=O)NC[C@@H](N)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000422803845 500300179 /nfs/dbraw/zinc/30/01/79/500300179.db2.gz JSIXZMPQTPSLIW-HXUWFJFHSA-N 1 3 351.494 3.105 20 0 FGADHO Fc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818758 500301929 /nfs/dbraw/zinc/30/19/29/500301929.db2.gz LEOCPZCPXWKLKW-PXNSSMCTSA-N 1 3 360.404 3.189 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000422824293 500302743 /nfs/dbraw/zinc/30/27/43/500302743.db2.gz NJSCARAJEBXBJG-HIFRSBDPSA-N 1 3 353.894 3.106 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422844404 500304614 /nfs/dbraw/zinc/30/46/14/500304614.db2.gz LRNRAIHHESELQD-WOJBJXKFSA-N 1 3 366.553 3.224 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccccc1 ZINC000418678280 500306713 /nfs/dbraw/zinc/30/67/13/500306713.db2.gz SLGGANNHISTCRI-UXHICEINSA-N 1 3 358.530 3.127 20 0 FGADHO CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CCN(Cc2ccccc2)CC1 ZINC000418680302 500307015 /nfs/dbraw/zinc/30/70/15/500307015.db2.gz FUACUPDIJOZWHG-WGSAOQKQSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1CN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932326 500309128 /nfs/dbraw/zinc/30/91/28/500309128.db2.gz DZMUFHBPDSURGG-OXFYSEKESA-N 1 3 357.523 3.013 20 0 FGADHO COc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890083 500311529 /nfs/dbraw/zinc/31/15/29/500311529.db2.gz RCDQKLUTSLKTEO-PWRODBHTSA-N 1 3 358.526 3.254 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418715874 500311928 /nfs/dbraw/zinc/31/19/28/500311928.db2.gz BPOYHTCFPUKGRB-HBMCJLEFSA-N 1 3 372.557 3.058 20 0 FGADHO COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893393 500312516 /nfs/dbraw/zinc/31/25/16/500312516.db2.gz QIAXZTGQJWUZQG-HUUCEWRRSA-N 1 3 373.497 3.294 20 0 FGADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000430962960 500313576 /nfs/dbraw/zinc/31/35/76/500313576.db2.gz RIHRFCWRKMGSMG-GOSISDBHSA-N 1 3 365.521 3.294 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920526 500316784 /nfs/dbraw/zinc/31/67/84/500316784.db2.gz MWCKRSTYWMPKRA-KNCOVGOOSA-N 1 3 360.420 3.205 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929165 500318162 /nfs/dbraw/zinc/31/81/62/500318162.db2.gz OMSBSMXEWLOFOF-NXWXRZEISA-N 1 3 352.906 3.244 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938176 500320054 /nfs/dbraw/zinc/32/00/54/500320054.db2.gz GTHQEOATAJHCBP-CZUORRHYSA-N 1 3 366.889 3.075 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004413 500321118 /nfs/dbraw/zinc/32/11/18/500321118.db2.gz QZUYTNAIVUSWOM-RTWAWAEBSA-N 1 3 372.557 3.060 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418788879 500323598 /nfs/dbraw/zinc/32/35/98/500323598.db2.gz LMSPVGSJNMROJC-NJYVYQBISA-N 1 3 372.557 3.200 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)N1Cc2ccccc2C1 ZINC000422956778 500324031 /nfs/dbraw/zinc/32/40/31/500324031.db2.gz LXMHHQSWXBJAOD-QHAWAJNXSA-N 1 3 355.526 3.209 20 0 FGADHO c1coc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964436 500324980 /nfs/dbraw/zinc/32/49/80/500324980.db2.gz LOSCHQDZEODHSS-DXIQSLLYSA-N 1 3 367.493 3.262 20 0 FGADHO [NH3+][C@@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977589 500326191 /nfs/dbraw/zinc/32/61/91/500326191.db2.gz FXKNAJNKKRRKOM-YADHBBJMSA-N 1 3 351.494 3.448 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)cc2OCC)CC[NH2+]CC1 ZINC000423007636 500330363 /nfs/dbraw/zinc/33/03/63/500330363.db2.gz YCGMOPFRFMGEFR-CQSZACIVSA-N 1 3 368.905 3.150 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020892 500331650 /nfs/dbraw/zinc/33/16/50/500331650.db2.gz DBQBZETUPLDXNT-UVDFWXMISA-N 1 3 353.913 3.450 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020892 500331653 /nfs/dbraw/zinc/33/16/53/500331653.db2.gz DBQBZETUPLDXNT-UVDFWXMISA-N 1 3 353.913 3.450 20 0 FGADHO Cn1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064110 500337478 /nfs/dbraw/zinc/33/74/78/500337478.db2.gz QLASPXQVAKGYOQ-IPMKNSEASA-N 1 3 361.917 3.121 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980427 500341059 /nfs/dbraw/zinc/34/10/59/500341059.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980427 500341062 /nfs/dbraw/zinc/34/10/62/500341062.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 1 3 355.526 3.030 20 0 FGADHO [NH3+]CC1CCC(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000423097954 500341794 /nfs/dbraw/zinc/34/17/94/500341794.db2.gz RPQMDXQSMDULLW-MBRGGSNBSA-N 1 3 350.812 3.499 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108212 500343376 /nfs/dbraw/zinc/34/33/76/500343376.db2.gz FSIWKNDEEGDSQU-HMXCVIKNSA-N 1 3 357.542 3.121 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134437 500347080 /nfs/dbraw/zinc/34/70/80/500347080.db2.gz RWMUMSADFGOJFV-JJRVBVJISA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccccc2Br)CCC1 ZINC000423134437 500347081 /nfs/dbraw/zinc/34/70/81/500347081.db2.gz RWMUMSADFGOJFV-JJRVBVJISA-N 1 3 367.331 3.213 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154052 500349301 /nfs/dbraw/zinc/34/93/01/500349301.db2.gz IOVKQKSMGULPKS-RISCZKNCSA-N 1 3 370.415 3.002 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173871 500351354 /nfs/dbraw/zinc/35/13/54/500351354.db2.gz AKGBOERMPIMKHV-YJBOKZPZSA-N 1 3 366.347 3.131 20 0 FGADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423179508 500351747 /nfs/dbraw/zinc/35/17/47/500351747.db2.gz MIGANMLTPGRHLW-OAHLLOKOSA-N 1 3 363.452 3.387 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182899 500352678 /nfs/dbraw/zinc/35/26/78/500352678.db2.gz LYRYSAUJCVATPJ-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423184707 500352797 /nfs/dbraw/zinc/35/27/97/500352797.db2.gz IMLIEJPEAAINNM-QGZVFWFLSA-N 1 3 369.513 3.442 20 0 FGADHO CS(=O)(=O)c1cccc([C@@H](NCCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000423319963 500364042 /nfs/dbraw/zinc/36/40/42/500364042.db2.gz FUOKNUDVTOHAKO-SFHVURJKSA-N 1 3 366.914 3.161 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311419 500380176 /nfs/dbraw/zinc/38/01/76/500380176.db2.gz AVZCEMYZAMYJKX-MSOLQXFVSA-N 1 3 363.571 3.417 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546045 506192574 /nfs/dbraw/zinc/19/25/74/506192574.db2.gz VILJNXOFARXORG-QUCCMNQESA-N 1 3 368.456 3.038 20 0 FGADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423742597 500398238 /nfs/dbraw/zinc/39/82/38/500398238.db2.gz JCEYSQQUKRKNPB-RTWAWAEBSA-N 1 3 357.542 3.061 20 0 FGADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300653 500436696 /nfs/dbraw/zinc/43/66/96/500436696.db2.gz VBWHJEOBZBMCJX-XLIONFOSSA-N 1 3 357.523 3.157 20 0 FGADHO NC[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300653 500436699 /nfs/dbraw/zinc/43/66/99/500436699.db2.gz VBWHJEOBZBMCJX-XLIONFOSSA-N 1 3 357.523 3.157 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000420317698 500440689 /nfs/dbraw/zinc/44/06/89/500440689.db2.gz NDFZTPZIBLIACC-LJQANCHMSA-N 1 3 353.510 3.338 20 0 FGADHO c1ccc(COc2cncc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320255 500440847 /nfs/dbraw/zinc/44/08/47/500440847.db2.gz BCKQOAJZEKOTFM-LEWJYISDSA-N 1 3 351.494 3.482 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321482 500441118 /nfs/dbraw/zinc/44/11/18/500441118.db2.gz VHYXTAZJWRPBHL-MRXNPFEDSA-N 1 3 356.466 3.431 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000420365033 500448700 /nfs/dbraw/zinc/44/87/00/500448700.db2.gz DLIRVQJHIFQDJS-HJOGWXRNSA-N 1 3 360.501 3.491 20 0 FGADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420372887 500450140 /nfs/dbraw/zinc/45/01/40/500450140.db2.gz YKIZMJRFXIQNBQ-CQSZACIVSA-N 1 3 361.711 3.459 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374647 500450221 /nfs/dbraw/zinc/45/02/21/500450221.db2.gz HSVQUFXHRPFYDE-MSOLQXFVSA-N 1 3 367.331 3.476 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388112 500453657 /nfs/dbraw/zinc/45/36/57/500453657.db2.gz WQJZCZQONIMRPT-HNNXBMFYSA-N 1 3 365.934 3.210 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388112 500453661 /nfs/dbraw/zinc/45/36/61/500453661.db2.gz WQJZCZQONIMRPT-HNNXBMFYSA-N 1 3 365.934 3.210 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408238 500457047 /nfs/dbraw/zinc/45/70/47/500457047.db2.gz VWUJFIRJYDZWIE-SUMWQHHRSA-N 1 3 353.869 3.272 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604195 506197057 /nfs/dbraw/zinc/19/70/57/506197057.db2.gz NTSUPCFDFQXMLJ-OAQYLSRUSA-N 1 3 355.526 3.134 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604195 506197060 /nfs/dbraw/zinc/19/70/60/506197060.db2.gz NTSUPCFDFQXMLJ-OAQYLSRUSA-N 1 3 355.526 3.134 20 0 FGADHO C[C@@H]1CC2(CN1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285991 500481972 /nfs/dbraw/zinc/48/19/72/500481972.db2.gz GPHOZNHVLJOXDE-MRXNPFEDSA-N 1 3 368.500 3.464 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC000420782088 500500127 /nfs/dbraw/zinc/50/01/27/500500127.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCCN3C)cc2)C1 ZINC000420782088 500500131 /nfs/dbraw/zinc/50/01/31/500500131.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000428383257 500503233 /nfs/dbraw/zinc/50/32/33/500503233.db2.gz UWNQAZUHBNTGSN-NRFANRHFSA-N 1 3 357.542 3.220 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000428383257 500503237 /nfs/dbraw/zinc/50/32/37/500503237.db2.gz UWNQAZUHBNTGSN-NRFANRHFSA-N 1 3 357.542 3.220 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430912 500503975 /nfs/dbraw/zinc/50/39/75/500503975.db2.gz DVPAFHYBGNTXHB-LAUBAEHRSA-N 1 3 366.509 3.486 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424433130 500504736 /nfs/dbraw/zinc/50/47/36/500504736.db2.gz IDPBTXSDCMNAES-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893464 500524094 /nfs/dbraw/zinc/52/40/94/500524094.db2.gz FBYZMWVRNLZWAP-PELRDEGISA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CCN(C)CC1 ZINC000576631492 506202756 /nfs/dbraw/zinc/20/27/56/506202756.db2.gz OFSWESOYJSSXRJ-IEBWSBKVSA-N 1 3 363.505 3.395 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](CC2(C)CCC2)CC1)Cc1ccccc1 ZINC000432819735 500567393 /nfs/dbraw/zinc/56/73/93/500567393.db2.gz HCWMTJACSCCCRP-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000442244138 500575354 /nfs/dbraw/zinc/57/53/54/500575354.db2.gz SKQWENJRHRPFQO-XVAXZDLZSA-N 1 3 372.557 3.023 20 0 FGADHO OCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC2(CCC2)C1 ZINC000433057152 500615372 /nfs/dbraw/zinc/61/53/72/500615372.db2.gz GEBXHJNSBSQFAS-NJDAHSKKSA-N 1 3 354.538 3.429 20 0 FGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000447560303 500625238 /nfs/dbraw/zinc/62/52/38/500625238.db2.gz WHZPWOACUYQLSX-CQSZACIVSA-N 1 3 359.905 3.446 20 0 FGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783608 500625532 /nfs/dbraw/zinc/62/55/32/500625532.db2.gz QFOSKTVCFZUPQG-QINHECLXSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783608 500625534 /nfs/dbraw/zinc/62/55/34/500625534.db2.gz QFOSKTVCFZUPQG-QINHECLXSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783608 500625536 /nfs/dbraw/zinc/62/55/36/500625536.db2.gz QFOSKTVCFZUPQG-QINHECLXSA-N 1 3 357.523 3.013 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920385 500647766 /nfs/dbraw/zinc/64/77/66/500647766.db2.gz LFHGFDDGQUJHFY-AWEZNQCLSA-N 1 3 363.303 3.196 20 0 FGADHO CN(C(=O)CN1CCC[C@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064487 500672197 /nfs/dbraw/zinc/67/21/97/500672197.db2.gz YIOFJUNTZBKWHS-LJQANCHMSA-N 1 3 365.521 3.295 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447982215 500701058 /nfs/dbraw/zinc/70/10/58/500701058.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447982215 500701061 /nfs/dbraw/zinc/70/10/61/500701061.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210733 /nfs/dbraw/zinc/21/07/33/506210733.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210735 /nfs/dbraw/zinc/21/07/35/506210735.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448247281 500738323 /nfs/dbraw/zinc/73/83/23/500738323.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 1 3 366.594 3.260 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448247281 500738326 /nfs/dbraw/zinc/73/83/26/500738326.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 1 3 366.594 3.260 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571824 500802817 /nfs/dbraw/zinc/80/28/17/500802817.db2.gz BFKPROQUCDEGNR-NHCUHLMSSA-N 1 3 355.526 3.347 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438571824 500802820 /nfs/dbraw/zinc/80/28/20/500802820.db2.gz BFKPROQUCDEGNR-NHCUHLMSSA-N 1 3 355.526 3.347 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189673 500809019 /nfs/dbraw/zinc/80/90/19/500809019.db2.gz OFSMSPGCJFIHLZ-AEFFLSMTSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189673 500809021 /nfs/dbraw/zinc/80/90/21/500809021.db2.gz OFSMSPGCJFIHLZ-AEFFLSMTSA-N 1 3 363.571 3.043 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829992 500824685 /nfs/dbraw/zinc/82/46/85/500824685.db2.gz SWJBPNSIPRXERV-UGGKCQTMSA-N 1 3 360.542 3.053 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829992 500824687 /nfs/dbraw/zinc/82/46/87/500824687.db2.gz SWJBPNSIPRXERV-UGGKCQTMSA-N 1 3 360.542 3.053 20 0 FGADHO C[C@H](CN1CCC(CCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449024896 500902129 /nfs/dbraw/zinc/90/21/29/500902129.db2.gz ACOBRTJXWQDGKI-QGZVFWFLSA-N 1 3 366.571 3.247 20 0 FGADHO COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000449033946 500906251 /nfs/dbraw/zinc/90/62/51/500906251.db2.gz BIVQGDZNFKPJTG-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000449033946 500906253 /nfs/dbraw/zinc/90/62/53/500906253.db2.gz BIVQGDZNFKPJTG-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000444845290 500909830 /nfs/dbraw/zinc/90/98/30/500909830.db2.gz GDRJXIOLQWHYCB-GOSISDBHSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000444845290 500909834 /nfs/dbraw/zinc/90/98/34/500909834.db2.gz GDRJXIOLQWHYCB-GOSISDBHSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H](CNCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063302 500915056 /nfs/dbraw/zinc/91/50/56/500915056.db2.gz OVCHPXCWHAKIJN-IRXDYDNUSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](CNCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063302 500915060 /nfs/dbraw/zinc/91/50/60/500915060.db2.gz OVCHPXCWHAKIJN-IRXDYDNUSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](C[NH2+]CCCN1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063302 500915062 /nfs/dbraw/zinc/91/50/62/500915062.db2.gz OVCHPXCWHAKIJN-IRXDYDNUSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cc2ccccc2)CC1 ZINC000449125346 500930731 /nfs/dbraw/zinc/93/07/31/500930731.db2.gz JCDAJGFBZGILMM-CVDCTZTESA-N 1 3 352.522 3.275 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449132969 500931842 /nfs/dbraw/zinc/93/18/42/500931842.db2.gz WOVYHXVDZHKPJX-SFHVURJKSA-N 1 3 355.526 3.212 20 0 FGADHO COc1cccc2c(CNCc3ccnc(OCC[NH+](C)C)c3)cccc12 ZINC000449220845 500951337 /nfs/dbraw/zinc/95/13/37/500951337.db2.gz IRFYGBVRYAZZFW-UHFFFAOYSA-N 1 3 365.477 3.474 20 0 FGADHO C[C@H]([NH3+])C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435373016 500961608 /nfs/dbraw/zinc/96/16/08/500961608.db2.gz CSFRNWVYDXNBMX-KRWDZBQOSA-N 1 3 361.493 3.494 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379801 500963437 /nfs/dbraw/zinc/96/34/37/500963437.db2.gz NNTYZXGIDJXNMW-IOMROCGXSA-N 1 3 365.477 3.117 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387662 500965744 /nfs/dbraw/zinc/96/57/44/500965744.db2.gz AYEUMGCDEYNJDG-DZFGPLHGSA-N 1 3 359.477 3.103 20 0 FGADHO CCn1cccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)c1=O ZINC000449291864 500968821 /nfs/dbraw/zinc/96/88/21/500968821.db2.gz ODAYUMNREMACGD-GOSISDBHSA-N 1 3 353.510 3.053 20 0 FGADHO C[C@H](CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325466 500977795 /nfs/dbraw/zinc/97/77/95/500977795.db2.gz MUVRSJVLOQJWAP-HZPDHXFCSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325466 500977798 /nfs/dbraw/zinc/97/77/98/500977798.db2.gz MUVRSJVLOQJWAP-HZPDHXFCSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325466 500977801 /nfs/dbraw/zinc/97/78/01/500977801.db2.gz MUVRSJVLOQJWAP-HZPDHXFCSA-N 1 3 351.485 3.169 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197898 500986374 /nfs/dbraw/zinc/98/63/74/500986374.db2.gz WVKGLCVVNPEBAF-SOAISFHBSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197898 500986378 /nfs/dbraw/zinc/98/63/78/500986378.db2.gz WVKGLCVVNPEBAF-SOAISFHBSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCN2CCCO)CC1 ZINC000449387944 500991569 /nfs/dbraw/zinc/99/15/69/500991569.db2.gz NPLBMMGLBSBECR-LJQANCHMSA-N 1 3 353.595 3.102 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CCN(C)CC1 ZINC000449557567 501032992 /nfs/dbraw/zinc/03/29/92/501032992.db2.gz UZNZMRBFURXMHP-WOIUINJBSA-N 1 3 371.569 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CCN(C)CC1 ZINC000449557567 501032996 /nfs/dbraw/zinc/03/29/96/501032996.db2.gz UZNZMRBFURXMHP-WOIUINJBSA-N 1 3 371.569 3.200 20 0 FGADHO COC(=O)CC1(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000440799893 501049514 /nfs/dbraw/zinc/04/95/14/501049514.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 1 3 356.510 3.318 20 0 FGADHO COC(=O)CC1(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000440799893 501049518 /nfs/dbraw/zinc/04/95/18/501049518.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 1 3 356.510 3.318 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282577 501101845 /nfs/dbraw/zinc/10/18/45/501101845.db2.gz HKYJQGNAFBRNOE-AZUAARDMSA-N 1 3 357.542 3.267 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282577 501101848 /nfs/dbraw/zinc/10/18/48/501101848.db2.gz HKYJQGNAFBRNOE-AZUAARDMSA-N 1 3 357.542 3.267 20 0 FGADHO c1cncc(CN2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)c1 ZINC000436288093 501102590 /nfs/dbraw/zinc/10/25/90/501102590.db2.gz UVRNHYBKBGZGIX-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cncc(CN2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000436288093 501102593 /nfs/dbraw/zinc/10/25/93/501102593.db2.gz UVRNHYBKBGZGIX-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cncc(CN2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000436288093 501102595 /nfs/dbraw/zinc/10/25/95/501102595.db2.gz UVRNHYBKBGZGIX-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CN1C1CC1 ZINC000441287929 501114562 /nfs/dbraw/zinc/11/45/62/501114562.db2.gz RYQJEZQMTFEEND-ZWKOTPCHSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441345523 501124268 /nfs/dbraw/zinc/12/42/68/501124268.db2.gz HDDTWTJKSAEJRU-UHFFFAOYSA-N 1 3 369.557 3.111 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000446840434 501171853 /nfs/dbraw/zinc/17/18/53/501171853.db2.gz YYRHHMWQJJAKCS-NQIIRXRSSA-N 1 3 371.529 3.128 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@H]4CCCC[C@H]4C)CC3)C2)n(C)n1 ZINC000446920535 501181604 /nfs/dbraw/zinc/18/16/04/501181604.db2.gz MNLKJOCNZGPDGR-QMMLZNLJSA-N 1 3 373.589 3.330 20 0 FGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181000 501286454 /nfs/dbraw/zinc/28/64/54/501286454.db2.gz QXOYHOZOKXDEMK-LLVKDONJSA-N 1 3 374.241 3.343 20 0 FGADHO COC[C@]1(C)CCN(Cc2cccc(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251531 /nfs/dbraw/zinc/25/15/31/501251531.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CCN(Cc2cccc(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251532 /nfs/dbraw/zinc/25/15/32/501251532.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CC[N@@H+](Cc2cccc(CN3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251533 /nfs/dbraw/zinc/25/15/33/501251533.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CC[N@H+](Cc2cccc(CN3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251534 /nfs/dbraw/zinc/25/15/34/501251534.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[NH+]1CCCC1 ZINC000457621547 501269915 /nfs/dbraw/zinc/26/99/15/501269915.db2.gz QCQUSXXRMHUBTG-PZJWPPBQSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181000 501286452 /nfs/dbraw/zinc/28/64/52/501286452.db2.gz QXOYHOZOKXDEMK-LLVKDONJSA-N 1 3 374.241 3.343 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695583 501289083 /nfs/dbraw/zinc/28/90/83/501289083.db2.gz VDMGPXCVKIVVLN-ROUUACIJSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000457695583 501289087 /nfs/dbraw/zinc/28/90/87/501289087.db2.gz VDMGPXCVKIVVLN-ROUUACIJSA-N 1 3 366.575 3.255 20 0 FGADHO CCn1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)c1=O ZINC000453208531 501291832 /nfs/dbraw/zinc/29/18/32/501291832.db2.gz BYLUZACOOSBVIP-BHDDXSALSA-N 1 3 365.521 3.401 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000457705953 501291854 /nfs/dbraw/zinc/29/18/54/501291854.db2.gz LNQGSCNFKDQEON-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCCC[C@@H]1C ZINC000457705953 501291856 /nfs/dbraw/zinc/29/18/56/501291856.db2.gz LNQGSCNFKDQEON-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482282 506247912 /nfs/dbraw/zinc/24/79/12/506247912.db2.gz YXHDESLHEXQSRM-BVYCBKJFSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482282 506247919 /nfs/dbraw/zinc/24/79/19/506247919.db2.gz YXHDESLHEXQSRM-BVYCBKJFSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458396857 501435546 /nfs/dbraw/zinc/43/55/46/501435546.db2.gz DCZLDQDXQLQRQD-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396857 501435549 /nfs/dbraw/zinc/43/55/49/501435549.db2.gz DCZLDQDXQLQRQD-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000454383619 501529660 /nfs/dbraw/zinc/52/96/60/501529660.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000454383619 501529664 /nfs/dbraw/zinc/52/96/64/501529664.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680685 501608090 /nfs/dbraw/zinc/60/80/90/501608090.db2.gz ZDSJNNLEZFRWKL-MOPGFXCFSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273305 501623172 /nfs/dbraw/zinc/62/31/72/501623172.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273305 501623174 /nfs/dbraw/zinc/62/31/74/501623174.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000459387476 501644506 /nfs/dbraw/zinc/64/45/06/501644506.db2.gz JQEDXWSTRQGBGD-UHFFFAOYSA-N 1 3 371.481 3.256 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000457492834 501709616 /nfs/dbraw/zinc/70/96/16/501709616.db2.gz PSEXQKOFIUSBPR-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000457492834 501709617 /nfs/dbraw/zinc/70/96/17/501709617.db2.gz PSEXQKOFIUSBPR-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C12CCC2 ZINC000459799073 501715017 /nfs/dbraw/zinc/71/50/17/501715017.db2.gz YHBKGIOJOIOADL-RTWAWAEBSA-N 1 3 357.542 3.264 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000460159852 501744110 /nfs/dbraw/zinc/74/41/10/501744110.db2.gz HJYWZDAKFQXBGX-UHFFFAOYSA-N 1 3 366.594 3.406 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761510 /nfs/dbraw/zinc/76/15/10/501761510.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761515 /nfs/dbraw/zinc/76/15/15/501761515.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 1 3 361.505 3.027 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736890 501787171 /nfs/dbraw/zinc/78/71/71/501787171.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736890 501787173 /nfs/dbraw/zinc/78/71/73/501787173.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373384 501807254 /nfs/dbraw/zinc/80/72/54/501807254.db2.gz DUXVVOJYNNTIDW-YADHBBJMSA-N 1 3 365.521 3.113 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489550 501835274 /nfs/dbraw/zinc/83/52/74/501835274.db2.gz JNANQVONRKTMTE-HXUWFJFHSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520466 501848053 /nfs/dbraw/zinc/84/80/53/501848053.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520466 501848059 /nfs/dbraw/zinc/84/80/59/501848059.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458776452 501869890 /nfs/dbraw/zinc/86/98/90/501869890.db2.gz NLTSJHTXULOFDN-IEBWSBKVSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000481845022 501898221 /nfs/dbraw/zinc/89/82/21/501898221.db2.gz LHDYVMSCXQTPHA-SFHVURJKSA-N 1 3 369.553 3.220 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CCN(C)CC2)CC1 ZINC000485715782 501912278 /nfs/dbraw/zinc/91/22/78/501912278.db2.gz JCXPHHDGCRVXLP-UHFFFAOYSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973651 501916903 /nfs/dbraw/zinc/91/69/03/501916903.db2.gz NUVGLEQACXCKCZ-ZVDOUQERSA-N 1 3 357.542 3.449 20 0 FGADHO CC(C)(CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406978 501970595 /nfs/dbraw/zinc/97/05/95/501970595.db2.gz GHDQMDMORHQXMX-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482130269 501983273 /nfs/dbraw/zinc/98/32/73/501983273.db2.gz UVFYRVIFWWEDSZ-VGOFRKELSA-N 1 3 368.500 3.256 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093621 502055024 /nfs/dbraw/zinc/05/50/24/502055024.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093621 502055030 /nfs/dbraw/zinc/05/50/30/502055030.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475113240 502063759 /nfs/dbraw/zinc/06/37/59/502063759.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475113240 502063764 /nfs/dbraw/zinc/06/37/64/502063764.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121752 502067311 /nfs/dbraw/zinc/06/73/11/502067311.db2.gz SELQKLAJHMHOIN-QZTJIDSGSA-N 1 3 364.578 3.346 20 0 FGADHO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475163173 502087892 /nfs/dbraw/zinc/08/78/92/502087892.db2.gz FWVDKWUCRSLSSJ-QUCCMNQESA-N 1 3 374.573 3.269 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479049553 502147288 /nfs/dbraw/zinc/14/72/88/502147288.db2.gz GWRFKBBQBYOQJH-WOJBJXKFSA-N 1 3 357.473 3.067 20 0 FGADHO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486557888 502190217 /nfs/dbraw/zinc/19/02/17/502190217.db2.gz AAUVKPMNHLEJIA-WVFSIPRWSA-N 1 3 356.535 3.424 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479221142 502195956 /nfs/dbraw/zinc/19/59/56/502195956.db2.gz IJCCWCVRRVGMDQ-BEFAXECRSA-N 1 3 357.473 3.114 20 0 FGADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227239 502198653 /nfs/dbraw/zinc/19/86/53/502198653.db2.gz SZALSALCEHLMRZ-LEWJYISDSA-N 1 3 369.484 3.039 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000472072554 502219790 /nfs/dbraw/zinc/21/97/90/502219790.db2.gz FIFVAWOVIZMDPE-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268918 /nfs/dbraw/zinc/26/89/18/502268918.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 1 3 373.585 3.235 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491158 502277162 /nfs/dbraw/zinc/27/71/62/502277162.db2.gz OMMWYERZOBPELU-SFTDATJTSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491158 502277165 /nfs/dbraw/zinc/27/71/65/502277165.db2.gz OMMWYERZOBPELU-SFTDATJTSA-N 1 3 372.557 3.195 20 0 FGADHO C(=C\c1ccncc1)\C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000486931720 502307099 /nfs/dbraw/zinc/30/70/99/502307099.db2.gz BFLUBOSWFNRRFJ-TWGQIWQCSA-N 1 3 364.537 3.282 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000465559810 502308141 /nfs/dbraw/zinc/30/81/41/502308141.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000465559810 502308147 /nfs/dbraw/zinc/30/81/47/502308147.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311844 /nfs/dbraw/zinc/31/18/44/502311844.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311851 /nfs/dbraw/zinc/31/18/51/502311851.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 1 3 372.557 3.200 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](CC)CC2)CC1 ZINC000462116547 502313329 /nfs/dbraw/zinc/31/33/29/502313329.db2.gz OOMJMNPCYGSBNA-KRWDZBQOSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CC1 ZINC000462116547 502313332 /nfs/dbraw/zinc/31/33/32/502313332.db2.gz OOMJMNPCYGSBNA-KRWDZBQOSA-N 1 3 362.537 3.103 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475902876 502327286 /nfs/dbraw/zinc/32/72/86/502327286.db2.gz XFPUBIOKFHDENK-KNQAVFIVSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465669267 502342104 /nfs/dbraw/zinc/34/21/04/502342104.db2.gz WJUSKEUDBXWUAU-CEXWTWQISA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465669267 502342108 /nfs/dbraw/zinc/34/21/08/502342108.db2.gz WJUSKEUDBXWUAU-CEXWTWQISA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000483298590 502343247 /nfs/dbraw/zinc/34/32/47/502343247.db2.gz ROMVNDOLBCSAOW-UHFFFAOYSA-N 1 3 362.562 3.249 20 0 FGADHO O=C(N[C@H]1CCCN(CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693627 502347302 /nfs/dbraw/zinc/34/73/02/502347302.db2.gz XVBVLGIVXNSFGX-QFIPXVFZSA-N 1 3 365.521 3.424 20 0 FGADHO COc1ccc([C@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686983 506308884 /nfs/dbraw/zinc/30/88/84/506308884.db2.gz JJHJCZQZQIKJPA-RBBKRZOGSA-N 1 3 356.510 3.475 20 0 FGADHO COc1ccc([C@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686983 506308892 /nfs/dbraw/zinc/30/88/92/506308892.db2.gz JJHJCZQZQIKJPA-RBBKRZOGSA-N 1 3 356.510 3.475 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000479789587 502378403 /nfs/dbraw/zinc/37/84/03/502378403.db2.gz RZBJGXLVMQVWLB-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1)N(C)C ZINC000479790069 502378611 /nfs/dbraw/zinc/37/86/11/502378611.db2.gz QRZMWPFVTFSSQM-NSHGMRRFSA-N 1 3 360.546 3.160 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000469421104 502410526 /nfs/dbraw/zinc/41/05/26/502410526.db2.gz YLSBVKHNAGXPDB-NRFANRHFSA-N 1 3 374.573 3.317 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484364 /nfs/dbraw/zinc/48/43/64/502484364.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484367 /nfs/dbraw/zinc/48/43/67/502484367.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C[C@@H]1C ZINC000483767198 502486658 /nfs/dbraw/zinc/48/66/58/502486658.db2.gz GAYRENQBBYCMKW-YSIASYRMSA-N 1 3 360.546 3.112 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C[C@@H]1C ZINC000483767198 502486664 /nfs/dbraw/zinc/48/66/64/502486664.db2.gz GAYRENQBBYCMKW-YSIASYRMSA-N 1 3 360.546 3.112 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473009788 502498407 /nfs/dbraw/zinc/49/84/07/502498407.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473009788 502498410 /nfs/dbraw/zinc/49/84/10/502498410.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 1 3 360.546 3.023 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280325 502524216 /nfs/dbraw/zinc/52/42/16/502524216.db2.gz UBHVIOWLIBQQKB-NEWSRXKRSA-N 1 3 353.576 3.077 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300247 502531042 /nfs/dbraw/zinc/53/10/42/502531042.db2.gz UPRDXYVXGXABBR-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300247 502531046 /nfs/dbraw/zinc/53/10/46/502531046.db2.gz UPRDXYVXGXABBR-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547037 /nfs/dbraw/zinc/54/70/37/502547037.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547044 /nfs/dbraw/zinc/54/70/44/502547044.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO Cc1cc2cc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857794 502570270 /nfs/dbraw/zinc/57/02/70/502570270.db2.gz XRXZFHNYKWVTPJ-FXAWDEMLSA-N 1 3 369.509 3.130 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462795973 502578209 /nfs/dbraw/zinc/57/82/09/502578209.db2.gz HNXPIWXXDMAYPN-UHFFFAOYSA-N 1 3 362.514 3.185 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365749 502633266 /nfs/dbraw/zinc/63/32/66/502633266.db2.gz HDWJJXOBELOMTM-WBVHZDCISA-N 1 3 364.534 3.271 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480895947 502700014 /nfs/dbraw/zinc/70/00/14/502700014.db2.gz AHYXYYPSNZLZNA-GOSISDBHSA-N 1 3 369.509 3.016 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455284 502719096 /nfs/dbraw/zinc/71/90/96/502719096.db2.gz COMTWOREGSVIHL-OKZBNKHCSA-N 1 3 364.534 3.128 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C ZINC000484772325 502736708 /nfs/dbraw/zinc/73/67/08/502736708.db2.gz PRUBJDWGEFJYEQ-UTKZUKDTSA-N 1 3 372.557 3.160 20 0 FGADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473883594 502737409 /nfs/dbraw/zinc/73/74/09/502737409.db2.gz ZVYVLHLFCNIPQE-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470366101 502751534 /nfs/dbraw/zinc/75/15/34/502751534.db2.gz CFMQSJAGZFYPLD-INIZCTEOSA-N 1 3 365.477 3.263 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470366101 502751538 /nfs/dbraw/zinc/75/15/38/502751538.db2.gz CFMQSJAGZFYPLD-INIZCTEOSA-N 1 3 365.477 3.263 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481137757 502763759 /nfs/dbraw/zinc/76/37/59/502763759.db2.gz HMCDLRWRCRXBDS-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775738 /nfs/dbraw/zinc/77/57/38/502775738.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 1 3 357.542 3.375 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775741 /nfs/dbraw/zinc/77/57/41/502775741.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 1 3 357.542 3.375 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc2c(c1)CNC2 ZINC000470466520 502786181 /nfs/dbraw/zinc/78/61/81/502786181.db2.gz GZXARGRFJXFMTA-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049757 502789662 /nfs/dbraw/zinc/78/96/62/502789662.db2.gz CAPNSXHJTGOWMK-QHAWAJNXSA-N 1 3 363.590 3.122 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC(F)(F)CC1 ZINC000474048977 502790363 /nfs/dbraw/zinc/79/03/63/502790363.db2.gz YZRZIIRJZSOMNF-HNNXBMFYSA-N 1 3 367.484 3.282 20 0 FGADHO CC[C@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531042 502806737 /nfs/dbraw/zinc/80/67/37/502806737.db2.gz UFCYTULZMLNSLF-LEWJYISDSA-N 1 3 359.558 3.477 20 0 FGADHO CC[C@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531042 502806741 /nfs/dbraw/zinc/80/67/41/502806741.db2.gz UFCYTULZMLNSLF-LEWJYISDSA-N 1 3 359.558 3.477 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000495728413 502860894 /nfs/dbraw/zinc/86/08/94/502860894.db2.gz NSZKAQNTJWLOPW-OALUTQOASA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000495728413 502860899 /nfs/dbraw/zinc/86/08/99/502860899.db2.gz NSZKAQNTJWLOPW-OALUTQOASA-N 1 3 363.571 3.035 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875203 /nfs/dbraw/zinc/87/52/03/502875203.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 1 3 366.594 3.308 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875205 /nfs/dbraw/zinc/87/52/05/502875205.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 1 3 366.594 3.308 20 0 FGADHO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985378 502905686 /nfs/dbraw/zinc/90/56/86/502905686.db2.gz RUJJJXWAEVAZCQ-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985378 502905687 /nfs/dbraw/zinc/90/56/87/502905687.db2.gz RUJJJXWAEVAZCQ-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023698 502914386 /nfs/dbraw/zinc/91/43/86/502914386.db2.gz UNBIUPMITFQCBF-RXVVDRJESA-N 1 3 372.557 3.267 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000501045895 502921021 /nfs/dbraw/zinc/92/10/21/502921021.db2.gz OFXPEQHMUJEIJR-PMACEKPBSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000501045895 502921022 /nfs/dbraw/zinc/92/10/22/502921022.db2.gz OFXPEQHMUJEIJR-PMACEKPBSA-N 1 3 360.546 3.161 20 0 FGADHO CN(CC(=O)Nc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049506 502922166 /nfs/dbraw/zinc/92/21/66/502922166.db2.gz JSKCLMHUMKMZGQ-UHFFFAOYSA-N 1 3 356.445 3.008 20 0 FGADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066123 502926139 /nfs/dbraw/zinc/92/61/39/502926139.db2.gz CTPIUSXMLAMSBN-AZUAARDMSA-N 1 3 372.557 3.409 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000501080392 502931359 /nfs/dbraw/zinc/93/13/59/502931359.db2.gz XNXWHXMVSUSWRC-UHFFFAOYSA-N 1 3 368.363 3.297 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000501080392 502931357 /nfs/dbraw/zinc/93/13/57/502931357.db2.gz XNXWHXMVSUSWRC-UHFFFAOYSA-N 1 3 368.363 3.297 20 0 FGADHO COc1ccccc1CCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000505555134 502935161 /nfs/dbraw/zinc/93/51/61/502935161.db2.gz IKCYOUJIOCEXRF-RTBURBONSA-N 1 3 360.542 3.449 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566211 502936265 /nfs/dbraw/zinc/93/62/65/502936265.db2.gz DHHCENVFPWTZSP-SJLPKXTDSA-N 1 3 364.534 3.082 20 0 FGADHO CC[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)N1CCc2ccccc2C1 ZINC000501327112 502985095 /nfs/dbraw/zinc/98/50/95/502985095.db2.gz BJTFNNPBKIOWFP-OAQYLSRUSA-N 1 3 374.573 3.241 20 0 FGADHO CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N1CCc2ccccc2C1 ZINC000501377855 502996899 /nfs/dbraw/zinc/99/68/99/502996899.db2.gz SHNCEIHZFONPQS-NRFANRHFSA-N 1 3 374.573 3.053 20 0 FGADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489794126 503036452 /nfs/dbraw/zinc/03/64/52/503036452.db2.gz SHIYNOGLIPLBBS-NJYVYQBISA-N 1 3 372.557 3.165 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000489904632 503060744 /nfs/dbraw/zinc/06/07/44/503060744.db2.gz FUAWEKKMNXVDHF-SFHVURJKSA-N 1 3 369.513 3.021 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000506267036 503082093 /nfs/dbraw/zinc/08/20/93/503082093.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 1 3 357.542 3.422 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000506267036 503082097 /nfs/dbraw/zinc/08/20/97/503082097.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@@H](C)O1 ZINC000510275527 503082967 /nfs/dbraw/zinc/08/29/67/503082967.db2.gz ZQGRPMULTURATI-QZTJIDSGSA-N 1 3 356.514 3.066 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921140 503109108 /nfs/dbraw/zinc/10/91/08/503109108.db2.gz VOSDBDAWXFNCHY-IAGOWNOFSA-N 1 3 364.534 3.130 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000498358038 503166840 /nfs/dbraw/zinc/16/68/40/503166840.db2.gz CRRFXYHAPAKVRO-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000498358038 503166843 /nfs/dbraw/zinc/16/68/43/503166843.db2.gz CRRFXYHAPAKVRO-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000502386369 503190854 /nfs/dbraw/zinc/19/08/54/503190854.db2.gz ONBAAHPGUSIETM-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000502386369 503190860 /nfs/dbraw/zinc/19/08/60/503190860.db2.gz ONBAAHPGUSIETM-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000506942919 503198320 /nfs/dbraw/zinc/19/83/20/503198320.db2.gz DCVCJOBNLPZMBH-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@@H]1CN(CCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491020159 503261528 /nfs/dbraw/zinc/26/15/28/503261528.db2.gz NBHRIFJIGSBZDV-DENIHFKCSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491020159 503261532 /nfs/dbraw/zinc/26/15/32/503261532.db2.gz NBHRIFJIGSBZDV-DENIHFKCSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491020159 503261535 /nfs/dbraw/zinc/26/15/35/503261535.db2.gz NBHRIFJIGSBZDV-DENIHFKCSA-N 1 3 373.585 3.321 20 0 FGADHO Cc1ccc(C)c(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000491021624 503262231 /nfs/dbraw/zinc/26/22/31/503262231.db2.gz QHSNKGZXJKKFHN-RTWAWAEBSA-N 1 3 359.558 3.030 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000507390728 503291956 /nfs/dbraw/zinc/29/19/56/503291956.db2.gz LRTPQVLKSMFAMO-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000507390728 503291960 /nfs/dbraw/zinc/29/19/60/503291960.db2.gz LRTPQVLKSMFAMO-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000507393526 503292740 /nfs/dbraw/zinc/29/27/40/503292740.db2.gz XUMWZJWITGVEQF-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000507393526 503292741 /nfs/dbraw/zinc/29/27/41/503292741.db2.gz XUMWZJWITGVEQF-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502878435 503296441 /nfs/dbraw/zinc/29/64/41/503296441.db2.gz ZYFVHESIPGPNQS-KDURUIRLSA-N 1 3 374.573 3.306 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502878435 503296446 /nfs/dbraw/zinc/29/64/46/503296446.db2.gz ZYFVHESIPGPNQS-KDURUIRLSA-N 1 3 374.573 3.306 20 0 FGADHO CC(=O)N1CC[C@H](NCc2ccc(C[NH+](C)C)cc2)c2ccccc2C1 ZINC000491340963 503298537 /nfs/dbraw/zinc/29/85/37/503298537.db2.gz BFBYQLGUXAHMAX-QFIPXVFZSA-N 1 3 351.494 3.331 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502916179 503307705 /nfs/dbraw/zinc/30/77/05/503307705.db2.gz DPIJKMFAUMMVJZ-QZTJIDSGSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515294259 503308183 /nfs/dbraw/zinc/30/81/83/503308183.db2.gz JBOSSAIGYORCNU-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000515294259 503308186 /nfs/dbraw/zinc/30/81/86/503308186.db2.gz JBOSSAIGYORCNU-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943020 503312209 /nfs/dbraw/zinc/31/22/09/503312209.db2.gz YJORUQUKKHVRPM-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNC/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929251 503417854 /nfs/dbraw/zinc/41/78/54/503417854.db2.gz ZJPSEACYZWIMKX-GNAXCBTBSA-N 1 3 358.432 3.334 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNC/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929251 503417856 /nfs/dbraw/zinc/41/78/56/503417856.db2.gz ZJPSEACYZWIMKX-GNAXCBTBSA-N 1 3 358.432 3.334 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520792 503423965 /nfs/dbraw/zinc/42/39/65/503423965.db2.gz MORFRHWDJDXOGR-NRFANRHFSA-N 1 3 367.537 3.257 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520792 503423971 /nfs/dbraw/zinc/42/39/71/503423971.db2.gz MORFRHWDJDXOGR-NRFANRHFSA-N 1 3 367.537 3.257 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C ZINC000503533345 503431834 /nfs/dbraw/zinc/43/18/34/503431834.db2.gz RNSRLNDKFFWQLC-UTKZUKDTSA-N 1 3 372.557 3.160 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000493863618 503450816 /nfs/dbraw/zinc/45/08/16/503450816.db2.gz HQPBFHQMAZDBEH-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO COCC[N@H+](C)CC[C@@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917845 503459082 /nfs/dbraw/zinc/45/90/82/503459082.db2.gz VHWITVMWAJJHDD-XRXFAXGQSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917845 503459084 /nfs/dbraw/zinc/45/90/84/503459084.db2.gz VHWITVMWAJJHDD-XRXFAXGQSA-N 1 3 358.526 3.243 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC1CC(OCc2ccccc2)C1 ZINC000493967104 503467429 /nfs/dbraw/zinc/46/74/29/503467429.db2.gz FCJSFLSSXMFJIH-UHFFFAOYSA-N 1 3 354.494 3.464 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000512389594 503534555 /nfs/dbraw/zinc/53/45/55/503534555.db2.gz OLVZMIODJHPMTQ-UHFFFAOYSA-N 1 3 367.541 3.321 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565574 503538155 /nfs/dbraw/zinc/53/81/55/503538155.db2.gz MGYUWSZIVBIADB-PZJWPPBQSA-N 1 3 374.573 3.491 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000500128184 503560459 /nfs/dbraw/zinc/56/04/59/503560459.db2.gz ZBIZJPHCBAVLRL-UHFFFAOYSA-N 1 3 362.514 3.185 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000500131613 503561312 /nfs/dbraw/zinc/56/13/12/503561312.db2.gz IRBNMDAKJWQVKN-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000494604671 503573138 /nfs/dbraw/zinc/57/31/38/503573138.db2.gz YPUWKAVCJAKJLF-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000494604671 503573140 /nfs/dbraw/zinc/57/31/40/503573140.db2.gz YPUWKAVCJAKJLF-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508851446 503577343 /nfs/dbraw/zinc/57/73/43/503577343.db2.gz HHODYFOYFUMZDW-PXNSSMCTSA-N 1 3 360.546 3.289 20 0 FGADHO O[C@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC000516762023 503582239 /nfs/dbraw/zinc/58/22/39/503582239.db2.gz RLGFZDPDTUYMKH-QFIPXVFZSA-N 1 3 359.558 3.120 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508882797 503587553 /nfs/dbraw/zinc/58/75/53/503587553.db2.gz RHLGQADKOUEIBW-WERVVEIQSA-N 1 3 372.557 3.254 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508882797 503587558 /nfs/dbraw/zinc/58/75/58/503587558.db2.gz RHLGQADKOUEIBW-WERVVEIQSA-N 1 3 372.557 3.254 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1)N(C)C ZINC000494699080 503594812 /nfs/dbraw/zinc/59/48/12/503594812.db2.gz YVYQEIFSKNCKGI-XLIONFOSSA-N 1 3 360.546 3.017 20 0 FGADHO c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512670798 503608854 /nfs/dbraw/zinc/60/88/54/503608854.db2.gz BHWDUBYMJNSLDZ-ACRUOGEOSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670798 503608855 /nfs/dbraw/zinc/60/88/55/503608855.db2.gz BHWDUBYMJNSLDZ-ACRUOGEOSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670798 503608856 /nfs/dbraw/zinc/60/88/56/503608856.db2.gz BHWDUBYMJNSLDZ-ACRUOGEOSA-N 1 3 365.525 3.046 20 0 FGADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504779927 503614498 /nfs/dbraw/zinc/61/44/98/503614498.db2.gz WJIONJRSUMEGIU-FQEVSTJZSA-N 1 3 374.573 3.099 20 0 FGADHO CN(C/C=C\c1ccncc1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000494975815 503644151 /nfs/dbraw/zinc/64/41/51/503644151.db2.gz KUFLHWKBMFDXKJ-ARJAWSKDSA-N 1 3 356.558 3.223 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000527116703 503686331 /nfs/dbraw/zinc/68/63/31/503686331.db2.gz PLLWIZWCPPGNPB-SFHVURJKSA-N 1 3 355.501 3.466 20 0 FGADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221314 503716492 /nfs/dbraw/zinc/71/64/92/503716492.db2.gz DWLBJASSHKBWKK-KMFMINBZSA-N 1 3 369.431 3.131 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000540260313 503726430 /nfs/dbraw/zinc/72/64/30/503726430.db2.gz ACIZWFSULVWQBL-QGZVFWFLSA-N 1 3 355.320 3.458 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000540260313 503726437 /nfs/dbraw/zinc/72/64/37/503726437.db2.gz ACIZWFSULVWQBL-QGZVFWFLSA-N 1 3 355.320 3.458 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+](CC)CC)CC2)s1 ZINC000517439257 503746796 /nfs/dbraw/zinc/74/67/96/503746796.db2.gz VLVWBKZACHFZEY-UHFFFAOYSA-N 1 3 365.587 3.371 20 0 FGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388948 503756551 /nfs/dbraw/zinc/75/65/51/503756551.db2.gz XQBADYLEJQQQKY-OXJNMPFZSA-N 1 3 352.482 3.469 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000517536911 503765930 /nfs/dbraw/zinc/76/59/30/503765930.db2.gz ZZQBGGSLUGOFBF-INIZCTEOSA-N 1 3 362.493 3.103 20 0 FGADHO C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000543458984 503780544 /nfs/dbraw/zinc/78/05/44/503780544.db2.gz MOXOAXSVILINGN-DLBZAZTESA-N 1 3 356.514 3.375 20 0 FGADHO C[C@H](NCCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458984 503780548 /nfs/dbraw/zinc/78/05/48/503780548.db2.gz MOXOAXSVILINGN-DLBZAZTESA-N 1 3 356.514 3.375 20 0 FGADHO C[C@H](NCCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458984 503780549 /nfs/dbraw/zinc/78/05/49/503780549.db2.gz MOXOAXSVILINGN-DLBZAZTESA-N 1 3 356.514 3.375 20 0 FGADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOCC(F)(F)F)c1ccccc1O2 ZINC000537192955 503836063 /nfs/dbraw/zinc/83/60/63/503836063.db2.gz IGIYEBLYGFVKBS-OAHLLOKOSA-N 1 3 358.404 3.143 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CCN(C)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713759 503863307 /nfs/dbraw/zinc/86/33/07/503863307.db2.gz UTBKTEZWQLGFAU-AZUAARDMSA-N 1 3 366.509 3.077 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CCN(C)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000543713759 503863310 /nfs/dbraw/zinc/86/33/10/503863310.db2.gz UTBKTEZWQLGFAU-AZUAARDMSA-N 1 3 366.509 3.077 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293535 503871688 /nfs/dbraw/zinc/87/16/88/503871688.db2.gz WAKVCMYSRBYSSS-KBPBESRZSA-N 1 3 363.889 3.324 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011103 503888285 /nfs/dbraw/zinc/88/82/85/503888285.db2.gz DOOCZCUSAHKDQU-FPOVZHCZSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011103 503888290 /nfs/dbraw/zinc/88/82/90/503888290.db2.gz DOOCZCUSAHKDQU-FPOVZHCZSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864545 503921064 /nfs/dbraw/zinc/92/10/64/503921064.db2.gz HWFOREUMGMKYIV-MJGOQNOKSA-N 1 3 367.896 3.213 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540991594 503967805 /nfs/dbraw/zinc/96/78/05/503967805.db2.gz HMXMOEKJIDKPHI-PDXHDDNESA-N 1 3 354.469 3.415 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540991594 503967808 /nfs/dbraw/zinc/96/78/08/503967808.db2.gz HMXMOEKJIDKPHI-PDXHDDNESA-N 1 3 354.469 3.415 20 0 FGADHO CN(C)CC[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046387 503985733 /nfs/dbraw/zinc/98/57/33/503985733.db2.gz VDECMTZAMUEDKW-HOTGVXAUSA-N 1 3 373.463 3.058 20 0 FGADHO CC(C)c1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000527907981 503994015 /nfs/dbraw/zinc/99/40/15/503994015.db2.gz JLRFJLSJVLCLBY-LJQANCHMSA-N 1 3 359.558 3.257 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C[C@@H](C)O1 ZINC000530516656 503995849 /nfs/dbraw/zinc/99/58/49/503995849.db2.gz GXGORJJQGOZYRO-GGPKGHCWSA-N 1 3 350.547 3.299 20 0 FGADHO C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002308 504034041 /nfs/dbraw/zinc/03/40/41/504034041.db2.gz IJRPQVWWGGPNMJ-IERDGZPVSA-N 1 3 367.493 3.105 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000530642115 504036218 /nfs/dbraw/zinc/03/62/18/504036218.db2.gz OPCVXGUGLIYTJN-UHFFFAOYSA-N 1 3 367.493 3.080 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528146439 504091053 /nfs/dbraw/zinc/09/10/53/504091053.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528146439 504091056 /nfs/dbraw/zinc/09/10/56/504091056.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 1 3 364.578 3.061 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151416 504093962 /nfs/dbraw/zinc/09/39/62/504093962.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 1 3 374.573 3.052 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528151416 504093967 /nfs/dbraw/zinc/09/39/67/504093967.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 1 3 374.573 3.052 20 0 FGADHO CN(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000531067605 504177272 /nfs/dbraw/zinc/17/72/72/504177272.db2.gz AVVHOOAEWUDKNY-LJQANCHMSA-N 1 3 359.901 3.434 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531107703 504191904 /nfs/dbraw/zinc/19/19/04/504191904.db2.gz IJISMRQRBWXEIG-IBGZPJMESA-N 1 3 359.558 3.394 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531107703 504191911 /nfs/dbraw/zinc/19/19/11/504191911.db2.gz IJISMRQRBWXEIG-IBGZPJMESA-N 1 3 359.558 3.394 20 0 FGADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000544622095 504194445 /nfs/dbraw/zinc/19/44/45/504194445.db2.gz RVZAEAHCJFHYIJ-AZUAARDMSA-N 1 3 366.594 3.115 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000544622278 504194898 /nfs/dbraw/zinc/19/48/98/504194898.db2.gz WJUPOWAGKKIZRM-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000544622278 504194903 /nfs/dbraw/zinc/19/49/03/504194903.db2.gz WJUPOWAGKKIZRM-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118832 504195723 /nfs/dbraw/zinc/19/57/23/504195723.db2.gz COHCLOYXGMNYRF-IAGOWNOFSA-N 1 3 372.340 3.049 20 0 FGADHO Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)n(C2CCN(C)CC2)n1 ZINC000547733502 504204257 /nfs/dbraw/zinc/20/42/57/504204257.db2.gz IUDKRGNAORYIBU-UHFFFAOYSA-N 1 3 361.534 3.051 20 0 FGADHO Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)n(C2CCN(C)CC2)n1 ZINC000547733502 504204262 /nfs/dbraw/zinc/20/42/62/504204262.db2.gz IUDKRGNAORYIBU-UHFFFAOYSA-N 1 3 361.534 3.051 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000531190525 504220272 /nfs/dbraw/zinc/22/02/72/504220272.db2.gz HRGTTYNILNNVEE-QGZVFWFLSA-N 1 3 373.545 3.051 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000531190525 504220276 /nfs/dbraw/zinc/22/02/76/504220276.db2.gz HRGTTYNILNNVEE-QGZVFWFLSA-N 1 3 373.545 3.051 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221096 /nfs/dbraw/zinc/22/10/96/504221096.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221099 /nfs/dbraw/zinc/22/10/99/504221099.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1nc([C@H]2CCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n[nH]1 ZINC000541761841 504245521 /nfs/dbraw/zinc/24/55/21/504245521.db2.gz FFQZQASIGMVWHL-IBGZPJMESA-N 1 3 355.530 3.451 20 0 FGADHO Cc1nc([C@H]2CCCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n[nH]1 ZINC000541761841 504245525 /nfs/dbraw/zinc/24/55/25/504245525.db2.gz FFQZQASIGMVWHL-IBGZPJMESA-N 1 3 355.530 3.451 20 0 FGADHO Cc1n[nH]c([C@H]2CCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000541761841 504245528 /nfs/dbraw/zinc/24/55/28/504245528.db2.gz FFQZQASIGMVWHL-IBGZPJMESA-N 1 3 355.530 3.451 20 0 FGADHO Cc1n[nH]c([C@H]2CCCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000541761841 504245533 /nfs/dbraw/zinc/24/55/33/504245533.db2.gz FFQZQASIGMVWHL-IBGZPJMESA-N 1 3 355.530 3.451 20 0 FGADHO C[NH+](C)CC1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCC1 ZINC000544799507 504263047 /nfs/dbraw/zinc/26/30/47/504263047.db2.gz LHIDVSXJEUANIW-HXUWFJFHSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616116 504304776 /nfs/dbraw/zinc/30/47/76/504304776.db2.gz VEOAHQAEELORNR-IEBWSBKVSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616116 504304781 /nfs/dbraw/zinc/30/47/81/504304781.db2.gz VEOAHQAEELORNR-IEBWSBKVSA-N 1 3 352.482 3.053 20 0 FGADHO OC[C@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)COc2ccccc2C1 ZINC000528646633 504312085 /nfs/dbraw/zinc/31/20/85/504312085.db2.gz UVKCLCQNVQFKAY-QHCPKHFHSA-N 1 3 366.505 3.128 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528652062 504313532 /nfs/dbraw/zinc/31/35/32/504313532.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 1 3 371.569 3.476 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528652062 504313540 /nfs/dbraw/zinc/31/35/40/504313540.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 1 3 371.569 3.476 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1C(C)(C)C ZINC000535086406 504338984 /nfs/dbraw/zinc/33/89/84/504338984.db2.gz AZYOTBVGZJTRQA-IBGZPJMESA-N 1 3 361.574 3.025 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204704 504394678 /nfs/dbraw/zinc/39/46/78/504394678.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204704 504394684 /nfs/dbraw/zinc/39/46/84/504394684.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723895 504404796 /nfs/dbraw/zinc/40/47/96/504404796.db2.gz RDYYEUNVSRQPNF-SUNKGSAMSA-N 1 3 364.843 3.484 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723895 504404804 /nfs/dbraw/zinc/40/48/04/504404804.db2.gz RDYYEUNVSRQPNF-SUNKGSAMSA-N 1 3 364.843 3.484 20 0 FGADHO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483287 504461932 /nfs/dbraw/zinc/46/19/32/504461932.db2.gz WAGWAPPDUDMGKI-SIKLNZKXSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@H](NCCC(=O)NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483287 504461935 /nfs/dbraw/zinc/46/19/35/504461935.db2.gz WAGWAPPDUDMGKI-SIKLNZKXSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@H](NCCC(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483287 504461936 /nfs/dbraw/zinc/46/19/36/504461936.db2.gz WAGWAPPDUDMGKI-SIKLNZKXSA-N 1 3 365.521 3.193 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339355 504470816 /nfs/dbraw/zinc/47/08/16/504470816.db2.gz QSUNDWAWWBQFAE-DENIHFKCSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339355 504470821 /nfs/dbraw/zinc/47/08/21/504470821.db2.gz QSUNDWAWWBQFAE-DENIHFKCSA-N 1 3 371.569 3.176 20 0 FGADHO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000528971780 504475462 /nfs/dbraw/zinc/47/54/62/504475462.db2.gz SHXCLFUYHCKMMY-IBGZPJMESA-N 1 3 374.529 3.156 20 0 FGADHO OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000531960795 504487907 /nfs/dbraw/zinc/48/79/07/504487907.db2.gz RPUHYCBBPPYAPJ-LMDPOFIKSA-N 1 3 370.459 3.377 20 0 FGADHO COc1c(C)cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000542694638 504578560 /nfs/dbraw/zinc/57/85/60/504578560.db2.gz ZIUMTQODUVTJSU-UHFFFAOYSA-N 1 3 359.558 3.162 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000520782533 504580471 /nfs/dbraw/zinc/58/04/71/504580471.db2.gz SVTUTAUASGLRNM-ZVDOUQERSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000520782533 504580478 /nfs/dbraw/zinc/58/04/78/504580478.db2.gz SVTUTAUASGLRNM-ZVDOUQERSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542747283 504594439 /nfs/dbraw/zinc/59/44/39/504594439.db2.gz ZIPSYKIMASEBOM-ROUUACIJSA-N 1 3 366.594 3.259 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542747283 504594442 /nfs/dbraw/zinc/59/44/42/504594442.db2.gz ZIPSYKIMASEBOM-ROUUACIJSA-N 1 3 366.594 3.259 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@H](C)CCO)CCC2)CC1 ZINC000539548085 504604770 /nfs/dbraw/zinc/60/47/70/504604770.db2.gz XCOJZNNIICGJFO-HXUWFJFHSA-N 1 3 373.585 3.497 20 0 FGADHO C[C@H](NC[C@@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609772 504624350 /nfs/dbraw/zinc/62/43/50/504624350.db2.gz MNHUUSPDQUABLX-QFBILLFUSA-N 1 3 356.466 3.118 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000536131133 504641837 /nfs/dbraw/zinc/64/18/37/504641837.db2.gz ZAWGVKPONJOZJM-QGZVFWFLSA-N 1 3 364.965 3.056 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000536131133 504641839 /nfs/dbraw/zinc/64/18/39/504641839.db2.gz ZAWGVKPONJOZJM-QGZVFWFLSA-N 1 3 364.965 3.056 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000536131129 504642400 /nfs/dbraw/zinc/64/24/00/504642400.db2.gz ZAWGVKPONJOZJM-KRWDZBQOSA-N 1 3 364.965 3.056 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000536131129 504642408 /nfs/dbraw/zinc/64/24/08/504642408.db2.gz ZAWGVKPONJOZJM-KRWDZBQOSA-N 1 3 364.965 3.056 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000542983786 504683917 /nfs/dbraw/zinc/68/39/17/504683917.db2.gz DACWQPASDWECGA-UHFFFAOYSA-N 1 3 366.594 3.262 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1sccc1Br ZINC000532549364 504689572 /nfs/dbraw/zinc/68/95/72/504689572.db2.gz XLHSUDHTVKDEAT-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H](C)O1 ZINC000543062318 504708842 /nfs/dbraw/zinc/70/88/42/504708842.db2.gz CJSMUXPUQFPKFG-GASCZTMLSA-N 1 3 352.906 3.254 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000543090093 504720812 /nfs/dbraw/zinc/72/08/12/504720812.db2.gz PHAHXOLQMKHDIA-OAHLLOKOSA-N 1 3 358.448 3.319 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000539890768 504731945 /nfs/dbraw/zinc/73/19/45/504731945.db2.gz MMINEEQLQZNTHB-IFMALSPDSA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000539890768 504731948 /nfs/dbraw/zinc/73/19/48/504731948.db2.gz MMINEEQLQZNTHB-IFMALSPDSA-N 1 3 357.542 3.220 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000521457805 504741578 /nfs/dbraw/zinc/74/15/78/504741578.db2.gz YMJZASKTZLLXEC-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO CN(CCN1CCCC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532860668 504768873 /nfs/dbraw/zinc/76/88/73/504768873.db2.gz HZTXIXMMZBGRBQ-UHFFFAOYSA-N 1 3 374.529 3.111 20 0 FGADHO Cn1nnc2cc(C[NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)ccc21 ZINC000565111115 504797263 /nfs/dbraw/zinc/79/72/63/504797263.db2.gz VAGYDDYNIYIZIZ-FQEVSTJZSA-N 1 3 363.509 3.360 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402788 504810509 /nfs/dbraw/zinc/81/05/09/504810509.db2.gz CAVXXYRHUKBCGM-NRFANRHFSA-N 1 3 370.541 3.328 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000559260739 504811751 /nfs/dbraw/zinc/81/17/51/504811751.db2.gz APMAIRCJLTYXPB-NQIIRXRSSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000559260739 504811756 /nfs/dbraw/zinc/81/17/56/504811756.db2.gz APMAIRCJLTYXPB-NQIIRXRSSA-N 1 3 373.541 3.213 20 0 FGADHO Cc1ccc(NC(=O)CCNCc2ccccc2C[NH+]2CCCCC2)nc1 ZINC000553463961 504921984 /nfs/dbraw/zinc/92/19/84/504921984.db2.gz ZEKSXEFRKGSDPJ-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270261 505008313 /nfs/dbraw/zinc/00/83/13/505008313.db2.gz LFWVDAUXKQKXQB-JOCHJYFZSA-N 1 3 365.521 3.408 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000556932256 505021754 /nfs/dbraw/zinc/02/17/54/505021754.db2.gz LUHFDNQQTOHWSV-XLIONFOSSA-N 1 3 374.529 3.013 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000565982632 505045026 /nfs/dbraw/zinc/04/50/26/505045026.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000565982632 505045028 /nfs/dbraw/zinc/04/50/28/505045028.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 1 3 374.573 3.315 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CCNC2 ZINC000557032635 505048308 /nfs/dbraw/zinc/04/83/08/505048308.db2.gz SIBQJRVMJWWKRO-PKOBYXMFSA-N 1 3 358.530 3.354 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036126 505049314 /nfs/dbraw/zinc/04/93/14/505049314.db2.gz ZNGCVSKTFOYMNY-DOTOQJQBSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036126 505049319 /nfs/dbraw/zinc/04/93/19/505049319.db2.gz ZNGCVSKTFOYMNY-DOTOQJQBSA-N 1 3 356.514 3.107 20 0 FGADHO C[N@@H+]1CC[C@@H](NCc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615101 505074024 /nfs/dbraw/zinc/07/40/24/505074024.db2.gz DTRXCQAPYBHGJE-FGZHOGPDSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@@H](NCc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615101 505074030 /nfs/dbraw/zinc/07/40/30/505074030.db2.gz DTRXCQAPYBHGJE-FGZHOGPDSA-N 1 3 361.493 3.252 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088767 505076485 /nfs/dbraw/zinc/07/64/85/505076485.db2.gz KZFVDFMHBXJLNR-YEWWUXTCSA-N 1 3 360.452 3.250 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000566185462 505106943 /nfs/dbraw/zinc/10/69/43/505106943.db2.gz IOFCZDBFPQPICQ-HNNXBMFYSA-N 1 3 355.910 3.243 20 0 FGADHO C[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000560548096 505123051 /nfs/dbraw/zinc/12/30/51/505123051.db2.gz KTTQGUKYYBRDBR-ULQDDVLXSA-N 1 3 352.320 3.323 20 0 FGADHO C[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000560548096 505123055 /nfs/dbraw/zinc/12/30/55/505123055.db2.gz KTTQGUKYYBRDBR-ULQDDVLXSA-N 1 3 352.320 3.323 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563382692 505127502 /nfs/dbraw/zinc/12/75/02/505127502.db2.gz HAOMWDGDNOQPGX-UHFFFAOYSA-N 1 3 369.509 3.120 20 0 FGADHO CC[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000566407187 505166312 /nfs/dbraw/zinc/16/63/12/505166312.db2.gz NPOUBZKSDLTUAW-RTBURBONSA-N 1 3 350.551 3.003 20 0 FGADHO CC[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566407182 505166824 /nfs/dbraw/zinc/16/68/24/505166824.db2.gz NPOUBZKSDLTUAW-MOPGFXCFSA-N 1 3 350.551 3.003 20 0 FGADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554464624 505179658 /nfs/dbraw/zinc/17/96/58/505179658.db2.gz NUCBJKOHLWQAOL-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000563581357 505182748 /nfs/dbraw/zinc/18/27/48/505182748.db2.gz OSXGBGGJAXTGDT-NBOOPKSLSA-N 1 3 364.559 3.042 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000563824562 505249935 /nfs/dbraw/zinc/24/99/35/505249935.db2.gz DJJPBRQOQSKKHP-UHFFFAOYSA-N 1 3 355.530 3.436 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000563824562 505249941 /nfs/dbraw/zinc/24/99/41/505249941.db2.gz DJJPBRQOQSKKHP-UHFFFAOYSA-N 1 3 355.530 3.436 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000561193867 505276633 /nfs/dbraw/zinc/27/66/33/505276633.db2.gz PKHQRSDVAODAPR-YZGWKJHDSA-N 1 3 372.557 3.117 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554864806 505284234 /nfs/dbraw/zinc/28/42/34/505284234.db2.gz GLBGILBWCVFRRQ-GHTZIAJQSA-N 1 3 363.505 3.424 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000566917276 505310804 /nfs/dbraw/zinc/31/08/04/505310804.db2.gz CHLBQRXLOFBDKL-JOCHJYFZSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000564098420 505326132 /nfs/dbraw/zinc/32/61/32/505326132.db2.gz ONPQOEWAAQRZCG-HXUWFJFHSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000564098420 505326133 /nfs/dbraw/zinc/32/61/33/505326133.db2.gz ONPQOEWAAQRZCG-HXUWFJFHSA-N 1 3 357.542 3.087 20 0 FGADHO CN(CCCN(C)C(=O)NCC1([NH+](C)C)CCCCC1)Cc1ccco1 ZINC000561422998 505341013 /nfs/dbraw/zinc/34/10/13/505341013.db2.gz UEFDHFCUJJYMQC-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@@H](NC1(CO)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147512 505376713 /nfs/dbraw/zinc/37/67/13/505376713.db2.gz PHOHSQCRIHRYOO-XMSQKQJNSA-N 1 3 350.506 3.017 20 0 FGADHO C[C@@H](NC1(CO)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147512 505376720 /nfs/dbraw/zinc/37/67/20/505376720.db2.gz PHOHSQCRIHRYOO-XMSQKQJNSA-N 1 3 350.506 3.017 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000558415961 505382944 /nfs/dbraw/zinc/38/29/44/505382944.db2.gz FSYVQRXQMQACKM-BHIFYINESA-N 1 3 364.489 3.473 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000555417651 505428208 /nfs/dbraw/zinc/42/82/08/505428208.db2.gz FXEAPPGVDHCZOO-PGRDOPGGSA-N 1 3 358.574 3.225 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000555417651 505428211 /nfs/dbraw/zinc/42/82/11/505428211.db2.gz FXEAPPGVDHCZOO-PGRDOPGGSA-N 1 3 358.574 3.225 20 0 FGADHO Cc1c(C)c(C)c(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c(C)c1C ZINC000561841488 505447017 /nfs/dbraw/zinc/44/70/17/505447017.db2.gz GMRWFEMDUDSCIP-UHFFFAOYSA-N 1 3 359.558 3.119 20 0 FGADHO c1cn(-c2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641532 505521926 /nfs/dbraw/zinc/52/19/26/505521926.db2.gz LWKVERPILOSKPS-IFMALSPDSA-N 1 3 360.461 3.218 20 0 FGADHO CN(C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000562176376 505532575 /nfs/dbraw/zinc/53/25/75/505532575.db2.gz YXEAOWLGMRQIAT-KRWDZBQOSA-N 1 3 364.509 3.037 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1cccs1 ZINC000564846571 505537059 /nfs/dbraw/zinc/53/70/59/505537059.db2.gz PQBBKKYTFCNIQP-LJQANCHMSA-N 1 3 360.523 3.011 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000589221102 506490875 /nfs/dbraw/zinc/49/08/75/506490875.db2.gz OZOWRKCTTRRQHF-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000589221102 506490881 /nfs/dbraw/zinc/49/08/81/506490881.db2.gz OZOWRKCTTRRQHF-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N1CCCCC1 ZINC000593265467 506502177 /nfs/dbraw/zinc/50/21/77/506502177.db2.gz SARJZENVWVVUQO-FQEVSTJZSA-N 1 3 361.530 3.466 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608624034 506637048 /nfs/dbraw/zinc/63/70/48/506637048.db2.gz CDLLLKXSAQHVDW-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608674012 506659190 /nfs/dbraw/zinc/65/91/90/506659190.db2.gz NEMVRGDDQZGNER-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685393 506664928 /nfs/dbraw/zinc/66/49/28/506664928.db2.gz PYQHTRLXMWDFKU-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1CC ZINC000608697770 506672770 /nfs/dbraw/zinc/67/27/70/506672770.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1CC ZINC000608697770 506672773 /nfs/dbraw/zinc/67/27/73/506672773.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604116672 506720211 /nfs/dbraw/zinc/72/02/11/506720211.db2.gz XRPKYRZFFFTRMP-OAQYLSRUSA-N 1 3 372.557 3.263 20 0 FGADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590125822 506743915 /nfs/dbraw/zinc/74/39/15/506743915.db2.gz NUOADWXVYZXQDF-CQSZACIVSA-N 1 3 361.313 3.007 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000604202208 506749681 /nfs/dbraw/zinc/74/96/81/506749681.db2.gz STQOAKPNOPWYKE-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO COC(=O)c1oc(CNCC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000597052197 506750778 /nfs/dbraw/zinc/75/07/78/506750778.db2.gz RILLYMMNMJDMAA-UHFFFAOYSA-N 1 3 362.495 3.438 20 0 FGADHO COC(=O)c1cc2cc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730151 506752113 /nfs/dbraw/zinc/75/21/13/506752113.db2.gz KVQLZCCGLNVTDN-SCTDSRPQSA-N 1 3 372.465 3.080 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000604727920 506920374 /nfs/dbraw/zinc/92/03/74/506920374.db2.gz LAPLHLXIDSGORV-FQEVSTJZSA-N 1 3 359.558 3.381 20 0 FGADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594090495 506934515 /nfs/dbraw/zinc/93/45/15/506934515.db2.gz SDMNEUKVKZIFBG-WOJBJXKFSA-N 1 3 364.578 3.013 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000600844100 507144998 /nfs/dbraw/zinc/14/49/98/507144998.db2.gz SAWRZYJNOPXPIJ-QZTJIDSGSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844100 507145005 /nfs/dbraw/zinc/14/50/05/507145005.db2.gz SAWRZYJNOPXPIJ-QZTJIDSGSA-N 1 3 366.575 3.305 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000600862673 507149718 /nfs/dbraw/zinc/14/97/18/507149718.db2.gz CGGWLDIKNBMYDS-LEWJYISDSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CC[NH+](C)C)CC1 ZINC000605423062 507187728 /nfs/dbraw/zinc/18/77/28/507187728.db2.gz WLNKLQUTAWKQNA-VXRQLKRISA-N 1 3 361.574 3.124 20 0 FGADHO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000584248283 507236310 /nfs/dbraw/zinc/23/63/10/507236310.db2.gz JLAHXQPSYQONKD-OXQOHEQNSA-N 1 3 360.473 3.020 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000584491722 507374672 /nfs/dbraw/zinc/37/46/72/507374672.db2.gz XWWJHZQKCTWDOY-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000584491722 507374680 /nfs/dbraw/zinc/37/46/80/507374680.db2.gz XWWJHZQKCTWDOY-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@@H]2CNc3ccnn3C2)C1 ZINC000595139194 507405406 /nfs/dbraw/zinc/40/54/06/507405406.db2.gz GSZGPVXERSRNKA-CEXWTWQISA-N 1 3 367.541 3.193 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@@H]2CNc3ccnn3C2)C1 ZINC000595139194 507405415 /nfs/dbraw/zinc/40/54/15/507405415.db2.gz GSZGPVXERSRNKA-CEXWTWQISA-N 1 3 367.541 3.193 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606702201 507487701 /nfs/dbraw/zinc/48/77/01/507487701.db2.gz RTSHQFOCKYYMJS-KRWDZBQOSA-N 1 3 360.546 3.010 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000584760964 507488398 /nfs/dbraw/zinc/48/83/98/507488398.db2.gz ZXLZPRVFLGTQBU-UHFFFAOYSA-N 1 3 372.582 3.046 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)n2c1CCCC2 ZINC000598638253 507528284 /nfs/dbraw/zinc/52/82/84/507528284.db2.gz CYMXBMWJDNJHIB-KRWDZBQOSA-N 1 3 361.530 3.213 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)n2c1CCCC2 ZINC000598638253 507528286 /nfs/dbraw/zinc/52/82/86/507528286.db2.gz CYMXBMWJDNJHIB-KRWDZBQOSA-N 1 3 361.530 3.213 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000595657235 507617517 /nfs/dbraw/zinc/61/75/17/507617517.db2.gz CLCQGEJWLSXOQD-UXHICEINSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000595657235 507617523 /nfs/dbraw/zinc/61/75/23/507617523.db2.gz CLCQGEJWLSXOQD-UXHICEINSA-N 1 3 360.546 3.243 20 0 FGADHO COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000595893461 507729921 /nfs/dbraw/zinc/72/99/21/507729921.db2.gz RJBHYDBPFFBLJW-QGZVFWFLSA-N 1 3 352.478 3.144 20 0 FGADHO Cc1c(NC[C@@H]2CCN2C(C)(C)C)ncnc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000630095186 522615746 /nfs/dbraw/zinc/61/57/46/522615746.db2.gz VPRUDMBMYSRSBL-IRXDYDNUSA-N 1 3 374.577 3.354 20 0 FGADHO Cc1c(NC[C@@H]2CCN2C(C)(C)C)ncnc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000630095186 522615753 /nfs/dbraw/zinc/61/57/53/522615753.db2.gz VPRUDMBMYSRSBL-IRXDYDNUSA-N 1 3 374.577 3.354 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643293903 568735464 /nfs/dbraw/zinc/73/54/64/568735464.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643293903 568735466 /nfs/dbraw/zinc/73/54/66/568735466.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820703026 606915267 /nfs/dbraw/zinc/91/52/67/606915267.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820703026 606915269 /nfs/dbraw/zinc/91/52/69/606915269.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820703026 606915271 /nfs/dbraw/zinc/91/52/71/606915271.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820703026 606915272 /nfs/dbraw/zinc/91/52/72/606915272.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825418965 608882698 /nfs/dbraw/zinc/88/26/98/608882698.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825418965 608882700 /nfs/dbraw/zinc/88/27/00/608882700.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1)CC1CC1 ZINC000825418965 608882703 /nfs/dbraw/zinc/88/27/03/608882703.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1)CC1CC1 ZINC000825418965 608882706 /nfs/dbraw/zinc/88/27/06/608882706.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584811 609334993 /nfs/dbraw/zinc/33/49/93/609334993.db2.gz HUCJNXRVULRMQT-OAHLLOKOSA-N 1 3 360.481 3.313 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054539 724385355 /nfs/dbraw/zinc/38/53/55/724385355.db2.gz PZIOUIUIJNMXGZ-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO C[NH+]1CCC(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000111384092 700547907 /nfs/dbraw/zinc/54/79/07/700547907.db2.gz KNLUUAHCCUBQBM-UHFFFAOYSA-N 1 3 363.303 3.271 20 0 FGADHO CC[NH+](CC)Cc1cc([C@@H](C)NCC2(C)OCCCO2)ccc1OC ZINC000190666557 712819662 /nfs/dbraw/zinc/81/96/62/712819662.db2.gz ZSSKRCCCWCTYKU-MRXNPFEDSA-N 1 3 350.503 3.341 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(Cl)n1 ZINC000374188661 713904368 /nfs/dbraw/zinc/90/43/68/713904368.db2.gz CJCGXPSLLRANFF-UHFFFAOYSA-N 1 3 364.965 3.363 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120661 715477765 /nfs/dbraw/zinc/47/77/65/715477765.db2.gz DPCQKGXKXCDBMD-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120661 715477768 /nfs/dbraw/zinc/47/77/68/715477768.db2.gz DPCQKGXKXCDBMD-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120661 715477771 /nfs/dbraw/zinc/47/77/71/715477771.db2.gz DPCQKGXKXCDBMD-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552371 716305896 /nfs/dbraw/zinc/30/58/96/716305896.db2.gz IOTGGBHOXBMVAT-MOPGFXCFSA-N 1 3 361.921 3.213 20 0 FGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552374 716305983 /nfs/dbraw/zinc/30/59/83/716305983.db2.gz IOTGGBHOXBMVAT-RTBURBONSA-N 1 3 361.921 3.213 20 0 FGADHO CCOc1c(Cl)cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1OC ZINC000638389155 717442948 /nfs/dbraw/zinc/44/29/48/717442948.db2.gz DTBJFVNJIRJASY-UHFFFAOYSA-N 1 3 370.921 3.072 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583858 718128506 /nfs/dbraw/zinc/12/85/06/718128506.db2.gz ZIAQIMLUHZQALW-ZNMIVQPWSA-N 1 3 361.313 3.196 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000647342263 718351280 /nfs/dbraw/zinc/35/12/80/718351280.db2.gz LTWOQYFDYLSWBG-NRFANRHFSA-N 1 3 354.579 3.433 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CCN ZINC000652354269 718936415 /nfs/dbraw/zinc/93/64/15/718936415.db2.gz RJBVKJLBEQMULB-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CCN ZINC000652354269 718936416 /nfs/dbraw/zinc/93/64/16/718936416.db2.gz RJBVKJLBEQMULB-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354269 718936417 /nfs/dbraw/zinc/93/64/17/718936417.db2.gz RJBVKJLBEQMULB-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO CN(Cc1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619198 719048414 /nfs/dbraw/zinc/04/84/14/719048414.db2.gz BZSKMEWJJNDLGQ-GGAORHGYSA-N 1 3 362.521 3.259 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3sccc3C)CC2)CC1 ZINC000654396880 719197267 /nfs/dbraw/zinc/19/72/67/719197267.db2.gz GRDPTKCWBLJKRH-UHFFFAOYSA-N 1 3 363.571 3.211 20 0 FGADHO Brc1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536477 719668264 /nfs/dbraw/zinc/66/82/64/719668264.db2.gz JWRZJCNGTSYXIN-UHFFFAOYSA-N 1 3 367.331 3.430 20 0 FGADHO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657846722 719719944 /nfs/dbraw/zinc/71/99/44/719719944.db2.gz QAZSOHHMJQSCSW-GXTWGEPZSA-N 1 3 364.839 3.336 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659427664 719912829 /nfs/dbraw/zinc/91/28/29/719912829.db2.gz QUWFBTIJGQJIOZ-MRXNPFEDSA-N 1 3 364.559 3.092 20 0 FGADHO FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978940 719967027 /nfs/dbraw/zinc/96/70/27/719967027.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978940 719967033 /nfs/dbraw/zinc/96/70/33/719967033.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 1 3 350.453 3.399 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297889 720412042 /nfs/dbraw/zinc/41/20/42/720412042.db2.gz SSOYQDALPAZTEF-DOTOQJQBSA-N 1 3 363.933 3.229 20 0 FGADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662314582 720414542 /nfs/dbraw/zinc/41/45/42/720414542.db2.gz OFNMSYVSUDGGBH-UKRRQHHQSA-N 1 3 357.951 3.199 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000675178229 721735827 /nfs/dbraw/zinc/73/58/27/721735827.db2.gz VAKSPHHTOWTYQD-ZWKOTPCHSA-N 1 3 366.575 3.305 20 0 FGADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C3CSC3)CC2)cc1 ZINC000679625317 722037079 /nfs/dbraw/zinc/03/70/79/722037079.db2.gz RRAWHIUWPLNHOY-UHFFFAOYSA-N 1 3 353.535 3.214 20 0 FGADHO C[C@](O)(CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115762 722420925 /nfs/dbraw/zinc/42/09/25/722420925.db2.gz NJDRXQRYJWWFDT-GJZGRUSLSA-N 1 3 366.374 3.047 20 0 FGADHO C[C@](O)(CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115762 722420926 /nfs/dbraw/zinc/42/09/26/722420926.db2.gz NJDRXQRYJWWFDT-GJZGRUSLSA-N 1 3 366.374 3.047 20 0 FGADHO CC(C)[C@H](C)N1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496569 722435656 /nfs/dbraw/zinc/43/56/56/722435656.db2.gz ZIQYEICITHCGLR-HNNXBMFYSA-N 1 3 360.571 3.427 20 0 FGADHO CCN1CCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469574 722444874 /nfs/dbraw/zinc/44/48/74/722444874.db2.gz ZMSSIPVBUDOZHH-GOSISDBHSA-N 1 3 353.551 3.345 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178912 723995498 /nfs/dbraw/zinc/99/54/98/723995498.db2.gz QRSAKSSPIVSJNV-MRXNPFEDSA-N 1 3 363.933 3.153 20 0 FGADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)sc(=O)n2C ZINC000809738784 725264147 /nfs/dbraw/zinc/26/41/47/725264147.db2.gz JQJBYNPHLNZURH-UHFFFAOYSA-N 1 3 355.507 3.294 20 0 FGADHO CCC[NH+]1CCC(N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246017 725299457 /nfs/dbraw/zinc/29/94/57/725299457.db2.gz LFEJVIHCDBFPIH-OXQOHEQNSA-N 1 3 353.551 3.344 20 0 FGADHO CN(CCc1ccc(F)cc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000811506800 725370731 /nfs/dbraw/zinc/37/07/31/725370731.db2.gz GGPMYPQRQUZOML-GOSISDBHSA-N 1 3 353.913 3.122 20 0 FGADHO CN(CCc1ccc(F)cc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000811506800 725370733 /nfs/dbraw/zinc/37/07/33/725370733.db2.gz GGPMYPQRQUZOML-GOSISDBHSA-N 1 3 353.913 3.122 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133369 727350944 /nfs/dbraw/zinc/35/09/44/727350944.db2.gz OWTYGIPPRQHRKG-MJBXVCDLSA-N 1 3 361.313 3.196 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1cccc(Br)c1 ZINC000819278026 727363801 /nfs/dbraw/zinc/36/38/01/727363801.db2.gz KETSLSPGUAAXAV-OFLPRAFFSA-N 1 3 353.304 3.089 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414254 729278216 /nfs/dbraw/zinc/27/82/16/729278216.db2.gz SWMCLKNAUAJULG-OXQOHEQNSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384195 729335233 /nfs/dbraw/zinc/33/52/33/729335233.db2.gz ZGKSZFDHZOXSDX-RCCFBDPRSA-N 1 3 353.551 3.342 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000840885386 730188180 /nfs/dbraw/zinc/18/81/80/730188180.db2.gz XQYGFVLWCRYSHK-MRXNPFEDSA-N 1 3 359.901 3.413 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(C)s3)CC2)CC1 ZINC000847379446 731050899 /nfs/dbraw/zinc/05/08/99/731050899.db2.gz GASHBTJVDGWNIQ-MRXNPFEDSA-N 1 3 363.571 3.430 20 0 FGADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529045 731176051 /nfs/dbraw/zinc/17/60/51/731176051.db2.gz QRIRFJDVXUVUAO-ZWKOTPCHSA-N 1 3 373.324 3.260 20 0 FGADHO [NH2+]=C(NCCc1cccs1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000849095671 731228646 /nfs/dbraw/zinc/22/86/46/731228646.db2.gz ITSGWNOTRCQRIW-UHFFFAOYSA-N 1 3 374.476 3.210 20 0 FGADHO CC(C)C[NH+]1CCC(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410141 733193175 /nfs/dbraw/zinc/19/31/75/733193175.db2.gz JWBJYQMFVAYACA-OAHLLOKOSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410141 733193179 /nfs/dbraw/zinc/19/31/79/733193179.db2.gz JWBJYQMFVAYACA-OAHLLOKOSA-N 1 3 363.493 3.245 20 0 FGADHO FC(F)(F)c1ccn([C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873207885 735737824 /nfs/dbraw/zinc/73/78/24/735737824.db2.gz FLRIOGGVYSKOPQ-CYBMUJFWSA-N 1 3 370.444 3.446 20 0 FGADHO CN(CCCCCC[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000874432573 735869094 /nfs/dbraw/zinc/86/90/94/735869094.db2.gz NHWJKRYNEQUJEH-INIZCTEOSA-N 1 3 352.548 3.046 20 0 FGADHO CN1CCC(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000892049316 739961551 /nfs/dbraw/zinc/96/15/51/739961551.db2.gz HKFLJLZDUUUCOH-UHFFFAOYSA-N 1 3 354.416 3.340 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2 ZINC000894748500 742327015 /nfs/dbraw/zinc/32/70/15/742327015.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 1 3 361.477 3.092 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2 ZINC000894748500 742327021 /nfs/dbraw/zinc/32/70/21/742327021.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 1 3 361.477 3.092 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@@H]1C(F)(F)F ZINC000895587366 742430183 /nfs/dbraw/zinc/43/01/83/742430183.db2.gz QBJJSHZDJLZRPY-JONQDZQNSA-N 1 3 364.452 3.218 20 0 FGADHO [NH3+]CCCC[C@H](NCCC(=O)N1CCCCC1)c1ccc(F)cc1F ZINC000902315809 743730888 /nfs/dbraw/zinc/73/08/88/743730888.db2.gz NHSACPLEJROKMZ-SFHVURJKSA-N 1 3 353.457 3.127 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000918120253 758304434 /nfs/dbraw/zinc/30/44/34/758304434.db2.gz HDTMIMVXGYRLRH-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688963 758770968 /nfs/dbraw/zinc/77/09/68/758770968.db2.gz MVLBPIYLXOKYRU-KZNAEPCWSA-N 1 3 353.551 3.390 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395338 758913555 /nfs/dbraw/zinc/91/35/55/758913555.db2.gz VMRVIQOTTLAANZ-PSBWJHGTSA-N 1 3 356.432 3.063 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395338 758913558 /nfs/dbraw/zinc/91/35/58/758913558.db2.gz VMRVIQOTTLAANZ-PSBWJHGTSA-N 1 3 356.432 3.063 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924933568 759419790 /nfs/dbraw/zinc/41/97/90/759419790.db2.gz WCBCXWVYVCZJLD-CTXDPNEZSA-N 1 3 364.555 3.160 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479969 759495483 /nfs/dbraw/zinc/49/54/83/759495483.db2.gz TVIOIFOAVAGBEW-PYOKUCOHSA-N 1 3 364.331 3.146 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881270 759836646 /nfs/dbraw/zinc/83/66/46/759836646.db2.gz SPHUJNBLWXGACN-QKMNUUQDSA-N 1 3 363.933 3.182 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881270 759836655 /nfs/dbraw/zinc/83/66/55/759836655.db2.gz SPHUJNBLWXGACN-QKMNUUQDSA-N 1 3 363.933 3.182 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC000960007061 762730917 /nfs/dbraw/zinc/73/09/17/762730917.db2.gz AFLGKIIXCYFIGP-BPQIPLTHSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC000960007061 762730921 /nfs/dbraw/zinc/73/09/21/762730921.db2.gz AFLGKIIXCYFIGP-BPQIPLTHSA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001045444812 766537632 /nfs/dbraw/zinc/53/76/32/766537632.db2.gz XQJFINKIENHYMK-ZWKOTPCHSA-N 1 3 363.571 3.258 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001045444812 766537636 /nfs/dbraw/zinc/53/76/36/766537636.db2.gz XQJFINKIENHYMK-ZWKOTPCHSA-N 1 3 363.571 3.258 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000274617842 257374395 /nfs/dbraw/zinc/37/43/95/257374395.db2.gz JVKVUEMPGCMTLM-INIZCTEOSA-N 1 3 360.546 3.322 20 0 FGADHO CCn1nc(C)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585520 /nfs/dbraw/zinc/58/55/20/505585520.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 1 3 352.526 3.474 20 0 FGADHO CCn1nc(C)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585525 /nfs/dbraw/zinc/58/55/25/505585525.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 1 3 352.526 3.474 20 0 FGADHO CC(C)[C@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2ccccc2C1 ZINC000568153636 505628897 /nfs/dbraw/zinc/62/88/97/505628897.db2.gz PCZRILBTXWTPAD-QFIPXVFZSA-N 1 3 365.521 3.001 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccc3ccccc3c2)c1 ZINC000570997891 505629464 /nfs/dbraw/zinc/62/94/64/505629464.db2.gz ZLHGBZPPNIXTHW-QFIPXVFZSA-N 1 3 364.489 3.431 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000580024607 505664250 /nfs/dbraw/zinc/66/42/50/505664250.db2.gz FHOQYVBWOTVHCV-RBSFLKMASA-N 1 3 370.335 3.384 20 0 FGADHO CN(C)c1cc(Cl)cc(Cl)c1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000577106130 505665625 /nfs/dbraw/zinc/66/56/25/505665625.db2.gz HGYIVXCKVRJAOK-OAHLLOKOSA-N 1 3 374.356 3.386 20 0 FGADHO CN(C)c1cc(Cl)cc(Cl)c1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000577106130 505665629 /nfs/dbraw/zinc/66/56/29/505665629.db2.gz HGYIVXCKVRJAOK-OAHLLOKOSA-N 1 3 374.356 3.386 20 0 FGADHO Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(OCCN(C)C)c1 ZINC000574052178 505683051 /nfs/dbraw/zinc/68/30/51/505683051.db2.gz WTULXNLUTJMXGV-UHFFFAOYSA-N 1 3 369.509 3.292 20 0 FGADHO CCCCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800591 493935178 /nfs/dbraw/zinc/93/51/78/493935178.db2.gz DAGDPKFSGFBMPT-UHFFFAOYSA-N 1 3 357.542 3.318 20 0 FGADHO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)CNCC2 ZINC000577226393 505691169 /nfs/dbraw/zinc/69/11/69/505691169.db2.gz HXXPPQUWSNPWIN-UHFFFAOYSA-N 1 3 368.521 3.422 20 0 FGADHO COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)CNCC2 ZINC000577226393 505691172 /nfs/dbraw/zinc/69/11/72/505691172.db2.gz HXXPPQUWSNPWIN-UHFFFAOYSA-N 1 3 368.521 3.422 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052524377 494035463 /nfs/dbraw/zinc/03/54/63/494035463.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052524377 494035464 /nfs/dbraw/zinc/03/54/64/494035464.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042136 /nfs/dbraw/zinc/04/21/36/494042136.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 1 3 357.542 3.151 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042139 /nfs/dbraw/zinc/04/21/39/494042139.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 1 3 357.542 3.151 20 0 FGADHO Cc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000084018237 494044012 /nfs/dbraw/zinc/04/40/12/494044012.db2.gz PMNHCRPJSQSLNW-HDICACEKSA-N 1 3 356.514 3.160 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000064739108 494146057 /nfs/dbraw/zinc/14/60/57/494146057.db2.gz SNGBWACRZPKZTJ-UHFFFAOYSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000064739108 494146060 /nfs/dbraw/zinc/14/60/60/494146060.db2.gz SNGBWACRZPKZTJ-UHFFFAOYSA-N 1 3 371.569 3.477 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000054509430 494242520 /nfs/dbraw/zinc/24/25/20/494242520.db2.gz PNCKPWKXPNRVMJ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000054509430 494242526 /nfs/dbraw/zinc/24/25/26/494242526.db2.gz PNCKPWKXPNRVMJ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000042929583 494252426 /nfs/dbraw/zinc/25/24/26/494252426.db2.gz VPEAPUZRBFCNFR-OALUTQOASA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000042929583 494252429 /nfs/dbraw/zinc/25/24/29/494252429.db2.gz VPEAPUZRBFCNFR-OALUTQOASA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000072949903 494289122 /nfs/dbraw/zinc/28/91/22/494289122.db2.gz KDTXMPOUOUNKDP-RBUKOAKNSA-N 1 3 374.529 3.108 20 0 FGADHO C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000044291904 494347829 /nfs/dbraw/zinc/34/78/29/494347829.db2.gz PJWBSRVARURCNW-FQEVSTJZSA-N 1 3 352.482 3.144 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000073493923 494378625 /nfs/dbraw/zinc/37/86/25/494378625.db2.gz ZWLOFVONINXNPH-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000073666516 494410115 /nfs/dbraw/zinc/41/01/15/494410115.db2.gz ZYSHLCVPDLNINK-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000073666516 494410120 /nfs/dbraw/zinc/41/01/20/494410120.db2.gz ZYSHLCVPDLNINK-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000090038758 494432356 /nfs/dbraw/zinc/43/23/56/494432356.db2.gz OSTCXXVWNXTZLZ-IBGZPJMESA-N 1 3 369.509 3.374 20 0 FGADHO COc1cc(C)c([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1OC ZINC000090937442 494504431 /nfs/dbraw/zinc/50/44/31/494504431.db2.gz FBGAQKVTKJJUHF-MRXNPFEDSA-N 1 3 373.497 3.198 20 0 FGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000074320884 494518085 /nfs/dbraw/zinc/51/80/85/494518085.db2.gz ACTJLXZHSSYRPA-HXUWFJFHSA-N 1 3 355.526 3.086 20 0 FGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000074320884 494518088 /nfs/dbraw/zinc/51/80/88/494518088.db2.gz ACTJLXZHSSYRPA-HXUWFJFHSA-N 1 3 355.526 3.086 20 0 FGADHO CCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000067452994 494544461 /nfs/dbraw/zinc/54/44/61/494544461.db2.gz SMNSKMGIIRXQBE-IAGOWNOFSA-N 1 3 350.503 3.073 20 0 FGADHO O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504112 494554091 /nfs/dbraw/zinc/55/40/91/494554091.db2.gz ZYYUIWPAPHPGBH-HXUWFJFHSA-N 1 3 367.493 3.017 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091283705 494577287 /nfs/dbraw/zinc/57/72/87/494577287.db2.gz MYMIKQOZPZKWMI-SFHVURJKSA-N 1 3 366.347 3.052 20 0 FGADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000568593900 505731387 /nfs/dbraw/zinc/73/13/87/505731387.db2.gz KUCOIIOIXFHMIW-VSKRKVRLSA-N 1 3 363.505 3.318 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000067705166 494616251 /nfs/dbraw/zinc/61/62/51/494616251.db2.gz ODYJNIGNNZDVGS-OAQYLSRUSA-N 1 3 368.525 3.159 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164829 494619981 /nfs/dbraw/zinc/61/99/81/494619981.db2.gz PCWKGWVPBMTWJP-PZJWPPBQSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164829 494619988 /nfs/dbraw/zinc/61/99/88/494619988.db2.gz PCWKGWVPBMTWJP-PZJWPPBQSA-N 1 3 374.573 3.269 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785781 494621738 /nfs/dbraw/zinc/62/17/38/494621738.db2.gz QKZQWNJTUUNPFB-UYAOXDASSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785781 494621741 /nfs/dbraw/zinc/62/17/41/494621741.db2.gz QKZQWNJTUUNPFB-UYAOXDASSA-N 1 3 360.546 3.053 20 0 FGADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428303 494706007 /nfs/dbraw/zinc/70/60/07/494706007.db2.gz GOUBILWGEOTUFB-OAHLLOKOSA-N 1 3 352.404 3.323 20 0 FGADHO C[N@H+]1CCC[C@H](CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428303 494706016 /nfs/dbraw/zinc/70/60/16/494706016.db2.gz GOUBILWGEOTUFB-OAHLLOKOSA-N 1 3 352.404 3.323 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371732 494724897 /nfs/dbraw/zinc/72/48/97/494724897.db2.gz IYZXUQHPHAIWDV-HUUCEWRRSA-N 1 3 373.463 3.351 20 0 FGADHO [NH3+][C@H]1CCC[C@H](NCCSCCOc2cccc(Br)c2)C1 ZINC000568664381 505747813 /nfs/dbraw/zinc/74/78/13/505747813.db2.gz RIWIDUYICAMYSJ-GJZGRUSLSA-N 1 3 373.360 3.421 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534744 494889102 /nfs/dbraw/zinc/88/91/02/494889102.db2.gz YZXUAYXEENPIAB-PBHICJAKSA-N 1 3 370.463 3.093 20 0 FGADHO CN(CCc1nccs1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093843959 494926852 /nfs/dbraw/zinc/92/68/52/494926852.db2.gz MKUFJPGWQYJCRY-UHFFFAOYSA-N 1 3 358.555 3.348 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000132874287 494936707 /nfs/dbraw/zinc/93/67/07/494936707.db2.gz IHDKIKWDODOJJA-UHFFFAOYSA-N 1 3 374.451 3.139 20 0 FGADHO C[C@@H](CNCc1ccccc1N(C)C1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000133120483 494972909 /nfs/dbraw/zinc/97/29/09/494972909.db2.gz JAUBFDLUDRPABA-FQEVSTJZSA-N 1 3 372.601 3.429 20 0 FGADHO CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N(C)C ZINC000110680217 495001095 /nfs/dbraw/zinc/00/10/95/495001095.db2.gz SDLOQWZMJDYRBO-FQEVSTJZSA-N 1 3 374.529 3.026 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551443 505759934 /nfs/dbraw/zinc/75/99/34/505759934.db2.gz MXNGRDIKADRQCO-WMZOPIPTSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551443 505759937 /nfs/dbraw/zinc/75/99/37/505759937.db2.gz MXNGRDIKADRQCO-WMZOPIPTSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551443 505759940 /nfs/dbraw/zinc/75/99/40/505759940.db2.gz MXNGRDIKADRQCO-WMZOPIPTSA-N 1 3 358.448 3.319 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098142 /nfs/dbraw/zinc/09/81/42/495098142.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098145 /nfs/dbraw/zinc/09/81/45/495098145.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000111801114 495113181 /nfs/dbraw/zinc/11/31/81/495113181.db2.gz RRGJICCCLSBMLC-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000111801114 495113183 /nfs/dbraw/zinc/11/31/83/495113183.db2.gz RRGJICCCLSBMLC-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CCCC1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000101993694 495113876 /nfs/dbraw/zinc/11/38/76/495113876.db2.gz DEKNZWFBNSEJOD-UHFFFAOYSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123332833 495115914 /nfs/dbraw/zinc/11/59/14/495115914.db2.gz WYYDIKUNHXXAPF-KRWDZBQOSA-N 1 3 363.521 3.226 20 0 FGADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123455424 495135050 /nfs/dbraw/zinc/13/50/50/495135050.db2.gz RJXUNTHXLANGLT-UHFFFAOYSA-N 1 3 359.558 3.477 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590871 505767730 /nfs/dbraw/zinc/76/77/30/505767730.db2.gz CVIWOWHGNKHDEY-BBTUJRGHSA-N 1 3 355.526 3.085 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113612713 495321103 /nfs/dbraw/zinc/32/11/03/495321103.db2.gz FARQEZXSECGGBN-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113612713 495321107 /nfs/dbraw/zinc/32/11/07/495321107.db2.gz FARQEZXSECGGBN-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)[C@H](Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120282097 495342922 /nfs/dbraw/zinc/34/29/22/495342922.db2.gz HYXYWLJSAKWLFP-QFIPXVFZSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000124927256 495365282 /nfs/dbraw/zinc/36/52/82/495365282.db2.gz UDRBQWHEMAQHLP-LJQANCHMSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670547 495431357 /nfs/dbraw/zinc/43/13/57/495431357.db2.gz COHHZIMLAMQDDO-XMSQKQJNSA-N 1 3 359.558 3.227 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000130720626 495434953 /nfs/dbraw/zinc/43/49/53/495434953.db2.gz RGUTVCSTLYZBJI-OAQYLSRUSA-N 1 3 368.525 3.240 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000130720626 495434955 /nfs/dbraw/zinc/43/49/55/495434955.db2.gz RGUTVCSTLYZBJI-OAQYLSRUSA-N 1 3 368.525 3.240 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000137465118 495441376 /nfs/dbraw/zinc/44/13/76/495441376.db2.gz RIJVMZWNTDOBGM-UTKZUKDTSA-N 1 3 351.494 3.141 20 0 FGADHO CN(CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000137477993 495442924 /nfs/dbraw/zinc/44/29/24/495442924.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CN(CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000137477993 495442925 /nfs/dbraw/zinc/44/29/25/495442925.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657410 505785055 /nfs/dbraw/zinc/78/50/55/505785055.db2.gz LWYXBEULONCAIL-NUEKZKHPSA-N 1 3 352.320 3.135 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000131119724 495494569 /nfs/dbraw/zinc/49/45/69/495494569.db2.gz NKPNYJPQVVAQCX-IRLDBZIGSA-N 1 3 365.521 3.404 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125873355 495512028 /nfs/dbraw/zinc/51/20/28/495512028.db2.gz MBLDADWULYNRTO-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125922293 495519549 /nfs/dbraw/zinc/51/95/49/495519549.db2.gz ATXOWAFSTWXXDE-CXAGYDPISA-N 1 3 358.523 3.246 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612007 495521444 /nfs/dbraw/zinc/52/14/44/495521444.db2.gz AZDCSRDFZVTUMF-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO COC(=O)c1coc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179397318 495575613 /nfs/dbraw/zinc/57/56/13/495575613.db2.gz MAGRFPQOOZBQNC-UHFFFAOYSA-N 1 3 357.454 3.200 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000574516956 505790467 /nfs/dbraw/zinc/79/04/67/505790467.db2.gz LHUYMTVZFFPWRX-IRLDBZIGSA-N 1 3 372.557 3.372 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000158945629 495621969 /nfs/dbraw/zinc/62/19/69/495621969.db2.gz UHBOWKXNMUUFEF-CRAIPNDOSA-N 1 3 374.554 3.257 20 0 FGADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000154465971 495624588 /nfs/dbraw/zinc/62/45/88/495624588.db2.gz GRRIINVINIABOS-NRFANRHFSA-N 1 3 371.525 3.254 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481607 495630660 /nfs/dbraw/zinc/63/06/60/495630660.db2.gz ZFZWFTPRCDJPIW-MRXNPFEDSA-N 1 3 355.473 3.356 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719631 495695609 /nfs/dbraw/zinc/69/56/09/495695609.db2.gz CNXCTTLTEWITGR-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719631 495695615 /nfs/dbraw/zinc/69/56/15/495695615.db2.gz CNXCTTLTEWITGR-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719631 495695622 /nfs/dbraw/zinc/69/56/22/495695622.db2.gz CNXCTTLTEWITGR-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OCC ZINC000150999280 495706404 /nfs/dbraw/zinc/70/64/04/495706404.db2.gz XYWHKZOMQDSBJY-QGZVFWFLSA-N 1 3 363.546 3.161 20 0 FGADHO C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751416 495709895 /nfs/dbraw/zinc/70/98/95/495709895.db2.gz PWGWUPIOVBYTFS-LNLFQRSKSA-N 1 3 371.525 3.150 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)Cc1ccccc1 ZINC000173827831 495709871 /nfs/dbraw/zinc/70/98/71/495709871.db2.gz KCJBFWJDCRQLKO-NRSPTQNISA-N 1 3 374.573 3.064 20 0 FGADHO C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751416 495709900 /nfs/dbraw/zinc/70/99/00/495709900.db2.gz PWGWUPIOVBYTFS-LNLFQRSKSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000185751416 495709904 /nfs/dbraw/zinc/70/99/04/495709904.db2.gz PWGWUPIOVBYTFS-LNLFQRSKSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H]1C[C@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817814 495714727 /nfs/dbraw/zinc/71/47/27/495714727.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 1 3 352.906 3.458 20 0 FGADHO C[C@H]1C[C@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817814 495714730 /nfs/dbraw/zinc/71/47/30/495714730.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 1 3 352.906 3.458 20 0 FGADHO C[C@H]1C[C@@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817850 495714984 /nfs/dbraw/zinc/71/49/84/495714984.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 1 3 352.906 3.458 20 0 FGADHO C[C@H]1C[C@@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817850 495714988 /nfs/dbraw/zinc/71/49/88/495714988.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 1 3 352.906 3.458 20 0 FGADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000571743300 505803963 /nfs/dbraw/zinc/80/39/63/505803963.db2.gz BIKLWTGIHCMWDJ-UHFFFAOYSA-N 1 3 358.530 3.499 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118972 495866113 /nfs/dbraw/zinc/86/61/13/495866113.db2.gz BCYCNFKBXBEAFF-XXBNENTESA-N 1 3 367.537 3.400 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000174316193 495906961 /nfs/dbraw/zinc/90/69/61/495906961.db2.gz OCIUQOPRYIFGRP-WOJBJXKFSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(OCCN(C)C)cc1 ZINC000180390774 495977363 /nfs/dbraw/zinc/97/73/63/495977363.db2.gz AKMQINGVZWQFSG-OXQOHEQNSA-N 1 3 367.493 3.404 20 0 FGADHO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(OCCN(C)C)c1 ZINC000186475604 496011863 /nfs/dbraw/zinc/01/18/63/496011863.db2.gz CBNJQKKKACATKN-KRWDZBQOSA-N 1 3 366.509 3.407 20 0 FGADHO CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 ZINC000177314477 496015314 /nfs/dbraw/zinc/01/53/14/496015314.db2.gz OQPXACSZVQBBSK-UHFFFAOYSA-N 1 3 364.578 3.347 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@H](C)CCC[C@H]2C)CC1 ZINC000171741324 496015650 /nfs/dbraw/zinc/01/56/50/496015650.db2.gz DJOLOOVSUUEHJL-RTBURBONSA-N 1 3 357.542 3.339 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1OCC ZINC000155743260 496054092 /nfs/dbraw/zinc/05/40/92/496054092.db2.gz BJVWSGILPDQWRB-QZTJIDSGSA-N 1 3 363.546 3.161 20 0 FGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccccc1 ZINC000177478990 496078424 /nfs/dbraw/zinc/07/84/24/496078424.db2.gz FYCFYUXGNZDWCI-QZTJIDSGSA-N 1 3 372.557 3.036 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000177505366 496089648 /nfs/dbraw/zinc/08/96/48/496089648.db2.gz VPRDJXJYONIVOR-OALUTQOASA-N 1 3 373.541 3.227 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000177507543 496091146 /nfs/dbraw/zinc/09/11/46/496091146.db2.gz SQUPBNDXJDYLNM-MSOLQXFVSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000175010624 496205442 /nfs/dbraw/zinc/20/54/42/496205442.db2.gz UNPLYNKNDKULQO-MRXNPFEDSA-N 1 3 357.498 3.489 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000175010624 496205452 /nfs/dbraw/zinc/20/54/52/496205452.db2.gz UNPLYNKNDKULQO-MRXNPFEDSA-N 1 3 357.498 3.489 20 0 FGADHO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000180998820 496235964 /nfs/dbraw/zinc/23/59/64/496235964.db2.gz HTDREMNLVKHOOJ-IBGZPJMESA-N 1 3 367.537 3.397 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(OCCN(C)C)c1 ZINC000152760674 496248963 /nfs/dbraw/zinc/24/89/63/496248963.db2.gz KWLNVSUZIAMYFO-QGZVFWFLSA-N 1 3 356.514 3.053 20 0 FGADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000178220492 496374783 /nfs/dbraw/zinc/37/47/83/496374783.db2.gz YWBJKUIFGDVLFD-MRXNPFEDSA-N 1 3 352.482 3.101 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869562 496425610 /nfs/dbraw/zinc/42/56/10/496425610.db2.gz BDAAQIQEBIMBNE-JBYIUTFZSA-N 1 3 364.537 3.463 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000187481072 496460078 /nfs/dbraw/zinc/46/00/78/496460078.db2.gz ITRYATCGAQXHOH-NRFANRHFSA-N 1 3 374.573 3.315 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000172984298 496509753 /nfs/dbraw/zinc/50/97/53/496509753.db2.gz GCLFYEWWTCDHND-UHFFFAOYSA-N 1 3 371.569 3.091 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000175753365 496529154 /nfs/dbraw/zinc/52/91/54/496529154.db2.gz GEDGMDWCJUFRQP-SFHVURJKSA-N 1 3 372.557 3.213 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732240 496540174 /nfs/dbraw/zinc/54/01/74/496540174.db2.gz STWNRKNNTKHQDT-HXUWFJFHSA-N 1 3 358.530 3.055 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732240 496540175 /nfs/dbraw/zinc/54/01/75/496540175.db2.gz STWNRKNNTKHQDT-HXUWFJFHSA-N 1 3 358.530 3.055 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2)CC1 ZINC000569095513 505851329 /nfs/dbraw/zinc/85/13/29/505851329.db2.gz RNMQRLNQESPGCA-WIYYLYMNSA-N 1 3 354.494 3.242 20 0 FGADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953272 505853896 /nfs/dbraw/zinc/85/38/96/505853896.db2.gz OILQMCWWBMJPIC-HKUYNNGSSA-N 1 3 365.587 3.457 20 0 FGADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953272 505853899 /nfs/dbraw/zinc/85/38/99/505853899.db2.gz OILQMCWWBMJPIC-HKUYNNGSSA-N 1 3 365.587 3.457 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931222 496626971 /nfs/dbraw/zinc/62/69/71/496626971.db2.gz RTLXWWHRCSXNDI-WERVVEIQSA-N 1 3 359.558 3.205 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCC[C@@H](C)C2)CC1 ZINC000187987891 496641483 /nfs/dbraw/zinc/64/14/83/496641483.db2.gz AYZYWDBECNGYIG-GOSISDBHSA-N 1 3 357.542 3.198 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCC[C@H](C)C2)CC1 ZINC000187987861 496641700 /nfs/dbraw/zinc/64/17/00/496641700.db2.gz AYZYWDBECNGYIG-SFHVURJKSA-N 1 3 357.542 3.198 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176020073 496645172 /nfs/dbraw/zinc/64/51/72/496645172.db2.gz WTHUDEDGRHELRQ-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265679 496653559 /nfs/dbraw/zinc/65/35/59/496653559.db2.gz OGHMMTISYAEWKM-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000165265679 496653560 /nfs/dbraw/zinc/65/35/60/496653560.db2.gz OGHMMTISYAEWKM-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000580882056 505860258 /nfs/dbraw/zinc/86/02/58/505860258.db2.gz JAIOHGXTFFMBHQ-NHCUHLMSSA-N 1 3 368.525 3.355 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000580882056 505860262 /nfs/dbraw/zinc/86/02/62/505860262.db2.gz JAIOHGXTFFMBHQ-NHCUHLMSSA-N 1 3 368.525 3.355 20 0 FGADHO C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546706 496703202 /nfs/dbraw/zinc/70/32/02/496703202.db2.gz BQUKQVOTBIUDBL-OPYAIIAOSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000168954453 496713591 /nfs/dbraw/zinc/71/35/91/496713591.db2.gz DIEGWZOMONMNGQ-OAHLLOKOSA-N 1 3 374.356 3.034 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000185289569 496724794 /nfs/dbraw/zinc/72/47/94/496724794.db2.gz ZELPBXSHRCFGNV-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246959533 496736142 /nfs/dbraw/zinc/73/61/42/496736142.db2.gz HTDXBVAICWYVMR-KBPBESRZSA-N 1 3 353.894 3.058 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246959533 496736143 /nfs/dbraw/zinc/73/61/43/496736143.db2.gz HTDXBVAICWYVMR-KBPBESRZSA-N 1 3 353.894 3.058 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967437 496738331 /nfs/dbraw/zinc/73/83/31/496738331.db2.gz IYWOJRSXHVGZOV-WBVHZDCISA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967437 496738333 /nfs/dbraw/zinc/73/83/33/496738333.db2.gz IYWOJRSXHVGZOV-WBVHZDCISA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967437 496738338 /nfs/dbraw/zinc/73/83/38/496738338.db2.gz IYWOJRSXHVGZOV-WBVHZDCISA-N 1 3 351.922 3.008 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCN1CC ZINC000247000556 496748412 /nfs/dbraw/zinc/74/84/12/496748412.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 1 3 357.542 3.231 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCN1CC ZINC000247000556 496748413 /nfs/dbraw/zinc/74/84/13/496748413.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC2CCN(C)CC2)C1 ZINC000273254292 496754629 /nfs/dbraw/zinc/75/46/29/496754629.db2.gz WQPYKRMOAXUPLL-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2CCN(C)CC2)C1 ZINC000273254292 496754635 /nfs/dbraw/zinc/75/46/35/496754635.db2.gz WQPYKRMOAXUPLL-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO COc1ccc(OC)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000247051539 496762810 /nfs/dbraw/zinc/76/28/10/496762810.db2.gz OXAHTTPRAWSVII-IXDOHACOSA-N 1 3 350.503 3.244 20 0 FGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766350 /nfs/dbraw/zinc/76/63/50/496766350.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 1 3 358.574 3.250 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761646 496777307 /nfs/dbraw/zinc/77/73/07/496777307.db2.gz OEQFXZBODTVUJE-RBDMOPTHSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761646 496777309 /nfs/dbraw/zinc/77/73/09/496777309.db2.gz OEQFXZBODTVUJE-RBDMOPTHSA-N 1 3 354.494 3.371 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528177 496799283 /nfs/dbraw/zinc/79/92/83/496799283.db2.gz QSRWPCXIFNGTRU-QFIPXVFZSA-N 1 3 358.574 3.003 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528177 496799287 /nfs/dbraw/zinc/79/92/87/496799287.db2.gz QSRWPCXIFNGTRU-QFIPXVFZSA-N 1 3 358.574 3.003 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962066 496836376 /nfs/dbraw/zinc/83/63/76/496836376.db2.gz XOKKZMSTAPIUNA-MTNREXPMSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962066 496836382 /nfs/dbraw/zinc/83/63/82/496836382.db2.gz XOKKZMSTAPIUNA-MTNREXPMSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000268976391 496840213 /nfs/dbraw/zinc/84/02/13/496840213.db2.gz BSUNOSSQXKVJCB-UNWVZKJWSA-N 1 3 371.569 3.130 20 0 FGADHO CCN1CCN(CCCC[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803269 496913311 /nfs/dbraw/zinc/91/33/11/496913311.db2.gz VXIFXBVRGDOJMZ-GOSISDBHSA-N 1 3 365.537 3.020 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964220 496933209 /nfs/dbraw/zinc/93/32/09/496933209.db2.gz DKMMZSRHXKSLRP-VQTJNVASSA-N 1 3 358.530 3.043 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000248121910 496956555 /nfs/dbraw/zinc/95/65/55/496956555.db2.gz NMGCXNJJQZBSOI-SBHAEUEKSA-N 1 3 359.558 3.206 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269516796 496963310 /nfs/dbraw/zinc/96/33/10/496963310.db2.gz QNMQPFBRHRXJAI-FQEVSTJZSA-N 1 3 366.509 3.166 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402565 496996739 /nfs/dbraw/zinc/99/67/39/496996739.db2.gz NIOQFGQOFDNZPC-XUVXKRRUSA-N 1 3 357.542 3.039 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248409237 497000701 /nfs/dbraw/zinc/00/07/01/497000701.db2.gz FVVMZCTVRZRYIV-HZUHNNHMSA-N 1 3 366.553 3.468 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000189102195 497009345 /nfs/dbraw/zinc/00/93/45/497009345.db2.gz MHHKVMUNVLFNLY-UHFFFAOYSA-N 1 3 371.569 3.350 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435583 497010363 /nfs/dbraw/zinc/01/03/63/497010363.db2.gz FQTSRNKBWJZBKU-OXJNMPFZSA-N 1 3 370.493 3.121 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435583 497010366 /nfs/dbraw/zinc/01/03/66/497010366.db2.gz FQTSRNKBWJZBKU-OXJNMPFZSA-N 1 3 370.493 3.121 20 0 FGADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C2 ZINC000192441010 497115423 /nfs/dbraw/zinc/11/54/23/497115423.db2.gz IVECXFKZYVHSOC-IBGZPJMESA-N 1 3 354.494 3.283 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)CCN1Cc1ccccc1 ZINC000278471059 497126509 /nfs/dbraw/zinc/12/65/09/497126509.db2.gz JURMOCJZIAWDDK-KCZVDYSFSA-N 1 3 359.558 3.130 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236727771 497138200 /nfs/dbraw/zinc/13/82/00/497138200.db2.gz PTOIHTSQYYPNOL-IRXDYDNUSA-N 1 3 361.555 3.027 20 0 FGADHO CCC(CC)(CNC(=O)C[C@H]1CSCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000236845988 497155502 /nfs/dbraw/zinc/15/55/02/497155502.db2.gz VEXLHFLRMZYRJK-WMZOPIPTSA-N 1 3 363.571 3.107 20 0 FGADHO COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634187 497165954 /nfs/dbraw/zinc/16/59/54/497165954.db2.gz MYSUEQUOTKNSIJ-HTAPYJJXSA-N 1 3 372.509 3.410 20 0 FGADHO COc1ccc([C@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCCN2C)cc1 ZINC000237278892 497214372 /nfs/dbraw/zinc/21/43/72/497214372.db2.gz OEQJIHKOMZSZLC-NQIIRXRSSA-N 1 3 361.530 3.104 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237401374 497230738 /nfs/dbraw/zinc/23/07/38/497230738.db2.gz HKAAOGSQNLHJSW-ZWKOTPCHSA-N 1 3 357.542 3.354 20 0 FGADHO CC[C@](O)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000192959825 497260829 /nfs/dbraw/zinc/26/08/29/497260829.db2.gz LZXJBCKFYMRYPJ-FBVQUNGASA-N 1 3 367.331 3.262 20 0 FGADHO CC[C@](O)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000192959825 497260832 /nfs/dbraw/zinc/26/08/32/497260832.db2.gz LZXJBCKFYMRYPJ-FBVQUNGASA-N 1 3 367.331 3.262 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237727831 497283120 /nfs/dbraw/zinc/28/31/20/497283120.db2.gz PTKQTFLJJCRXLC-OAQYLSRUSA-N 1 3 351.494 3.166 20 0 FGADHO N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237809999 497294973 /nfs/dbraw/zinc/29/49/73/497294973.db2.gz TUAHBVOSKFSUAH-QFIPXVFZSA-N 1 3 365.521 3.249 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933488 497298113 /nfs/dbraw/zinc/29/81/13/497298113.db2.gz MRXJVAJNMIQLLX-OLZOCXBDSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933488 497298117 /nfs/dbraw/zinc/29/81/17/497298117.db2.gz MRXJVAJNMIQLLX-OLZOCXBDSA-N 1 3 358.395 3.443 20 0 FGADHO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000189933488 497298120 /nfs/dbraw/zinc/29/81/20/497298120.db2.gz MRXJVAJNMIQLLX-OLZOCXBDSA-N 1 3 358.395 3.443 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC2(C1)CCOCC2)C1CCN(C)CC1 ZINC000271242169 497301090 /nfs/dbraw/zinc/30/10/90/497301090.db2.gz ZCCVGUOMIOBKAD-UHFFFAOYSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC2(C1)CCOCC2)C1CCN(C)CC1 ZINC000271242169 497301093 /nfs/dbraw/zinc/30/10/93/497301093.db2.gz ZCCVGUOMIOBKAD-UHFFFAOYSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423330 497320705 /nfs/dbraw/zinc/32/07/05/497320705.db2.gz DRZUUWFXSGDAFR-AGOPTVSRSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423330 497320708 /nfs/dbraw/zinc/32/07/08/497320708.db2.gz DRZUUWFXSGDAFR-AGOPTVSRSA-N 1 3 368.525 3.283 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NC3CCN(C)CC3)c2)CC1 ZINC000271391005 497336686 /nfs/dbraw/zinc/33/66/86/497336686.db2.gz LLXXJGYENIXXDL-UHFFFAOYSA-N 1 3 358.530 3.177 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261772677 497447890 /nfs/dbraw/zinc/44/78/90/497447890.db2.gz RNWVQHSGWFXKJO-GOSISDBHSA-N 1 3 367.468 3.322 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261772677 497447895 /nfs/dbraw/zinc/44/78/95/497447895.db2.gz RNWVQHSGWFXKJO-GOSISDBHSA-N 1 3 367.468 3.322 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000245595742 497469109 /nfs/dbraw/zinc/46/91/09/497469109.db2.gz BTWJFCHXTIWBPA-IXDOHACOSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000245595742 497469114 /nfs/dbraw/zinc/46/91/14/497469114.db2.gz BTWJFCHXTIWBPA-IXDOHACOSA-N 1 3 364.559 3.009 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193775762 497477607 /nfs/dbraw/zinc/47/76/07/497477607.db2.gz AZPAOPZMVWVYHV-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193775762 497477609 /nfs/dbraw/zinc/47/76/09/497477609.db2.gz AZPAOPZMVWVYHV-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245657746 497490681 /nfs/dbraw/zinc/49/06/81/497490681.db2.gz CUDZEBFMOYYPBP-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CC1(C)CC(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923244 497520761 /nfs/dbraw/zinc/52/07/61/497520761.db2.gz LDFNDWMIYKZIIW-SFHVURJKSA-N 1 3 372.557 3.117 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262261727 497531329 /nfs/dbraw/zinc/53/13/29/497531329.db2.gz JLXOJAMMAFNCGQ-WPJATSFPSA-N 1 3 369.553 3.309 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262591937 497579167 /nfs/dbraw/zinc/57/91/67/497579167.db2.gz WJKMMWYQMJAHJV-RBBKRZOGSA-N 1 3 355.526 3.069 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000245983798 497589578 /nfs/dbraw/zinc/58/95/78/497589578.db2.gz HGQZOIDVSCZPMR-AZUAARDMSA-N 1 3 364.530 3.134 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000245983798 497589584 /nfs/dbraw/zinc/58/95/84/497589584.db2.gz HGQZOIDVSCZPMR-AZUAARDMSA-N 1 3 364.530 3.134 20 0 FGADHO N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262648971 497590998 /nfs/dbraw/zinc/59/09/98/497590998.db2.gz QBEJJCQIDOPYHF-JOCHJYFZSA-N 1 3 365.521 3.249 20 0 FGADHO COc1ccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)N2CCCC2)cc1 ZINC000262663184 497594145 /nfs/dbraw/zinc/59/41/45/497594145.db2.gz MIWFZJULMNCWDK-FQEVSTJZSA-N 1 3 373.541 3.248 20 0 FGADHO C[N@H+](Cc1ccccc1NC(=O)c1n[nH]c2c1CNCC2)C1CCCCC1 ZINC000262806226 497625302 /nfs/dbraw/zinc/62/53/02/497625302.db2.gz SHQUSKKECXVBPH-UHFFFAOYSA-N 1 3 367.497 3.072 20 0 FGADHO C[N@@H+](Cc1ccccc1NC(=O)c1n[nH]c2c1CNCC2)C1CCCCC1 ZINC000262806226 497625309 /nfs/dbraw/zinc/62/53/09/497625309.db2.gz SHQUSKKECXVBPH-UHFFFAOYSA-N 1 3 367.497 3.072 20 0 FGADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000262853607 497637431 /nfs/dbraw/zinc/63/74/31/497637431.db2.gz KJDGWCYHNYJRJL-GOSISDBHSA-N 1 3 352.482 3.221 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246193198 497655552 /nfs/dbraw/zinc/65/55/52/497655552.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 1 3 360.546 3.008 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246193198 497655556 /nfs/dbraw/zinc/65/55/56/497655556.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 1 3 360.546 3.008 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272672769 497697825 /nfs/dbraw/zinc/69/78/25/497697825.db2.gz PYJKHURBSPSPKH-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CC[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000194563408 497705466 /nfs/dbraw/zinc/70/54/66/497705466.db2.gz UJIZPONLRNLIBJ-GOSISDBHSA-N 1 3 353.510 3.261 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719559 /nfs/dbraw/zinc/71/95/59/497719559.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719564 /nfs/dbraw/zinc/71/95/64/497719564.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000246421393 497729123 /nfs/dbraw/zinc/72/91/23/497729123.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 1 3 372.509 3.142 20 0 FGADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000246421393 497729131 /nfs/dbraw/zinc/72/91/31/497729131.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 1 3 372.509 3.142 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246608033 497788047 /nfs/dbraw/zinc/78/80/47/497788047.db2.gz WPDHAAVPTKDPCJ-NSHGMRRFSA-N 1 3 360.546 3.069 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246608033 497788048 /nfs/dbraw/zinc/78/80/48/497788048.db2.gz WPDHAAVPTKDPCJ-NSHGMRRFSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000246750996 497808008 /nfs/dbraw/zinc/80/80/08/497808008.db2.gz ZVZSKLIPLNJNEK-DWLFOUALSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000246750996 497808010 /nfs/dbraw/zinc/80/80/10/497808010.db2.gz ZVZSKLIPLNJNEK-DWLFOUALSA-N 1 3 365.521 3.303 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836882 497815187 /nfs/dbraw/zinc/81/51/87/497815187.db2.gz BZZWEQSMSGWWDU-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836882 497815189 /nfs/dbraw/zinc/81/51/89/497815189.db2.gz BZZWEQSMSGWWDU-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836882 497815190 /nfs/dbraw/zinc/81/51/90/497815190.db2.gz BZZWEQSMSGWWDU-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340093 505965398 /nfs/dbraw/zinc/96/53/98/505965398.db2.gz DOUBVKZKGPCQPH-FDFHNCONSA-N 1 3 352.526 3.243 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccccc1Br)C2 ZINC000285527591 498116837 /nfs/dbraw/zinc/11/68/37/498116837.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 1 3 353.304 3.040 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccccc1Br)C2 ZINC000285527591 498116841 /nfs/dbraw/zinc/11/68/41/498116841.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 1 3 353.304 3.040 20 0 FGADHO CCCN1CCN(C2CC[NH+](CC3(CCOC)CCCCC3)CC2)CC1 ZINC000364855035 498176113 /nfs/dbraw/zinc/17/61/13/498176113.db2.gz QBJICKZTIPTIFW-UHFFFAOYSA-N 1 3 365.606 3.465 20 0 FGADHO OCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000285924222 498241807 /nfs/dbraw/zinc/24/18/07/498241807.db2.gz CNVJNMODKIDQND-YPAWHYETSA-N 1 3 372.553 3.056 20 0 FGADHO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000302051382 498385761 /nfs/dbraw/zinc/38/57/61/498385761.db2.gz OUHGVIOABARISZ-GOSISDBHSA-N 1 3 352.526 3.322 20 0 FGADHO CC(=O)NC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000290253951 498484350 /nfs/dbraw/zinc/48/43/50/498484350.db2.gz ULKDFTBRSKFNIZ-ITAUSPCMSA-N 1 3 357.542 3.326 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681333 506043782 /nfs/dbraw/zinc/04/37/82/506043782.db2.gz KSKPQHNIMRYIBG-VSKRKVRLSA-N 1 3 372.553 3.320 20 0 FGADHO CCn1ccnc1[C@@H](C)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000297682745 498535407 /nfs/dbraw/zinc/53/54/07/498535407.db2.gz LNKRUZTXDKOKKB-QGZVFWFLSA-N 1 3 356.514 3.474 20 0 FGADHO Cc1ccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCC2)o1 ZINC000297702739 498541781 /nfs/dbraw/zinc/54/17/81/498541781.db2.gz QOYWGRABZMSLRM-FQEVSTJZSA-N 1 3 354.498 3.379 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293947213 498542115 /nfs/dbraw/zinc/54/21/15/498542115.db2.gz ZAWXGWXGGCHMLF-CQSZACIVSA-N 1 3 372.376 3.114 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4c3cccc4F)CC2)CC1 ZINC000569940456 506052892 /nfs/dbraw/zinc/05/28/92/506052892.db2.gz ZIRTVZPIDBZVOG-NRFANRHFSA-N 1 3 373.516 3.126 20 0 FGADHO C[C@H](O)c1ncc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)s1 ZINC000290519729 498583319 /nfs/dbraw/zinc/58/33/19/498583319.db2.gz XMSGLBUSGOQDDP-OAGGEKHMSA-N 1 3 359.539 3.443 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000576043166 506062661 /nfs/dbraw/zinc/06/26/61/506062661.db2.gz DWTHYWGFKVJLFZ-PMXSJFBMSA-N 1 3 357.542 3.311 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c(C)c1OC ZINC000287072018 498617063 /nfs/dbraw/zinc/61/70/63/498617063.db2.gz VTRGBOSAWVVRFI-SFHVURJKSA-N 1 3 363.546 3.079 20 0 FGADHO Cc1cc(F)ccc1[C@@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000363122269 498661634 /nfs/dbraw/zinc/66/16/34/498661634.db2.gz MLJNKBRMXIQQQV-QFIPXVFZSA-N 1 3 371.500 3.201 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868542 506071233 /nfs/dbraw/zinc/07/12/33/506071233.db2.gz FZDPZORWSNBGCA-GWCFXTLKSA-N 1 3 350.816 3.273 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868542 506071234 /nfs/dbraw/zinc/07/12/34/506071234.db2.gz FZDPZORWSNBGCA-GWCFXTLKSA-N 1 3 350.816 3.273 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294372795 498673362 /nfs/dbraw/zinc/67/33/62/498673362.db2.gz ZMVSKVNXFJRTIY-NRFANRHFSA-N 1 3 355.482 3.052 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294372795 498673365 /nfs/dbraw/zinc/67/33/65/498673365.db2.gz ZMVSKVNXFJRTIY-NRFANRHFSA-N 1 3 355.482 3.052 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000570027185 506072321 /nfs/dbraw/zinc/07/23/21/506072321.db2.gz BGYMTXGAAPAUDX-UHFFFAOYSA-N 1 3 370.541 3.452 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000570027185 506072324 /nfs/dbraw/zinc/07/23/24/506072324.db2.gz BGYMTXGAAPAUDX-UHFFFAOYSA-N 1 3 370.541 3.452 20 0 FGADHO O=C1CCCN1C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298269829 498717044 /nfs/dbraw/zinc/71/70/44/498717044.db2.gz GICHRXQNTCBMPK-OAQYLSRUSA-N 1 3 364.493 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000303987672 498733765 /nfs/dbraw/zinc/73/37/65/498733765.db2.gz LYOSIEWEFOKDMI-PMACEKPBSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000303987672 498733771 /nfs/dbraw/zinc/73/37/71/498733771.db2.gz LYOSIEWEFOKDMI-PMACEKPBSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000303987672 498733778 /nfs/dbraw/zinc/73/37/78/498733778.db2.gz LYOSIEWEFOKDMI-PMACEKPBSA-N 1 3 357.498 3.004 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294666980 498766655 /nfs/dbraw/zinc/76/66/55/498766655.db2.gz HNNFFPMPSBSXMF-PCCBWWKXSA-N 1 3 374.525 3.282 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000363392075 498796494 /nfs/dbraw/zinc/79/64/94/498796494.db2.gz CLCHHAKIKDRSCV-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209438 498824443 /nfs/dbraw/zinc/82/44/43/498824443.db2.gz KDAILCGKBBPRQE-RCCFBDPRSA-N 1 3 357.498 3.158 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209438 498824448 /nfs/dbraw/zinc/82/44/48/498824448.db2.gz KDAILCGKBBPRQE-RCCFBDPRSA-N 1 3 357.498 3.158 20 0 FGADHO Cn1c2ccc(CNC[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275131 498853345 /nfs/dbraw/zinc/85/33/45/498853345.db2.gz ARPZSJMBIVNUHC-KSSFIOAISA-N 1 3 373.547 3.444 20 0 FGADHO Cn1c2ccc(CNC[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275131 498853346 /nfs/dbraw/zinc/85/33/46/498853346.db2.gz ARPZSJMBIVNUHC-KSSFIOAISA-N 1 3 373.547 3.444 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940906 /nfs/dbraw/zinc/94/09/06/498940906.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 1 3 355.526 3.191 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940908 /nfs/dbraw/zinc/94/09/08/498940908.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 1 3 355.526 3.191 20 0 FGADHO Cc1cc2c(cc1C)[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000333251618 498953027 /nfs/dbraw/zinc/95/30/27/498953027.db2.gz GWSXBPACGINZFU-UEXGIBASSA-N 1 3 373.566 3.077 20 0 FGADHO CC1CCN([C@@H](CNC(=O)c2ccccc2CC[NH3+])c2cccs2)CC1 ZINC000573102617 506119411 /nfs/dbraw/zinc/11/94/11/506119411.db2.gz ZNSAMSLQDDXJHW-IBGZPJMESA-N 1 3 371.550 3.452 20 0 FGADHO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000299149520 498979117 /nfs/dbraw/zinc/97/91/17/498979117.db2.gz YRHTZJJJHSWRLS-IXDOHACOSA-N 1 3 358.530 3.393 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000288365011 499004655 /nfs/dbraw/zinc/00/46/55/499004655.db2.gz KXHDZZBNJCLAJM-CVEARBPZSA-N 1 3 355.482 3.193 20 0 FGADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000288365015 499005194 /nfs/dbraw/zinc/00/51/94/499005194.db2.gz KXHDZZBNJCLAJM-HOTGVXAUSA-N 1 3 355.482 3.193 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000366757228 499061796 /nfs/dbraw/zinc/06/17/96/499061796.db2.gz RKEASVYUPPGHLN-MOPGFXCFSA-N 1 3 356.514 3.177 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302153 499085223 /nfs/dbraw/zinc/08/52/23/499085223.db2.gz ZFOJZJKTNZAFQD-QHCPKHFHSA-N 1 3 371.569 3.228 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302153 499085226 /nfs/dbraw/zinc/08/52/26/499085226.db2.gz ZFOJZJKTNZAFQD-QHCPKHFHSA-N 1 3 371.569 3.228 20 0 FGADHO CCc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000367059948 499141815 /nfs/dbraw/zinc/14/18/15/499141815.db2.gz MQGVCHRUUFRDKU-DYESRHJHSA-N 1 3 352.526 3.259 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000369941285 499155122 /nfs/dbraw/zinc/15/51/22/499155122.db2.gz CVQPGOSFOFPHBZ-FQEVSTJZSA-N 1 3 366.509 3.026 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000570296425 506136256 /nfs/dbraw/zinc/13/62/56/506136256.db2.gz LLHNSZVPBDUIEH-NRFANRHFSA-N 1 3 358.526 3.456 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300074 499207093 /nfs/dbraw/zinc/20/70/93/499207093.db2.gz HYGAPDSBOFXYBV-ZOBUZTSGSA-N 1 3 366.575 3.016 20 0 FGADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775630 499253394 /nfs/dbraw/zinc/25/33/94/499253394.db2.gz WYENJKFOSKOQHC-YJBOKZPZSA-N 1 3 371.447 3.204 20 0 FGADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000368212645 499274563 /nfs/dbraw/zinc/27/45/63/499274563.db2.gz PHBBSWLIHGPGIX-PCCBWWKXSA-N 1 3 374.525 3.266 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514896 499336613 /nfs/dbraw/zinc/33/66/13/499336613.db2.gz QTEMSFAKMBODGT-LRQRDZAKSA-N 1 3 362.481 3.006 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514896 499336614 /nfs/dbraw/zinc/33/66/14/499336614.db2.gz QTEMSFAKMBODGT-LRQRDZAKSA-N 1 3 362.481 3.006 20 0 FGADHO Cc1oc(-c2ccccc2)nc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369607 499425515 /nfs/dbraw/zinc/42/55/15/499425515.db2.gz NBLBGJCLAPJHJL-FQEVSTJZSA-N 1 3 368.525 3.250 20 0 FGADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424839 499433320 /nfs/dbraw/zinc/43/33/20/499433320.db2.gz IMVIRSMFJMGYQC-NHCUHLMSSA-N 1 3 361.574 3.364 20 0 FGADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424841 499433380 /nfs/dbraw/zinc/43/33/80/499433380.db2.gz IMVIRSMFJMGYQC-SFTDATJTSA-N 1 3 361.574 3.364 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000369766949 499441734 /nfs/dbraw/zinc/44/17/34/499441734.db2.gz PACVCTHEXWMSEQ-IRLDBZIGSA-N 1 3 359.558 3.030 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614914 499537700 /nfs/dbraw/zinc/53/77/00/499537700.db2.gz FQIYGMWCFFYTPK-SNHGZMDHSA-N 1 3 359.514 3.185 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614914 499537701 /nfs/dbraw/zinc/53/77/01/499537701.db2.gz FQIYGMWCFFYTPK-SNHGZMDHSA-N 1 3 359.514 3.185 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676785 499542940 /nfs/dbraw/zinc/54/29/40/499542940.db2.gz AWNBERMDCQDTBD-DUXKGJEZSA-N 1 3 357.542 3.453 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676785 499542941 /nfs/dbraw/zinc/54/29/41/499542941.db2.gz AWNBERMDCQDTBD-DUXKGJEZSA-N 1 3 357.542 3.453 20 0 FGADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COc1ccccc1 ZINC000380852675 499544105 /nfs/dbraw/zinc/54/41/05/499544105.db2.gz CNDHNLOOIKWDFU-FCHUYYIVSA-N 1 3 368.521 3.318 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382765296 499546189 /nfs/dbraw/zinc/54/61/89/499546189.db2.gz RSCHOORJDWIVSN-IBGZPJMESA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732934 499546218 /nfs/dbraw/zinc/54/62/18/499546218.db2.gz DAHIGKXNTKNVRO-SFHLNBCPSA-N 1 3 357.542 3.135 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330963 499550713 /nfs/dbraw/zinc/55/07/13/499550713.db2.gz RNEFQWAQLJCCAR-QUCCMNQESA-N 1 3 374.912 3.191 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330963 499550715 /nfs/dbraw/zinc/55/07/15/499550715.db2.gz RNEFQWAQLJCCAR-QUCCMNQESA-N 1 3 374.912 3.191 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000375814142 499558331 /nfs/dbraw/zinc/55/83/31/499558331.db2.gz KUOXUVPYUQDBLO-MAUKXSAKSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000375814142 499558332 /nfs/dbraw/zinc/55/83/32/499558332.db2.gz KUOXUVPYUQDBLO-MAUKXSAKSA-N 1 3 371.447 3.043 20 0 FGADHO OC1(C[NH2+][C@@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)CC1 ZINC000397498591 499564349 /nfs/dbraw/zinc/56/43/49/499564349.db2.gz SWKFNAOUPMHVNE-OAQYLSRUSA-N 1 3 354.469 3.430 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000376413750 499606973 /nfs/dbraw/zinc/60/69/73/499606973.db2.gz XAMAVJHFSKMBIE-UHFFFAOYSA-N 1 3 358.526 3.225 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000376674148 499627723 /nfs/dbraw/zinc/62/77/23/499627723.db2.gz UFWZSYMRXVROPO-DOTOQJQBSA-N 1 3 369.475 3.395 20 0 FGADHO CCN(CC)CCN(CCC(F)(F)F)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000377057546 499657652 /nfs/dbraw/zinc/65/76/52/499657652.db2.gz QYTWEFDTWKUIEG-SJORKVTESA-N 1 3 364.500 3.056 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000377336616 499681093 /nfs/dbraw/zinc/68/10/93/499681093.db2.gz KUDZPQOCWJCHKN-KRWDZBQOSA-N 1 3 356.466 3.021 20 0 FGADHO COC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000377741913 499727198 /nfs/dbraw/zinc/72/71/98/499727198.db2.gz XDNQMJAOJYITLK-IRLDBZIGSA-N 1 3 360.542 3.320 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc3ccccc32)CC1 ZINC000411435466 499739932 /nfs/dbraw/zinc/73/99/32/499739932.db2.gz DBYAAOWTBWPBEY-QGZVFWFLSA-N 1 3 353.510 3.479 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 ZINC000411476185 499745502 /nfs/dbraw/zinc/74/55/02/499745502.db2.gz GNBUVXYDGPGUSX-HEFCMCLBSA-N 1 3 363.933 3.227 20 0 FGADHO CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558929 499763124 /nfs/dbraw/zinc/76/31/24/499763124.db2.gz MQCOVKUEJSLFRX-SFTDATJTSA-N 1 3 374.525 3.215 20 0 FGADHO CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561809 499763440 /nfs/dbraw/zinc/76/34/40/499763440.db2.gz RNAQQPVIHMLLDL-SFTDATJTSA-N 1 3 374.525 3.215 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000414344408 499779666 /nfs/dbraw/zinc/77/96/66/499779666.db2.gz RLRIYMYKCUNGBK-LZJOCLMNSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)=CCC[C@H](C)CC[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414480789 499797548 /nfs/dbraw/zinc/79/75/48/499797548.db2.gz JVHHBZUHXBVLTE-FQEVSTJZSA-N 1 3 351.579 3.145 20 0 FGADHO Cc1sccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549424 499806730 /nfs/dbraw/zinc/80/67/30/499806730.db2.gz AIVZTDOFMNMPDV-UHFFFAOYSA-N 1 3 357.523 3.044 20 0 FGADHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553136 499807685 /nfs/dbraw/zinc/80/76/85/499807685.db2.gz HXPONOWKQLMZFZ-UWJYYQICSA-N 1 3 369.553 3.466 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412039166 499815829 /nfs/dbraw/zinc/81/58/29/499815829.db2.gz PSMIXSWFBIWWRI-FQEVSTJZSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412039166 499815830 /nfs/dbraw/zinc/81/58/30/499815830.db2.gz PSMIXSWFBIWWRI-FQEVSTJZSA-N 1 3 355.526 3.419 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714845 499822172 /nfs/dbraw/zinc/82/21/72/499822172.db2.gz VYWYIVUEWAKVJA-RTWAWAEBSA-N 1 3 357.542 3.061 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714845 499822173 /nfs/dbraw/zinc/82/21/73/499822173.db2.gz VYWYIVUEWAKVJA-RTWAWAEBSA-N 1 3 357.542 3.061 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000414754430 499826722 /nfs/dbraw/zinc/82/67/22/499826722.db2.gz XXMMPAPBYFBDBN-SFHVURJKSA-N 1 3 365.521 3.217 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000414786038 499830985 /nfs/dbraw/zinc/83/09/85/499830985.db2.gz WGRPGZIZPBGBEY-SNVBAGLBSA-N 1 3 363.811 3.418 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CCNCC1 ZINC000414786038 499830986 /nfs/dbraw/zinc/83/09/86/499830986.db2.gz WGRPGZIZPBGBEY-SNVBAGLBSA-N 1 3 363.811 3.418 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414797211 499832271 /nfs/dbraw/zinc/83/22/71/499832271.db2.gz IHHULTKWXORASK-UWWQBHOKSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414797211 499832273 /nfs/dbraw/zinc/83/22/73/499832273.db2.gz IHHULTKWXORASK-UWWQBHOKSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414802039 499832956 /nfs/dbraw/zinc/83/29/56/499832956.db2.gz AYSRAWYJHPBARG-CQSZACIVSA-N 1 3 364.449 3.157 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCC[C@H](C)[NH3+] ZINC000414817305 499834001 /nfs/dbraw/zinc/83/40/01/499834001.db2.gz ANFBWZKQLKCCAW-VHSXEESVSA-N 1 3 351.800 3.403 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414831383 499835250 /nfs/dbraw/zinc/83/52/50/499835250.db2.gz DBUSLFFVEKMYFY-MAUKXSAKSA-N 1 3 352.906 3.377 20 0 FGADHO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(CN3CCCCC3)c1)CC2 ZINC000412229354 499836382 /nfs/dbraw/zinc/83/63/82/499836382.db2.gz MMXFVVSZKFKTRJ-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C[N@H+]1CCCC12CCN(C(=O)c1cccc(CN3CCCCC3)c1)CC2 ZINC000412229354 499836383 /nfs/dbraw/zinc/83/63/83/499836383.db2.gz MMXFVVSZKFKTRJ-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414847723 499837252 /nfs/dbraw/zinc/83/72/52/499837252.db2.gz GAIPGPYSXFGCSE-HZSPNIEDSA-N 1 3 368.319 3.144 20 0 FGADHO C[C@H]1C[C@H]([NH2+]CCCNCc2cccnc2)CCN1Cc1ccccc1 ZINC000414882921 499841010 /nfs/dbraw/zinc/84/10/10/499841010.db2.gz SNTZURXPEWJGKC-SIKLNZKXSA-N 1 3 352.526 3.204 20 0 FGADHO Fc1cccc(F)c1-c1n[nH]cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414885029 499841354 /nfs/dbraw/zinc/84/13/54/499841354.db2.gz VBNLJRYUPFIANU-UHFFFAOYSA-N 1 3 357.408 3.019 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123102 499866586 /nfs/dbraw/zinc/86/65/86/499866586.db2.gz KXOACJSQZCTBSJ-WMZOPIPTSA-N 1 3 354.441 3.049 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000415123252 499866608 /nfs/dbraw/zinc/86/66/08/499866608.db2.gz PJTOUZFMWJMJQP-HOJAQTOUSA-N 1 3 372.557 3.107 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123570 499866752 /nfs/dbraw/zinc/86/67/52/499866752.db2.gz LGBXXHJWGRFFPY-WMZOPIPTSA-N 1 3 372.431 3.346 20 0 FGADHO CCN(CC)Cc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000415466092 499894888 /nfs/dbraw/zinc/89/48/88/499894888.db2.gz QLKXZNHZORQNSE-OAHLLOKOSA-N 1 3 368.481 3.125 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000415899134 499925947 /nfs/dbraw/zinc/92/59/47/499925947.db2.gz JATZQHMUTHAVDL-QFBILLFUSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415903794 499926453 /nfs/dbraw/zinc/92/64/53/499926453.db2.gz QRERYCVKIVAPEW-IBGZPJMESA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910071 499927434 /nfs/dbraw/zinc/92/74/34/499927434.db2.gz AVNFCQBLWZYJSI-LAUBAEHRSA-N 1 3 366.509 3.438 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000415945155 499931864 /nfs/dbraw/zinc/93/18/64/499931864.db2.gz QXOIAXFIROCUIA-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949489 499932538 /nfs/dbraw/zinc/93/25/38/499932538.db2.gz BZMVJRYYFNALIX-ZDUSSCGKSA-N 1 3 372.435 3.264 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949489 499932540 /nfs/dbraw/zinc/93/25/40/499932540.db2.gz BZMVJRYYFNALIX-ZDUSSCGKSA-N 1 3 372.435 3.264 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000415972545 499935492 /nfs/dbraw/zinc/93/54/92/499935492.db2.gz MVYCMZSSGIKDPY-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977785 499936511 /nfs/dbraw/zinc/93/65/11/499936511.db2.gz YRNRNGCKNNAFER-LAUBAEHRSA-N 1 3 366.509 3.438 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000417066820 499962172 /nfs/dbraw/zinc/96/21/72/499962172.db2.gz MBKZVVNSRAXJSF-NRFANRHFSA-N 1 3 368.525 3.371 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241031 499991664 /nfs/dbraw/zinc/99/16/64/499991664.db2.gz KRNRBDOSWXTYCP-NHCUHLMSSA-N 1 3 369.509 3.107 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220961 500009101 /nfs/dbraw/zinc/00/91/01/500009101.db2.gz ZHJPTJMFERSJJE-RTWAWAEBSA-N 1 3 372.557 3.291 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000421373013 500031020 /nfs/dbraw/zinc/03/10/20/500031020.db2.gz LWVRRLDNUNCDNB-UHFFFAOYSA-N 1 3 373.570 3.130 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)N(C)C)cc1 ZINC000417310924 500036497 /nfs/dbraw/zinc/03/64/97/500036497.db2.gz KYZQEIIPDFMWCT-UXHICEINSA-N 1 3 372.557 3.017 20 0 FGADHO CC[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000413858065 500078367 /nfs/dbraw/zinc/07/83/67/500078367.db2.gz LXWAECBHNBRJFZ-NHCUHLMSSA-N 1 3 371.569 3.476 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CC3(OC)CCC3)cc2)CC1 ZINC000429522936 500092633 /nfs/dbraw/zinc/09/26/33/500092633.db2.gz QQGTYAODMXISFH-IBGZPJMESA-N 1 3 359.558 3.261 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400050 500094876 /nfs/dbraw/zinc/09/48/76/500094876.db2.gz XHJTXRJPSNOKFB-HXUWFJFHSA-N 1 3 357.542 3.230 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400050 500094879 /nfs/dbraw/zinc/09/48/79/500094879.db2.gz XHJTXRJPSNOKFB-HXUWFJFHSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842044 500135563 /nfs/dbraw/zinc/13/55/63/500135563.db2.gz MOGJXAOBYJZFHI-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849254 500137935 /nfs/dbraw/zinc/13/79/35/500137935.db2.gz XRABOTVTYAYCIL-SFTDATJTSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416873291 500144382 /nfs/dbraw/zinc/14/43/82/500144382.db2.gz NBRHPNOYUKWATB-OAQYLSRUSA-N 1 3 368.525 3.261 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824628 500160263 /nfs/dbraw/zinc/16/02/63/500160263.db2.gz JOYMULRYNQAXQV-HRAATJIYSA-N 1 3 363.521 3.149 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842370 500162770 /nfs/dbraw/zinc/16/27/70/500162770.db2.gz KVBNPGIQIBOOAE-PWRODBHTSA-N 1 3 362.489 3.253 20 0 FGADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416963980 500167591 /nfs/dbraw/zinc/16/75/91/500167591.db2.gz RURIQCCUYPBWMY-KKSFZXQISA-N 1 3 366.509 3.046 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccsc1 ZINC000417004760 500182249 /nfs/dbraw/zinc/18/22/49/500182249.db2.gz HXXKUNNREPAGQF-GOSISDBHSA-N 1 3 366.575 3.162 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000422004623 500195676 /nfs/dbraw/zinc/19/56/76/500195676.db2.gz GZYVRDHUXBBXID-QHGAOEGBSA-N 1 3 361.505 3.027 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997873 500211828 /nfs/dbraw/zinc/21/18/28/500211828.db2.gz GMWMLGFKXSBNMT-UWJYYQICSA-N 1 3 368.525 3.403 20 0 FGADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950064 500215790 /nfs/dbraw/zinc/21/57/90/500215790.db2.gz IRIVXZBTDZGXCO-BHIFYINESA-N 1 3 372.553 3.320 20 0 FGADHO CC1(C)C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071386 500225344 /nfs/dbraw/zinc/22/53/44/500225344.db2.gz WGGBRVSTPMUMQP-UXHICEINSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071386 500225346 /nfs/dbraw/zinc/22/53/46/500225346.db2.gz WGGBRVSTPMUMQP-UXHICEINSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071386 500225349 /nfs/dbraw/zinc/22/53/49/500225349.db2.gz WGGBRVSTPMUMQP-UXHICEINSA-N 1 3 358.526 3.072 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000579473134 506183556 /nfs/dbraw/zinc/18/35/56/506183556.db2.gz HXGQSMOLTRKODF-FCEWJHQRSA-N 1 3 364.917 3.329 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163603 500240270 /nfs/dbraw/zinc/24/02/70/500240270.db2.gz DRMJMVYGZVQVAT-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164487 500240298 /nfs/dbraw/zinc/24/02/98/500240298.db2.gz WYVVDSXGJOPBNS-MISYRCLQSA-N 1 3 372.557 3.056 20 0 FGADHO CCCN(C(=O)NCCN1CCC2(CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000418168112 500240805 /nfs/dbraw/zinc/24/08/05/500240805.db2.gz KSLDDGPHENEAGH-UHFFFAOYSA-N 1 3 364.578 3.206 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175461 500243041 /nfs/dbraw/zinc/24/30/41/500243041.db2.gz FWXHRCWCAMTOOZ-QAPCUYQASA-N 1 3 366.937 3.022 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000418188933 500245928 /nfs/dbraw/zinc/24/59/28/500245928.db2.gz UYIAZZAJSVDYKA-YRNRMSPPSA-N 1 3 354.498 3.197 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192426 500246935 /nfs/dbraw/zinc/24/69/35/500246935.db2.gz YRBXTEAUXYKWML-ZTFGCOKTSA-N 1 3 366.937 3.102 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418229262 500253331 /nfs/dbraw/zinc/25/33/31/500253331.db2.gz GONHFGFABQHDKQ-ROUUACIJSA-N 1 3 366.575 3.026 20 0 FGADHO NC[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)c1ccc2ccccc2c1 ZINC000418290099 500259499 /nfs/dbraw/zinc/25/94/99/500259499.db2.gz ZMEQRJUYPSRSET-LJQANCHMSA-N 1 3 354.498 3.191 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298929 500260197 /nfs/dbraw/zinc/26/01/97/500260197.db2.gz RBAFAVMKPVIZPG-QUCCMNQESA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311197 500260440 /nfs/dbraw/zinc/26/04/40/500260440.db2.gz LMRCANDHKNZKRF-YXYSEUPNSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1nc2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2s1 ZINC000426422820 500271165 /nfs/dbraw/zinc/27/11/65/500271165.db2.gz YCCSFSBOQXDYSX-BEFAXECRSA-N 1 3 358.555 3.063 20 0 FGADHO Cc1nc2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2s1 ZINC000426422820 500271168 /nfs/dbraw/zinc/27/11/68/500271168.db2.gz YCCSFSBOQXDYSX-BEFAXECRSA-N 1 3 358.555 3.063 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1)CC(C)C ZINC000418426053 500274602 /nfs/dbraw/zinc/27/46/02/500274602.db2.gz JEBNXMZHGKQUTN-NRFANRHFSA-N 1 3 374.573 3.476 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1)CC(C)C ZINC000418426053 500274604 /nfs/dbraw/zinc/27/46/04/500274604.db2.gz JEBNXMZHGKQUTN-NRFANRHFSA-N 1 3 374.573 3.476 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000418461002 500279689 /nfs/dbraw/zinc/27/96/89/500279689.db2.gz LGDIIJMCYZHYAW-INIZCTEOSA-N 1 3 372.488 3.119 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000422608951 500281357 /nfs/dbraw/zinc/28/13/57/500281357.db2.gz NLNVIGFKVQJWSQ-MHJFOBGBSA-N 1 3 354.498 3.012 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482516 500282125 /nfs/dbraw/zinc/28/21/25/500282125.db2.gz FBTWXGLEMKFHDN-NDXORKPFSA-N 1 3 368.525 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482516 500282127 /nfs/dbraw/zinc/28/21/27/500282127.db2.gz FBTWXGLEMKFHDN-NDXORKPFSA-N 1 3 368.525 3.354 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418501815 500284888 /nfs/dbraw/zinc/28/48/88/500284888.db2.gz SRTGBGXYAJSZNY-HXUWFJFHSA-N 1 3 354.498 3.012 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCCN1 ZINC000422701812 500287158 /nfs/dbraw/zinc/28/71/58/500287158.db2.gz CPHKCXGHOHIXFJ-FMKPAKJESA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418519286 500287288 /nfs/dbraw/zinc/28/72/88/500287288.db2.gz GGTDJANHPVXFKH-YLJYHZDGSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714543 500288773 /nfs/dbraw/zinc/28/87/73/500288773.db2.gz LAFLKYSAWTVPAZ-LLBVYWAGSA-N 1 3 363.505 3.283 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722291 500290224 /nfs/dbraw/zinc/29/02/24/500290224.db2.gz PBYKBBVLFSBXBP-XJKSGUPXSA-N 1 3 352.404 3.369 20 0 FGADHO CSc1nnc(CCCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727318 500290809 /nfs/dbraw/zinc/29/08/09/500290809.db2.gz HCTPAYBFMLRYDF-IRXDYDNUSA-N 1 3 367.607 3.489 20 0 FGADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418554938 500290806 /nfs/dbraw/zinc/29/08/06/500290806.db2.gz NHPZVGDYWULHDG-IBGZPJMESA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731254 500291872 /nfs/dbraw/zinc/29/18/72/500291872.db2.gz GPUFHYGOINUUSX-RRQGHBQHSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(Br)cc2)CCC1 ZINC000422731254 500291876 /nfs/dbraw/zinc/29/18/76/500291876.db2.gz GPUFHYGOINUUSX-RRQGHBQHSA-N 1 3 367.331 3.213 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418572566 500292778 /nfs/dbraw/zinc/29/27/78/500292778.db2.gz FEGSKFVZWHYETN-UHFFFAOYSA-N 1 3 372.557 3.332 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753265 500294683 /nfs/dbraw/zinc/29/46/83/500294683.db2.gz IGJJOOCVXCCQFR-TUNNFDKTSA-N 1 3 351.494 3.135 20 0 FGADHO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422768466 500295808 /nfs/dbraw/zinc/29/58/08/500295808.db2.gz SFNWYLOAEFNYMY-BHDDXSALSA-N 1 3 369.553 3.439 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796352 500299183 /nfs/dbraw/zinc/29/91/83/500299183.db2.gz YIUJUHMQGRQSEB-AWEZNQCLSA-N 1 3 353.445 3.067 20 0 FGADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCc2ccccc2C1 ZINC000422807531 500300718 /nfs/dbraw/zinc/30/07/18/500300718.db2.gz MNOXLYJDFRDMIX-IERDGZPVSA-N 1 3 352.526 3.336 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418664276 500303974 /nfs/dbraw/zinc/30/39/74/500303974.db2.gz ISJQKMFMGVFQMH-MPGHIAIKSA-N 1 3 366.937 3.007 20 0 FGADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418667194 500304529 /nfs/dbraw/zinc/30/45/29/500304529.db2.gz MGPBXGAEABMPJW-UFYCRDLUSA-N 1 3 372.557 3.058 20 0 FGADHO COc1ccccc1N1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422838974 500304485 /nfs/dbraw/zinc/30/44/85/500304485.db2.gz PILAVEVWTHJRTG-FXAWDEMLSA-N 1 3 353.510 3.212 20 0 FGADHO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422865329 500307085 /nfs/dbraw/zinc/30/70/85/500307085.db2.gz XSMYFFVCUQRONZ-AWEZNQCLSA-N 1 3 357.498 3.494 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864211 500307588 /nfs/dbraw/zinc/30/75/88/500307588.db2.gz UPTQLAHPDUQWEF-KGLIPLIRSA-N 1 3 367.559 3.413 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924799 500307814 /nfs/dbraw/zinc/30/78/14/500307814.db2.gz JOBYCVKQWRLZGF-NQIIRXRSSA-N 1 3 365.521 3.342 20 0 FGADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430925807 500307955 /nfs/dbraw/zinc/30/79/55/500307955.db2.gz DWWYIRMUNVTFSH-UTKZUKDTSA-N 1 3 373.541 3.198 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896989 500312776 /nfs/dbraw/zinc/31/27/76/500312776.db2.gz ZAYUPSOVLOQBNV-UONOGXRCSA-N 1 3 354.336 3.129 20 0 FGADHO COc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897132 500313226 /nfs/dbraw/zinc/31/32/26/500313226.db2.gz JCQLLYGVOQQLRM-NJDAHSKKSA-N 1 3 358.526 3.254 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896985 500313269 /nfs/dbraw/zinc/31/32/69/500313269.db2.gz ZAYUPSOVLOQBNV-KBPBESRZSA-N 1 3 354.336 3.129 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(-c2ccncc2)cs1 ZINC000422907978 500314794 /nfs/dbraw/zinc/31/47/94/500314794.db2.gz CNRDFWUFDBSMAM-CRAIPNDOSA-N 1 3 352.507 3.296 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)NCC1([NH3+])CCC1 ZINC000423320462 500364074 /nfs/dbraw/zinc/36/40/74/500364074.db2.gz GKQFBGBRIQLGJO-GFCCVEGCSA-N 1 3 358.267 3.083 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418755822 500318889 /nfs/dbraw/zinc/31/88/89/500318889.db2.gz XRKCIDXUFRELOX-KRWDZBQOSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000422935757 500319670 /nfs/dbraw/zinc/31/96/70/500319670.db2.gz DNTAHOLZEPLUKC-NWDGAFQWSA-N 1 3 357.292 3.388 20 0 FGADHO CC(C)n1cc2c(n1)C[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948109 500321749 /nfs/dbraw/zinc/32/17/49/500321749.db2.gz ZSBAOIZRACZICI-PIPMEXSNSA-N 1 3 366.509 3.167 20 0 FGADHO C[C@H](NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949884 500322276 /nfs/dbraw/zinc/32/22/76/500322276.db2.gz UWGCSIAVELIDRO-DAYGRLMNSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@@H](NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949890 500322704 /nfs/dbraw/zinc/32/27/04/500322704.db2.gz UWGCSIAVELIDRO-RVKKMQEKSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000422964283 500324428 /nfs/dbraw/zinc/32/44/28/500324428.db2.gz IDQKPOKTBGKRGZ-XMSQKQJNSA-N 1 3 367.537 3.272 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000431017507 500324443 /nfs/dbraw/zinc/32/44/43/500324443.db2.gz QNSXLQCUOSDXHN-PMACEKPBSA-N 1 3 372.557 3.373 20 0 FGADHO CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431022933 500324774 /nfs/dbraw/zinc/32/47/74/500324774.db2.gz PLIKGLHQUUAASJ-SFHVURJKSA-N 1 3 357.542 3.138 20 0 FGADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431024691 500325267 /nfs/dbraw/zinc/32/52/67/500325267.db2.gz MEUQUDHYEHRANV-KRWDZBQOSA-N 1 3 351.494 3.093 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422984490 500327017 /nfs/dbraw/zinc/32/70/17/500327017.db2.gz XZYXQCVIHFPFOV-MRXNPFEDSA-N 1 3 368.525 3.226 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024546 500332738 /nfs/dbraw/zinc/33/27/38/500332738.db2.gz LYJBRPMLYYEUPB-QTJFZDIUSA-N 1 3 360.452 3.223 20 0 FGADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423031202 500333228 /nfs/dbraw/zinc/33/32/28/500333228.db2.gz KSQMDFRGWYCCBK-KZNAEPCWSA-N 1 3 358.461 3.319 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000423036169 500333843 /nfs/dbraw/zinc/33/38/43/500333843.db2.gz ABVUNWKLAKILAH-MRXNPFEDSA-N 1 3 369.465 3.347 20 0 FGADHO CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)c1ccc(OC)c(OC)c1 ZINC000423044360 500334573 /nfs/dbraw/zinc/33/45/73/500334573.db2.gz BDKQDMKAYBYVBZ-BPQIPLTHSA-N 1 3 364.530 3.104 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046196 500334904 /nfs/dbraw/zinc/33/49/04/500334904.db2.gz FCKGVMQFDRYVNZ-CDNPAEQRSA-N 1 3 352.522 3.430 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060406 500336854 /nfs/dbraw/zinc/33/68/54/500336854.db2.gz IBHHNNMQIJHAAE-KSFYIVLOSA-N 1 3 352.526 3.410 20 0 FGADHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087750 500340419 /nfs/dbraw/zinc/34/04/19/500340419.db2.gz QGJBDAWMBAODSX-NUUXYWTLSA-N 1 3 359.480 3.302 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1OC ZINC000423160198 500349899 /nfs/dbraw/zinc/34/98/99/500349899.db2.gz ZDSBMARTYGKUIT-IAGOWNOFSA-N 1 3 350.503 3.142 20 0 FGADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@H]2CN)cc1Br ZINC000423169805 500350664 /nfs/dbraw/zinc/35/06/64/500350664.db2.gz ZZDVSYWVGOEPMZ-BQFCYCMXSA-N 1 3 369.347 3.016 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182897 500352846 /nfs/dbraw/zinc/35/28/46/500352846.db2.gz LYRYSAUJCVATPJ-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419378548 500359454 /nfs/dbraw/zinc/35/94/54/500359454.db2.gz VUNAFDSGINCCRM-FCGDIQPGSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419378548 500359456 /nfs/dbraw/zinc/35/94/56/500359456.db2.gz VUNAFDSGINCCRM-FCGDIQPGSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1Cc1ccccc1 ZINC000427152499 500359983 /nfs/dbraw/zinc/35/99/83/500359983.db2.gz KEMIVMLDPKVOPG-AZUAARDMSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423368819 500367283 /nfs/dbraw/zinc/36/72/83/500367283.db2.gz DIRYPAORMGYSIV-CQSZACIVSA-N 1 3 350.466 3.425 20 0 FGADHO CCSc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400692 500370098 /nfs/dbraw/zinc/37/00/98/500370098.db2.gz WZUCMTBKTUPKNU-BBRMVZONSA-N 1 3 361.477 3.285 20 0 FGADHO COCC1(CN[C@H](C)c2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000423413118 500372555 /nfs/dbraw/zinc/37/25/55/500372555.db2.gz YELHDAJEAONCEJ-CYBMUJFWSA-N 1 3 371.319 3.125 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476211 500377145 /nfs/dbraw/zinc/37/71/45/500377145.db2.gz QWZVNNUXLCFOGH-MOXGXCLJSA-N 1 3 357.473 3.143 20 0 FGADHO COc1ccc(C[C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476211 500377147 /nfs/dbraw/zinc/37/71/47/500377147.db2.gz QWZVNNUXLCFOGH-MOXGXCLJSA-N 1 3 357.473 3.143 20 0 FGADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423475096 500377305 /nfs/dbraw/zinc/37/73/05/500377305.db2.gz ZUDJPIVOFNBKBA-YNEHKIRRSA-N 1 3 358.267 3.459 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286949 500377786 /nfs/dbraw/zinc/37/77/86/500377786.db2.gz IAZVHJUOARWNPX-CTNGQTDRSA-N 1 3 357.542 3.137 20 0 FGADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423517817 500381063 /nfs/dbraw/zinc/38/10/63/500381063.db2.gz BZAHUYJBTVEQSL-PINONDNOSA-N 1 3 369.553 3.169 20 0 FGADHO COc1ccccc1[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423578258 500386043 /nfs/dbraw/zinc/38/60/43/500386043.db2.gz UIYMMPDXVQBSLF-GOSISDBHSA-N 1 3 353.510 3.339 20 0 FGADHO COc1ccc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000423579070 500386101 /nfs/dbraw/zinc/38/61/01/500386101.db2.gz VQIXEQHWDGMVNS-QGZVFWFLSA-N 1 3 371.500 3.478 20 0 FGADHO Cc1c([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573580 500386142 /nfs/dbraw/zinc/38/61/42/500386142.db2.gz OVRWTBAMGYAEFG-SFHVURJKSA-N 1 3 369.557 3.417 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423754499 500399692 /nfs/dbraw/zinc/39/96/92/500399692.db2.gz YROCTJFCQYUIPI-AEFFLSMTSA-N 1 3 351.922 3.138 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC000431655078 500403572 /nfs/dbraw/zinc/40/35/72/500403572.db2.gz WGZZQMFTDMQPJQ-PZJWPPBQSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC000431655078 500403575 /nfs/dbraw/zinc/40/35/75/500403575.db2.gz WGZZQMFTDMQPJQ-PZJWPPBQSA-N 1 3 373.541 3.213 20 0 FGADHO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000579520699 506193816 /nfs/dbraw/zinc/19/38/16/506193816.db2.gz KRPWEROBGIIOOW-BEFAXECRSA-N 1 3 358.457 3.420 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423839864 500410311 /nfs/dbraw/zinc/41/03/11/500410311.db2.gz DNGAERPANBDCKM-UXPWSPDFSA-N 1 3 358.530 3.021 20 0 FGADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914463 500418835 /nfs/dbraw/zinc/41/88/35/500418835.db2.gz XXGGPQXHVAPLRY-WOJBJXKFSA-N 1 3 355.526 3.161 20 0 FGADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914463 500418837 /nfs/dbraw/zinc/41/88/37/500418837.db2.gz XXGGPQXHVAPLRY-WOJBJXKFSA-N 1 3 355.526 3.161 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830263 500430271 /nfs/dbraw/zinc/43/02/71/500430271.db2.gz JHKPEYRKIMGKRU-QIJUGHKUSA-N 1 3 365.521 3.316 20 0 FGADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420298447 500436997 /nfs/dbraw/zinc/43/69/97/500436997.db2.gz FHPJSNASLZWZOT-QFIPXVFZSA-N 1 3 353.510 3.245 20 0 FGADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323437 500441707 /nfs/dbraw/zinc/44/17/07/500441707.db2.gz UGPZMZGMPYMQTG-GOSISDBHSA-N 1 3 358.482 3.277 20 0 FGADHO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420323437 500441709 /nfs/dbraw/zinc/44/17/09/500441709.db2.gz UGPZMZGMPYMQTG-GOSISDBHSA-N 1 3 358.482 3.277 20 0 FGADHO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420323437 500441710 /nfs/dbraw/zinc/44/17/10/500441710.db2.gz UGPZMZGMPYMQTG-GOSISDBHSA-N 1 3 358.482 3.277 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323901 500441783 /nfs/dbraw/zinc/44/17/83/500441783.db2.gz UOSQXGXLYAYHCZ-UNMCSNQZSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323901 500441784 /nfs/dbraw/zinc/44/17/84/500441784.db2.gz UOSQXGXLYAYHCZ-UNMCSNQZSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323901 500441786 /nfs/dbraw/zinc/44/17/86/500441786.db2.gz UOSQXGXLYAYHCZ-UNMCSNQZSA-N 1 3 354.494 3.419 20 0 FGADHO Brc1ccccc1OCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332755 500443342 /nfs/dbraw/zinc/44/33/42/500443342.db2.gz SHWYTTIWRBSKMY-LSDHHAIUSA-N 1 3 353.304 3.149 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374507 500450286 /nfs/dbraw/zinc/45/02/86/500450286.db2.gz HKHMAGINFYBWAD-NHCUHLMSSA-N 1 3 362.514 3.073 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295059 500482210 /nfs/dbraw/zinc/48/22/10/500482210.db2.gz QOOGEMULUASODL-SFHVURJKSA-N 1 3 371.569 3.107 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292127 500482470 /nfs/dbraw/zinc/48/24/70/500482470.db2.gz OCRPFMINDWNQRU-MSOLQXFVSA-N 1 3 365.521 3.481 20 0 FGADHO C[C@@H]1CC2(CN1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301149 500483080 /nfs/dbraw/zinc/48/30/80/500483080.db2.gz XFHKTDYTDLVJTI-QGZVFWFLSA-N 1 3 350.510 3.325 20 0 FGADHO Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3N)CC2)cc1 ZINC000424330935 500487697 /nfs/dbraw/zinc/48/76/97/500487697.db2.gz IVKACQAGTNXLCF-NHCUHLMSSA-N 1 3 357.542 3.026 20 0 FGADHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380504 500494188 /nfs/dbraw/zinc/49/41/88/500494188.db2.gz PSIKRTMCHOXLCJ-AWEZNQCLSA-N 1 3 350.528 3.390 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC000420782085 500500074 /nfs/dbraw/zinc/50/00/74/500500074.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC000420782085 500500078 /nfs/dbraw/zinc/50/00/78/500500078.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580080 506199380 /nfs/dbraw/zinc/19/93/80/506199380.db2.gz LKFBKWYBYQIZPL-PGRDOPGGSA-N 1 3 365.521 3.356 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000424443591 500506475 /nfs/dbraw/zinc/50/64/75/500506475.db2.gz KULJANZEIXJSHD-UHFFFAOYSA-N 1 3 352.482 3.240 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984870 500548794 /nfs/dbraw/zinc/54/87/94/500548794.db2.gz UYUZTEGFIMYTRS-TZIWHRDSSA-N 1 3 351.579 3.074 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984870 500548795 /nfs/dbraw/zinc/54/87/95/500548795.db2.gz UYUZTEGFIMYTRS-TZIWHRDSSA-N 1 3 351.579 3.074 20 0 FGADHO C[NH+](C)CCOCCN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000447600638 500631907 /nfs/dbraw/zinc/63/19/07/500631907.db2.gz NHXUTPJOAWGDNV-OAHLLOKOSA-N 1 3 361.711 3.258 20 0 FGADHO C[NH+](C)CCOCCN[C@H]1CCc2c1cc(Br)cc2Cl ZINC000447600637 500632131 /nfs/dbraw/zinc/63/21/31/500632131.db2.gz NHXUTPJOAWGDNV-HNNXBMFYSA-N 1 3 361.711 3.258 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866858 500636508 /nfs/dbraw/zinc/63/65/08/500636508.db2.gz JJJSQIHCELIFHE-QGZVFWFLSA-N 1 3 351.922 3.169 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724780 500653749 /nfs/dbraw/zinc/65/37/49/500653749.db2.gz YHJFCIGMXAAOTC-MOPGFXCFSA-N 1 3 357.498 3.417 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724780 500653751 /nfs/dbraw/zinc/65/37/51/500653751.db2.gz YHJFCIGMXAAOTC-MOPGFXCFSA-N 1 3 357.498 3.417 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661866 /nfs/dbraw/zinc/66/18/66/500661866.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661867 /nfs/dbraw/zinc/66/18/67/500661867.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 1 3 358.448 3.413 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433313864 500669713 /nfs/dbraw/zinc/66/97/13/500669713.db2.gz SEUNQOHDVBNPEI-OAQYLSRUSA-N 1 3 353.510 3.270 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000433322770 500672291 /nfs/dbraw/zinc/67/22/91/500672291.db2.gz ZAQGJEMMKKSMNZ-HXUWFJFHSA-N 1 3 359.514 3.363 20 0 FGADHO C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275573 500703054 /nfs/dbraw/zinc/70/30/54/500703054.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275573 500703058 /nfs/dbraw/zinc/70/30/58/500703058.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 1 3 367.537 3.030 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993110 500703087 /nfs/dbraw/zinc/70/30/87/500703087.db2.gz YLJZHBSRJNTUDQ-LJQANCHMSA-N 1 3 364.578 3.061 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437835645 500703702 /nfs/dbraw/zinc/70/37/02/500703702.db2.gz BFKWOFQMORXFLX-IBGZPJMESA-N 1 3 373.541 3.154 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835645 500703704 /nfs/dbraw/zinc/70/37/04/500703704.db2.gz BFKWOFQMORXFLX-IBGZPJMESA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000448235574 500737176 /nfs/dbraw/zinc/73/71/76/500737176.db2.gz YUQMQFADIXRUHY-UTKZUKDTSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000448235574 500737178 /nfs/dbraw/zinc/73/71/78/500737178.db2.gz YUQMQFADIXRUHY-UTKZUKDTSA-N 1 3 367.493 3.436 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000443652740 500750112 /nfs/dbraw/zinc/75/01/12/500750112.db2.gz LOIWOMPWEFNUJQ-VQIMIIECSA-N 1 3 362.562 3.127 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433962123 500772937 /nfs/dbraw/zinc/77/29/37/500772937.db2.gz MJJNQHJDQQTSMB-HXUWFJFHSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433962122 500772973 /nfs/dbraw/zinc/77/29/73/500772973.db2.gz MJJNQHJDQQTSMB-FQEVSTJZSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664868 506219703 /nfs/dbraw/zinc/21/97/03/506219703.db2.gz LJPKKGIINCOKLR-DXIQSLLYSA-N 1 3 371.569 3.271 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664868 506219706 /nfs/dbraw/zinc/21/97/06/506219706.db2.gz LJPKKGIINCOKLR-DXIQSLLYSA-N 1 3 371.569 3.271 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146782 500863789 /nfs/dbraw/zinc/86/37/89/500863789.db2.gz OEQGYGBDPXGKAK-OXQOHEQNSA-N 1 3 359.562 3.320 20 0 FGADHO Cc1cc(N2CCC(NC3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)CC2)n[nH]1 ZINC000439146782 500863791 /nfs/dbraw/zinc/86/37/91/500863791.db2.gz OEQGYGBDPXGKAK-OXQOHEQNSA-N 1 3 359.562 3.320 20 0 FGADHO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037124 500907675 /nfs/dbraw/zinc/90/76/75/500907675.db2.gz MJRBWXMGNKYERY-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000444890221 500918162 /nfs/dbraw/zinc/91/81/62/500918162.db2.gz VOOIHIMCXPAHPZ-OAQYLSRUSA-N 1 3 372.557 3.025 20 0 FGADHO C[C@@H](CN[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095875 500924311 /nfs/dbraw/zinc/92/43/11/500924311.db2.gz CEILHYIKIGIGOQ-MHORFTMASA-N 1 3 366.571 3.150 20 0 FGADHO C[C@@H](CN[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095875 500924314 /nfs/dbraw/zinc/92/43/14/500924314.db2.gz CEILHYIKIGIGOQ-MHORFTMASA-N 1 3 366.571 3.150 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000607686994 506225308 /nfs/dbraw/zinc/22/53/08/506225308.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000607686994 506225315 /nfs/dbraw/zinc/22/53/15/506225315.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 1 3 373.541 3.106 20 0 FGADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195893 500945953 /nfs/dbraw/zinc/94/59/53/500945953.db2.gz WTPCWBMUJVJXIX-SJORKVTESA-N 1 3 371.294 3.056 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1(C)C ZINC000449305293 500971927 /nfs/dbraw/zinc/97/19/27/500971927.db2.gz ROXITOCBCSEYTP-UHFFFAOYSA-N 1 3 372.582 3.044 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN1C1CCCC1 ZINC000440168732 500983459 /nfs/dbraw/zinc/98/34/59/500983459.db2.gz KTSKKXOIMCHJQI-OAQYLSRUSA-N 1 3 355.526 3.306 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCCN2CCO)CC1 ZINC000449398588 500993974 /nfs/dbraw/zinc/99/39/74/500993974.db2.gz VUERYVODCPMBPX-LJQANCHMSA-N 1 3 353.595 3.102 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538762 501021096 /nfs/dbraw/zinc/02/10/96/501021096.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538762 501021098 /nfs/dbraw/zinc/02/10/98/501021098.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 1 3 357.542 3.231 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441382161 501130811 /nfs/dbraw/zinc/13/08/11/501130811.db2.gz NKEROCDJCOCAJY-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1(C)C ZINC000441377363 501130935 /nfs/dbraw/zinc/13/09/35/501130935.db2.gz GIRVVSZKPHGCBQ-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@H]4CCCC[C@@H]4C)CC3)C2)n(C)n1 ZINC000446920536 501181535 /nfs/dbraw/zinc/18/15/35/501181535.db2.gz MNLKJOCNZGPDGR-YYWHXJBOSA-N 1 3 373.589 3.330 20 0 FGADHO Cc1nc2c(n1[C@H]1CCN(CC[N@@H+](C)Cc3ccccc3)C1)CCCC2 ZINC000450784664 501208143 /nfs/dbraw/zinc/20/81/43/501208143.db2.gz KAGYENQIDJQUAE-FQEVSTJZSA-N 1 3 352.526 3.449 20 0 FGADHO Cc1nc2c(n1[C@H]1CCN(CC[N@H+](C)Cc3ccccc3)C1)CCCC2 ZINC000450784664 501208144 /nfs/dbraw/zinc/20/81/44/501208144.db2.gz KAGYENQIDJQUAE-FQEVSTJZSA-N 1 3 352.526 3.449 20 0 FGADHO OCC[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000450801238 501211267 /nfs/dbraw/zinc/21/12/67/501211267.db2.gz YXCUPDRKLAMNQU-WOJBJXKFSA-N 1 3 366.933 3.034 20 0 FGADHO OCC[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000450801238 501211269 /nfs/dbraw/zinc/21/12/69/501211269.db2.gz YXCUPDRKLAMNQU-WOJBJXKFSA-N 1 3 366.933 3.034 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453251126 501299024 /nfs/dbraw/zinc/29/90/24/501299024.db2.gz LCQQHDNVQNXGQY-GUDVDZBRSA-N 1 3 356.539 3.422 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453251126 501299027 /nfs/dbraw/zinc/29/90/27/501299027.db2.gz LCQQHDNVQNXGQY-GUDVDZBRSA-N 1 3 356.539 3.422 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453251128 501299416 /nfs/dbraw/zinc/29/94/16/501299416.db2.gz LCQQHDNVQNXGQY-IPMKNSEASA-N 1 3 356.539 3.422 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453251128 501299417 /nfs/dbraw/zinc/29/94/17/501299417.db2.gz LCQQHDNVQNXGQY-IPMKNSEASA-N 1 3 356.539 3.422 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327817 /nfs/dbraw/zinc/32/78/17/501327817.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327819 /nfs/dbraw/zinc/32/78/19/501327819.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327821 /nfs/dbraw/zinc/32/78/21/501327821.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327822 /nfs/dbraw/zinc/32/78/22/501327822.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 1 3 360.542 3.400 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000455607777 501345986 /nfs/dbraw/zinc/34/59/86/501345986.db2.gz JKITWEWDZLIJLM-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000455607777 501345992 /nfs/dbraw/zinc/34/59/92/501345992.db2.gz JKITWEWDZLIJLM-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206653 501392875 /nfs/dbraw/zinc/39/28/75/501392875.db2.gz ZVFFQULPCHANFQ-LJQANCHMSA-N 1 3 359.514 3.281 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000458575543 501478226 /nfs/dbraw/zinc/47/82/26/501478226.db2.gz XVJXSSODRJRUEB-HKUYNNGSSA-N 1 3 360.546 3.069 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)[C@H]1SC ZINC000459393539 501645491 /nfs/dbraw/zinc/64/54/91/501645491.db2.gz VWKRZFLBUQUJMX-RCCFBDPRSA-N 1 3 354.585 3.459 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470726053 501783182 /nfs/dbraw/zinc/78/31/82/501783182.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470726053 501783184 /nfs/dbraw/zinc/78/31/84/501783184.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470758275 501794305 /nfs/dbraw/zinc/79/43/05/501794305.db2.gz WDYVGTHCHNRCFX-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO O=C(CN1CCC[C@@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542455 501808914 /nfs/dbraw/zinc/80/89/14/501808914.db2.gz LRUGWWZDZZJCCP-QGZVFWFLSA-N 1 3 373.516 3.138 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417640 501814888 /nfs/dbraw/zinc/81/48/88/501814888.db2.gz WZKAOBYRWQLWRR-IPJJNNNSSA-N 1 3 365.521 3.192 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000485489748 501836006 /nfs/dbraw/zinc/83/60/06/501836006.db2.gz JXJWUTPUYRWWHP-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000485489748 501836013 /nfs/dbraw/zinc/83/60/13/501836013.db2.gz JXJWUTPUYRWWHP-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775605 501870406 /nfs/dbraw/zinc/87/04/06/501870406.db2.gz RMWCYVPLQPHQNV-MAUKXSAKSA-N 1 3 362.518 3.025 20 0 FGADHO C[NH+]1CCC(CC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789765 501938454 /nfs/dbraw/zinc/93/84/54/501938454.db2.gz HJYPUJFHUPJDML-OAQYLSRUSA-N 1 3 371.569 3.308 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000478412566 501973911 /nfs/dbraw/zinc/97/39/11/501973911.db2.gz DHSNPPKJQDKBGP-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc2c(s1)CCC2 ZINC000482114104 501978931 /nfs/dbraw/zinc/97/89/31/501978931.db2.gz LAVGJUFLVDZGJV-QGZVFWFLSA-N 1 3 370.566 3.495 20 0 FGADHO c1ccc2c(c1)SCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482112997 501979242 /nfs/dbraw/zinc/97/92/42/501979242.db2.gz IKWKWWXGPAYVHI-HXUWFJFHSA-N 1 3 368.550 3.420 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513527 502005473 /nfs/dbraw/zinc/00/54/73/502005473.db2.gz BZRBJHNWDPWXKA-FPOVZHCZSA-N 1 3 366.509 3.082 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513527 502005478 /nfs/dbraw/zinc/00/54/78/502005478.db2.gz BZRBJHNWDPWXKA-FPOVZHCZSA-N 1 3 366.509 3.082 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000478513527 502005482 /nfs/dbraw/zinc/00/54/82/502005482.db2.gz BZRBJHNWDPWXKA-FPOVZHCZSA-N 1 3 366.509 3.082 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471390047 502008520 /nfs/dbraw/zinc/00/85/20/502008520.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 1 3 357.542 3.062 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471390047 502008526 /nfs/dbraw/zinc/00/85/26/502008526.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 1 3 357.542 3.062 20 0 FGADHO O=C(CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560582 502018658 /nfs/dbraw/zinc/01/86/58/502018658.db2.gz YCMUFQHBBNIXKV-GOSISDBHSA-N 1 3 370.522 3.116 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000464653823 502055560 /nfs/dbraw/zinc/05/55/60/502055560.db2.gz XIKGCOFOWSLSGK-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000468442206 502060154 /nfs/dbraw/zinc/06/01/54/502060154.db2.gz JPFIYXFOXHTXSS-FQEVSTJZSA-N 1 3 360.546 3.197 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000468466654 502067030 /nfs/dbraw/zinc/06/70/30/502067030.db2.gz KQFOTGLQFYMMJU-GOSISDBHSA-N 1 3 357.498 3.345 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881103 502136866 /nfs/dbraw/zinc/13/68/66/502136866.db2.gz QTZRLDIFUTURTN-SFTDATJTSA-N 1 3 357.542 3.163 20 0 FGADHO C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486532911 502183643 /nfs/dbraw/zinc/18/36/43/502183643.db2.gz GHRAAAUHTLSYRL-PXNSSMCTSA-N 1 3 361.493 3.472 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182914 502185732 /nfs/dbraw/zinc/18/57/32/502185732.db2.gz DAJUAXVAPOMCNK-ZWKOTPCHSA-N 1 3 363.502 3.129 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479186674 502187327 /nfs/dbraw/zinc/18/73/27/502187327.db2.gz MKVHWAYJENXYRJ-FQEVSTJZSA-N 1 3 357.473 3.025 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479186674 502187330 /nfs/dbraw/zinc/18/73/30/502187330.db2.gz MKVHWAYJENXYRJ-FQEVSTJZSA-N 1 3 357.473 3.025 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479186600 502187822 /nfs/dbraw/zinc/18/78/22/502187822.db2.gz LRQMREAAHSZYNZ-FQEVSTJZSA-N 1 3 373.472 3.227 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000465424810 502257693 /nfs/dbraw/zinc/25/76/93/502257693.db2.gz AYOMLKFQHHSWCV-OAQYLSRUSA-N 1 3 374.573 3.273 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000465434096 502260462 /nfs/dbraw/zinc/26/04/62/502260462.db2.gz PHJKTMIBUCFDOV-TZIWHRDSSA-N 1 3 374.573 3.443 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000465434096 502260469 /nfs/dbraw/zinc/26/04/69/502260469.db2.gz PHJKTMIBUCFDOV-TZIWHRDSSA-N 1 3 374.573 3.443 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491156 502277305 /nfs/dbraw/zinc/27/73/05/502277305.db2.gz OMMWYERZOBPELU-NHCUHLMSSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491156 502277308 /nfs/dbraw/zinc/27/73/08/502277308.db2.gz OMMWYERZOBPELU-NHCUHLMSSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCN1C ZINC000479537711 502289842 /nfs/dbraw/zinc/28/98/42/502289842.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCN1C ZINC000479537711 502289847 /nfs/dbraw/zinc/28/98/47/502289847.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 1 3 364.578 3.155 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266917 502290899 /nfs/dbraw/zinc/29/08/99/502290899.db2.gz YCJASORBXIRBQK-QFIPXVFZSA-N 1 3 370.541 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000469138020 502311945 /nfs/dbraw/zinc/31/19/45/502311945.db2.gz QHTQZIPLPHBVBM-CTNGQTDRSA-N 1 3 372.557 3.159 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000469138020 502311952 /nfs/dbraw/zinc/31/19/52/502311952.db2.gz QHTQZIPLPHBVBM-CTNGQTDRSA-N 1 3 372.557 3.159 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627790 502330261 /nfs/dbraw/zinc/33/02/61/502330261.db2.gz HFGYUFMRMXKNOR-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO Brc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)s1 ZINC000479690505 502346327 /nfs/dbraw/zinc/34/63/27/502346327.db2.gz UENAWWDTUCSRBQ-UHFFFAOYSA-N 1 3 372.376 3.018 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000476010597 502357493 /nfs/dbraw/zinc/35/74/93/502357493.db2.gz KGGBILDORSNZTE-QKNQBKEWSA-N 1 3 374.573 3.236 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000476010597 502357497 /nfs/dbraw/zinc/35/74/97/502357497.db2.gz KGGBILDORSNZTE-QKNQBKEWSA-N 1 3 374.573 3.236 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465773196 502379838 /nfs/dbraw/zinc/37/98/38/502379838.db2.gz YTSKRIUWWONLNO-MOPGFXCFSA-N 1 3 360.546 3.023 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCCC[NH+](CC)CC)CC1 ZINC000472566869 502385792 /nfs/dbraw/zinc/38/57/92/502385792.db2.gz FNYBGFBQIIEYMG-SFHVURJKSA-N 1 3 364.553 3.350 20 0 FGADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000480259671 502515752 /nfs/dbraw/zinc/51/57/52/502515752.db2.gz IGCGVGMSIWUCMD-MRXNPFEDSA-N 1 3 358.452 3.304 20 0 FGADHO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000462789630 502574751 /nfs/dbraw/zinc/57/47/51/502574751.db2.gz KIGOYRXINZMRMK-MRXNPFEDSA-N 1 3 359.539 3.150 20 0 FGADHO Cc1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869169 502576415 /nfs/dbraw/zinc/57/64/15/502576415.db2.gz CJIHMNBPLIJJOR-ROUUACIJSA-N 1 3 359.514 3.281 20 0 FGADHO CC1CC[NH+](CCC[C@H](NCCc2ncn(C)n2)c2ccc(F)cc2)CC1 ZINC000462820472 502586570 /nfs/dbraw/zinc/58/65/70/502586570.db2.gz WFBGBKFMMLFLKS-FQEVSTJZSA-N 1 3 373.520 3.340 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000480548112 502599388 /nfs/dbraw/zinc/59/93/88/502599388.db2.gz CQSFNTUOBGQNGC-SFHVURJKSA-N 1 3 352.526 3.425 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496763 502610376 /nfs/dbraw/zinc/61/03/76/502610376.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496763 502610378 /nfs/dbraw/zinc/61/03/78/502610378.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000469985466 502618335 /nfs/dbraw/zinc/61/83/35/502618335.db2.gz YCLRVZYMROXUKB-ROUUACIJSA-N 1 3 357.542 3.366 20 0 FGADHO CCC[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CCNCC1 ZINC000470022009 502633987 /nfs/dbraw/zinc/63/39/87/502633987.db2.gz FYHSQPUBBQXIQF-UHFFFAOYSA-N 1 3 355.276 3.142 20 0 FGADHO CCC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CCNCC1 ZINC000470022009 502633992 /nfs/dbraw/zinc/63/39/92/502633992.db2.gz FYHSQPUBBQXIQF-UHFFFAOYSA-N 1 3 355.276 3.142 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000466744317 502660787 /nfs/dbraw/zinc/66/07/87/502660787.db2.gz PXQDRJHUJFTETP-UHFFFAOYSA-N 1 3 356.514 3.261 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123585 502701785 /nfs/dbraw/zinc/70/17/85/502701785.db2.gz ORZHRSURMKSGMB-YOEHRIQHSA-N 1 3 359.436 3.327 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000481033787 502735421 /nfs/dbraw/zinc/73/54/21/502735421.db2.gz HVDXLFVPOVCXEY-NCYKPQTJSA-N 1 3 367.622 3.470 20 0 FGADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000477342551 502748307 /nfs/dbraw/zinc/74/83/07/502748307.db2.gz RYGZVIVVBKVFBN-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N(C)Cc1ccccc1 ZINC000477396942 502764162 /nfs/dbraw/zinc/76/41/62/502764162.db2.gz WBMAOINNWDVLAA-GOSISDBHSA-N 1 3 360.546 3.119 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000481187183 502777256 /nfs/dbraw/zinc/77/72/56/502777256.db2.gz FKPNARPFKTVTTO-SBHAEUEKSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000481187183 502777258 /nfs/dbraw/zinc/77/72/58/502777258.db2.gz FKPNARPFKTVTTO-SBHAEUEKSA-N 1 3 359.558 3.164 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000474032384 502785034 /nfs/dbraw/zinc/78/50/34/502785034.db2.gz IXMQZBZVTVQMBA-BAGYTPMASA-N 1 3 360.542 3.354 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974577 502790699 /nfs/dbraw/zinc/79/06/99/502790699.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974577 502790706 /nfs/dbraw/zinc/79/07/06/502790706.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 1 3 372.557 3.071 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000500748048 502854147 /nfs/dbraw/zinc/85/41/47/502854147.db2.gz LDDDEJVACSNHPN-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076228 502874583 /nfs/dbraw/zinc/87/45/83/502874583.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489076228 502874587 /nfs/dbraw/zinc/87/45/87/502874587.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 1 3 372.557 3.072 20 0 FGADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000500991929 502907426 /nfs/dbraw/zinc/90/74/26/502907426.db2.gz XFWXRYOFSAFFLJ-PXNSSMCTSA-N 1 3 367.965 3.422 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501039402 502919264 /nfs/dbraw/zinc/91/92/64/502919264.db2.gz WWKLRNYVICFFQV-SFHVURJKSA-N 1 3 363.546 3.161 20 0 FGADHO COC(=O)c1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501043288 502920766 /nfs/dbraw/zinc/92/07/66/502920766.db2.gz BTPGDEHOULVXNM-UHFFFAOYSA-N 1 3 353.466 3.217 20 0 FGADHO COC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501043288 502920770 /nfs/dbraw/zinc/92/07/70/502920770.db2.gz BTPGDEHOULVXNM-UHFFFAOYSA-N 1 3 353.466 3.217 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1)CC1CC1 ZINC000509560306 502935131 /nfs/dbraw/zinc/93/51/31/502935131.db2.gz OBBLDWDAVQDXMG-UHFFFAOYSA-N 1 3 371.525 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1)CC1CC1 ZINC000509560306 502935135 /nfs/dbraw/zinc/93/51/35/502935135.db2.gz OBBLDWDAVQDXMG-UHFFFAOYSA-N 1 3 371.525 3.466 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566213 502935917 /nfs/dbraw/zinc/93/59/17/502935917.db2.gz DHHCENVFPWTZSP-WMZOPIPTSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000509569607 502937292 /nfs/dbraw/zinc/93/72/92/502937292.db2.gz NOKWTPRYXOMSFF-SQNIBIBYSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000509569607 502937297 /nfs/dbraw/zinc/93/72/97/502937297.db2.gz NOKWTPRYXOMSFF-SQNIBIBYSA-N 1 3 364.534 3.082 20 0 FGADHO C[C@H]1C[C@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493903 502952676 /nfs/dbraw/zinc/95/26/76/502952676.db2.gz DLPZZRGLMZTVIQ-HKUYNNGSSA-N 1 3 368.525 3.107 20 0 FGADHO C[C@H]1C[C@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493903 502952678 /nfs/dbraw/zinc/95/26/78/502952678.db2.gz DLPZZRGLMZTVIQ-HKUYNNGSSA-N 1 3 368.525 3.107 20 0 FGADHO C/C(=C/c1ccc(Cl)cc1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000513499544 502953348 /nfs/dbraw/zinc/95/33/48/502953348.db2.gz GXJZOAVSTKXRJT-PEZBUJJGSA-N 1 3 363.933 3.276 20 0 FGADHO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417609 502954089 /nfs/dbraw/zinc/95/40/89/502954089.db2.gz ODNLVOSBJUMSET-YADHBBJMSA-N 1 3 363.505 3.110 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000505746114 502977169 /nfs/dbraw/zinc/97/71/69/502977169.db2.gz RZCOVAMBFMOTMD-UHFFFAOYSA-N 1 3 353.510 3.469 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000505746114 502977174 /nfs/dbraw/zinc/97/71/74/502977174.db2.gz RZCOVAMBFMOTMD-UHFFFAOYSA-N 1 3 353.510 3.469 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782304 502984807 /nfs/dbraw/zinc/98/48/07/502984807.db2.gz FHAJEGVSFADBFR-IBGZPJMESA-N 1 3 371.525 3.240 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782304 502984810 /nfs/dbraw/zinc/98/48/10/502984810.db2.gz FHAJEGVSFADBFR-IBGZPJMESA-N 1 3 371.525 3.240 20 0 FGADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCC[C@@H]1C ZINC000501490215 503019622 /nfs/dbraw/zinc/01/96/22/503019622.db2.gz JOAYXPKQEQRDAH-RBUKOAKNSA-N 1 3 352.567 3.061 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489758591 503027116 /nfs/dbraw/zinc/02/71/16/503027116.db2.gz NXDDLONZOZASBP-RTBURBONSA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCC(C)CC2)cc1 ZINC000501545866 503033794 /nfs/dbraw/zinc/03/37/94/503033794.db2.gz LRGNFMVMTSNMOS-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000501545830 503034117 /nfs/dbraw/zinc/03/41/17/503034117.db2.gz LBUPJUDPFNSFNM-XLIONFOSSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000501545830 503034120 /nfs/dbraw/zinc/03/41/20/503034120.db2.gz LBUPJUDPFNSFNM-XLIONFOSSA-N 1 3 360.546 3.025 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000489793881 503036717 /nfs/dbraw/zinc/03/67/17/503036717.db2.gz CZEUWPPADNZYOU-NHCUHLMSSA-N 1 3 372.557 3.345 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045924 /nfs/dbraw/zinc/04/59/24/503045924.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045926 /nfs/dbraw/zinc/04/59/26/503045926.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501734555 503069688 /nfs/dbraw/zinc/06/96/88/503069688.db2.gz KUCNDEQFZGBRGO-SFHVURJKSA-N 1 3 367.484 3.120 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501734555 503069689 /nfs/dbraw/zinc/06/96/89/503069689.db2.gz KUCNDEQFZGBRGO-SFHVURJKSA-N 1 3 367.484 3.120 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000501786236 503079192 /nfs/dbraw/zinc/07/91/92/503079192.db2.gz UKYHNEPISCSWTO-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293706 503086689 /nfs/dbraw/zinc/08/66/89/503086689.db2.gz AKXBCWFZCURNGK-ROUUACIJSA-N 1 3 351.922 3.323 20 0 FGADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293706 503086692 /nfs/dbraw/zinc/08/66/92/503086692.db2.gz AKXBCWFZCURNGK-ROUUACIJSA-N 1 3 351.922 3.323 20 0 FGADHO C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305148 503088815 /nfs/dbraw/zinc/08/88/15/503088815.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305148 503088821 /nfs/dbraw/zinc/08/88/21/503088821.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000514413648 503128788 /nfs/dbraw/zinc/12/87/88/503128788.db2.gz SDGOSFYIJVGPNX-UHFFFAOYSA-N 1 3 362.518 3.058 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711943 503159544 /nfs/dbraw/zinc/15/95/44/503159544.db2.gz RZHOCVNCQSZIAR-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510735378 503182014 /nfs/dbraw/zinc/18/20/14/503182014.db2.gz OEHMAPHPMDFNRA-SFTDATJTSA-N 1 3 355.526 3.181 20 0 FGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000502362650 503186997 /nfs/dbraw/zinc/18/69/97/503186997.db2.gz AMOKXAJLTKHUOM-RBBKRZOGSA-N 1 3 359.558 3.384 20 0 FGADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000510980980 503228947 /nfs/dbraw/zinc/22/89/47/503228947.db2.gz RGRTXMSXHGGRQZ-BHIFYINESA-N 1 3 352.526 3.472 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000490812348 503230564 /nfs/dbraw/zinc/23/05/64/503230564.db2.gz KLGOPGBVWCXYEW-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000490812348 503230565 /nfs/dbraw/zinc/23/05/65/503230565.db2.gz KLGOPGBVWCXYEW-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000502793395 503273995 /nfs/dbraw/zinc/27/39/95/503273995.db2.gz JNLGWSOIWAFPTL-KRWDZBQOSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000502793395 503273998 /nfs/dbraw/zinc/27/39/98/503273998.db2.gz JNLGWSOIWAFPTL-KRWDZBQOSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418873 503318016 /nfs/dbraw/zinc/31/80/16/503318016.db2.gz UWSUBCJMVGQNQO-AKHDSKFASA-N 1 3 364.578 3.202 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418873 503318019 /nfs/dbraw/zinc/31/80/19/503318019.db2.gz UWSUBCJMVGQNQO-AKHDSKFASA-N 1 3 364.578 3.202 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319187 /nfs/dbraw/zinc/31/91/87/503319187.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 1 3 374.573 3.317 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319189 /nfs/dbraw/zinc/31/91/89/503319189.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 1 3 374.573 3.317 20 0 FGADHO CCCN(C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000491837533 503333202 /nfs/dbraw/zinc/33/32/02/503333202.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CCCN(C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000491837533 503333206 /nfs/dbraw/zinc/33/32/06/503333206.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000499104957 503335460 /nfs/dbraw/zinc/33/54/60/503335460.db2.gz YMBIWNUGJHIBPK-DYESRHJHSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820016 503407033 /nfs/dbraw/zinc/40/70/33/503407033.db2.gz BJZNIDZHCKRORB-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508032777 503416485 /nfs/dbraw/zinc/41/64/85/503416485.db2.gz MQDLTHWMFLPJMD-IBGZPJMESA-N 1 3 360.546 3.101 20 0 FGADHO CCn1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000499526532 503425807 /nfs/dbraw/zinc/42/58/07/503425807.db2.gz JERLYSGZABJDCC-SFHVURJKSA-N 1 3 370.541 3.149 20 0 FGADHO CCn1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000499526532 503425808 /nfs/dbraw/zinc/42/58/08/503425808.db2.gz JERLYSGZABJDCC-SFHVURJKSA-N 1 3 370.541 3.149 20 0 FGADHO CCN1CCN(c2ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000508096767 503430220 /nfs/dbraw/zinc/43/02/20/503430220.db2.gz JFNBXFWKJBFTFJ-UHFFFAOYSA-N 1 3 374.573 3.019 20 0 FGADHO C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182631 503479649 /nfs/dbraw/zinc/47/96/49/503479649.db2.gz FLJJRJJQOIAFOQ-UWJYYQICSA-N 1 3 355.526 3.203 20 0 FGADHO Cn1cnnc1CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254639 503483226 /nfs/dbraw/zinc/48/32/26/503483226.db2.gz XNTQFRPHTWZHGT-OAQYLSRUSA-N 1 3 367.541 3.472 20 0 FGADHO Cc1nc2ccc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2s1 ZINC000494190638 503500225 /nfs/dbraw/zinc/50/02/25/503500225.db2.gz CMFDYIOXEWXMCP-IBGZPJMESA-N 1 3 367.518 3.461 20 0 FGADHO Cc1nc2ccc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2s1 ZINC000494190638 503500229 /nfs/dbraw/zinc/50/02/29/503500229.db2.gz CMFDYIOXEWXMCP-IBGZPJMESA-N 1 3 367.518 3.461 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508852705 503578198 /nfs/dbraw/zinc/57/81/98/503578198.db2.gz NDJWLKYKWXFTFO-DSKINZAPSA-N 1 3 372.557 3.051 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508852705 503578205 /nfs/dbraw/zinc/57/82/05/503578205.db2.gz NDJWLKYKWXFTFO-DSKINZAPSA-N 1 3 372.557 3.051 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C ZINC000508898122 503593596 /nfs/dbraw/zinc/59/35/96/503593596.db2.gz KLOJCLRDLPNJBV-GHTZIAJQSA-N 1 3 374.573 3.360 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)C ZINC000508909730 503598054 /nfs/dbraw/zinc/59/80/54/503598054.db2.gz XNQLXKMFSQFYGW-DYXWJJEUSA-N 1 3 372.557 3.114 20 0 FGADHO FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512637199 503600612 /nfs/dbraw/zinc/60/06/12/503600612.db2.gz SMWWXZIEEAUFAU-KZNAEPCWSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512637199 503600615 /nfs/dbraw/zinc/60/06/15/503600615.db2.gz SMWWXZIEEAUFAU-KZNAEPCWSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512637199 503600620 /nfs/dbraw/zinc/60/06/20/503600620.db2.gz SMWWXZIEEAUFAU-KZNAEPCWSA-N 1 3 356.432 3.456 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2CC(C)C)[C@H](C)C1 ZINC000540147205 503688069 /nfs/dbraw/zinc/68/80/69/503688069.db2.gz QNDKPEBAKCIPDC-HKBOAZHASA-N 1 3 353.595 3.224 20 0 FGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388947 503756421 /nfs/dbraw/zinc/75/64/21/503756421.db2.gz XQBADYLEJQQQKY-JXFKEZNVSA-N 1 3 352.482 3.469 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024414 503779783 /nfs/dbraw/zinc/77/97/83/503779783.db2.gz KPXUGSMNHTVXSH-HDICACEKSA-N 1 3 372.509 3.071 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024414 503779792 /nfs/dbraw/zinc/77/97/92/503779792.db2.gz KPXUGSMNHTVXSH-HDICACEKSA-N 1 3 372.509 3.071 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024186 503797904 /nfs/dbraw/zinc/79/79/04/503797904.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024186 503797910 /nfs/dbraw/zinc/79/79/10/503797910.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CCCC[NH+](C)C)c2cccs2)CC1 ZINC000517765742 503831513 /nfs/dbraw/zinc/83/15/13/503831513.db2.gz GLHVTICHEGLQCD-KRWDZBQOSA-N 1 3 351.560 3.369 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccsc1 ZINC000537305570 503874174 /nfs/dbraw/zinc/87/41/74/503874174.db2.gz YTANPPYWLQWUHY-SFHVURJKSA-N 1 3 366.575 3.258 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238802 503888426 /nfs/dbraw/zinc/88/84/26/503888426.db2.gz CIBFADGTWRNOBD-KSSFIOAISA-N 1 3 354.441 3.440 20 0 FGADHO Cc1ccc2c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000530240135 503889265 /nfs/dbraw/zinc/88/92/65/503889265.db2.gz KWKLJMBNVAXGFX-IBGZPJMESA-N 1 3 370.493 3.000 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000546874262 503911869 /nfs/dbraw/zinc/91/18/69/503911869.db2.gz KSGWBDJOCWTTJV-VRXWPRPYSA-N 1 3 362.514 3.004 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926270 503941173 /nfs/dbraw/zinc/94/11/73/503941173.db2.gz GBVWCUKDPDOBDI-IBGZPJMESA-N 1 3 366.509 3.031 20 0 FGADHO COc1cc(C)c(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1 ZINC000540999323 503970891 /nfs/dbraw/zinc/97/08/91/503970891.db2.gz KVIDBWGACZKLEH-IAGOWNOFSA-N 1 3 361.530 3.028 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000541097383 504006603 /nfs/dbraw/zinc/00/66/03/504006603.db2.gz UVXCELBXBMWTOH-HXUWFJFHSA-N 1 3 366.594 3.404 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000541120855 504015724 /nfs/dbraw/zinc/01/57/24/504015724.db2.gz RGNRQKPRRKDLMR-MJGOQNOKSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528150673 504094367 /nfs/dbraw/zinc/09/43/67/504094367.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528150673 504094374 /nfs/dbraw/zinc/09/43/74/504094374.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000544370495 504106328 /nfs/dbraw/zinc/10/63/28/504106328.db2.gz FVHVDRAEOOPVHT-GHTZIAJQSA-N 1 3 357.542 3.428 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000530939829 504136189 /nfs/dbraw/zinc/13/61/89/504136189.db2.gz MQZXBVQPMWNJEZ-OALUTQOASA-N 1 3 359.558 3.464 20 0 FGADHO CC[C@@H](NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000544575575 504179317 /nfs/dbraw/zinc/17/93/17/504179317.db2.gz MTJVYTJFNZAKJQ-HXUWFJFHSA-N 1 3 356.514 3.382 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000544622279 504195460 /nfs/dbraw/zinc/19/54/60/504195460.db2.gz WJUPOWAGKKIZRM-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000544622279 504195464 /nfs/dbraw/zinc/19/54/64/504195464.db2.gz WJUPOWAGKKIZRM-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571428 504257684 /nfs/dbraw/zinc/25/76/84/504257684.db2.gz QNUVHAPCVSKBKD-GHTZIAJQSA-N 1 3 374.573 3.217 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258858 /nfs/dbraw/zinc/25/88/58/504258858.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258861 /nfs/dbraw/zinc/25/88/61/504258861.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000519580968 504260848 /nfs/dbraw/zinc/26/08/48/504260848.db2.gz UCVOFGQCVPFZNO-XXBNENTESA-N 1 3 352.522 3.448 20 0 FGADHO C[NH+](C)C1CCC(NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000519657527 504291346 /nfs/dbraw/zinc/29/13/46/504291346.db2.gz UIDIHRVYLYXCNO-UHFFFAOYSA-N 1 3 366.571 3.220 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000542007043 504332796 /nfs/dbraw/zinc/33/27/96/504332796.db2.gz LFWYLWIPQYRQSG-CQSZACIVSA-N 1 3 353.869 3.047 20 0 FGADHO C[N@H+](CCC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCCC1 ZINC000548388035 504426358 /nfs/dbraw/zinc/42/63/58/504426358.db2.gz KSGNUHARIGOGRU-UHFFFAOYSA-N 1 3 371.569 3.464 20 0 FGADHO C[N@@H+](CCC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCCC1 ZINC000548388035 504426362 /nfs/dbraw/zinc/42/63/62/504426362.db2.gz KSGNUHARIGOGRU-UHFFFAOYSA-N 1 3 371.569 3.464 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)N2CCCN(C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192374 504430953 /nfs/dbraw/zinc/43/09/53/504430953.db2.gz OYCSAFZQFJMLJG-XLIONFOSSA-N 1 3 352.567 3.013 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528912778 504447003 /nfs/dbraw/zinc/44/70/03/504447003.db2.gz IFEWECMRKIKKGH-LJQANCHMSA-N 1 3 374.529 3.156 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528912778 504447007 /nfs/dbraw/zinc/44/70/07/504447007.db2.gz IFEWECMRKIKKGH-LJQANCHMSA-N 1 3 374.529 3.156 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528912778 504447010 /nfs/dbraw/zinc/44/70/10/504447010.db2.gz IFEWECMRKIKKGH-LJQANCHMSA-N 1 3 374.529 3.156 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000520379655 504483959 /nfs/dbraw/zinc/48/39/59/504483959.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 1 3 360.546 3.200 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000520379655 504483963 /nfs/dbraw/zinc/48/39/63/504483963.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 1 3 360.546 3.200 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000542504585 504516885 /nfs/dbraw/zinc/51/68/85/504516885.db2.gz XTTFPCJQQSKUCB-KRWDZBQOSA-N 1 3 372.557 3.324 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000520757613 504574682 /nfs/dbraw/zinc/57/46/82/504574682.db2.gz OMNAVKPMYKEOGA-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000520782532 504580787 /nfs/dbraw/zinc/58/07/87/504580787.db2.gz SVTUTAUASGLRNM-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000520782532 504580791 /nfs/dbraw/zinc/58/07/91/504580791.db2.gz SVTUTAUASGLRNM-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO CCC(CC)(CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539474211 504583529 /nfs/dbraw/zinc/58/35/29/504583529.db2.gz IWIFKXUMPQSSDA-GOSISDBHSA-N 1 3 372.557 3.457 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000539494968 504589064 /nfs/dbraw/zinc/58/90/64/504589064.db2.gz ATJZGMWAYALKJA-BDTNDASRSA-N 1 3 369.553 3.136 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000529360031 504645279 /nfs/dbraw/zinc/64/52/79/504645279.db2.gz SCERPFHBTPVLMJ-MISYRCLQSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000521167212 504666924 /nfs/dbraw/zinc/66/69/24/504666924.db2.gz HCOICWPOUIJIML-MOPGFXCFSA-N 1 3 352.567 3.062 20 0 FGADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000536219211 504669625 /nfs/dbraw/zinc/66/96/25/504669625.db2.gz IBYQXHRDTYUGQV-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505483 504674405 /nfs/dbraw/zinc/67/44/05/504674405.db2.gz DKIJRVVVFHDJAL-CHWSQXEVSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505483 504674410 /nfs/dbraw/zinc/67/44/10/504674410.db2.gz DKIJRVVVFHDJAL-CHWSQXEVSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825903 504705346 /nfs/dbraw/zinc/70/53/46/504705346.db2.gz VYJVWDNHUHAFHI-KRWDZBQOSA-N 1 3 355.530 3.445 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825903 504705351 /nfs/dbraw/zinc/70/53/51/504705351.db2.gz VYJVWDNHUHAFHI-KRWDZBQOSA-N 1 3 355.530 3.445 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000521582593 504759815 /nfs/dbraw/zinc/75/98/15/504759815.db2.gz PDAAMUUOWWOFEU-WTNAPCKOSA-N 1 3 365.521 3.260 20 0 FGADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000559256185 504810827 /nfs/dbraw/zinc/81/08/27/504810827.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 1 3 369.553 3.233 20 0 FGADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000559256185 504810831 /nfs/dbraw/zinc/81/08/31/504810831.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 1 3 369.553 3.233 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000553048474 504813413 /nfs/dbraw/zinc/81/34/13/504813413.db2.gz MWQSWYBASSKLBD-HXUWFJFHSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000553048474 504813416 /nfs/dbraw/zinc/81/34/16/504813416.db2.gz MWQSWYBASSKLBD-HXUWFJFHSA-N 1 3 355.526 3.419 20 0 FGADHO CCc1nc(C)c(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000565194889 504822720 /nfs/dbraw/zinc/82/27/20/504822720.db2.gz LHAJMTMYEUZUCD-UHFFFAOYSA-N 1 3 364.559 3.149 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227214 504830775 /nfs/dbraw/zinc/83/07/75/504830775.db2.gz WIUCXXUPBOKLBI-WMZOPIPTSA-N 1 3 366.347 3.273 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270138 504832567 /nfs/dbraw/zinc/83/25/67/504832567.db2.gz ZVYIWHXRMUDYMG-MIUGBVLSSA-N 1 3 368.525 3.102 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270138 504832571 /nfs/dbraw/zinc/83/25/71/504832571.db2.gz ZVYIWHXRMUDYMG-MIUGBVLSSA-N 1 3 368.525 3.102 20 0 FGADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356104 504863840 /nfs/dbraw/zinc/86/38/40/504863840.db2.gz TYOJBJWJYZLIDO-RBBKRZOGSA-N 1 3 358.526 3.408 20 0 FGADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356104 504863847 /nfs/dbraw/zinc/86/38/47/504863847.db2.gz TYOJBJWJYZLIDO-RBBKRZOGSA-N 1 3 358.526 3.408 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000562615096 504880410 /nfs/dbraw/zinc/88/04/10/504880410.db2.gz CZXZZHAKPBHPHH-PMACEKPBSA-N 1 3 370.541 3.219 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000549840427 504912616 /nfs/dbraw/zinc/91/26/16/504912616.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 1 3 358.526 3.410 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000549840427 504912618 /nfs/dbraw/zinc/91/26/18/504912618.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 1 3 358.526 3.410 20 0 FGADHO C[N@@H+]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732274 504918547 /nfs/dbraw/zinc/91/85/47/504918547.db2.gz FKDSTQSCDWRBBA-YADHBBJMSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732274 504918551 /nfs/dbraw/zinc/91/85/51/504918551.db2.gz FKDSTQSCDWRBBA-YADHBBJMSA-N 1 3 361.493 3.252 20 0 FGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599112 504934116 /nfs/dbraw/zinc/93/41/16/504934116.db2.gz KOHPGCZEHJGYKZ-GHTZIAJQSA-N 1 3 365.521 3.484 20 0 FGADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599112 504934120 /nfs/dbraw/zinc/93/41/20/504934120.db2.gz KOHPGCZEHJGYKZ-GHTZIAJQSA-N 1 3 365.521 3.484 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683844 504957360 /nfs/dbraw/zinc/95/73/60/504957360.db2.gz ONXZIDZQPVDZGH-NQIIRXRSSA-N 1 3 374.573 3.441 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886894 505006693 /nfs/dbraw/zinc/00/66/93/505006693.db2.gz PUONXEXFERFYTF-FGTMMUONSA-N 1 3 356.514 3.270 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886894 505006698 /nfs/dbraw/zinc/00/66/98/505006698.db2.gz PUONXEXFERFYTF-FGTMMUONSA-N 1 3 356.514 3.270 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963817 505032815 /nfs/dbraw/zinc/03/28/15/505032815.db2.gz JSAJSXNKZDELBN-RBUKOAKNSA-N 1 3 374.916 3.448 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000557038905 505050063 /nfs/dbraw/zinc/05/00/63/505050063.db2.gz OSLFCTQIUXBWLD-CQSZACIVSA-N 1 3 362.493 3.103 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000557038905 505050067 /nfs/dbraw/zinc/05/00/67/505050067.db2.gz OSLFCTQIUXBWLD-CQSZACIVSA-N 1 3 362.493 3.103 20 0 FGADHO C[N@H+](C[C@@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005004 505052604 /nfs/dbraw/zinc/05/26/04/505052604.db2.gz NSJFYWUJLNRIMR-FQEVSTJZSA-N 1 3 374.475 3.163 20 0 FGADHO C[N@@H+](C[C@@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005004 505052610 /nfs/dbraw/zinc/05/26/10/505052610.db2.gz NSJFYWUJLNRIMR-FQEVSTJZSA-N 1 3 374.475 3.163 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCO1 ZINC000563300011 505101224 /nfs/dbraw/zinc/10/12/24/505101224.db2.gz ABLMWMQYJISVSS-TYPHKJRUSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@@H](NCC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000566229551 505118854 /nfs/dbraw/zinc/11/88/54/505118854.db2.gz GNTZFQYVKDHCHN-LLVKDONJSA-N 1 3 365.275 3.149 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(O)cc3C)CC2)CC1 ZINC000563393485 505131093 /nfs/dbraw/zinc/13/10/93/505131093.db2.gz HEVFNQAUTRZDKW-UHFFFAOYSA-N 1 3 359.514 3.144 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc3c2CCNC3)c1 ZINC000563499118 505157277 /nfs/dbraw/zinc/15/72/77/505157277.db2.gz MXCGGLWMYKTYHG-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO CC(C)C[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000560729546 505172101 /nfs/dbraw/zinc/17/21/01/505172101.db2.gz GLLSSRGESBUKRP-LJQANCHMSA-N 1 3 359.558 3.381 20 0 FGADHO Cc1ncncc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000563548708 505173436 /nfs/dbraw/zinc/17/34/36/505173436.db2.gz KCTIGSMWMMLQCD-SFHVURJKSA-N 1 3 353.514 3.038 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000554449841 505176334 /nfs/dbraw/zinc/17/63/34/505176334.db2.gz PVBUOHLBPOEHJW-IOMROCGXSA-N 1 3 368.525 3.280 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000557618687 505183774 /nfs/dbraw/zinc/18/37/74/505183774.db2.gz QWWQVOJVSNSVNL-LJQANCHMSA-N 1 3 363.590 3.467 20 0 FGADHO CC(C)[C@]1(CO)CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242728 /nfs/dbraw/zinc/24/27/28/505242728.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN(CC[C@@H](C)[N@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242732 /nfs/dbraw/zinc/24/27/32/505242732.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN([C@H](C)CC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242735 /nfs/dbraw/zinc/24/27/35/505242735.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN([C@H](C)CC[N@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242741 /nfs/dbraw/zinc/24/27/41/505242741.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 1 3 368.606 3.226 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311139 /nfs/dbraw/zinc/31/11/39/505311139.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 1 3 363.505 3.070 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311143 /nfs/dbraw/zinc/31/11/43/505311143.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 1 3 363.505 3.070 20 0 FGADHO CC[C@@H](NCc1cncc(C[NH2+][C@@H](CC)[C@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168762 505343519 /nfs/dbraw/zinc/34/35/19/505343519.db2.gz QVXHLEVGJADCFH-UJOPUZHASA-N 1 3 361.530 3.176 20 0 FGADHO CC[C@@H]([NH2+]Cc1cncc(CN[C@@H](CC)[C@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168762 505343524 /nfs/dbraw/zinc/34/35/24/505343524.db2.gz QVXHLEVGJADCFH-UJOPUZHASA-N 1 3 361.530 3.176 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552043958 505380541 /nfs/dbraw/zinc/38/05/41/505380541.db2.gz IERNONIFXQDNEQ-GBESFXJTSA-N 1 3 351.604 3.201 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345828 505436711 /nfs/dbraw/zinc/43/67/11/505436711.db2.gz VOCQIAQQIXZZAV-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345828 505436716 /nfs/dbraw/zinc/43/67/16/505436716.db2.gz VOCQIAQQIXZZAV-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345828 505436718 /nfs/dbraw/zinc/43/67/18/505436718.db2.gz VOCQIAQQIXZZAV-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000555548751 505454209 /nfs/dbraw/zinc/45/42/09/505454209.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 1 3 371.569 3.418 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000555548751 505454213 /nfs/dbraw/zinc/45/42/13/505454213.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 1 3 371.569 3.418 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000561953248 505477019 /nfs/dbraw/zinc/47/70/19/505477019.db2.gz NHJNDDCAMNWKJA-BNDYYXHWSA-N 1 3 357.542 3.276 20 0 FGADHO COc1cccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641635 505522750 /nfs/dbraw/zinc/52/27/50/505522750.db2.gz YWUKOXMZDIPVOM-XMSQKQJNSA-N 1 3 368.477 3.092 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000562138647 505526901 /nfs/dbraw/zinc/52/69/01/505526901.db2.gz FFWMZPJBPZWXKP-HBFSDRIKSA-N 1 3 360.546 3.016 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000562138647 505526905 /nfs/dbraw/zinc/52/69/05/505526905.db2.gz FFWMZPJBPZWXKP-HBFSDRIKSA-N 1 3 360.546 3.016 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000558971028 505542175 /nfs/dbraw/zinc/54/21/75/505542175.db2.gz ADSNJSDOZUWCAW-GOSISDBHSA-N 1 3 351.922 3.179 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000567706552 505544417 /nfs/dbraw/zinc/54/44/17/505544417.db2.gz WBHUBIHCDFRIKX-GMAHTHKFSA-N 1 3 365.521 3.067 20 0 FGADHO N[C@H](CC1CCCCC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567802133 505564519 /nfs/dbraw/zinc/56/45/19/505564519.db2.gz AVYVCXVIGYKWFH-OAQYLSRUSA-N 1 3 373.541 3.075 20 0 FGADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000608688416 506665376 /nfs/dbraw/zinc/66/53/76/506665376.db2.gz IZSXOWCBIOPRFL-WOJBJXKFSA-N 1 3 374.573 3.269 20 0 FGADHO CCc1ccc([C@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000589947526 506685134 /nfs/dbraw/zinc/68/51/34/506685134.db2.gz KMJHRDQACDBTIE-RXVVDRJESA-N 1 3 359.558 3.227 20 0 FGADHO CCc1ccc([C@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000589947526 506685139 /nfs/dbraw/zinc/68/51/39/506685139.db2.gz KMJHRDQACDBTIE-RXVVDRJESA-N 1 3 359.558 3.227 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604189278 506743817 /nfs/dbraw/zinc/74/38/17/506743817.db2.gz XNQVDVMIHDWUHH-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604189278 506743821 /nfs/dbraw/zinc/74/38/21/506743821.db2.gz XNQVDVMIHDWUHH-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604199990 506748842 /nfs/dbraw/zinc/74/88/42/506748842.db2.gz UIGRTNHVMIMYOD-HXUWFJFHSA-N 1 3 360.546 3.245 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604199990 506748847 /nfs/dbraw/zinc/74/88/47/506748847.db2.gz UIGRTNHVMIMYOD-HXUWFJFHSA-N 1 3 360.546 3.245 20 0 FGADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000597248446 506858877 /nfs/dbraw/zinc/85/88/77/506858877.db2.gz WAKKJDGGIHPCKS-UHFFFAOYSA-N 1 3 350.890 3.338 20 0 FGADHO CC1CCC(N2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)CC1 ZINC000604786512 506943216 /nfs/dbraw/zinc/94/32/16/506943216.db2.gz KZRYCMOKZLUFSM-CTWPCTMYSA-N 1 3 366.594 3.259 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000594290144 507065149 /nfs/dbraw/zinc/06/51/49/507065149.db2.gz ROSYUFYWISPXAT-NRFANRHFSA-N 1 3 370.541 3.052 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000600831855 507140897 /nfs/dbraw/zinc/14/08/97/507140897.db2.gz HCPDBMFDGDUYHB-UXHICEINSA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000605374243 507164433 /nfs/dbraw/zinc/16/44/33/507164433.db2.gz SQXAHKKCIFZTBS-ICSRJNTNSA-N 1 3 361.505 3.028 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591579245 507301879 /nfs/dbraw/zinc/30/18/79/507301879.db2.gz GFGMXKAKTIFHQK-PMACEKPBSA-N 1 3 360.546 3.017 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319731 /nfs/dbraw/zinc/31/97/31/507319731.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319738 /nfs/dbraw/zinc/31/97/38/507319738.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000601296288 507326154 /nfs/dbraw/zinc/32/61/54/507326154.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000601296288 507326159 /nfs/dbraw/zinc/32/61/59/507326159.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015365 507355678 /nfs/dbraw/zinc/35/56/78/507355678.db2.gz CQTTUJQKKRONGT-MLGOLLRUSA-N 1 3 370.278 3.210 20 0 FGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015365 507355682 /nfs/dbraw/zinc/35/56/82/507355682.db2.gz CQTTUJQKKRONGT-MLGOLLRUSA-N 1 3 370.278 3.210 20 0 FGADHO CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623232 507455617 /nfs/dbraw/zinc/45/56/17/507455617.db2.gz DKYCXPINIZYREW-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623232 507455622 /nfs/dbraw/zinc/45/56/22/507455622.db2.gz DKYCXPINIZYREW-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623232 507455628 /nfs/dbraw/zinc/45/56/28/507455628.db2.gz DKYCXPINIZYREW-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000606626208 507457091 /nfs/dbraw/zinc/45/70/91/507457091.db2.gz BLTNBKNWKCEJCL-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638006 507461377 /nfs/dbraw/zinc/46/13/77/507461377.db2.gz NXZIOZVSGXVJSL-MAUKXSAKSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660222 507471690 /nfs/dbraw/zinc/47/16/90/507471690.db2.gz YEPXZIVGPJFHGM-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](OC[C@H](O)CNC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834548 507530460 /nfs/dbraw/zinc/53/04/60/507530460.db2.gz BHTZWARHGWTWLO-FOIQADDNSA-N 1 3 366.933 3.385 20 0 FGADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358489 507698892 /nfs/dbraw/zinc/69/88/92/507698892.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358489 507698895 /nfs/dbraw/zinc/69/88/95/507698895.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000595826146 507702916 /nfs/dbraw/zinc/70/29/16/507702916.db2.gz WWGFFUFQHFZVTM-NRFANRHFSA-N 1 3 374.573 3.414 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000595826146 507702919 /nfs/dbraw/zinc/70/29/19/507702919.db2.gz WWGFFUFQHFZVTM-NRFANRHFSA-N 1 3 374.573 3.414 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417024 /nfs/dbraw/zinc/41/70/24/568417024.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417025 /nfs/dbraw/zinc/41/70/25/568417025.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054537 724385224 /nfs/dbraw/zinc/38/52/24/724385224.db2.gz PZIOUIUIJNMXGZ-FGTMMUONSA-N 1 3 353.551 3.342 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820703719 606915190 /nfs/dbraw/zinc/91/51/90/606915190.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820703719 606915192 /nfs/dbraw/zinc/91/51/92/606915192.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820703719 606915194 /nfs/dbraw/zinc/91/51/94/606915194.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820703719 606915196 /nfs/dbraw/zinc/91/51/96/606915196.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337717 /nfs/dbraw/zinc/33/77/17/700337717.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337722 /nfs/dbraw/zinc/33/77/22/700337722.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337727 /nfs/dbraw/zinc/33/77/27/700337727.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337732 /nfs/dbraw/zinc/33/77/32/700337732.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727862 705089146 /nfs/dbraw/zinc/08/91/46/705089146.db2.gz ANFNZZJMHBVUMM-RHSMWYFYSA-N 1 3 353.963 3.493 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592762 705228293 /nfs/dbraw/zinc/22/82/93/705228293.db2.gz OZCDMCLBGLOULH-GFCCVEGCSA-N 1 3 352.910 3.351 20 0 FGADHO CN(CCCO)C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177732411 705637152 /nfs/dbraw/zinc/63/71/52/705637152.db2.gz MFKNNGNQWJADHU-UHFFFAOYSA-N 1 3 358.448 3.417 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414933973 714005906 /nfs/dbraw/zinc/00/59/06/714005906.db2.gz XMARLJIKLVFMDC-BZPMIXESSA-N 1 3 359.392 3.162 20 0 FGADHO CC(C)Sc1ccccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504569 714663219 /nfs/dbraw/zinc/66/32/19/714663219.db2.gz AQHGTSZNIMKANT-INIZCTEOSA-N 1 3 351.560 3.189 20 0 FGADHO CC(C)Sc1ccccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504569 714663221 /nfs/dbraw/zinc/66/32/21/714663221.db2.gz AQHGTSZNIMKANT-INIZCTEOSA-N 1 3 351.560 3.189 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000617507205 714663364 /nfs/dbraw/zinc/66/33/64/714663364.db2.gz MGRRIJMBTGUELC-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000617507205 714663367 /nfs/dbraw/zinc/66/33/67/714663367.db2.gz MGRRIJMBTGUELC-NSHDSACASA-N 1 3 364.292 3.134 20 0 FGADHO CN(CCc1cccc(C(F)(F)F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000628277824 716133832 /nfs/dbraw/zinc/13/38/32/716133832.db2.gz LDUICUVZQJQYLN-UHFFFAOYSA-N 1 3 357.464 3.206 20 0 FGADHO CN(CCc1cccc(C(F)(F)F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000628277824 716133834 /nfs/dbraw/zinc/13/38/34/716133834.db2.gz LDUICUVZQJQYLN-UHFFFAOYSA-N 1 3 357.464 3.206 20 0 FGADHO C[NH2+]CCOCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629530402 716303742 /nfs/dbraw/zinc/30/37/42/716303742.db2.gz FXAIQRXEJHPNLZ-SFHVURJKSA-N 1 3 363.299 3.364 20 0 FGADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c(C(F)(F)F)c1 ZINC000638482964 717450972 /nfs/dbraw/zinc/45/09/72/717450972.db2.gz ADMMHLUTQJBRGT-UHFFFAOYSA-N 1 3 360.420 3.039 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543706 718366467 /nfs/dbraw/zinc/36/64/67/718366467.db2.gz RFHQPAKKRPHWAQ-KGLIPLIRSA-N 1 3 353.304 3.366 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cc4cc(Cl)cnc4o3)CC2)CC1 ZINC000648439119 718427003 /nfs/dbraw/zinc/42/70/03/718427003.db2.gz INWJGCUBGRRDSG-UHFFFAOYSA-N 1 3 362.905 3.129 20 0 FGADHO C[NH+](C)CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC000649660201 718546272 /nfs/dbraw/zinc/54/62/72/718546272.db2.gz AVMJIDQYJPUTTO-HZPDHXFCSA-N 1 3 358.404 3.329 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708120 718717786 /nfs/dbraw/zinc/71/77/86/718717786.db2.gz TYGVBLVOWZSIQB-LZLYRXPVSA-N 1 3 367.331 3.476 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](N[C@@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709096 718853806 /nfs/dbraw/zinc/85/38/06/718853806.db2.gz KLXQTIHKHPIYQL-RHSMWYFYSA-N 1 3 351.897 3.225 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC000652363642 718937130 /nfs/dbraw/zinc/93/71/30/718937130.db2.gz JWYONGVTZRXCBD-UWWQBHOKSA-N 1 3 356.869 3.219 20 0 FGADHO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001164619303 719049018 /nfs/dbraw/zinc/04/90/18/719049018.db2.gz CLDHQQCPGGRZIT-JTHBVZDNSA-N 1 3 362.521 3.261 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629618 719106612 /nfs/dbraw/zinc/10/66/12/719106612.db2.gz SWAPGAQODLAZLK-TZIWHRDSSA-N 1 3 359.477 3.368 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629618 719106616 /nfs/dbraw/zinc/10/66/16/719106616.db2.gz SWAPGAQODLAZLK-TZIWHRDSSA-N 1 3 359.477 3.368 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784774 719471308 /nfs/dbraw/zinc/47/13/08/719471308.db2.gz HEGVQEOBAJQPED-AWEZNQCLSA-N 1 3 353.304 3.366 20 0 FGADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1sccc1Br ZINC000658110573 719758023 /nfs/dbraw/zinc/75/80/23/719758023.db2.gz YVXNUMMFBVONHI-STQMWFEESA-N 1 3 362.381 3.433 20 0 FGADHO CC[C@@H](CC(F)F)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659911009 719955252 /nfs/dbraw/zinc/95/52/52/719955252.db2.gz BACCDLJWCJSQNY-SFHVURJKSA-N 1 3 353.501 3.417 20 0 FGADHO CC[C@@H](CC(F)F)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659911009 719955253 /nfs/dbraw/zinc/95/52/53/719955253.db2.gz BACCDLJWCJSQNY-SFHVURJKSA-N 1 3 353.501 3.417 20 0 FGADHO CO[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660108170 719990334 /nfs/dbraw/zinc/99/03/34/719990334.db2.gz VIVKDWOOCHIJRP-OAQYLSRUSA-N 1 3 351.579 3.072 20 0 FGADHO CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993381 /nfs/dbraw/zinc/99/33/81/719993381.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](C[N@H+](C)[C@H]1CCCN(C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993383 /nfs/dbraw/zinc/99/33/83/719993383.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](CN(C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993385 /nfs/dbraw/zinc/99/33/85/719993385.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](CN(C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993388 /nfs/dbraw/zinc/99/33/88/719993388.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298687 720412060 /nfs/dbraw/zinc/41/20/60/720412060.db2.gz WUZRWQBVFGMARQ-MAUKXSAKSA-N 1 3 363.933 3.056 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)[C@H]1c1cccs1 ZINC000662474071 720432174 /nfs/dbraw/zinc/43/21/74/720432174.db2.gz RYWNGVVWLARIPY-KXBFYZLASA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)[C@H]1c1cccs1 ZINC000662474071 720432177 /nfs/dbraw/zinc/43/21/77/720432177.db2.gz RYWNGVVWLARIPY-KXBFYZLASA-N 1 3 355.507 3.164 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000663620730 720530901 /nfs/dbraw/zinc/53/09/01/720530901.db2.gz RLNKEVLYQLYHQL-QZTJIDSGSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000663620730 720530903 /nfs/dbraw/zinc/53/09/03/720530903.db2.gz RLNKEVLYQLYHQL-QZTJIDSGSA-N 1 3 366.575 3.257 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995781 721011035 /nfs/dbraw/zinc/01/10/35/721011035.db2.gz ZWXFVGDIKSNZHR-HIFRSBDPSA-N 1 3 365.905 3.330 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804668 722409891 /nfs/dbraw/zinc/40/98/91/722409891.db2.gz QATUSDFUSSZRHF-OOKSDGMUSA-N 1 3 351.535 3.238 20 0 FGADHO CCc1ncc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717907850 722417898 /nfs/dbraw/zinc/41/78/98/722417898.db2.gz RUJCLBAYSOZHAZ-UHFFFAOYSA-N 1 3 359.539 3.212 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000760840212 723097308 /nfs/dbraw/zinc/09/73/08/723097308.db2.gz GRSYRBNLYHNVAU-WMZOPIPTSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000760840212 723097313 /nfs/dbraw/zinc/09/73/13/723097313.db2.gz GRSYRBNLYHNVAU-WMZOPIPTSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760905354 723103877 /nfs/dbraw/zinc/10/38/77/723103877.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760905354 723103878 /nfs/dbraw/zinc/10/38/78/723103878.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]21 ZINC000795126447 723565645 /nfs/dbraw/zinc/56/56/45/723565645.db2.gz WJRBJCJIGHDRSD-QZTJIDSGSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]21 ZINC000795126447 723565647 /nfs/dbraw/zinc/56/56/47/723565647.db2.gz WJRBJCJIGHDRSD-QZTJIDSGSA-N 1 3 351.535 3.194 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691858 723650504 /nfs/dbraw/zinc/65/05/04/723650504.db2.gz FVDIKHWEQZCPIC-JKSUJKDBSA-N 1 3 353.938 3.334 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000796736796 723652625 /nfs/dbraw/zinc/65/26/25/723652625.db2.gz HPMCCPJLPMLPMW-NXOAAHMSSA-N 1 3 358.404 3.081 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000796736796 723652628 /nfs/dbraw/zinc/65/26/28/723652628.db2.gz HPMCCPJLPMLPMW-NXOAAHMSSA-N 1 3 358.404 3.081 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2cc(OC)ccc2OCOC)CC1 ZINC000768303337 723653536 /nfs/dbraw/zinc/65/35/36/723653536.db2.gz MBHRYGKAIIKEJM-UHFFFAOYSA-N 1 3 350.503 3.232 20 0 FGADHO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000775579710 724003019 /nfs/dbraw/zinc/00/30/19/724003019.db2.gz DTLRDMLAQXLQQI-SJORKVTESA-N 1 3 351.535 3.240 20 0 FGADHO Fc1ccc([C@@H]2CN(CC[NH+]3CCCC3)CCO2)cc1Br ZINC000775732527 724032887 /nfs/dbraw/zinc/03/28/87/724032887.db2.gz FQNHCFMKRGLJHE-INIZCTEOSA-N 1 3 357.267 3.057 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894679 727287216 /nfs/dbraw/zinc/28/72/16/727287216.db2.gz PNSHEFSOJQZAJS-KGLIPLIRSA-N 1 3 361.511 3.268 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134549 727350899 /nfs/dbraw/zinc/35/08/99/727350899.db2.gz IDOGWJOAVVJWIO-CPUCHLNUSA-N 1 3 373.310 3.258 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082476 /nfs/dbraw/zinc/08/24/76/729082476.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 1 3 354.560 3.117 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082478 /nfs/dbraw/zinc/08/24/78/729082478.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 1 3 354.560 3.117 20 0 FGADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465420 729283246 /nfs/dbraw/zinc/28/32/46/729283246.db2.gz YBRDNZXHMOTDCC-MSOLQXFVSA-N 1 3 353.551 3.201 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823736472 729301865 /nfs/dbraw/zinc/30/18/65/729301865.db2.gz CNYUQLGSXCHQEI-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292940 729329084 /nfs/dbraw/zinc/32/90/84/729329084.db2.gz WOLVWIVIEINHRA-SQNIBIBYSA-N 1 3 353.551 3.438 20 0 FGADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292940 729329087 /nfs/dbraw/zinc/32/90/87/729329087.db2.gz WOLVWIVIEINHRA-SQNIBIBYSA-N 1 3 353.551 3.438 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384194 729334831 /nfs/dbraw/zinc/33/48/31/729334831.db2.gz ZGKSZFDHZOXSDX-OKZBNKHCSA-N 1 3 353.551 3.342 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000831464927 729644256 /nfs/dbraw/zinc/64/42/56/729644256.db2.gz AMTJTFLHVAWHGG-KRWDZBQOSA-N 1 3 360.889 3.442 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128893 730589199 /nfs/dbraw/zinc/58/91/99/730589199.db2.gz YOSXAXPFCDUIMQ-HUUCEWRRSA-N 1 3 361.921 3.142 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487704 730624385 /nfs/dbraw/zinc/62/43/85/730624385.db2.gz UECDZNNGJGHQLB-KRWDZBQOSA-N 1 3 366.937 3.156 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487704 730624388 /nfs/dbraw/zinc/62/43/88/730624388.db2.gz UECDZNNGJGHQLB-KRWDZBQOSA-N 1 3 366.937 3.156 20 0 FGADHO Cc1cc([C@H](N)CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc(Cl)n1 ZINC000844188871 730691206 /nfs/dbraw/zinc/69/12/06/730691206.db2.gz AEEQLRQOMBDGOX-MRXNPFEDSA-N 1 3 360.889 3.442 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000848241279 731148366 /nfs/dbraw/zinc/14/83/66/731148366.db2.gz LULJBFGLKAKPSH-RBUKOAKNSA-N 1 3 373.944 3.004 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066438 731225728 /nfs/dbraw/zinc/22/57/28/731225728.db2.gz FCXLIWMZQGXVLD-MRXNPFEDSA-N 1 3 356.436 3.236 20 0 FGADHO C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000849091047 731228168 /nfs/dbraw/zinc/22/81/68/731228168.db2.gz DTIFGYUBYMSLCT-UONOGXRCSA-N 1 3 356.436 3.440 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc2ccccc2c1 ZINC000849276227 731240595 /nfs/dbraw/zinc/24/05/95/731240595.db2.gz DAIPEWIXKOULCF-INIZCTEOSA-N 1 3 358.555 3.398 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc2ccccc2c1 ZINC000849276227 731240596 /nfs/dbraw/zinc/24/05/96/731240596.db2.gz DAIPEWIXKOULCF-INIZCTEOSA-N 1 3 358.555 3.398 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490777 732220311 /nfs/dbraw/zinc/22/03/11/732220311.db2.gz OHNQKNNUDKJFGT-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865491439 733212186 /nfs/dbraw/zinc/21/21/86/733212186.db2.gz DIUPIYDECXZUKZ-UHFFFAOYSA-N 1 3 364.383 3.049 20 0 FGADHO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CCCCCC[NH3+] ZINC000872155735 735597245 /nfs/dbraw/zinc/59/72/45/735597245.db2.gz VCQGRQZXTFOERZ-OAHLLOKOSA-N 1 3 362.543 3.094 20 0 FGADHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCCC2=O)cc1 ZINC000873211154 735738754 /nfs/dbraw/zinc/73/87/54/735738754.db2.gz IFCCPPPXUHTPAQ-CQSZACIVSA-N 1 3 355.507 3.371 20 0 FGADHO COc1cc(OC)c([C@@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289615 735746425 /nfs/dbraw/zinc/74/64/25/735746425.db2.gz JURYDURWCMBMFJ-KGLIPLIRSA-N 1 3 368.905 3.167 20 0 FGADHO COc1cc(OC)c([C@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289614 735746732 /nfs/dbraw/zinc/74/67/32/735746732.db2.gz JURYDURWCMBMFJ-KBPBESRZSA-N 1 3 368.905 3.167 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292576 735747172 /nfs/dbraw/zinc/74/71/72/735747172.db2.gz ULHGNWGZKJMOCH-ZFWWWQNUSA-N 1 3 362.905 3.036 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292676 735747599 /nfs/dbraw/zinc/74/75/99/735747599.db2.gz UQJBHXDYJLFPMZ-TZMCWYRMSA-N 1 3 358.404 3.236 20 0 FGADHO CN(Cc1cc2c(ccnc2Cl)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000877525471 736678529 /nfs/dbraw/zinc/67/85/29/736678529.db2.gz DMQUYRDVTIDUPL-OAHLLOKOSA-N 1 3 362.905 3.082 20 0 FGADHO CN(Cc1cc2c(ccnc2Cl)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000877525471 736678531 /nfs/dbraw/zinc/67/85/31/736678531.db2.gz DMQUYRDVTIDUPL-OAHLLOKOSA-N 1 3 362.905 3.082 20 0 FGADHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878366633 736816251 /nfs/dbraw/zinc/81/62/51/736816251.db2.gz UMTZPSBWOIDYLM-SFHVURJKSA-N 1 3 351.922 3.227 20 0 FGADHO C(=C/C[N@@H+]1CC[C@H](c2nccs2)C1)\CN1CC[C@H](c2nccs2)C1 ZINC000880319180 737154370 /nfs/dbraw/zinc/15/43/70/737154370.db2.gz CCPUHYXATKEPEP-POHSLCEDSA-N 1 3 360.552 3.435 20 0 FGADHO C(=C/C[N@H+]1CC[C@H](c2nccs2)C1)\CN1CC[C@H](c2nccs2)C1 ZINC000880319180 737154373 /nfs/dbraw/zinc/15/43/73/737154373.db2.gz CCPUHYXATKEPEP-POHSLCEDSA-N 1 3 360.552 3.435 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCc3ccccc3Br)CC2)C1 ZINC000883433116 737566065 /nfs/dbraw/zinc/56/60/65/737566065.db2.gz IOVWKIUPOIVHPP-FUHWJXTLSA-N 1 3 367.331 3.210 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461685 /nfs/dbraw/zinc/46/16/85/742461685.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461689 /nfs/dbraw/zinc/46/16/89/742461689.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncsc3C3CC3)CC2)CC1 ZINC000914119443 757698220 /nfs/dbraw/zinc/69/82/20/757698220.db2.gz RRMBWWDFAWHUBO-UHFFFAOYSA-N 1 3 362.543 3.155 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000923455381 759121828 /nfs/dbraw/zinc/12/18/28/759121828.db2.gz TXXPJGGEVMUJKU-QGZVFWFLSA-N 1 3 361.873 3.325 20 0 FGADHO C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924723546 759376440 /nfs/dbraw/zinc/37/64/40/759376440.db2.gz YKTZPACLCFYKPS-MRXNPFEDSA-N 1 3 360.523 3.144 20 0 FGADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)CC2 ZINC000925786594 759539454 /nfs/dbraw/zinc/53/94/54/759539454.db2.gz XANHOFIRSVPWMY-SMDDNHRTSA-N 1 3 350.331 3.407 20 0 FGADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)CC2 ZINC000925786593 759539660 /nfs/dbraw/zinc/53/96/60/759539660.db2.gz XANHOFIRSVPWMY-RISCZKNCSA-N 1 3 350.331 3.407 20 0 FGADHO Clc1cccc2c1[C@H](NCC1CC[NH+](C3CCOCC3)CC1)COC2 ZINC000926678642 759800528 /nfs/dbraw/zinc/80/05/28/759800528.db2.gz SOWOQELLGDBRRR-LJQANCHMSA-N 1 3 364.917 3.392 20 0 FGADHO CN1C[C@]2(C)C[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@@]2(C)C1 ZINC000931305784 760822655 /nfs/dbraw/zinc/82/26/55/760822655.db2.gz DAMULVSSJOSUSK-MORSLUCNSA-N 1 3 373.324 3.007 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001027892712 766104216 /nfs/dbraw/zinc/10/42/16/766104216.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2cc(C)sc2C)CC[N@H+]1C ZINC001027892712 766104219 /nfs/dbraw/zinc/10/42/19/766104219.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 1 3 363.571 3.176 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001052393860 766899015 /nfs/dbraw/zinc/89/90/15/766899015.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001052393860 766899027 /nfs/dbraw/zinc/89/90/27/766899027.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 1 3 363.933 3.151 20 0 FGADHO COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000249031017 257371273 /nfs/dbraw/zinc/37/12/73/257371273.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000249031017 257371274 /nfs/dbraw/zinc/37/12/74/257371274.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCCCC1 ZINC000249031017 257371275 /nfs/dbraw/zinc/37/12/75/257371275.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000376674149 257493846 /nfs/dbraw/zinc/49/38/46/257493846.db2.gz UFWZSYMRXVROPO-NVXWUHKLSA-N 1 3 369.475 3.395 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000376741667 257500108 /nfs/dbraw/zinc/50/01/08/257500108.db2.gz IYPQMQZDHZRZMG-IBGZPJMESA-N 1 3 372.557 3.339 20 0 FGADHO CC[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)N1CCc2ccccc2C1 ZINC000567972652 505587266 /nfs/dbraw/zinc/58/72/66/505587266.db2.gz DNCIJYDJAGZIHT-NRFANRHFSA-N 1 3 365.521 3.015 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674957 505593900 /nfs/dbraw/zinc/59/39/00/505593900.db2.gz RPQFOADDHUKGSZ-BOSXTWCSSA-N 1 3 369.509 3.091 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000570943249 505618264 /nfs/dbraw/zinc/61/82/64/505618264.db2.gz RMORGSRXXSQAFD-IHPCNDPISA-N 1 3 373.541 3.211 20 0 FGADHO c1cnn(Cc2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934922 505628169 /nfs/dbraw/zinc/62/81/69/505628169.db2.gz QLBIJSKNVIINOO-GMAHTHKFSA-N 1 3 374.488 3.277 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)CC2)CC1 ZINC000568199677 505641839 /nfs/dbraw/zinc/64/18/39/505641839.db2.gz FLOWAPBGVYRLMA-HTAPYJJXSA-N 1 3 369.553 3.232 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000568307463 505663062 /nfs/dbraw/zinc/66/30/62/505663062.db2.gz WRQVXQCHQQJLSN-IEBWSBKVSA-N 1 3 362.514 3.006 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000580111028 505679788 /nfs/dbraw/zinc/67/97/88/505679788.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000580111028 505679791 /nfs/dbraw/zinc/67/97/91/505679791.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 1 3 374.573 3.269 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000047978698 493768310 /nfs/dbraw/zinc/76/83/10/493768310.db2.gz TVWINQMTJUYAOD-SFHVURJKSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000047978698 493768313 /nfs/dbraw/zinc/76/83/13/493768313.db2.gz TVWINQMTJUYAOD-SFHVURJKSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000047978701 493769271 /nfs/dbraw/zinc/76/92/71/493769271.db2.gz XIFUDSMTKBGEQH-GOSISDBHSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000047978701 493769274 /nfs/dbraw/zinc/76/92/74/493769274.db2.gz XIFUDSMTKBGEQH-GOSISDBHSA-N 1 3 372.557 3.202 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000075768751 493777471 /nfs/dbraw/zinc/77/74/71/493777471.db2.gz TXYRFDHEZQQASB-KNQAVFIVSA-N 1 3 369.553 3.340 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263221 493839468 /nfs/dbraw/zinc/83/94/68/493839468.db2.gz MBTDZCHAHLFIDT-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000081293810 493861963 /nfs/dbraw/zinc/86/19/63/493861963.db2.gz MLFNGCRMAKBBKB-QFIPXVFZSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000081293810 493861968 /nfs/dbraw/zinc/86/19/68/493861968.db2.gz MLFNGCRMAKBBKB-QFIPXVFZSA-N 1 3 369.553 3.279 20 0 FGADHO C[N@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000069070705 493914811 /nfs/dbraw/zinc/91/48/11/493914811.db2.gz XJPUBFLRKNLPCV-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000069070705 493914816 /nfs/dbraw/zinc/91/48/16/493914816.db2.gz XJPUBFLRKNLPCV-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000051236031 493955588 /nfs/dbraw/zinc/95/55/88/493955588.db2.gz JVMHGFIBWDERMO-UHFFFAOYSA-N 1 3 350.894 3.020 20 0 FGADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759454 493985635 /nfs/dbraw/zinc/98/56/35/493985635.db2.gz GNDZBCJVMCLLPM-OAQYLSRUSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1ccc(COc2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)cc1 ZINC000077450359 494085698 /nfs/dbraw/zinc/08/56/98/494085698.db2.gz WUQOHYLPSOMERS-UHFFFAOYSA-N 1 3 354.494 3.120 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000064229420 494107608 /nfs/dbraw/zinc/10/76/08/494107608.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000064229420 494107610 /nfs/dbraw/zinc/10/76/10/494107610.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044380 494119761 /nfs/dbraw/zinc/11/97/61/494119761.db2.gz YXGXLTCGEJTIIL-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000085388337 494119855 /nfs/dbraw/zinc/11/98/55/494119855.db2.gz WWEYGNBJGSQPCN-PXNSSMCTSA-N 1 3 360.546 3.010 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000065441815 494197810 /nfs/dbraw/zinc/19/78/10/494197810.db2.gz RLXCWQJFKRSKFT-LJQANCHMSA-N 1 3 372.557 3.202 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000065441815 494197813 /nfs/dbraw/zinc/19/78/13/494197813.db2.gz RLXCWQJFKRSKFT-LJQANCHMSA-N 1 3 372.557 3.202 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)NCCCN1CCc2ccccc2C1 ZINC000043036292 494259172 /nfs/dbraw/zinc/25/91/72/494259172.db2.gz KPGIJJRLQBQGCL-UHFFFAOYSA-N 1 3 372.557 3.046 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239793 494279328 /nfs/dbraw/zinc/27/93/28/494279328.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239793 494279331 /nfs/dbraw/zinc/27/93/31/494279331.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H](CC(=O)N(C)c1ccccc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594440 494327571 /nfs/dbraw/zinc/32/75/71/494327571.db2.gz AZDOSTDZLOJTNH-LJQANCHMSA-N 1 3 373.541 3.053 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000043993551 494334266 /nfs/dbraw/zinc/33/42/66/494334266.db2.gz IXBIDJGKHHNJMT-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079310879 494434964 /nfs/dbraw/zinc/43/49/64/494434964.db2.gz JEZTURILJFONLJ-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079393783 494445872 /nfs/dbraw/zinc/44/58/72/494445872.db2.gz DTLYKSXBBBWYBO-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079393783 494445876 /nfs/dbraw/zinc/44/58/76/494445876.db2.gz DTLYKSXBBBWYBO-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960855 494446421 /nfs/dbraw/zinc/44/64/21/494446421.db2.gz ZVRCNSRWHFMNID-LJQANCHMSA-N 1 3 371.569 3.404 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960855 494446424 /nfs/dbraw/zinc/44/64/24/494446424.db2.gz ZVRCNSRWHFMNID-LJQANCHMSA-N 1 3 371.569 3.404 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000079576895 494484761 /nfs/dbraw/zinc/48/47/61/494484761.db2.gz WVYQDVSNZRQBKO-UHFFFAOYSA-N 1 3 360.546 3.010 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000079576895 494484764 /nfs/dbraw/zinc/48/47/64/494484764.db2.gz WVYQDVSNZRQBKO-UHFFFAOYSA-N 1 3 360.546 3.010 20 0 FGADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000090937085 494504509 /nfs/dbraw/zinc/50/45/09/494504509.db2.gz DRMNLXWXXDTTMO-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000079710119 494512550 /nfs/dbraw/zinc/51/25/50/494512550.db2.gz RMZASWFNNBIZFW-SBHAEUEKSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000079710119 494512553 /nfs/dbraw/zinc/51/25/53/494512553.db2.gz RMZASWFNNBIZFW-SBHAEUEKSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000056503511 494516857 /nfs/dbraw/zinc/51/68/57/494516857.db2.gz FXWKIGPZYNSPGJ-RBUKOAKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000056503511 494516860 /nfs/dbraw/zinc/51/68/60/494516860.db2.gz FXWKIGPZYNSPGJ-RBUKOAKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000080056165 494577678 /nfs/dbraw/zinc/57/76/78/494577678.db2.gz LNNJMSQVJDOQIO-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO COc1ccccc1[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333549 494583713 /nfs/dbraw/zinc/58/37/13/494583713.db2.gz AMIBHMKXAGCKQX-RXVVDRJESA-N 1 3 373.541 3.104 20 0 FGADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091333627 494584074 /nfs/dbraw/zinc/58/40/74/494584074.db2.gz CSBVSOOTKDMKFD-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@H]1CCC[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000115675698 494591239 /nfs/dbraw/zinc/59/12/39/494591239.db2.gz AHHAMDFQYFFBBA-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000568593899 505731055 /nfs/dbraw/zinc/73/10/55/505731055.db2.gz KUCOIIOIXFHMIW-BHDDXSALSA-N 1 3 363.505 3.318 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000080161649 494619644 /nfs/dbraw/zinc/61/96/44/494619644.db2.gz DYTCHRQKVKHOJN-WLRLJWMZSA-N 1 3 372.557 3.212 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796604 494626244 /nfs/dbraw/zinc/62/62/44/494626244.db2.gz VYNCROKJFJGMBH-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796604 494626246 /nfs/dbraw/zinc/62/62/46/494626246.db2.gz VYNCROKJFJGMBH-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO CC[C@H]1C[C@H](C)CN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022649 494675910 /nfs/dbraw/zinc/67/59/10/494675910.db2.gz KLXIDJYUNXKABF-UWJYYQICSA-N 1 3 357.542 3.196 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ccncc43)CC2)CC1 ZINC000580343626 505737171 /nfs/dbraw/zinc/73/71/71/505737171.db2.gz TUHMOYWZOWEGJI-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355670 494717311 /nfs/dbraw/zinc/71/73/11/494717311.db2.gz NEZPEPJWFGPOBF-JKSUJKDBSA-N 1 3 353.938 3.273 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000092739814 494734430 /nfs/dbraw/zinc/73/44/30/494734430.db2.gz ZEDIQDROPLDSAF-FQEVSTJZSA-N 1 3 352.526 3.330 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553060 494788004 /nfs/dbraw/zinc/78/80/04/494788004.db2.gz NKIUWJZMBRCKAA-QFBILLFUSA-N 1 3 365.949 3.478 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116529064 494808308 /nfs/dbraw/zinc/80/83/08/494808308.db2.gz SQDVFBGQYSTAAK-QZTJIDSGSA-N 1 3 360.546 3.242 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126769608 494834829 /nfs/dbraw/zinc/83/48/29/494834829.db2.gz YXEATFUHHFLKKF-QFIPXVFZSA-N 1 3 371.569 3.395 20 0 FGADHO CC[C@H](C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116740572 494846066 /nfs/dbraw/zinc/84/60/66/494846066.db2.gz IQVOZKMLOOBULE-AVRDEDQJSA-N 1 3 371.569 3.491 20 0 FGADHO CCOC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093419259 494890723 /nfs/dbraw/zinc/89/07/23/494890723.db2.gz UTZJAYZTACGFRE-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093419259 494890725 /nfs/dbraw/zinc/89/07/25/494890725.db2.gz UTZJAYZTACGFRE-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688716 494912324 /nfs/dbraw/zinc/91/23/24/494912324.db2.gz AKZBWZFZOZTFCF-KRWDZBQOSA-N 1 3 362.514 3.181 20 0 FGADHO CC1(C)Cc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2O1 ZINC000093735009 494914610 /nfs/dbraw/zinc/91/46/10/494914610.db2.gz WDLYMYBKAQDHTG-UHFFFAOYSA-N 1 3 358.526 3.477 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122554300 494993413 /nfs/dbraw/zinc/99/34/13/494993413.db2.gz STAVCOKTCARZKC-OAQYLSRUSA-N 1 3 357.542 3.005 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118964083 495059557 /nfs/dbraw/zinc/05/95/57/495059557.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118964083 495059561 /nfs/dbraw/zinc/05/95/61/495059561.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118964083 495059565 /nfs/dbraw/zinc/05/95/65/495059565.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 1 3 361.574 3.324 20 0 FGADHO C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N(C)Cc1ccccc1 ZINC000111453130 495076184 /nfs/dbraw/zinc/07/61/84/495076184.db2.gz ZPYKBMLDZHVXNY-GOSISDBHSA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000111474121 495079878 /nfs/dbraw/zinc/07/98/78/495079878.db2.gz NWTSSQOJPOGMFS-QGZVFWFLSA-N 1 3 360.546 3.069 20 0 FGADHO Cc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)cn1 ZINC000134134248 495111203 /nfs/dbraw/zinc/11/12/03/495111203.db2.gz UZFIELYHKHZEII-UHFFFAOYSA-N 1 3 352.526 3.253 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111800962 495112338 /nfs/dbraw/zinc/11/23/38/495112338.db2.gz MNFWRHSBPFEAFL-HXUWFJFHSA-N 1 3 360.546 3.242 20 0 FGADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000134652563 495181496 /nfs/dbraw/zinc/18/14/96/495181496.db2.gz ZVYVLHLFCNIPQE-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO CN(CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000112657752 495218430 /nfs/dbraw/zinc/21/84/30/495218430.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657752 495218434 /nfs/dbraw/zinc/21/84/34/495218434.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CC(C)Sc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120290943 495344767 /nfs/dbraw/zinc/34/47/67/495344767.db2.gz XYIXUWZIRYCSBN-UHFFFAOYSA-N 1 3 352.548 3.144 20 0 FGADHO CC[C@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000120662655 495429662 /nfs/dbraw/zinc/42/96/62/495429662.db2.gz YCKMLNFRHICYEO-NRFANRHFSA-N 1 3 356.514 3.382 20 0 FGADHO O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000580569169 505788505 /nfs/dbraw/zinc/78/85/05/505788505.db2.gz CAGDHRGXVOFXQE-RBBKRZOGSA-N 1 3 355.526 3.033 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000577770137 505789879 /nfs/dbraw/zinc/78/98/79/505789879.db2.gz JDZAMOIZINXBIA-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000154350715 495588510 /nfs/dbraw/zinc/58/85/10/495588510.db2.gz OEXSBDCUBAIZAK-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154379782 495599033 /nfs/dbraw/zinc/59/90/33/495599033.db2.gz KFVZSHFENVZUHH-KRWDZBQOSA-N 1 3 353.963 3.494 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000150751247 495621660 /nfs/dbraw/zinc/62/16/60/495621660.db2.gz QFVCBVSMAYVICF-OAQYLSRUSA-N 1 3 374.573 3.046 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000150751247 495621664 /nfs/dbraw/zinc/62/16/64/495621664.db2.gz QFVCBVSMAYVICF-OAQYLSRUSA-N 1 3 374.573 3.046 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769847 495628651 /nfs/dbraw/zinc/62/86/51/495628651.db2.gz RRHSYSAYOPYLRA-SFTDATJTSA-N 1 3 355.526 3.128 20 0 FGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCCCC1 ZINC000182673504 495657639 /nfs/dbraw/zinc/65/76/39/495657639.db2.gz UAWOPIWBFINUPF-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000150976112 495698665 /nfs/dbraw/zinc/69/86/65/495698665.db2.gz UYOVTQMNSGQLDB-JKSUJKDBSA-N 1 3 360.571 3.404 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038126 495699346 /nfs/dbraw/zinc/69/93/46/495699346.db2.gz REBIIFBBOLAREY-MSOLQXFVSA-N 1 3 364.559 3.011 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151002958 495708178 /nfs/dbraw/zinc/70/81/78/495708178.db2.gz CUGIVXFLHPUUAT-GOSISDBHSA-N 1 3 371.447 3.188 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171159046 495749011 /nfs/dbraw/zinc/74/90/11/495749011.db2.gz BFQOBUWLGDNDHO-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO Cc1ccc(F)cc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000179976250 495807247 /nfs/dbraw/zinc/80/72/47/495807247.db2.gz PRZFOYSPZGEYAE-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO C[C@H](CCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180115535 495865071 /nfs/dbraw/zinc/86/50/71/495865071.db2.gz FLXHJWDCBKZRES-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118987 495866691 /nfs/dbraw/zinc/86/66/91/495866691.db2.gz BCYCNFKBXBEAFF-WMZHIEFXSA-N 1 3 367.537 3.400 20 0 FGADHO CN1CCC[N@H+](CCCNCc2ccc(Br)cc2Cl)CC1 ZINC000174354817 495925282 /nfs/dbraw/zinc/92/52/82/495925282.db2.gz LUBDIGFKDNALRI-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2ccc(Br)cc2Cl)CC1 ZINC000174354817 495925289 /nfs/dbraw/zinc/92/52/89/495925289.db2.gz LUBDIGFKDNALRI-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1c(C)nc2ccccn2c1=O ZINC000577903881 505815422 /nfs/dbraw/zinc/81/54/22/505815422.db2.gz PUQAMGOBWWUPNI-AZUAARDMSA-N 1 3 370.541 3.036 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903881 505815425 /nfs/dbraw/zinc/81/54/25/505815425.db2.gz PUQAMGOBWWUPNI-AZUAARDMSA-N 1 3 370.541 3.036 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174537666 496000033 /nfs/dbraw/zinc/00/00/33/496000033.db2.gz FHYOYZUNFTWWMY-HXUWFJFHSA-N 1 3 355.526 3.230 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000177325559 496018415 /nfs/dbraw/zinc/01/84/15/496018415.db2.gz MYISPCDRALIAET-GOSISDBHSA-N 1 3 359.514 3.028 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717536 496045264 /nfs/dbraw/zinc/04/52/64/496045264.db2.gz DQMHKDYLQIELJM-HUUCEWRRSA-N 1 3 369.937 3.034 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)N1CCCCC1 ZINC000580710553 505820233 /nfs/dbraw/zinc/82/02/33/505820233.db2.gz FEQNZPRSDJQXMY-SYYKKAFVSA-N 1 3 360.542 3.296 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1OCC ZINC000155742905 496053932 /nfs/dbraw/zinc/05/39/32/496053932.db2.gz BJVWSGILPDQWRB-ROUUACIJSA-N 1 3 363.546 3.161 20 0 FGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902585 496102278 /nfs/dbraw/zinc/10/22/78/496102278.db2.gz QYMJRZRDNQFZDR-PXNSSMCTSA-N 1 3 357.546 3.078 20 0 FGADHO CN(CCOc1ccccc1C(F)(F)F)CCN(C)C1CC[NH+](C)CC1 ZINC000180930877 496205174 /nfs/dbraw/zinc/20/51/74/496205174.db2.gz RGOWNENCKLBRRM-UHFFFAOYSA-N 1 3 373.463 3.042 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000187056400 496272984 /nfs/dbraw/zinc/27/29/84/496272984.db2.gz UESCYAGBMNXTID-OAQYLSRUSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000178036609 496297952 /nfs/dbraw/zinc/29/79/52/496297952.db2.gz GQCIQDHXRUBPRY-KSZLIROESA-N 1 3 362.514 3.388 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178157162 496351195 /nfs/dbraw/zinc/35/11/95/496351195.db2.gz XPDMEFHVTPMAPE-MRXNPFEDSA-N 1 3 356.514 3.300 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414089 /nfs/dbraw/zinc/41/40/89/496414089.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 1 3 360.542 3.140 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414091 /nfs/dbraw/zinc/41/40/91/496414091.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 1 3 360.542 3.140 20 0 FGADHO C[C@@H](OC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418194 /nfs/dbraw/zinc/41/81/94/496418194.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418200 /nfs/dbraw/zinc/41/82/00/496418200.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418207 /nfs/dbraw/zinc/41/82/07/496418207.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418211 /nfs/dbraw/zinc/41/82/11/496418211.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 1 3 366.933 3.195 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)c2ccc(F)cc2C1 ZINC000184516640 496419365 /nfs/dbraw/zinc/41/93/65/496419365.db2.gz IFTPBMZVXLOVNQ-FQEVSTJZSA-N 1 3 361.505 3.472 20 0 FGADHO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699625 496505878 /nfs/dbraw/zinc/50/58/78/496505878.db2.gz XZQCOSYBRSZVNT-LPHOPBHVSA-N 1 3 364.578 3.059 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660576 496531416 /nfs/dbraw/zinc/53/14/16/496531416.db2.gz AQQMDQFOPPFYBZ-MOPGFXCFSA-N 1 3 371.550 3.380 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000163599534 496536275 /nfs/dbraw/zinc/53/62/75/496536275.db2.gz XSUTUABUCMEJLE-LEWJYISDSA-N 1 3 353.510 3.448 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175781866 496543652 /nfs/dbraw/zinc/54/36/52/496543652.db2.gz YQNWSCWHFIRWGE-CTNGQTDRSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175781866 496543659 /nfs/dbraw/zinc/54/36/59/496543659.db2.gz YQNWSCWHFIRWGE-CTNGQTDRSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(Br)c1 ZINC000173313247 496639120 /nfs/dbraw/zinc/63/91/20/496639120.db2.gz OVXGNTHTKLATGP-AWEZNQCLSA-N 1 3 354.336 3.126 20 0 FGADHO C[C@@H](N[C@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182054140 496651754 /nfs/dbraw/zinc/65/17/54/496651754.db2.gz XVGIDGCSTIRONA-OPYAIIAOSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182054140 496651761 /nfs/dbraw/zinc/65/17/61/496651761.db2.gz XVGIDGCSTIRONA-OPYAIIAOSA-N 1 3 351.494 3.116 20 0 FGADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000185220494 496708012 /nfs/dbraw/zinc/70/80/12/496708012.db2.gz IUSPGAIXYIYQAI-SFTDATJTSA-N 1 3 360.542 3.325 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000182270959 496724348 /nfs/dbraw/zinc/72/43/48/496724348.db2.gz SDQDTXYNEZCLDL-BEFAXECRSA-N 1 3 358.457 3.252 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000182270959 496724350 /nfs/dbraw/zinc/72/43/50/496724350.db2.gz SDQDTXYNEZCLDL-BEFAXECRSA-N 1 3 358.457 3.252 20 0 FGADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560197 496735216 /nfs/dbraw/zinc/73/52/16/496735216.db2.gz OUUSQDNQBZIMAP-IBGZPJMESA-N 1 3 362.493 3.286 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000247026902 496756497 /nfs/dbraw/zinc/75/64/97/496756497.db2.gz NHDIJKSOXAQBRU-NPPFBWRTSA-N 1 3 359.558 3.226 20 0 FGADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccnc(OCCN(C)C)c2)cc1 ZINC000188371199 496766729 /nfs/dbraw/zinc/76/67/29/496766729.db2.gz YDZBOERATGWARN-UHFFFAOYSA-N 1 3 370.497 3.116 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CN1Cc1ccccc1 ZINC000247069346 496769547 /nfs/dbraw/zinc/76/95/47/496769547.db2.gz QBSRLDBTBSABAD-NXLVEIQXSA-N 1 3 359.558 3.128 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1ccnc1 ZINC000268774329 496781089 /nfs/dbraw/zinc/78/10/89/496781089.db2.gz RCZPPBLMGVIICR-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1ccnc1 ZINC000268774329 496781094 /nfs/dbraw/zinc/78/10/94/496781094.db2.gz RCZPPBLMGVIICR-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843044 496802004 /nfs/dbraw/zinc/80/20/04/496802004.db2.gz BAKBMVVAZYJMID-PIPMEXSNSA-N 1 3 354.494 3.371 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843044 496802005 /nfs/dbraw/zinc/80/20/05/496802005.db2.gz BAKBMVVAZYJMID-PIPMEXSNSA-N 1 3 354.494 3.371 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000195318501 496887080 /nfs/dbraw/zinc/88/70/80/496887080.db2.gz YDZJHCMCZRCEFW-OAQYLSRUSA-N 1 3 373.541 3.069 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000191831425 496903447 /nfs/dbraw/zinc/90/34/47/496903447.db2.gz MPUGYQTZQMSXAM-NRFANRHFSA-N 1 3 359.558 3.130 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402563 496997245 /nfs/dbraw/zinc/99/72/45/496997245.db2.gz NIOQFGQOFDNZPC-VAMGGRTRSA-N 1 3 357.542 3.039 20 0 FGADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248420616 497004888 /nfs/dbraw/zinc/00/48/88/497004888.db2.gz XGOGOFZBQIGTSY-BRKWEVRTSA-N 1 3 352.526 3.328 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000248742812 497094877 /nfs/dbraw/zinc/09/48/77/497094877.db2.gz AJXAMZGAAVDHIK-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000248742812 497094884 /nfs/dbraw/zinc/09/48/84/497094884.db2.gz AJXAMZGAAVDHIK-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000248742812 497094886 /nfs/dbraw/zinc/09/48/86/497094886.db2.gz AJXAMZGAAVDHIK-OVQSOCLTSA-N 1 3 357.542 3.011 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887391 497191987 /nfs/dbraw/zinc/19/19/87/497191987.db2.gz ITEXHGAKQHNKQE-FBBABVLZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887391 497191990 /nfs/dbraw/zinc/19/19/90/497191990.db2.gz ITEXHGAKQHNKQE-FBBABVLZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274887391 497191993 /nfs/dbraw/zinc/19/19/93/497191993.db2.gz ITEXHGAKQHNKQE-FBBABVLZSA-N 1 3 354.494 3.229 20 0 FGADHO Cc1csc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)n1 ZINC000192729220 497198427 /nfs/dbraw/zinc/19/84/27/497198427.db2.gz WXAFMIQHAARKDR-UHFFFAOYSA-N 1 3 350.576 3.047 20 0 FGADHO COc1ccccc1C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC000192796057 497215743 /nfs/dbraw/zinc/21/57/43/497215743.db2.gz YIPUEAZWHYAPTP-OAQYLSRUSA-N 1 3 361.574 3.268 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266215337 497281619 /nfs/dbraw/zinc/28/16/19/497281619.db2.gz YPWIZBQJQSQAEN-NRFANRHFSA-N 1 3 369.553 3.233 20 0 FGADHO c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000279010210 497302852 /nfs/dbraw/zinc/30/28/52/497302852.db2.gz SUTQMPGNAUMPSO-BURNTYAHSA-N 1 3 350.510 3.231 20 0 FGADHO N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237892749 497309564 /nfs/dbraw/zinc/30/95/64/497309564.db2.gz JRLGIQYVCMNIFZ-NRFANRHFSA-N 1 3 351.494 3.379 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238029746 497330673 /nfs/dbraw/zinc/33/06/73/497330673.db2.gz YCFANYNJZIFPAJ-YYWHXJBOSA-N 1 3 355.526 3.209 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000253563472 497342920 /nfs/dbraw/zinc/34/29/20/497342920.db2.gz DYKYPCJYGJYYGY-ZACQAIPSSA-N 1 3 374.529 3.085 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148974 505901517 /nfs/dbraw/zinc/90/15/17/505901517.db2.gz MBILRFJMDMGXMK-MDZRGWNJSA-N 1 3 354.922 3.100 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148974 505901520 /nfs/dbraw/zinc/90/15/20/505901520.db2.gz MBILRFJMDMGXMK-MDZRGWNJSA-N 1 3 354.922 3.100 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148974 505901523 /nfs/dbraw/zinc/90/15/23/505901523.db2.gz MBILRFJMDMGXMK-MDZRGWNJSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000245424958 497398469 /nfs/dbraw/zinc/39/84/69/497398469.db2.gz SQUPBNDXJDYLNM-QZTJIDSGSA-N 1 3 364.578 3.203 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245539403 497445519 /nfs/dbraw/zinc/44/55/19/497445519.db2.gz HRIWMTPKZMTJPK-IEBNGJLISA-N 1 3 351.535 3.379 20 0 FGADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OCc1cccnc1 ZINC000271773432 497445476 /nfs/dbraw/zinc/44/54/76/497445476.db2.gz CDAOPOBORGPWRF-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OCc1cccnc1 ZINC000271773432 497445480 /nfs/dbraw/zinc/44/54/80/497445480.db2.gz CDAOPOBORGPWRF-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765770 497447279 /nfs/dbraw/zinc/44/72/79/497447279.db2.gz GFGYVOHUDXHGOV-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765770 497447282 /nfs/dbraw/zinc/44/72/82/497447282.db2.gz GFGYVOHUDXHGOV-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765770 497447287 /nfs/dbraw/zinc/44/72/87/497447287.db2.gz GFGYVOHUDXHGOV-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828897 497458143 /nfs/dbraw/zinc/45/81/43/497458143.db2.gz YQJRGNOOFMODSS-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828897 497458149 /nfs/dbraw/zinc/45/81/49/497458149.db2.gz YQJRGNOOFMODSS-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828897 497458154 /nfs/dbraw/zinc/45/81/54/497458154.db2.gz YQJRGNOOFMODSS-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO COc1ccc([C@@H](C)CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271815323 497458900 /nfs/dbraw/zinc/45/89/00/497458900.db2.gz MMZJRSZUZHDNJJ-IBGZPJMESA-N 1 3 359.558 3.289 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271842347 497467495 /nfs/dbraw/zinc/46/74/95/497467495.db2.gz GXWFFPHPXUEADM-CYBMUJFWSA-N 1 3 366.303 3.018 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245629449 497480600 /nfs/dbraw/zinc/48/06/00/497480600.db2.gz HHMWMWOJWOWXPL-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cc2)C1 ZINC000262169440 497519242 /nfs/dbraw/zinc/51/92/42/497519242.db2.gz QGILKMIGPBSXKH-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cc2)C1 ZINC000262169440 497519247 /nfs/dbraw/zinc/51/92/47/497519247.db2.gz QGILKMIGPBSXKH-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO CC1(C)CC(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923257 497520853 /nfs/dbraw/zinc/52/08/53/497520853.db2.gz LDFNDWMIYKZIIW-GOSISDBHSA-N 1 3 372.557 3.117 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000245749076 497527318 /nfs/dbraw/zinc/52/73/18/497527318.db2.gz XCPMTJZSQZAQBE-GBESFXJTSA-N 1 3 361.574 3.268 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N2CCCC2)cc1 ZINC000262253987 497530009 /nfs/dbraw/zinc/53/00/09/497530009.db2.gz IVLMQOFDHACFBR-BJOMATTFSA-N 1 3 369.553 3.402 20 0 FGADHO CN1CCC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277939 497533311 /nfs/dbraw/zinc/53/33/11/497533311.db2.gz KDRXWUVVQJBRPN-ZBFHGGJFSA-N 1 3 354.420 3.027 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262329294 497540939 /nfs/dbraw/zinc/54/09/39/497540939.db2.gz RKEALKDXSUWRRW-WHSGIHJSSA-N 1 3 357.542 3.250 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000194009364 497547227 /nfs/dbraw/zinc/54/72/27/497547227.db2.gz QDVJDEPJDHHTPE-YPAWHYETSA-N 1 3 370.537 3.454 20 0 FGADHO Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000272232141 497572680 /nfs/dbraw/zinc/57/26/80/497572680.db2.gz URPGBWVNWFIPSJ-OXQOHEQNSA-N 1 3 363.509 3.277 20 0 FGADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125339 505915841 /nfs/dbraw/zinc/91/58/41/505915841.db2.gz OURWQDSWHRJYPV-RADWXHQJSA-N 1 3 368.477 3.308 20 0 FGADHO [NH3+]CC1(CC(=O)NCC2CCN(Cc3cccs3)CC2)CCCCC1 ZINC000262665891 497594470 /nfs/dbraw/zinc/59/44/70/497594470.db2.gz NHWNOVVDTNDAOM-UHFFFAOYSA-N 1 3 363.571 3.376 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674397 497597326 /nfs/dbraw/zinc/59/73/26/497597326.db2.gz TTWCDKHHJYCGTR-NYVOZVTQSA-N 1 3 365.521 3.446 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262676511 497597608 /nfs/dbraw/zinc/59/76/08/497597608.db2.gz SOVBVZNYXKSMGC-LVUFRCMMSA-N 1 3 369.553 3.419 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138201 505918559 /nfs/dbraw/zinc/91/85/59/505918559.db2.gz KITOXGAPAJZFHZ-ZWOKBUDYSA-N 1 3 368.949 3.143 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138201 505918564 /nfs/dbraw/zinc/91/85/64/505918564.db2.gz KITOXGAPAJZFHZ-ZWOKBUDYSA-N 1 3 368.949 3.143 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132478 497632449 /nfs/dbraw/zinc/63/24/49/497632449.db2.gz BBGRFBMUOVIIMV-LVCYWYKZSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132478 497632453 /nfs/dbraw/zinc/63/24/53/497632453.db2.gz BBGRFBMUOVIIMV-LVCYWYKZSA-N 1 3 372.557 3.194 20 0 FGADHO CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000272467423 497637073 /nfs/dbraw/zinc/63/70/73/497637073.db2.gz ZUVIUEGWZWIPTE-BURNTYAHSA-N 1 3 359.583 3.209 20 0 FGADHO CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262959822 497666631 /nfs/dbraw/zinc/66/66/31/497666631.db2.gz KOVGWZHAKUJVAP-WIYYLYMNSA-N 1 3 357.542 3.450 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C[NH+]1CCCC1 ZINC000276891604 497680859 /nfs/dbraw/zinc/68/08/59/497680859.db2.gz MEUBTQBPMMUBDO-CQSZACIVSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC000276891604 497680861 /nfs/dbraw/zinc/68/08/61/497680861.db2.gz MEUBTQBPMMUBDO-CQSZACIVSA-N 1 3 352.910 3.164 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@@H](C)C1 ZINC000246332502 497698476 /nfs/dbraw/zinc/69/84/76/497698476.db2.gz DAIZZPHYCUPGDH-JBACZVJFSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@@H](C)C1 ZINC000246332502 497698481 /nfs/dbraw/zinc/69/84/81/497698481.db2.gz DAIZZPHYCUPGDH-JBACZVJFSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000194564901 497706328 /nfs/dbraw/zinc/70/63/28/497706328.db2.gz WYIOUTTYPUTBNQ-IBGZPJMESA-N 1 3 365.521 3.406 20 0 FGADHO CCOc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000268423730 497746915 /nfs/dbraw/zinc/74/69/15/497746915.db2.gz MPESDYGCPNTGCD-UHFFFAOYSA-N 1 3 370.921 3.072 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533958 497767168 /nfs/dbraw/zinc/76/71/68/497767168.db2.gz XWQOPLREEPZNLB-DFQSSKMNSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533958 497767172 /nfs/dbraw/zinc/76/71/72/497767172.db2.gz XWQOPLREEPZNLB-DFQSSKMNSA-N 1 3 360.546 3.194 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@H](N)c1ccccc1 ZINC000578445464 505941567 /nfs/dbraw/zinc/94/15/67/505941567.db2.gz DKKNRRALQHLNGW-NRFANRHFSA-N 1 3 366.509 3.237 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000569493486 505948374 /nfs/dbraw/zinc/94/83/74/505948374.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000569493486 505948377 /nfs/dbraw/zinc/94/83/77/505948377.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 1 3 360.546 3.021 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cn1C ZINC000578557325 505967001 /nfs/dbraw/zinc/96/70/01/505967001.db2.gz QFQOZZHNKJGKPH-UHFFFAOYSA-N 1 3 355.482 3.087 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597312 498114710 /nfs/dbraw/zinc/11/47/10/498114710.db2.gz YEYJRVSVLLUNHV-OAQYLSRUSA-N 1 3 357.542 3.015 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562973 505997966 /nfs/dbraw/zinc/99/79/66/505997966.db2.gz JYIIMBLWEURGPN-QGZVFWFLSA-N 1 3 366.347 3.052 20 0 FGADHO COC(=O)c1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998656 /nfs/dbraw/zinc/99/86/56/505998656.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 1 3 364.489 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998657 /nfs/dbraw/zinc/99/86/57/505998657.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 1 3 364.489 3.427 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000360384970 498270867 /nfs/dbraw/zinc/27/08/67/498270867.db2.gz JXWVOXMIWKGAQF-IIBYNOLFSA-N 1 3 352.526 3.314 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791380 498294959 /nfs/dbraw/zinc/29/49/59/498294959.db2.gz NFBNFYVZZZUUGH-GUDVDZBRSA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791380 498294963 /nfs/dbraw/zinc/29/49/63/498294963.db2.gz NFBNFYVZZZUUGH-GUDVDZBRSA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000289791380 498294966 /nfs/dbraw/zinc/29/49/66/498294966.db2.gz NFBNFYVZZZUUGH-GUDVDZBRSA-N 1 3 356.539 3.279 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007370 498354524 /nfs/dbraw/zinc/35/45/24/498354524.db2.gz VRYQNRRKISXXSS-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000286328556 498365541 /nfs/dbraw/zinc/36/55/41/498365541.db2.gz XVAKGVAGEYKJAZ-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000581640843 506033991 /nfs/dbraw/zinc/03/39/91/506033991.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000581640843 506033994 /nfs/dbraw/zinc/03/39/94/506033994.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581679971 506043149 /nfs/dbraw/zinc/04/31/49/506043149.db2.gz VAECUNIGVMMDGN-QNWVGRARSA-N 1 3 368.496 3.183 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581679971 506043152 /nfs/dbraw/zinc/04/31/52/506043152.db2.gz VAECUNIGVMMDGN-QNWVGRARSA-N 1 3 368.496 3.183 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](CN)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572759846 506046102 /nfs/dbraw/zinc/04/61/02/506046102.db2.gz UYKQILDHQKYKMA-SYYKKAFVSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](CN)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572759846 506046104 /nfs/dbraw/zinc/04/61/04/506046104.db2.gz UYKQILDHQKYKMA-SYYKKAFVSA-N 1 3 365.521 3.146 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981219 506048361 /nfs/dbraw/zinc/04/83/61/506048361.db2.gz BVKYCKIFHGYPNQ-HOTGVXAUSA-N 1 3 374.447 3.155 20 0 FGADHO C[C@H]1CN(c2ccccc2CNCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000297714333 498545010 /nfs/dbraw/zinc/54/50/10/498545010.db2.gz RGPJOCHDKYIOPS-SFHVURJKSA-N 1 3 353.510 3.263 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000581824495 506068037 /nfs/dbraw/zinc/06/80/37/506068037.db2.gz MULHUJFFPFNEEX-STQMWFEESA-N 1 3 368.909 3.060 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462663 498679242 /nfs/dbraw/zinc/67/92/42/498679242.db2.gz LVIDNEIKQBCBCA-VQTJNVASSA-N 1 3 364.578 3.158 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021541 498747801 /nfs/dbraw/zinc/74/78/01/498747801.db2.gz GWSKLPZZXGRRSH-CTNGQTDRSA-N 1 3 355.526 3.099 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424415 498752013 /nfs/dbraw/zinc/75/20/13/498752013.db2.gz FQZZBEBSUQEYHA-MOPGFXCFSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424415 498752018 /nfs/dbraw/zinc/75/20/18/498752018.db2.gz FQZZBEBSUQEYHA-MOPGFXCFSA-N 1 3 374.912 3.191 20 0 FGADHO CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000312938480 498764427 /nfs/dbraw/zinc/76/44/27/498764427.db2.gz PCVPIXSGTWLFJP-OAQYLSRUSA-N 1 3 365.521 3.438 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090531 /nfs/dbraw/zinc/09/05/31/506090531.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 1 3 363.571 3.211 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090535 /nfs/dbraw/zinc/09/05/35/506090535.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 1 3 363.571 3.211 20 0 FGADHO COc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971263 506102284 /nfs/dbraw/zinc/10/22/84/506102284.db2.gz OOJXTJMCAFDIEL-OAHLLOKOSA-N 1 3 354.441 3.460 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1 ZINC000570174028 506108407 /nfs/dbraw/zinc/10/84/07/506108407.db2.gz WAAICWHCCAIKKW-VQTJNVASSA-N 1 3 371.912 3.021 20 0 FGADHO CC(C)Oc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000287999154 498920754 /nfs/dbraw/zinc/92/07/54/498920754.db2.gz BHWLEVMUWYDKHB-OAQYLSRUSA-N 1 3 373.541 3.067 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)C1CCN(C)CC1 ZINC000295203040 498942121 /nfs/dbraw/zinc/94/21/21/498942121.db2.gz KKMUDWPCRFVXHZ-HXUWFJFHSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1)C1CCN(C)CC1 ZINC000295203040 498942128 /nfs/dbraw/zinc/94/21/28/498942128.db2.gz KKMUDWPCRFVXHZ-HXUWFJFHSA-N 1 3 359.558 3.200 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000363788814 498993840 /nfs/dbraw/zinc/99/38/40/498993840.db2.gz YCZJUKVZTNXMFM-ZWKOTPCHSA-N 1 3 369.557 3.152 20 0 FGADHO O=C([C@@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063303 506125147 /nfs/dbraw/zinc/12/51/47/506125147.db2.gz WZQCXCOKXYZREM-NHCUHLMSSA-N 1 3 355.526 3.062 20 0 FGADHO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000283906904 499011186 /nfs/dbraw/zinc/01/11/86/499011186.db2.gz IBHVLKJASOXVPS-UHFFFAOYSA-N 1 3 370.493 3.467 20 0 FGADHO C[NH+]1CCC(Oc2ccc(CNCc3cnn4ccccc34)cc2)CC1 ZINC000283921300 499013735 /nfs/dbraw/zinc/01/37/35/499013735.db2.gz ISYVVYCTABQHHB-UHFFFAOYSA-N 1 3 350.466 3.097 20 0 FGADHO COc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1 ZINC000284051806 499037734 /nfs/dbraw/zinc/03/77/34/499037734.db2.gz PKINEFJDXPCHRJ-UHFFFAOYSA-N 1 3 370.493 3.467 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358084 499094460 /nfs/dbraw/zinc/09/44/60/499094460.db2.gz NQJYXRYCQVOFKC-VLCRHTCISA-N 1 3 359.558 3.195 20 0 FGADHO CN(C)Cc1ccc(-c2noc(C3CC[NH+]([C@@H]4CCSC4)CC3)n2)cc1 ZINC000570294534 506135235 /nfs/dbraw/zinc/13/52/35/506135235.db2.gz SWYMLFAXDJRMBT-GOSISDBHSA-N 1 3 372.538 3.483 20 0 FGADHO CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000367040394 499138579 /nfs/dbraw/zinc/13/85/79/499138579.db2.gz IZJXIAGGZMCZPC-OAQYLSRUSA-N 1 3 372.557 3.138 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]CCCc3cnccc3C)cc2)CC1 ZINC000573166646 506133948 /nfs/dbraw/zinc/13/39/48/506133948.db2.gz CQPRPQBUXOHFJS-UHFFFAOYSA-N 1 3 366.553 3.250 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@H](C)O1 ZINC000372841099 499183006 /nfs/dbraw/zinc/18/30/06/499183006.db2.gz WXPPNJGKVJPYRD-HDICACEKSA-N 1 3 356.514 3.066 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@@H](CN3CCCCC3)C2)C1 ZINC000370286990 499206067 /nfs/dbraw/zinc/20/60/67/499206067.db2.gz AVHDUTNRYBGRSZ-LEWJYISDSA-N 1 3 369.553 3.347 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@@H](CN3CCCCC3)C2)C1 ZINC000370286990 499206069 /nfs/dbraw/zinc/20/60/69/499206069.db2.gz AVHDUTNRYBGRSZ-LEWJYISDSA-N 1 3 369.553 3.347 20 0 FGADHO Cc1ccccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884979 499241665 /nfs/dbraw/zinc/24/16/65/499241665.db2.gz JCWOCFBTZPNWHT-UHFFFAOYSA-N 1 3 352.482 3.177 20 0 FGADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007228 499254274 /nfs/dbraw/zinc/25/42/74/499254274.db2.gz PMZLKRGYDNOHTM-KKSFZXQISA-N 1 3 352.526 3.303 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000370844596 499261220 /nfs/dbraw/zinc/26/12/20/499261220.db2.gz DBUYYOSYXWLBGS-OAQYLSRUSA-N 1 3 371.569 3.383 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000370844596 499261222 /nfs/dbraw/zinc/26/12/22/499261222.db2.gz DBUYYOSYXWLBGS-OAQYLSRUSA-N 1 3 371.569 3.383 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361949 499288781 /nfs/dbraw/zinc/28/87/81/499288781.db2.gz DTNRBUJQBJLYMT-HKUYNNGSSA-N 1 3 366.509 3.338 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241530 499301482 /nfs/dbraw/zinc/30/14/82/499301482.db2.gz CRXKSABLTPNTSY-ZVDOUQERSA-N 1 3 373.516 3.028 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505031 499302982 /nfs/dbraw/zinc/30/29/82/499302982.db2.gz TYIPWITXDJVLLQ-PKTZIBPZSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CCN(C)CC1 ZINC000371589707 499345101 /nfs/dbraw/zinc/34/51/01/499345101.db2.gz VCRXYXKOFOINAZ-ROUUACIJSA-N 1 3 370.541 3.162 20 0 FGADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000371973033 499385569 /nfs/dbraw/zinc/38/55/69/499385569.db2.gz IAHLVXHTTHTNMY-PDGJWGCVSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000371973033 499385570 /nfs/dbraw/zinc/38/55/70/499385570.db2.gz IAHLVXHTTHTNMY-PDGJWGCVSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000371973033 499385571 /nfs/dbraw/zinc/38/55/71/499385571.db2.gz IAHLVXHTTHTNMY-PDGJWGCVSA-N 1 3 359.558 3.077 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@H](N)c1ccccc1 ZINC000372099330 499399114 /nfs/dbraw/zinc/39/91/14/499399114.db2.gz SZMMAGWYXRNEDC-OYSPMZIOSA-N 1 3 357.523 3.193 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)[C@H](N)c1ccccc1 ZINC000372099330 499399117 /nfs/dbraw/zinc/39/91/17/499399117.db2.gz SZMMAGWYXRNEDC-OYSPMZIOSA-N 1 3 357.523 3.193 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157255 499454295 /nfs/dbraw/zinc/45/42/95/499454295.db2.gz ZJERWQSOLDAMKE-LZQZEXGQSA-N 1 3 368.468 3.310 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157255 499454296 /nfs/dbraw/zinc/45/42/96/499454296.db2.gz ZJERWQSOLDAMKE-LZQZEXGQSA-N 1 3 368.468 3.310 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)c3cccc(C)c3)CC2)CC1 ZINC000573219136 506147184 /nfs/dbraw/zinc/14/71/84/506147184.db2.gz ZYIOIFDCYQTDMR-LJQANCHMSA-N 1 3 371.569 3.411 20 0 FGADHO C[C@H]1N(CCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497847 /nfs/dbraw/zinc/49/78/47/499497847.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1N(CCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497848 /nfs/dbraw/zinc/49/78/48/499497848.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1[N@H+](CCCN2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497850 /nfs/dbraw/zinc/49/78/50/499497850.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1[N@@H+](CCCN2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497852 /nfs/dbraw/zinc/49/78/52/499497852.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643771 499542089 /nfs/dbraw/zinc/54/20/89/499542089.db2.gz GBULNRXBMDNLFF-HLAWJBBLSA-N 1 3 354.494 3.069 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643771 499542091 /nfs/dbraw/zinc/54/20/91/499542091.db2.gz GBULNRXBMDNLFF-HLAWJBBLSA-N 1 3 354.494 3.069 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626611 499542430 /nfs/dbraw/zinc/54/24/30/499542430.db2.gz MEOAFJBDLVVUMG-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626611 499542432 /nfs/dbraw/zinc/54/24/32/499542432.db2.gz MEOAFJBDLVVUMG-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740232 499550552 /nfs/dbraw/zinc/55/05/52/499550552.db2.gz FDHFDYHZRHAOBL-HLVDAAOLSA-N 1 3 350.453 3.457 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740232 499550554 /nfs/dbraw/zinc/55/05/54/499550554.db2.gz FDHFDYHZRHAOBL-HLVDAAOLSA-N 1 3 350.453 3.457 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccccc1F ZINC000398001313 499565650 /nfs/dbraw/zinc/56/56/50/499565650.db2.gz WEAWWFCPBMUIQM-QFUCXCTJSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccccc1F ZINC000398001313 499565652 /nfs/dbraw/zinc/56/56/52/499565652.db2.gz WEAWWFCPBMUIQM-QFUCXCTJSA-N 1 3 372.484 3.066 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000377127158 499664442 /nfs/dbraw/zinc/66/44/42/499664442.db2.gz LZAGHTYODVPIHW-DUXKGJEZSA-N 1 3 361.574 3.268 20 0 FGADHO COC[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000377741912 499727250 /nfs/dbraw/zinc/72/72/50/499727250.db2.gz XDNQMJAOJYITLK-IFMALSPDSA-N 1 3 360.542 3.320 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000411363565 499729612 /nfs/dbraw/zinc/72/96/12/499729612.db2.gz KCPSKWQRJHNEIZ-UHFFFAOYSA-N 1 3 361.505 3.174 20 0 FGADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000414128433 499762923 /nfs/dbraw/zinc/76/29/23/499762923.db2.gz RZAWVNUSZXVOGI-BAGYTPMASA-N 1 3 352.526 3.243 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414168861 499765403 /nfs/dbraw/zinc/76/54/03/499765403.db2.gz VAJQIEIYROLPOE-OALUTQOASA-N 1 3 363.546 3.484 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199809 499768228 /nfs/dbraw/zinc/76/82/28/499768228.db2.gz RLEQLFSENOIBMS-VXKWHMMOSA-N 1 3 371.569 3.099 20 0 FGADHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000414308995 499776386 /nfs/dbraw/zinc/77/63/86/499776386.db2.gz REMOHPAIIGOSQL-MRXNPFEDSA-N 1 3 359.901 3.413 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000414335003 499778562 /nfs/dbraw/zinc/77/85/62/499778562.db2.gz HBCDTJXIQHXTGB-SFTDATJTSA-N 1 3 355.526 3.052 20 0 FGADHO CCc1cc(N2CCC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000414351244 499780074 /nfs/dbraw/zinc/78/00/74/499780074.db2.gz MXBSPDAPWDFAGE-FQEVSTJZSA-N 1 3 371.573 3.395 20 0 FGADHO CCc1cc(N2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)ncn1 ZINC000414351244 499780075 /nfs/dbraw/zinc/78/00/75/499780075.db2.gz MXBSPDAPWDFAGE-FQEVSTJZSA-N 1 3 371.573 3.395 20 0 FGADHO O[C@H]([C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798837 499791885 /nfs/dbraw/zinc/79/18/85/499791885.db2.gz JQANEXUZYYQDHC-ZWKOTPCHSA-N 1 3 356.432 3.418 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000414443654 499792997 /nfs/dbraw/zinc/79/29/97/499792997.db2.gz ODRMYFPYIRSFAT-SFHVURJKSA-N 1 3 356.489 3.484 20 0 FGADHO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414549487 499806812 /nfs/dbraw/zinc/80/68/12/499806812.db2.gz ASDIYKSUHWCEJF-UTKZUKDTSA-N 1 3 357.542 3.300 20 0 FGADHO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414549489 499807047 /nfs/dbraw/zinc/80/70/47/499807047.db2.gz ASDIYKSUHWCEJF-UWJYYQICSA-N 1 3 357.542 3.300 20 0 FGADHO Cc1cccc(CC[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)c1 ZINC000414552793 499807701 /nfs/dbraw/zinc/80/77/01/499807701.db2.gz HNJHIXTXWTULFR-UHFFFAOYSA-N 1 3 365.521 3.025 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674614 499819379 /nfs/dbraw/zinc/81/93/79/499819379.db2.gz KVBZWGSZNJRDJR-SFHVURJKSA-N 1 3 351.494 3.002 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674614 499819381 /nfs/dbraw/zinc/81/93/81/499819381.db2.gz KVBZWGSZNJRDJR-SFHVURJKSA-N 1 3 351.494 3.002 20 0 FGADHO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414729911 499823849 /nfs/dbraw/zinc/82/38/49/499823849.db2.gz GBTWGHAQMKRRMB-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000414778128 499829910 /nfs/dbraw/zinc/82/99/10/499829910.db2.gz GFPSHYFOWRZYIL-MJGOQNOKSA-N 1 3 360.889 3.058 20 0 FGADHO Cc1cc(Br)cn2c(CN[C@@H]3CCCC[C@@H]3C[NH3+])cnc12 ZINC000414796803 499832056 /nfs/dbraw/zinc/83/20/56/499832056.db2.gz IASAGBFYIQHQKZ-IUODEOHRSA-N 1 3 351.292 3.012 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414812153 499833676 /nfs/dbraw/zinc/83/36/76/499833676.db2.gz WXUDFNZWSBOVSX-XJKCOSOUSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414812153 499833679 /nfs/dbraw/zinc/83/36/79/499833679.db2.gz WXUDFNZWSBOVSX-XJKCOSOUSA-N 1 3 368.319 3.273 20 0 FGADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813850 499833691 /nfs/dbraw/zinc/83/36/91/499833691.db2.gz MZSIJLZCSXZPPD-WFASDCNBSA-N 1 3 356.308 3.273 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414859492 499838822 /nfs/dbraw/zinc/83/88/22/499838822.db2.gz MWRIUAQXGYGFLQ-HNNXBMFYSA-N 1 3 363.502 3.062 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCNCc2cccnc2)CCN1Cc1ccccc1 ZINC000414882918 499841029 /nfs/dbraw/zinc/84/10/29/499841029.db2.gz SNTZURXPEWJGKC-KNQAVFIVSA-N 1 3 352.526 3.204 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906086 499843662 /nfs/dbraw/zinc/84/36/62/499843662.db2.gz LZEWMCSCZDDHTR-SUMWQHHRSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906086 499843665 /nfs/dbraw/zinc/84/36/65/499843665.db2.gz LZEWMCSCZDDHTR-SUMWQHHRSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@]1(C)CCC[NH2+]C1 ZINC000414919525 499844472 /nfs/dbraw/zinc/84/44/72/499844472.db2.gz XGLQGKHTABGZTR-DNVCBOLYSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919525 499844475 /nfs/dbraw/zinc/84/44/75/499844475.db2.gz XGLQGKHTABGZTR-DNVCBOLYSA-N 1 3 351.922 3.056 20 0 FGADHO O=C1CCCN1Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415077413 499861120 /nfs/dbraw/zinc/86/11/20/499861120.db2.gz FBGCJYXEGZYWKD-FCHUYYIVSA-N 1 3 363.505 3.392 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077704 499861179 /nfs/dbraw/zinc/86/11/79/499861179.db2.gz HWPKJANFUIFPRC-AEFFLSMTSA-N 1 3 361.505 3.331 20 0 FGADHO C[C@@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133352 499868378 /nfs/dbraw/zinc/86/83/78/499868378.db2.gz VBXYAQQZSQMUOW-UKRRQHHQSA-N 1 3 352.404 3.308 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(c2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413188809 499924513 /nfs/dbraw/zinc/92/45/13/499924513.db2.gz XWBLHTIHEFOASC-MRXNPFEDSA-N 1 3 373.497 3.189 20 0 FGADHO COc1cc2nccc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2cc1OC ZINC000413204988 499926445 /nfs/dbraw/zinc/92/64/45/499926445.db2.gz PCSPYGDALLFTAF-MRXNPFEDSA-N 1 3 355.482 3.420 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000415905506 499926614 /nfs/dbraw/zinc/92/66/14/499926614.db2.gz UXTPOSMMGWYYMW-SFHVURJKSA-N 1 3 366.509 3.392 20 0 FGADHO CC[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)N1CCc2ccccc2C1 ZINC000415907062 499926932 /nfs/dbraw/zinc/92/69/32/499926932.db2.gz ZLQOLQZLWPMGSF-HXUWFJFHSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000415927768 499929437 /nfs/dbraw/zinc/92/94/37/499929437.db2.gz WUXNMRHKCXJLJP-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415941605 499931364 /nfs/dbraw/zinc/93/13/64/499931364.db2.gz XDIZHAVSTPNCNT-UHFFFAOYSA-N 1 3 370.497 3.140 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000415944238 499931403 /nfs/dbraw/zinc/93/14/03/499931403.db2.gz OHJOADFXYIGWKC-IBGZPJMESA-N 1 3 352.482 3.192 20 0 FGADHO NCc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415960038 499933681 /nfs/dbraw/zinc/93/36/81/499933681.db2.gz AORLOLOJNKPACB-UHFFFAOYSA-N 1 3 370.419 3.256 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415960256 499933730 /nfs/dbraw/zinc/93/37/30/499933730.db2.gz PUXXOTHAWOMGHU-FQEVSTJZSA-N 1 3 370.497 3.357 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979738 499936821 /nfs/dbraw/zinc/93/68/21/499936821.db2.gz XUIOOOVPVQVPAV-RHSMWYFYSA-N 1 3 372.469 3.013 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH2+]C)cc2)N(C)C)cc1 ZINC000415993081 499938618 /nfs/dbraw/zinc/93/86/18/499938618.db2.gz SLDIRUCEAQPOOB-HXUWFJFHSA-N 1 3 354.498 3.393 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1CCN(C)CC1 ZINC000573300735 506165841 /nfs/dbraw/zinc/16/58/41/506165841.db2.gz MVFIXYCHEHEGIQ-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)CC(C)C ZINC000570438146 506167892 /nfs/dbraw/zinc/16/78/92/506167892.db2.gz RVZZYTWWHFUUJL-HKUYNNGSSA-N 1 3 354.583 3.115 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417318973 500038822 /nfs/dbraw/zinc/03/88/22/500038822.db2.gz ZYAMTVQJOBSTKO-AYOQOUSVSA-N 1 3 371.550 3.321 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000417356882 500047421 /nfs/dbraw/zinc/04/74/21/500047421.db2.gz QMOFFSRXEAODEX-WOJBJXKFSA-N 1 3 360.546 3.147 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537155 500100463 /nfs/dbraw/zinc/10/04/63/500100463.db2.gz CPKXFPHIKWNIOF-XLIONFOSSA-N 1 3 360.546 3.229 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537155 500100466 /nfs/dbraw/zinc/10/04/66/500100466.db2.gz CPKXFPHIKWNIOF-XLIONFOSSA-N 1 3 360.546 3.229 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000416840301 500135268 /nfs/dbraw/zinc/13/52/68/500135268.db2.gz LATJGJBAYAIWFW-MAUKXSAKSA-N 1 3 372.538 3.404 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000417644544 500136069 /nfs/dbraw/zinc/13/60/69/500136069.db2.gz AJPUHKOZRFJMOM-LAUBAEHRSA-N 1 3 366.509 3.170 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000416847221 500137143 /nfs/dbraw/zinc/13/71/43/500137143.db2.gz UYQBVCCFEVPJIW-IERDGZPVSA-N 1 3 368.525 3.371 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417686445 500148780 /nfs/dbraw/zinc/14/87/80/500148780.db2.gz GLIZCQNMWRQUDV-ZIFCJYIRSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417698273 500150942 /nfs/dbraw/zinc/15/09/42/500150942.db2.gz XGYTVFSLPJZXSZ-JXFKEZNVSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@@H](CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000582297291 506179871 /nfs/dbraw/zinc/17/98/71/506179871.db2.gz ZQONTFBMQYLEFP-YJBOKZPZSA-N 1 3 358.448 3.463 20 0 FGADHO C[C@H](C[NH3+])N(C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000417826114 500179860 /nfs/dbraw/zinc/17/98/60/500179860.db2.gz MHMWGQZPWVWXBO-LJQANCHMSA-N 1 3 368.525 3.068 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417843636 500182513 /nfs/dbraw/zinc/18/25/13/500182513.db2.gz QVEGVOIPQSECDR-YSIASYRMSA-N 1 3 360.546 3.054 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843037 500182783 /nfs/dbraw/zinc/18/27/83/500182783.db2.gz QDEREZIVFKRAMQ-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417984127 500209354 /nfs/dbraw/zinc/20/93/54/500209354.db2.gz OMGCILFJCWKMGD-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017106 500214824 /nfs/dbraw/zinc/21/48/24/500214824.db2.gz RZMWDELSLZMSMY-LLGFUMIMSA-N 1 3 366.509 3.026 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000418035358 500217519 /nfs/dbraw/zinc/21/75/19/500217519.db2.gz AIWOALXENFQUEU-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000579470267 506183033 /nfs/dbraw/zinc/18/30/33/506183033.db2.gz CFJLPSMUIMLTTP-DYESRHJHSA-N 1 3 366.509 3.203 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418156872 500238802 /nfs/dbraw/zinc/23/88/02/500238802.db2.gz NUDDEDGIHRBRJJ-AQNXPRMDSA-N 1 3 372.557 3.104 20 0 FGADHO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000418175986 500242908 /nfs/dbraw/zinc/24/29/08/500242908.db2.gz GNDRHSKTYGPAAA-FXAWDEMLSA-N 1 3 360.546 3.228 20 0 FGADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572083 500256642 /nfs/dbraw/zinc/25/66/42/500256642.db2.gz NFDSQJWCLLJYET-ZWKOTPCHSA-N 1 3 371.569 3.453 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288633 500256961 /nfs/dbraw/zinc/25/69/61/500256961.db2.gz KIOLDJJFSHMMLN-BJLQDIEVSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288633 500256964 /nfs/dbraw/zinc/25/69/64/500256964.db2.gz KIOLDJJFSHMMLN-BJLQDIEVSA-N 1 3 363.521 3.131 20 0 FGADHO CC(C)c1nnc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)s1 ZINC000426295043 500257808 /nfs/dbraw/zinc/25/78/08/500257808.db2.gz LMTDINLGCMGRNP-HNNXBMFYSA-N 1 3 362.543 3.495 20 0 FGADHO CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418308491 500260802 /nfs/dbraw/zinc/26/08/02/500260802.db2.gz BTNCTBOGGKXYQN-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321782 500261860 /nfs/dbraw/zinc/26/18/60/500261860.db2.gz CQOAGGMKEMQPHB-LEWJYISDSA-N 1 3 372.557 3.183 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418350122 500266718 /nfs/dbraw/zinc/26/67/18/500266718.db2.gz QPVDRDFTONZCDT-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418422198 500273962 /nfs/dbraw/zinc/27/39/62/500273962.db2.gz COOYPFCVOZWEBV-IFMALSPDSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000418461499 500280206 /nfs/dbraw/zinc/28/02/06/500280206.db2.gz LXXUHFLVQJMJOX-SFHVURJKSA-N 1 3 368.525 3.288 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCCN1 ZINC000422701818 500287402 /nfs/dbraw/zinc/28/74/02/500287402.db2.gz CPHKCXGHOHIXFJ-YCPHGPKFSA-N 1 3 352.320 3.148 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715715 500289605 /nfs/dbraw/zinc/28/96/05/500289605.db2.gz MLPYAEXCMWOQLH-UYAOXDASSA-N 1 3 370.472 3.260 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430840399 500294621 /nfs/dbraw/zinc/29/46/21/500294621.db2.gz RQMJTRPDMZNZMU-HXUWFJFHSA-N 1 3 364.493 3.023 20 0 FGADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422756783 500294670 /nfs/dbraw/zinc/29/46/70/500294670.db2.gz IAMCQOODBFTMHQ-YLFCFFPRSA-N 1 3 365.468 3.377 20 0 FGADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789322 500297960 /nfs/dbraw/zinc/29/79/60/500297960.db2.gz OBFQIYAXICTEKD-NJDAHSKKSA-N 1 3 356.489 3.454 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791274 500298447 /nfs/dbraw/zinc/29/84/47/500298447.db2.gz QBYUYANLEGKBBJ-FYINFDKHSA-N 1 3 356.441 3.439 20 0 FGADHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422812234 500301423 /nfs/dbraw/zinc/30/14/23/500301423.db2.gz QGNGTDDFFSIENA-LLVKDONJSA-N 1 3 351.397 3.310 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000422837643 500304093 /nfs/dbraw/zinc/30/40/93/500304093.db2.gz MQTFMTLELFSHGW-RXVVDRJESA-N 1 3 359.558 3.044 20 0 FGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884059 500310471 /nfs/dbraw/zinc/31/04/71/500310471.db2.gz RNHZPLHZZFXWIG-SFTDATJTSA-N 1 3 367.493 3.454 20 0 FGADHO CCN1CCN(Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890200 500311545 /nfs/dbraw/zinc/31/15/45/500311545.db2.gz HWPRIONNFJTZJG-XZOQPEGZSA-N 1 3 364.537 3.059 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898229 500312972 /nfs/dbraw/zinc/31/29/72/500312972.db2.gz DSWBKWMJTKVGBC-LUYZLQTOSA-N 1 3 373.324 3.243 20 0 FGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422897116 500313202 /nfs/dbraw/zinc/31/32/02/500313202.db2.gz JAIFLMMYAHNRAO-FGTMMUONSA-N 1 3 352.906 3.164 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901122 500313945 /nfs/dbraw/zinc/31/39/45/500313945.db2.gz BQRFPIKUVIHDBO-JMUQELJHSA-N 1 3 365.521 3.352 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000423218782 500356127 /nfs/dbraw/zinc/35/61/27/500356127.db2.gz WBJFOMHALRYLTK-HIFRSBDPSA-N 1 3 372.294 3.202 20 0 FGADHO c1sc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913806 500316412 /nfs/dbraw/zinc/31/64/12/500316412.db2.gz QTKYNOKHFFLKSP-OKZBNKHCSA-N 1 3 363.571 3.480 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000422916527 500316512 /nfs/dbraw/zinc/31/65/12/500316512.db2.gz DJQJYNJRJCFZNJ-PXNSSMCTSA-N 1 3 372.557 3.107 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934732 500318902 /nfs/dbraw/zinc/31/89/02/500318902.db2.gz DAFPPAFJENLFOJ-KBPBESRZSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000422934732 500318905 /nfs/dbraw/zinc/31/89/05/500318905.db2.gz DAFPPAFJENLFOJ-KBPBESRZSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935758 500319632 /nfs/dbraw/zinc/31/96/32/500319632.db2.gz DNTAHOLZEPLUKC-RYUDHWBXSA-N 1 3 357.292 3.388 20 0 FGADHO Fc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960782 500323939 /nfs/dbraw/zinc/32/39/39/500323939.db2.gz XRTGZZXPSFVZLV-ICSRJNTNSA-N 1 3 360.404 3.189 20 0 FGADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1COc2ccccc21 ZINC000423004663 500329555 /nfs/dbraw/zinc/32/95/55/500329555.db2.gz POLLXESDAANQKA-KBZIOIMTSA-N 1 3 350.462 3.397 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017883 500331549 /nfs/dbraw/zinc/33/15/49/500331549.db2.gz XGHRLUXELGQEAW-JCURWCKSSA-N 1 3 365.930 3.348 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426927792 500337264 /nfs/dbraw/zinc/33/72/64/500337264.db2.gz WGCOCEQILPBHHP-UHFFFAOYSA-N 1 3 372.557 3.269 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423068948 500337899 /nfs/dbraw/zinc/33/78/99/500337899.db2.gz AJFHKAQSVRDIPW-BWAGFHJFSA-N 1 3 369.578 3.152 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423068948 500337900 /nfs/dbraw/zinc/33/79/00/500337900.db2.gz AJFHKAQSVRDIPW-BWAGFHJFSA-N 1 3 369.578 3.152 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071245 500338478 /nfs/dbraw/zinc/33/84/78/500338478.db2.gz HOQYUOLCSNTJOS-PSOPSSQASA-N 1 3 356.297 3.359 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)c2)n1 ZINC000423072734 500338769 /nfs/dbraw/zinc/33/87/69/500338769.db2.gz JSAGGRIUAZWLCK-XJKSGUPXSA-N 1 3 359.495 3.074 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099358 500341738 /nfs/dbraw/zinc/34/17/38/500341738.db2.gz TXOVNJBBLDNXKP-TVQRCGJNSA-N 1 3 369.225 3.218 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099532 500341879 /nfs/dbraw/zinc/34/18/79/500341879.db2.gz FJKZHMAKFYXQET-ZQEOTTOMSA-N 1 3 352.906 3.150 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101498 500342770 /nfs/dbraw/zinc/34/27/70/500342770.db2.gz IYLILIVNMLWSGZ-VXKWHMMOSA-N 1 3 351.494 3.394 20 0 FGADHO CC(C)OCCOC1CCN([C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154089 500348928 /nfs/dbraw/zinc/34/89/28/500348928.db2.gz IQXNSLFVRIAATG-UNMCSNQZSA-N 1 3 374.525 3.148 20 0 FGADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166018 500350794 /nfs/dbraw/zinc/35/07/94/500350794.db2.gz YXYXCXIQOCYKMB-RCZSKKKRSA-N 1 3 352.478 3.090 20 0 FGADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293388 500361942 /nfs/dbraw/zinc/36/19/42/500361942.db2.gz RETMEJBPMNJLMW-OXJNMPFZSA-N 1 3 369.509 3.414 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197396 500365601 /nfs/dbraw/zinc/36/56/01/500365601.db2.gz CPNOXWGZCBBILI-QUCCMNQESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423409057 500371944 /nfs/dbraw/zinc/37/19/44/500371944.db2.gz BHNLUVZRXNKTOU-FIKGOQFSSA-N 1 3 351.494 3.347 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000423444107 500375572 /nfs/dbraw/zinc/37/55/72/500375572.db2.gz WMOPCAOCUGTMFN-MSOLQXFVSA-N 1 3 351.494 3.443 20 0 FGADHO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000427324015 500381458 /nfs/dbraw/zinc/38/14/58/500381458.db2.gz JWSCMUZSONLGBZ-GOSISDBHSA-N 1 3 359.514 3.188 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528898 500383037 /nfs/dbraw/zinc/38/30/37/500383037.db2.gz OZYJBFUTKMGWQH-XMYZRKPFSA-N 1 3 359.489 3.286 20 0 FGADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423742594 500398127 /nfs/dbraw/zinc/39/81/27/500398127.db2.gz JCEYSQQUKRKNPB-NHCUHLMSSA-N 1 3 357.542 3.061 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccccc1CC[NH2+]C ZINC000423744938 500398223 /nfs/dbraw/zinc/39/82/23/500398223.db2.gz OVXMITXGKBTCRV-UHFFFAOYSA-N 1 3 353.510 3.172 20 0 FGADHO C[NH+](C)[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000431621260 500399598 /nfs/dbraw/zinc/39/95/98/500399598.db2.gz LPUPFFBWOMWAFP-JOCHJYFZSA-N 1 3 365.521 3.414 20 0 FGADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423777838 500400750 /nfs/dbraw/zinc/40/07/50/500400750.db2.gz SJKBNBYPWCOZAT-GDIGMMSISA-N 1 3 359.901 3.395 20 0 FGADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000423775034 500400886 /nfs/dbraw/zinc/40/08/86/500400886.db2.gz OKXIRNYWGYKYQR-HFTRVMKXSA-N 1 3 351.922 3.085 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2NCCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910741 500418491 /nfs/dbraw/zinc/41/84/91/500418491.db2.gz VERFXEGEKXWINU-YZGWKJHDSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2NCCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910741 500418493 /nfs/dbraw/zinc/41/84/93/500418493.db2.gz VERFXEGEKXWINU-YZGWKJHDSA-N 1 3 357.542 3.182 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845532 500433367 /nfs/dbraw/zinc/43/33/67/500433367.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 1 3 359.558 3.259 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431845532 500433369 /nfs/dbraw/zinc/43/33/69/500433369.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 1 3 359.558 3.259 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420297887 500436066 /nfs/dbraw/zinc/43/60/66/500436066.db2.gz DTHKXXYTMPSQRA-WBMJQRKESA-N 1 3 356.297 3.396 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@@H]2c2ccccc2Cl)cc1 ZINC000420310614 500439111 /nfs/dbraw/zinc/43/91/11/500439111.db2.gz MMYRZOCLMINPLZ-OXQOHEQNSA-N 1 3 359.901 3.037 20 0 FGADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000427884787 500442639 /nfs/dbraw/zinc/44/26/39/500442639.db2.gz HEESBUKEVJTIPN-BURNTYAHSA-N 1 3 350.510 3.088 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337936 500443913 /nfs/dbraw/zinc/44/39/13/500443913.db2.gz XLOPQOAHUQJNPL-DZGCQCFKSA-N 1 3 358.404 3.334 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345365 500445413 /nfs/dbraw/zinc/44/54/13/500445413.db2.gz VYZZWCUXHXDANP-FQEVSTJZSA-N 1 3 357.542 3.278 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414061 500457673 /nfs/dbraw/zinc/45/76/73/500457673.db2.gz UFYTZMNLDXOYLD-XPGWFJOJSA-N 1 3 362.420 3.136 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414061 500457675 /nfs/dbraw/zinc/45/76/75/500457675.db2.gz UFYTZMNLDXOYLD-XPGWFJOJSA-N 1 3 362.420 3.136 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000424244322 500474533 /nfs/dbraw/zinc/47/45/33/500474533.db2.gz QYNNTCVNGKELIH-SFHVURJKSA-N 1 3 355.457 3.444 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288086 500481955 /nfs/dbraw/zinc/48/19/55/500481955.db2.gz KCTRYLXNUUNCGL-MSOLQXFVSA-N 1 3 365.521 3.481 20 0 FGADHO C[C@H]1CC2(CN1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298992 500483071 /nfs/dbraw/zinc/48/30/71/500483071.db2.gz VFRBTFJCMVHQNJ-AWEZNQCLSA-N 1 3 350.890 3.465 20 0 FGADHO COc1ccc(Br)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298161 500483434 /nfs/dbraw/zinc/48/34/34/500483434.db2.gz TZKPNZVGDSOYTR-ZDUSSCGKSA-N 1 3 353.304 3.422 20 0 FGADHO CN(C)CC[NH+]1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000432249738 500488952 /nfs/dbraw/zinc/48/89/52/500488952.db2.gz GVOUBOWGXOYPBR-UHFFFAOYSA-N 1 3 350.359 3.418 20 0 FGADHO COc1cc(Br)ccc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432350906 500503151 /nfs/dbraw/zinc/50/31/51/500503151.db2.gz GNAJZGUKORKYHG-AWEZNQCLSA-N 1 3 371.319 3.048 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000424439139 500505925 /nfs/dbraw/zinc/50/59/25/500505925.db2.gz REWNTOFNAUQFBB-OXJNMPFZSA-N 1 3 352.482 3.238 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N2CCCC2)cc1 ZINC000420911541 500528199 /nfs/dbraw/zinc/52/81/99/500528199.db2.gz YFISISQDWIUPDJ-XVAXZDLZSA-N 1 3 372.557 3.304 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000420986463 500548539 /nfs/dbraw/zinc/54/85/39/500548539.db2.gz YMSNPJICMDNRPR-UHFFFAOYSA-N 1 3 371.569 3.392 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565376 /nfs/dbraw/zinc/56/53/76/500565376.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 1 3 369.553 3.135 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565379 /nfs/dbraw/zinc/56/53/79/500565379.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 1 3 369.553 3.135 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720239 500614156 /nfs/dbraw/zinc/61/41/56/500614156.db2.gz SUGGKYGNOZDCMA-HXUWFJFHSA-N 1 3 374.532 3.172 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442864312 500636376 /nfs/dbraw/zinc/63/63/76/500636376.db2.gz CMFRJUFMZHRXRR-OAHLLOKOSA-N 1 3 373.570 3.190 20 0 FGADHO CSc1ccccc1[C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442870621 500636868 /nfs/dbraw/zinc/63/68/68/500636868.db2.gz GHVIDIUGXXKXDH-RDJZCZTQSA-N 1 3 351.560 3.152 20 0 FGADHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928525 500648453 /nfs/dbraw/zinc/64/84/53/500648453.db2.gz PPDAQOLJTQKBAA-KRWDZBQOSA-N 1 3 355.482 3.230 20 0 FGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000570663919 506211658 /nfs/dbraw/zinc/21/16/58/506211658.db2.gz SCBNDRDEYVIOHB-XRMLZUONSA-N 1 3 366.296 3.180 20 0 FGADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058653 500670735 /nfs/dbraw/zinc/67/07/35/500670735.db2.gz KWOQZIGIDVLUKD-RXVVDRJESA-N 1 3 373.541 3.200 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064952 500672400 /nfs/dbraw/zinc/67/24/00/500672400.db2.gz ZCJTZXWZRQBSIT-UNMCSNQZSA-N 1 3 365.521 3.147 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000570682996 506213583 /nfs/dbraw/zinc/21/35/83/506213583.db2.gz WSMQTYFUMIGIDI-ZDUSSCGKSA-N 1 3 361.873 3.314 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000438051474 500731553 /nfs/dbraw/zinc/73/15/53/500731553.db2.gz QWQWSTPOKCDBSC-SJLPKXTDSA-N 1 3 362.518 3.011 20 0 FGADHO Cc1ccccc1OC[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443588243 500742715 /nfs/dbraw/zinc/74/27/15/500742715.db2.gz HYEVAUFDUXYLAY-NRFANRHFSA-N 1 3 360.542 3.323 20 0 FGADHO CCCN1CCN(c2ccccc2CN(C)CC2([NH+](C)C)CCC2)CC1 ZINC000438483449 500790938 /nfs/dbraw/zinc/79/09/38/500790938.db2.gz DHFQRGITAGJHQD-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660294 506219262 /nfs/dbraw/zinc/21/92/62/506219262.db2.gz DVQKBLGEIRCFQL-KNKQGSTJSA-N 1 3 371.569 3.128 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660294 506219268 /nfs/dbraw/zinc/21/92/68/506219268.db2.gz DVQKBLGEIRCFQL-KNKQGSTJSA-N 1 3 371.569 3.128 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000448834678 500847393 /nfs/dbraw/zinc/84/73/93/500847393.db2.gz JZIUWSYTDARNCX-FCHUYYIVSA-N 1 3 369.553 3.245 20 0 FGADHO COc1cccc2c(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cccc12 ZINC000449036096 500907564 /nfs/dbraw/zinc/90/75/64/500907564.db2.gz ITDSQXBZDHQPNQ-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058826 500913569 /nfs/dbraw/zinc/91/35/69/500913569.db2.gz MHFGMWSDTDRNMP-REWPJTCUSA-N 1 3 373.585 3.028 20 0 FGADHO CC(C)CN1CCO[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058826 500913573 /nfs/dbraw/zinc/91/35/73/500913573.db2.gz MHFGMWSDTDRNMP-REWPJTCUSA-N 1 3 373.585 3.028 20 0 FGADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145484 500934675 /nfs/dbraw/zinc/93/46/75/500934675.db2.gz LKQHEMSJLBPTMY-RTWAWAEBSA-N 1 3 357.542 3.442 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125879 500936302 /nfs/dbraw/zinc/93/63/02/500936302.db2.gz HJFCTQITBYHZPA-UHFFFAOYSA-N 1 3 360.502 3.240 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125879 500936305 /nfs/dbraw/zinc/93/63/05/500936305.db2.gz HJFCTQITBYHZPA-UHFFFAOYSA-N 1 3 360.502 3.240 20 0 FGADHO C[C@@H](CNCC[C@@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239140 500955531 /nfs/dbraw/zinc/95/55/31/500955531.db2.gz IEPAQJXQEBKCDU-DLBZAZTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](C[NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239140 500955534 /nfs/dbraw/zinc/95/55/34/500955534.db2.gz IEPAQJXQEBKCDU-DLBZAZTESA-N 1 3 352.544 3.048 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379802 500963544 /nfs/dbraw/zinc/96/35/44/500963544.db2.gz NNTYZXGIDJXNMW-WMQCIHAUSA-N 1 3 365.477 3.117 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2C)cc1 ZINC000435385433 500965099 /nfs/dbraw/zinc/96/50/99/500965099.db2.gz QBZKQTJJEGJGDR-BWAGFHJFSA-N 1 3 368.525 3.116 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCCO[C@@H](C)C2)CC1 ZINC000449283369 500965807 /nfs/dbraw/zinc/96/58/07/500965807.db2.gz LMOLOPMQHQPPQT-SFTDATJTSA-N 1 3 373.585 3.173 20 0 FGADHO C[NH2+]CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435393793 500967723 /nfs/dbraw/zinc/96/77/23/500967723.db2.gz IOZVAVHNSBUIJM-UHFFFAOYSA-N 1 3 361.493 3.366 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449681990 501061637 /nfs/dbraw/zinc/06/16/37/501061637.db2.gz FOFMGLURMKCNJK-JOCHJYFZSA-N 1 3 357.542 3.221 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449681990 501061640 /nfs/dbraw/zinc/06/16/40/501061640.db2.gz FOFMGLURMKCNJK-JOCHJYFZSA-N 1 3 357.542 3.221 20 0 FGADHO CN(c1ccccc1CN1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000449781600 501084860 /nfs/dbraw/zinc/08/48/60/501084860.db2.gz ISQDUEZXODJSPD-CTNGQTDRSA-N 1 3 357.542 3.074 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436273214 501099330 /nfs/dbraw/zinc/09/93/30/501099330.db2.gz ISUIHZPSIGNFTI-UHFFFAOYSA-N 1 3 366.484 3.344 20 0 FGADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1Oc1cccnc1 ZINC000441329741 501121369 /nfs/dbraw/zinc/12/13/69/501121369.db2.gz DFCFEHKBIYGVQW-UHFFFAOYSA-N 1 3 368.525 3.298 20 0 FGADHO CCc1ccc2nccc(N3CCC([NH+](CCOC)CCOC)CC3)c2c1 ZINC000450527592 501145432 /nfs/dbraw/zinc/14/54/32/501145432.db2.gz ZYQRQNTZRZECSX-UHFFFAOYSA-N 1 3 371.525 3.361 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640438 501173284 /nfs/dbraw/zinc/17/32/84/501173284.db2.gz MDPJSPKMELDCSK-GCJKJVERSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640438 501173286 /nfs/dbraw/zinc/17/32/86/501173286.db2.gz MDPJSPKMELDCSK-GCJKJVERSA-N 1 3 353.510 3.394 20 0 FGADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000450715823 501192753 /nfs/dbraw/zinc/19/27/53/501192753.db2.gz XQDPNFHCDUHACA-OAQYLSRUSA-N 1 3 351.579 3.074 20 0 FGADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CCCN2CCOCC2)CC1 ZINC000450715823 501192755 /nfs/dbraw/zinc/19/27/55/501192755.db2.gz XQDPNFHCDUHACA-OAQYLSRUSA-N 1 3 351.579 3.074 20 0 FGADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CCCN2CCOCC2)CC1 ZINC000450715823 501192758 /nfs/dbraw/zinc/19/27/58/501192758.db2.gz XQDPNFHCDUHACA-OAQYLSRUSA-N 1 3 351.579 3.074 20 0 FGADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CO2 ZINC000453104263 501269516 /nfs/dbraw/zinc/26/95/16/501269516.db2.gz FLTVFKKPNOXVBP-TZIWHRDSSA-N 1 3 366.505 3.153 20 0 FGADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110746 501270799 /nfs/dbraw/zinc/27/07/99/501270799.db2.gz OIMCPZDARSPLHT-FCHUYYIVSA-N 1 3 369.553 3.442 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287831 501309094 /nfs/dbraw/zinc/30/90/94/501309094.db2.gz OPVYVFPJKFRCQT-GOEBONIOSA-N 1 3 359.436 3.327 20 0 FGADHO C[N@H+](CCCCNCc1cn2ccc(Br)cc2n1)C1CC1 ZINC000453596426 501357304 /nfs/dbraw/zinc/35/73/04/501357304.db2.gz LEGZDKPQNDETAE-UHFFFAOYSA-N 1 3 351.292 3.061 20 0 FGADHO C[N@@H+](CCCCNCc1cn2ccc(Br)cc2n1)C1CC1 ZINC000453596426 501357308 /nfs/dbraw/zinc/35/73/08/501357308.db2.gz LEGZDKPQNDETAE-UHFFFAOYSA-N 1 3 351.292 3.061 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681550 501363855 /nfs/dbraw/zinc/36/38/55/501363855.db2.gz PTXIALATWCUZBQ-LJQANCHMSA-N 1 3 373.545 3.229 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681550 501363858 /nfs/dbraw/zinc/36/38/58/501363858.db2.gz PTXIALATWCUZBQ-LJQANCHMSA-N 1 3 373.545 3.229 20 0 FGADHO CN1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)C1 ZINC000455864515 501402408 /nfs/dbraw/zinc/40/24/08/501402408.db2.gz SYYXJAJUFQVAGU-FPOVZHCZSA-N 1 3 356.514 3.185 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000456333550 501501054 /nfs/dbraw/zinc/50/10/54/501501054.db2.gz LQUXPVTUQPESDY-LJQANCHMSA-N 1 3 365.521 3.342 20 0 FGADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000454465997 501552102 /nfs/dbraw/zinc/55/21/02/501552102.db2.gz XIRFNJJASOIPIN-GOSISDBHSA-N 1 3 352.567 3.059 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000458934977 501561849 /nfs/dbraw/zinc/56/18/49/501561849.db2.gz LATATGUWUKTLQP-PMACEKPBSA-N 1 3 364.578 3.157 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000459513854 501667475 /nfs/dbraw/zinc/66/74/75/501667475.db2.gz KZFZNVUUIWBUJJ-UHFFFAOYSA-N 1 3 374.554 3.448 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1n1cccn1 ZINC000459570855 501678623 /nfs/dbraw/zinc/67/86/23/501678623.db2.gz MWULFAQRDAKDMZ-VAMGGRTRSA-N 1 3 369.513 3.034 20 0 FGADHO Cc1cc(Br)cn2c(CNCC[C@H]3CCC[N@@H+](C)C3)cnc12 ZINC000459775991 501712484 /nfs/dbraw/zinc/71/24/84/501712484.db2.gz JTIRNBWZJVXCGW-CQSZACIVSA-N 1 3 365.319 3.227 20 0 FGADHO Cc1cc(Br)cn2c(CNCC[C@H]3CCC[N@H+](C)C3)cnc12 ZINC000459775991 501712487 /nfs/dbraw/zinc/71/24/87/501712487.db2.gz JTIRNBWZJVXCGW-CQSZACIVSA-N 1 3 365.319 3.227 20 0 FGADHO CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(Br)c1[O-] ZINC000459791712 501714784 /nfs/dbraw/zinc/71/47/84/501714784.db2.gz RPMCUKNIRBYAAA-ZDUSSCGKSA-N 1 3 371.319 3.375 20 0 FGADHO CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1[O-] ZINC000459791712 501714786 /nfs/dbraw/zinc/71/47/86/501714786.db2.gz RPMCUKNIRBYAAA-ZDUSSCGKSA-N 1 3 371.319 3.375 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000457538646 501718600 /nfs/dbraw/zinc/71/86/00/501718600.db2.gz UDEDRQGOVJPZPR-UHFFFAOYSA-N 1 3 374.554 3.083 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000467368702 501779148 /nfs/dbraw/zinc/77/91/48/501779148.db2.gz IKENFDVQTIEHDN-CRAIPNDOSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000477903547 501824411 /nfs/dbraw/zinc/82/44/11/501824411.db2.gz CWTNMKFHTOGSMJ-RXVVDRJESA-N 1 3 372.557 3.069 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000460465541 501829789 /nfs/dbraw/zinc/82/97/89/501829789.db2.gz FWAKRPAAQGMAQE-OALUTQOASA-N 1 3 352.567 3.157 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000471372734 502002476 /nfs/dbraw/zinc/00/24/76/502002476.db2.gz HZUZPHOJQQLEFF-TZIWHRDSSA-N 1 3 372.557 3.339 20 0 FGADHO CN(C)CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000468321132 502023558 /nfs/dbraw/zinc/02/35/58/502023558.db2.gz RBOOLCKWXJEUJQ-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO CN(C)CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000468321132 502023563 /nfs/dbraw/zinc/02/35/63/502023563.db2.gz RBOOLCKWXJEUJQ-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000468532959 502094558 /nfs/dbraw/zinc/09/45/58/502094558.db2.gz RPYRYDVBDOAUOQ-AZUAARDMSA-N 1 3 360.546 3.195 20 0 FGADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482886045 502207964 /nfs/dbraw/zinc/20/79/64/502207964.db2.gz IGFWEWCGHSJLFY-SFHVURJKSA-N 1 3 351.922 3.323 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000486677306 502227939 /nfs/dbraw/zinc/22/79/39/502227939.db2.gz PDZFMNZOIQMARN-UHFFFAOYSA-N 1 3 366.484 3.344 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303381 /nfs/dbraw/zinc/30/33/81/506303381.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303386 /nfs/dbraw/zinc/30/33/86/506303386.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141579 502288332 /nfs/dbraw/zinc/28/83/32/502288332.db2.gz KKAJEEVIYUPZIN-ADAWSYLGSA-N 1 3 371.447 3.482 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141579 502288338 /nfs/dbraw/zinc/28/83/38/502288338.db2.gz KKAJEEVIYUPZIN-ADAWSYLGSA-N 1 3 371.447 3.482 20 0 FGADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479537775 502289436 /nfs/dbraw/zinc/28/94/36/502289436.db2.gz AMNGZBVMGSQJRM-FTWXPCQCSA-N 1 3 357.542 3.055 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000472281085 502297052 /nfs/dbraw/zinc/29/70/52/502297052.db2.gz XBRHYGQOINFNQT-GOSISDBHSA-N 1 3 374.481 3.152 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475902878 502327227 /nfs/dbraw/zinc/32/72/27/502327227.db2.gz XFPUBIOKFHDENK-UGKGYDQZSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620080 502328435 /nfs/dbraw/zinc/32/84/35/502328435.db2.gz UNBZDUHOTRFQHG-NHCUHLMSSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620080 502328443 /nfs/dbraw/zinc/32/84/43/502328443.db2.gz UNBZDUHOTRFQHG-NHCUHLMSSA-N 1 3 374.573 3.441 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465692839 502349220 /nfs/dbraw/zinc/34/92/20/502349220.db2.gz KKJVUXRQPXMTJE-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465692839 502349223 /nfs/dbraw/zinc/34/92/23/502349223.db2.gz KKJVUXRQPXMTJE-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000472467255 502361340 /nfs/dbraw/zinc/36/13/40/502361340.db2.gz YDCFWTOJQUJJLK-MOPGFXCFSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399403 /nfs/dbraw/zinc/39/94/03/502399403.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399409 /nfs/dbraw/zinc/39/94/09/502399409.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950161 502438033 /nfs/dbraw/zinc/43/80/33/502438033.db2.gz MBCBGCFRYRHKOY-PZJWPPBQSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950161 502438036 /nfs/dbraw/zinc/43/80/36/502438036.db2.gz MBCBGCFRYRHKOY-PZJWPPBQSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953365 502439377 /nfs/dbraw/zinc/43/93/77/502439377.db2.gz ADUGBGYKXUIIEX-PZJWPPBQSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953365 502439384 /nfs/dbraw/zinc/43/93/84/502439384.db2.gz ADUGBGYKXUIIEX-PZJWPPBQSA-N 1 3 374.573 3.156 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000466030877 502459101 /nfs/dbraw/zinc/45/91/01/502459101.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000466030877 502459104 /nfs/dbraw/zinc/45/91/04/502459104.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 1 3 372.557 3.164 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466041097 502464362 /nfs/dbraw/zinc/46/43/62/502464362.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466041097 502464365 /nfs/dbraw/zinc/46/43/65/502464365.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483698691 502467485 /nfs/dbraw/zinc/46/74/85/502467485.db2.gz PAABYPPERWTEFO-OAQYLSRUSA-N 1 3 357.542 3.202 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588710600 506316573 /nfs/dbraw/zinc/31/65/73/506316573.db2.gz STZWHKQLTMIXBZ-ROUUACIJSA-N 1 3 364.505 3.416 20 0 FGADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000480259670 502515847 /nfs/dbraw/zinc/51/58/47/502515847.db2.gz IGCGVGMSIWUCMD-INIZCTEOSA-N 1 3 358.452 3.304 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1)C(C)C ZINC000480368520 502548970 /nfs/dbraw/zinc/54/89/70/502548970.db2.gz ZNDHAMVSSCJIFM-FQEVSTJZSA-N 1 3 363.571 3.084 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1)C(C)C ZINC000480368520 502548975 /nfs/dbraw/zinc/54/89/75/502548975.db2.gz ZNDHAMVSSCJIFM-FQEVSTJZSA-N 1 3 363.571 3.084 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000473298287 502562188 /nfs/dbraw/zinc/56/21/88/502562188.db2.gz DEOZSDCAEBAZRA-WMZOPIPTSA-N 1 3 351.560 3.243 20 0 FGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553628 502601147 /nfs/dbraw/zinc/60/11/47/502601147.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553628 502601157 /nfs/dbraw/zinc/60/11/57/502601157.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 1 3 369.553 3.422 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000582608563 506323680 /nfs/dbraw/zinc/32/36/80/506323680.db2.gz CYHOWNXRRKDIEX-OAHLLOKOSA-N 1 3 357.498 3.297 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480613694 502621541 /nfs/dbraw/zinc/62/15/41/502621541.db2.gz PNAWQJXCRZWQKD-ONTIZHBOSA-N 1 3 359.558 3.303 20 0 FGADHO CC(C)[C@H](CN[C@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654470 502633487 /nfs/dbraw/zinc/63/34/87/502633487.db2.gz SUDDGDKSFCAAGB-BAGYTPMASA-N 1 3 359.558 3.158 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000473674497 502674140 /nfs/dbraw/zinc/67/41/40/502674140.db2.gz IGYXIPHUZYGGCU-UHFFFAOYSA-N 1 3 358.530 3.273 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668295 502702943 /nfs/dbraw/zinc/70/29/43/502702943.db2.gz GHRADWNPXYQEDR-NQIIRXRSSA-N 1 3 368.525 3.109 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216177 502709961 /nfs/dbraw/zinc/70/99/61/502709961.db2.gz CFGZJGYJOHDSJG-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243762 502714216 /nfs/dbraw/zinc/71/42/16/502714216.db2.gz PJDPPGLAYVAELC-DAYGRLMNSA-N 1 3 371.447 3.484 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243762 502714217 /nfs/dbraw/zinc/71/42/17/502714217.db2.gz PJDPPGLAYVAELC-DAYGRLMNSA-N 1 3 371.447 3.484 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022233 502730938 /nfs/dbraw/zinc/73/09/38/502730938.db2.gz JZDFOVDHQUBTRO-GHTZIAJQSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000463277290 502743320 /nfs/dbraw/zinc/74/33/20/502743320.db2.gz CJRVUVISDVYDNT-RTBURBONSA-N 1 3 352.563 3.405 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000470352617 502746688 /nfs/dbraw/zinc/74/66/88/502746688.db2.gz GOXMRBRFMOCVMZ-VGOFRKELSA-N 1 3 363.505 3.415 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000470352617 502746689 /nfs/dbraw/zinc/74/66/89/502746689.db2.gz GOXMRBRFMOCVMZ-VGOFRKELSA-N 1 3 363.505 3.415 20 0 FGADHO C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844305 /nfs/dbraw/zinc/84/43/05/502844305.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 1 3 371.569 3.415 20 0 FGADHO C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844309 /nfs/dbraw/zinc/84/43/09/502844309.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 1 3 371.569 3.415 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000513381355 502920798 /nfs/dbraw/zinc/92/07/98/502920798.db2.gz AUROQCOXIHFVND-NRFANRHFSA-N 1 3 372.557 3.049 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000513381355 502920800 /nfs/dbraw/zinc/92/08/00/502920800.db2.gz AUROQCOXIHFVND-NRFANRHFSA-N 1 3 372.557 3.049 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566209 502936337 /nfs/dbraw/zinc/93/63/37/502936337.db2.gz DHHCENVFPWTZSP-FUHWJXTLSA-N 1 3 364.534 3.082 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000509583406 502941300 /nfs/dbraw/zinc/94/13/00/502941300.db2.gz JXJJPLSSYNILBQ-WMZOPIPTSA-N 1 3 364.534 3.225 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178285 502953407 /nfs/dbraw/zinc/95/34/07/502953407.db2.gz YGQPJXCQRUFMMD-OKZBNKHCSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178285 502953413 /nfs/dbraw/zinc/95/34/13/502953413.db2.gz YGQPJXCQRUFMMD-OKZBNKHCSA-N 1 3 364.559 3.057 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731127 502974721 /nfs/dbraw/zinc/97/47/21/502974721.db2.gz HUNWJLXFGAHUFU-OAQYLSRUSA-N 1 3 353.510 3.328 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731127 502974724 /nfs/dbraw/zinc/97/47/24/502974724.db2.gz HUNWJLXFGAHUFU-OAQYLSRUSA-N 1 3 353.510 3.328 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000489774578 503031207 /nfs/dbraw/zinc/03/12/07/503031207.db2.gz IZAIAPSLDOLFRY-AQNXPRMDSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)OCCO ZINC000489795869 503037558 /nfs/dbraw/zinc/03/75/58/503037558.db2.gz KTWZETFQISVKTI-NJDAHSKKSA-N 1 3 360.542 3.054 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000513932032 503051517 /nfs/dbraw/zinc/05/15/17/503051517.db2.gz QVWANVPAMPZXFE-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000513932032 503051521 /nfs/dbraw/zinc/05/15/21/503051521.db2.gz QVWANVPAMPZXFE-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)C[C@H](C)O1 ZINC000514094777 503086034 /nfs/dbraw/zinc/08/60/34/503086034.db2.gz OOWRTWJTXCJAGC-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)C[C@H](C)O1 ZINC000514094777 503086039 /nfs/dbraw/zinc/08/60/39/503086039.db2.gz OOWRTWJTXCJAGC-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)C[C@H](C)O1 ZINC000514094777 503086042 /nfs/dbraw/zinc/08/60/42/503086042.db2.gz OOWRTWJTXCJAGC-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921144 503109213 /nfs/dbraw/zinc/10/92/13/503109213.db2.gz VOSDBDAWXFNCHY-SJORKVTESA-N 1 3 364.534 3.130 20 0 FGADHO [NH3+][C@H](CC(F)F)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198172 503128767 /nfs/dbraw/zinc/12/87/67/503128767.db2.gz JXNLTNOLTHUMLS-QGZVFWFLSA-N 1 3 365.468 3.016 20 0 FGADHO CC[NH+](CC)CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000498379283 503174159 /nfs/dbraw/zinc/17/41/59/503174159.db2.gz YDHVWBBGBYHNJM-IBGZPJMESA-N 1 3 363.521 3.276 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196535 /nfs/dbraw/zinc/19/65/35/503196535.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196539 /nfs/dbraw/zinc/19/65/39/503196539.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 1 3 364.578 3.014 20 0 FGADHO CCN(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221476 /nfs/dbraw/zinc/22/14/76/503221476.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 1 3 364.537 3.492 20 0 FGADHO CCN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221478 /nfs/dbraw/zinc/22/14/78/503221478.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 1 3 364.537 3.492 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221916 /nfs/dbraw/zinc/22/19/16/503221916.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 1 3 371.569 3.383 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221918 /nfs/dbraw/zinc/22/19/18/503221918.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 1 3 371.569 3.383 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000515100875 503271901 /nfs/dbraw/zinc/27/19/01/503271901.db2.gz PTYJIYTYQZCVBI-NVXWUHKLSA-N 1 3 354.564 3.159 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000515100875 503271903 /nfs/dbraw/zinc/27/19/03/503271903.db2.gz PTYJIYTYQZCVBI-NVXWUHKLSA-N 1 3 354.564 3.159 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000502788766 503272103 /nfs/dbraw/zinc/27/21/03/503272103.db2.gz MOCUVQXSQZYTGT-UHFFFAOYSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000502842850 503286273 /nfs/dbraw/zinc/28/62/73/503286273.db2.gz MFYLJUIHONPKNY-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000502842850 503286278 /nfs/dbraw/zinc/28/62/78/503286278.db2.gz MFYLJUIHONPKNY-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000499141594 503342366 /nfs/dbraw/zinc/34/23/66/503342366.db2.gz MBFHOZRIDZYNHR-NRFANRHFSA-N 1 3 372.557 3.259 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677201 503367816 /nfs/dbraw/zinc/36/78/16/503367816.db2.gz HWARWAYOFKBGHD-LAUBAEHRSA-N 1 3 351.494 3.314 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccsc1 ZINC000508045950 503418817 /nfs/dbraw/zinc/41/88/17/503418817.db2.gz QEJIQASIKAYCQC-KRWDZBQOSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C ZINC000503533346 503431723 /nfs/dbraw/zinc/43/17/23/503431723.db2.gz RNSRLNDKFFWQLC-UWJYYQICSA-N 1 3 372.557 3.160 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000493694969 503440639 /nfs/dbraw/zinc/44/06/39/503440639.db2.gz ZLQGPLYMXKJFNM-AUSIDOKSSA-N 1 3 371.569 3.130 20 0 FGADHO COc1ccc(CN2CCC(CC[NH3+])CC2)cc1OCc1cccnc1 ZINC000516073040 503441623 /nfs/dbraw/zinc/44/16/23/503441623.db2.gz JYFJEZZQXDHEOE-UHFFFAOYSA-N 1 3 355.482 3.230 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)N(C)C ZINC000493866081 503450434 /nfs/dbraw/zinc/45/04/34/503450434.db2.gz ZOUJZWQVJNJMEG-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+](C)C1CCCC1)N(C)C ZINC000493866081 503450438 /nfs/dbraw/zinc/45/04/38/503450438.db2.gz ZOUJZWQVJNJMEG-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000493940654 503462255 /nfs/dbraw/zinc/46/22/55/503462255.db2.gz JOWNEJGUQMQDTD-NLWGTHIKSA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000493940654 503462258 /nfs/dbraw/zinc/46/22/58/503462258.db2.gz JOWNEJGUQMQDTD-NLWGTHIKSA-N 1 3 360.546 3.097 20 0 FGADHO Cc1nc2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)cc2s1 ZINC000494193283 503501092 /nfs/dbraw/zinc/50/10/92/503501092.db2.gz YAYMPMXHWYTVPN-OALUTQOASA-N 1 3 359.539 3.462 20 0 FGADHO C[NH+](C)CC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCCCC1 ZINC000494291728 503520512 /nfs/dbraw/zinc/52/05/12/503520512.db2.gz ZDGMKKURDGHBJO-UHFFFAOYSA-N 1 3 371.569 3.322 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434987 503550053 /nfs/dbraw/zinc/55/00/53/503550053.db2.gz CYUGUICEWSWAEN-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434987 503550056 /nfs/dbraw/zinc/55/00/56/503550056.db2.gz CYUGUICEWSWAEN-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504324423 503556604 /nfs/dbraw/zinc/55/66/04/503556604.db2.gz LCHVJACXGXFRBU-NHCUHLMSSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504324423 503556606 /nfs/dbraw/zinc/55/66/06/503556606.db2.gz LCHVJACXGXFRBU-NHCUHLMSSA-N 1 3 370.541 3.099 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)COc1ccccc1F ZINC000516761435 503581948 /nfs/dbraw/zinc/58/19/48/503581948.db2.gz FBOKENAXIVCSDS-FQEVSTJZSA-N 1 3 372.484 3.341 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508902048 503595444 /nfs/dbraw/zinc/59/54/44/503595444.db2.gz VVDPNLOJESPJFO-RXVVDRJESA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)N(C)C ZINC000508903526 503596252 /nfs/dbraw/zinc/59/62/52/503596252.db2.gz YDGZWBFEGBKEGF-QIJZPMMNSA-N 1 3 372.557 3.254 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@@H]1C ZINC000512667496 503608430 /nfs/dbraw/zinc/60/84/30/503608430.db2.gz PWMRXRLTWFYKRZ-DBXWQHBBSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927833 503621488 /nfs/dbraw/zinc/62/14/88/503621488.db2.gz HSNJMWSQDPSYMJ-BULFRSBZSA-N 1 3 369.553 3.064 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000540137806 503685793 /nfs/dbraw/zinc/68/57/93/503685793.db2.gz RDPOVVOIZXUWED-KNQAVFIVSA-N 1 3 374.573 3.025 20 0 FGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000536846540 503738424 /nfs/dbraw/zinc/73/84/24/503738424.db2.gz PORUJNRALZZJIR-HKBOAZHASA-N 1 3 358.526 3.485 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543704 503766967 /nfs/dbraw/zinc/76/69/67/503766967.db2.gz ZLBUZDUJYAIFEF-PXNSSMCTSA-N 1 3 372.557 3.384 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537015734 503777888 /nfs/dbraw/zinc/77/78/88/503777888.db2.gz JGPUIQLQYZLLPI-NHCUHLMSSA-N 1 3 355.526 3.181 20 0 FGADHO C[C@@H]1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H](C)C1 ZINC000533361033 503816918 /nfs/dbraw/zinc/81/69/18/503816918.db2.gz SVSCVLLPPCTHOU-ROUUACIJSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000540607482 503832887 /nfs/dbraw/zinc/83/28/87/503832887.db2.gz UARUFJSFMHAACC-ZDUSSCGKSA-N 1 3 355.404 3.274 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccsc1 ZINC000537305569 503874053 /nfs/dbraw/zinc/87/40/53/503874053.db2.gz YTANPPYWLQWUHY-GOSISDBHSA-N 1 3 366.575 3.258 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527659946 503881778 /nfs/dbraw/zinc/88/17/78/503881778.db2.gz NKVRPRSAKUROOD-DHIUTWEWSA-N 1 3 373.585 3.083 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238801 503888499 /nfs/dbraw/zinc/88/84/99/503888499.db2.gz CIBFADGTWRNOBD-KDOFPFPSSA-N 1 3 354.441 3.440 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248464 503894515 /nfs/dbraw/zinc/89/45/15/503894515.db2.gz KWIIVAYONYPGKO-OAQYLSRUSA-N 1 3 368.525 3.080 20 0 FGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000518081832 503904532 /nfs/dbraw/zinc/90/45/32/503904532.db2.gz YZKXMFCFSWYIDM-PMACEKPBSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc2nccc(N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000546888153 503916325 /nfs/dbraw/zinc/91/63/25/503916325.db2.gz SPIRAFLPFLXPGV-UHFFFAOYSA-N 1 3 352.526 3.397 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864546 503920461 /nfs/dbraw/zinc/92/04/61/503920461.db2.gz HWFOREUMGMKYIV-PKOBYXMFSA-N 1 3 367.896 3.213 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000518271001 503940967 /nfs/dbraw/zinc/94/09/67/503940967.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000518271001 503940972 /nfs/dbraw/zinc/94/09/72/503940972.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 1 3 366.575 3.159 20 0 FGADHO CCN(Cc1ccc2c(c1)nnn2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661290 503996140 /nfs/dbraw/zinc/99/61/40/503996140.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 1 3 363.509 3.312 20 0 FGADHO CCN(Cc1ccc2c(c1)nnn2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661290 503996141 /nfs/dbraw/zinc/99/61/41/503996141.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 1 3 363.509 3.312 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000541120853 504016503 /nfs/dbraw/zinc/01/65/03/504016503.db2.gz RGNRQKPRRKDLMR-IEBWSBKVSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598012 504025040 /nfs/dbraw/zinc/02/50/40/504025040.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598012 504025041 /nfs/dbraw/zinc/02/50/41/504025041.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO CC[C@H](C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812502 504094187 /nfs/dbraw/zinc/09/41/87/504094187.db2.gz RXBWATHCTLJQKZ-NHCUHLMSSA-N 1 3 359.558 3.306 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000530913668 504128778 /nfs/dbraw/zinc/12/87/78/504128778.db2.gz BWIYHMNEQUIUDW-QGZVFWFLSA-N 1 3 373.545 3.133 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000530913668 504128783 /nfs/dbraw/zinc/12/87/83/504128783.db2.gz BWIYHMNEQUIUDW-QGZVFWFLSA-N 1 3 373.545 3.133 20 0 FGADHO CN(CCOc1ccc2ccccc2c1)CCN(C)C1CC[NH+](C)CC1 ZINC000538134811 504141144 /nfs/dbraw/zinc/14/11/44/504141144.db2.gz CRQNACHVCBIBBL-UHFFFAOYSA-N 1 3 355.526 3.176 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[NH+](CC)CC)CC1 ZINC000519222997 504169527 /nfs/dbraw/zinc/16/95/27/504169527.db2.gz KQJXWSXDBUKHCN-LJQANCHMSA-N 1 3 359.558 3.477 20 0 FGADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000538394334 504233464 /nfs/dbraw/zinc/23/34/64/504233464.db2.gz WIALFQYIAZXVCG-OAHLLOKOSA-N 1 3 359.283 3.086 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398023 504233900 /nfs/dbraw/zinc/23/39/00/504233900.db2.gz AVKMSFGGGZWCPQ-VXKWHMMOSA-N 1 3 371.569 3.261 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258424 /nfs/dbraw/zinc/25/84/24/504258424.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258431 /nfs/dbraw/zinc/25/84/31/504258431.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO Cc1cc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc(C)c1F ZINC000538545651 504280365 /nfs/dbraw/zinc/28/03/65/504280365.db2.gz XQEYWZHSJDGPEE-AEFFLSMTSA-N 1 3 351.510 3.186 20 0 FGADHO C[C@@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000519751867 504327663 /nfs/dbraw/zinc/32/76/63/504327663.db2.gz XMFSRLSNVFXGEE-QRVBRYPASA-N 1 3 357.542 3.371 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000519770607 504333375 /nfs/dbraw/zinc/33/33/75/504333375.db2.gz OPUMSBUUIVMSJS-SFHVURJKSA-N 1 3 368.953 3.361 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528718387 504347028 /nfs/dbraw/zinc/34/70/28/504347028.db2.gz XQFJGUVNMXKJHS-UHFFFAOYSA-N 1 3 374.529 3.144 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528718387 504347033 /nfs/dbraw/zinc/34/70/33/504347033.db2.gz XQFJGUVNMXKJHS-UHFFFAOYSA-N 1 3 374.529 3.144 20 0 FGADHO Cc1ccc([C@H](CNC(=O)c2ccccc2CC[NH3+])N2CCCC2)cc1 ZINC000520245916 504445313 /nfs/dbraw/zinc/44/53/13/504445313.db2.gz XXWHWZFYABPVLL-NRFANRHFSA-N 1 3 351.494 3.063 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC000520297734 504457905 /nfs/dbraw/zinc/45/79/05/504457905.db2.gz BICFSEHGAXFWLR-FQEVSTJZSA-N 1 3 372.557 3.306 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435841 504489461 /nfs/dbraw/zinc/48/94/61/504489461.db2.gz PGVXHTKMUPTWQO-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200739 504570818 /nfs/dbraw/zinc/57/08/18/504570818.db2.gz XRZIGAVGRVPMTG-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200739 504570820 /nfs/dbraw/zinc/57/08/20/504570820.db2.gz XRZIGAVGRVPMTG-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200739 504570823 /nfs/dbraw/zinc/57/08/23/504570823.db2.gz XRZIGAVGRVPMTG-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217809 504577049 /nfs/dbraw/zinc/57/70/49/504577049.db2.gz JMTGIVSLMODJCX-STQMWFEESA-N 1 3 361.408 3.232 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758360 504597759 /nfs/dbraw/zinc/59/77/59/504597759.db2.gz ARLUIDINUROGPE-LNLFQRSKSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758360 504597766 /nfs/dbraw/zinc/59/77/66/504597766.db2.gz ARLUIDINUROGPE-LNLFQRSKSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491560 504669575 /nfs/dbraw/zinc/66/95/75/504669575.db2.gz HXELLUNQQVQKEI-OLZOCXBDSA-N 1 3 356.308 3.096 20 0 FGADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000521319756 504708545 /nfs/dbraw/zinc/70/85/45/504708545.db2.gz LKBSCEXGRSVQCY-RBBKRZOGSA-N 1 3 354.494 3.025 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549206547 504723489 /nfs/dbraw/zinc/72/34/89/504723489.db2.gz KEOMSXLHOABBHM-HXUWFJFHSA-N 1 3 372.557 3.023 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549206547 504723493 /nfs/dbraw/zinc/72/34/93/504723493.db2.gz KEOMSXLHOABBHM-HXUWFJFHSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000521411456 504730617 /nfs/dbraw/zinc/73/06/17/504730617.db2.gz DWTJBTAODHMKOC-HBMCJLEFSA-N 1 3 372.557 3.374 20 0 FGADHO FC1(F)Oc2cccc(CC[NH2+]C3CCN(c4ccncc4)CC3)c2O1 ZINC000529640179 504750381 /nfs/dbraw/zinc/75/03/81/504750381.db2.gz BQOCHCDPCXEDEM-UHFFFAOYSA-N 1 3 361.392 3.204 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000521509601 504750321 /nfs/dbraw/zinc/75/03/21/504750321.db2.gz PONBAFSPGVABDD-LJQANCHMSA-N 1 3 374.573 3.448 20 0 FGADHO CC1CCC(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000532899285 504772246 /nfs/dbraw/zinc/77/22/46/504772246.db2.gz WKKVMEZVPRCSCX-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000556112931 504799345 /nfs/dbraw/zinc/79/93/45/504799345.db2.gz VSZAOJVWBBLEPY-NRFANRHFSA-N 1 3 351.494 3.032 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000559260740 504811896 /nfs/dbraw/zinc/81/18/96/504811896.db2.gz APMAIRCJLTYXPB-RXVVDRJESA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000559260740 504811900 /nfs/dbraw/zinc/81/19/00/504811900.db2.gz APMAIRCJLTYXPB-RXVVDRJESA-N 1 3 373.541 3.213 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](CC(C)C)C3)CC2)CC1 ZINC000565185395 504820929 /nfs/dbraw/zinc/82/09/29/504820929.db2.gz JNBWKBVJGSWNMZ-IBGZPJMESA-N 1 3 363.590 3.467 20 0 FGADHO Cc1nocc1CNCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000559294010 504822576 /nfs/dbraw/zinc/82/25/76/504822576.db2.gz ABRNNPXOELHNMB-CALCHBBNSA-N 1 3 357.498 3.282 20 0 FGADHO Cc1nocc1CNCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000559294010 504822580 /nfs/dbraw/zinc/82/25/80/504822580.db2.gz ABRNNPXOELHNMB-CALCHBBNSA-N 1 3 357.498 3.282 20 0 FGADHO CC[C@H](c1ccncc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553143257 504836995 /nfs/dbraw/zinc/83/69/95/504836995.db2.gz DSUXFTANZXEQGQ-OAQYLSRUSA-N 1 3 372.557 3.187 20 0 FGADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000549774783 504894695 /nfs/dbraw/zinc/89/46/95/504894695.db2.gz NEABJQALKDALKC-OAQYLSRUSA-N 1 3 373.541 3.040 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536208 504915710 /nfs/dbraw/zinc/91/57/10/504915710.db2.gz YCQXNADRLBJLEZ-NQIIRXRSSA-N 1 3 356.510 3.290 20 0 FGADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525478 504940023 /nfs/dbraw/zinc/94/00/23/504940023.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525478 504940029 /nfs/dbraw/zinc/94/00/29/504940029.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 1 3 369.553 3.231 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683845 504957317 /nfs/dbraw/zinc/95/73/17/504957317.db2.gz ONXZIDZQPVDZGH-RXVVDRJESA-N 1 3 374.573 3.441 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705083 504964150 /nfs/dbraw/zinc/96/41/50/504964150.db2.gz FULKMLNGRYOQQU-ROUUACIJSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705083 504964153 /nfs/dbraw/zinc/96/41/53/504964153.db2.gz FULKMLNGRYOQQU-ROUUACIJSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1cccc(-n2ccnn2)c1 ZINC000562962345 505000700 /nfs/dbraw/zinc/00/07/00/505000700.db2.gz FGCOZGSJWKWHKZ-CZGNGVECSA-N 1 3 351.498 3.072 20 0 FGADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987326 505010606 /nfs/dbraw/zinc/01/06/06/505010606.db2.gz GTMBCVTXSZYRSR-XMSQKQJNSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987326 505010612 /nfs/dbraw/zinc/01/06/12/505010612.db2.gz GTMBCVTXSZYRSR-XMSQKQJNSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987326 505010616 /nfs/dbraw/zinc/01/06/16/505010616.db2.gz GTMBCVTXSZYRSR-XMSQKQJNSA-N 1 3 366.505 3.167 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000562994210 505013109 /nfs/dbraw/zinc/01/31/09/505013109.db2.gz AQLHCYTXKCZAAY-LAUBAEHRSA-N 1 3 372.484 3.381 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000556958337 505030284 /nfs/dbraw/zinc/03/02/84/505030284.db2.gz CYUSTIHVCAVFPV-HSZRJFAPSA-N 1 3 373.585 3.448 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000556958337 505030289 /nfs/dbraw/zinc/03/02/89/505030289.db2.gz CYUSTIHVCAVFPV-HSZRJFAPSA-N 1 3 373.585 3.448 20 0 FGADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000565946628 505035355 /nfs/dbraw/zinc/03/53/55/505035355.db2.gz ZULIXPUTDRKPCR-SFHVURJKSA-N 1 3 356.432 3.215 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000553975134 505058437 /nfs/dbraw/zinc/05/84/37/505058437.db2.gz YCFANYNJZIFPAJ-UIFIKXQLSA-N 1 3 355.526 3.209 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000553985683 505060945 /nfs/dbraw/zinc/06/09/45/505060945.db2.gz DYCUGUWHSBXGCZ-KRWDZBQOSA-N 1 3 366.347 3.492 20 0 FGADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000566092420 505078253 /nfs/dbraw/zinc/07/82/53/505078253.db2.gz LGXMKHKCLGLUMM-GOSISDBHSA-N 1 3 365.521 3.361 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(Nc3cccc(OC)c3)CC2)cc1 ZINC000563214863 505078324 /nfs/dbraw/zinc/07/83/24/505078324.db2.gz BLJVUJDROVBBHC-SFHVURJKSA-N 1 3 369.509 3.323 20 0 FGADHO Cc1ccc2cc([C@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2c1 ZINC000566092469 505078488 /nfs/dbraw/zinc/07/84/88/505078488.db2.gz UCKSLWSVIJTJOU-OXTHUFEASA-N 1 3 355.482 3.039 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245801 505122479 /nfs/dbraw/zinc/12/24/79/505122479.db2.gz SYWHPNPFUXIMCW-ONIAQPFYSA-N 1 3 363.933 3.227 20 0 FGADHO Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557484132 505147210 /nfs/dbraw/zinc/14/72/10/505147210.db2.gz ALMCKIQHINSDBO-OAQYLSRUSA-N 1 3 357.542 3.415 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000557582249 505174264 /nfs/dbraw/zinc/17/42/64/505174264.db2.gz OVLKAEZCAFCGPI-UHFFFAOYSA-N 1 3 357.542 3.233 20 0 FGADHO CCOCc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000557590748 505176659 /nfs/dbraw/zinc/17/66/59/505176659.db2.gz LXHWBMVLFXGFNR-UHFFFAOYSA-N 1 3 373.541 3.358 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000554550049 505204609 /nfs/dbraw/zinc/20/46/09/505204609.db2.gz ATFMPNFADVHJFT-CTNGQTDRSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000554550049 505204611 /nfs/dbraw/zinc/20/46/11/505204611.db2.gz ATFMPNFADVHJFT-CTNGQTDRSA-N 1 3 374.573 3.129 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000561052054 505237947 /nfs/dbraw/zinc/23/79/47/505237947.db2.gz AOZPIDWPMBFBDX-UHFFFAOYSA-N 1 3 374.504 3.248 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279260 505301909 /nfs/dbraw/zinc/30/19/09/505301909.db2.gz NANSNWHYMWPCKG-RBUKOAKNSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279260 505301912 /nfs/dbraw/zinc/30/19/12/505301912.db2.gz NANSNWHYMWPCKG-RBUKOAKNSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279260 505301916 /nfs/dbraw/zinc/30/19/16/505301916.db2.gz NANSNWHYMWPCKG-RBUKOAKNSA-N 1 3 368.525 3.150 20 0 FGADHO CC[C@@H](NCc1cncc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168763 505343734 /nfs/dbraw/zinc/34/37/34/505343734.db2.gz QVXHLEVGJADCFH-WOZUAGRISA-N 1 3 361.530 3.176 20 0 FGADHO CC[C@@H]([NH2+]Cc1cncc(CN[C@@H](CC)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000564168763 505343737 /nfs/dbraw/zinc/34/37/37/505343737.db2.gz QVXHLEVGJADCFH-WOZUAGRISA-N 1 3 361.530 3.176 20 0 FGADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093960 505361694 /nfs/dbraw/zinc/36/16/94/505361694.db2.gz WOMWNCLMGRVEHF-QAPCUYQASA-N 1 3 370.440 3.015 20 0 FGADHO CC[C@@H]1C[C@@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147730 505376964 /nfs/dbraw/zinc/37/69/64/505376964.db2.gz YPMGXXYPLAVZOH-RJGXRXQPSA-N 1 3 371.569 3.084 20 0 FGADHO CC[C@@H]1C[C@@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147730 505376965 /nfs/dbraw/zinc/37/69/65/505376965.db2.gz YPMGXXYPLAVZOH-RJGXRXQPSA-N 1 3 371.569 3.084 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452938 505468291 /nfs/dbraw/zinc/46/82/91/505468291.db2.gz BCTCMNVWFCMWDC-HRAATJIYSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452938 505468294 /nfs/dbraw/zinc/46/82/94/505468294.db2.gz BCTCMNVWFCMWDC-HRAATJIYSA-N 1 3 364.493 3.322 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000562181585 505534410 /nfs/dbraw/zinc/53/44/10/505534410.db2.gz SVOKZIUGJHFCBY-DZFGPLHGSA-N 1 3 359.558 3.478 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000562181585 505534414 /nfs/dbraw/zinc/53/44/14/505534414.db2.gz SVOKZIUGJHFCBY-DZFGPLHGSA-N 1 3 359.558 3.478 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000552695117 505537318 /nfs/dbraw/zinc/53/73/18/505537318.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000552695117 505537321 /nfs/dbraw/zinc/53/73/21/505537321.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO C[C@@H](OC[C@H](O)CNCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864749 505543696 /nfs/dbraw/zinc/54/36/96/505543696.db2.gz SSTAENBSGZYMMM-VQIMIIECSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@@H](OC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(Cl)cc1 ZINC000564864749 505543699 /nfs/dbraw/zinc/54/36/99/505543699.db2.gz SSTAENBSGZYMMM-VQIMIIECSA-N 1 3 368.949 3.490 20 0 FGADHO CC(C)[C@H](C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N1CCCCC1 ZINC000593265474 506502162 /nfs/dbraw/zinc/50/21/62/506502162.db2.gz SARJZENVWVVUQO-HXUWFJFHSA-N 1 3 361.530 3.466 20 0 FGADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000608688415 506665969 /nfs/dbraw/zinc/66/59/69/506665969.db2.gz IZSXOWCBIOPRFL-VQTJNVASSA-N 1 3 374.573 3.269 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000608685396 506666196 /nfs/dbraw/zinc/66/61/96/506666196.db2.gz QDMJKRSEWIFMEK-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608691526 506667140 /nfs/dbraw/zinc/66/71/40/506667140.db2.gz DTBSWKCIDJQGKZ-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608691526 506667147 /nfs/dbraw/zinc/66/71/47/506667147.db2.gz DTBSWKCIDJQGKZ-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604107050 506715818 /nfs/dbraw/zinc/71/58/18/506715818.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604107050 506715821 /nfs/dbraw/zinc/71/58/21/506715821.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000583343846 506728249 /nfs/dbraw/zinc/72/82/49/506728249.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000583343846 506728253 /nfs/dbraw/zinc/72/82/53/506728253.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 1 3 374.573 3.174 20 0 FGADHO COC(=O)c1cc2cc(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730152 506751875 /nfs/dbraw/zinc/75/18/75/506751875.db2.gz KVQLZCCGLNVTDN-YQVWRLOYSA-N 1 3 372.465 3.080 20 0 FGADHO COC(=O)c1ccc(CNCC2CC[NH+](CCC(C)C)CC2)cc1F ZINC000597061663 506757284 /nfs/dbraw/zinc/75/72/84/506757284.db2.gz WIENGNBNWBMYPM-UHFFFAOYSA-N 1 3 350.478 3.460 20 0 FGADHO O[C@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)CN1CCCC1 ZINC000590611551 506881567 /nfs/dbraw/zinc/88/15/67/506881567.db2.gz OXWLHIMFWPWKRJ-OAQYLSRUSA-N 1 3 363.505 3.236 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000583752953 506953044 /nfs/dbraw/zinc/95/30/44/506953044.db2.gz IWIGCGFGOVPCCV-IAGOWNOFSA-N 1 3 352.482 3.437 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000591063954 507096696 /nfs/dbraw/zinc/09/66/96/507096696.db2.gz PINWEHWMZMFSPW-GOSISDBHSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000591063954 507096702 /nfs/dbraw/zinc/09/67/02/507096702.db2.gz PINWEHWMZMFSPW-GOSISDBHSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000591063955 507097533 /nfs/dbraw/zinc/09/75/33/507097533.db2.gz PINWEHWMZMFSPW-SFHVURJKSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000591063955 507097535 /nfs/dbraw/zinc/09/75/35/507097535.db2.gz PINWEHWMZMFSPW-SFHVURJKSA-N 1 3 373.541 3.106 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114314 /nfs/dbraw/zinc/11/43/14/507114314.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114317 /nfs/dbraw/zinc/11/43/17/507114317.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584227952 507225603 /nfs/dbraw/zinc/22/56/03/507225603.db2.gz UKLSGWGJSFBWGA-FDDCHVKYSA-N 1 3 368.521 3.414 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591456243 507257460 /nfs/dbraw/zinc/25/74/60/507257460.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591456243 507257464 /nfs/dbraw/zinc/25/74/64/507257464.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000591457603 507258914 /nfs/dbraw/zinc/25/89/14/507258914.db2.gz BBEWITHXYAMQNI-IBGZPJMESA-N 1 3 373.541 3.108 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000591457603 507258917 /nfs/dbraw/zinc/25/89/17/507258917.db2.gz BBEWITHXYAMQNI-IBGZPJMESA-N 1 3 373.541 3.108 20 0 FGADHO COc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000584313958 507273663 /nfs/dbraw/zinc/27/36/63/507273663.db2.gz MYQLRYDLMRSYSC-UHFFFAOYSA-N 1 3 358.482 3.242 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290197 507325113 /nfs/dbraw/zinc/32/51/13/507325113.db2.gz IBQMKJVKWXYYAM-SFTDATJTSA-N 1 3 372.557 3.306 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290197 507325116 /nfs/dbraw/zinc/32/51/16/507325116.db2.gz IBQMKJVKWXYYAM-SFTDATJTSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N2CCCC2)cc1 ZINC000601290608 507325225 /nfs/dbraw/zinc/32/52/25/507325225.db2.gz UESRKGUQGQTJBV-NHCUHLMSSA-N 1 3 372.557 3.304 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000584617430 507432743 /nfs/dbraw/zinc/43/27/43/507432743.db2.gz UCTSRYYMIGWNSM-FPOVZHCZSA-N 1 3 358.530 3.054 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670686 507441426 /nfs/dbraw/zinc/44/14/26/507441426.db2.gz LSZDVFLECWJYKW-BLKABHOGSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670686 507441433 /nfs/dbraw/zinc/44/14/33/507441433.db2.gz LSZDVFLECWJYKW-BLKABHOGSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670686 507441440 /nfs/dbraw/zinc/44/14/40/507441440.db2.gz LSZDVFLECWJYKW-BLKABHOGSA-N 1 3 367.537 3.030 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)c2cccnc12 ZINC000584787856 507504752 /nfs/dbraw/zinc/50/47/52/507504752.db2.gz SEBMUUJIXHPFOR-GOSISDBHSA-N 1 3 358.505 3.222 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)c2cccnc12 ZINC000584787856 507504760 /nfs/dbraw/zinc/50/47/60/507504760.db2.gz SEBMUUJIXHPFOR-GOSISDBHSA-N 1 3 358.505 3.222 20 0 FGADHO c1ccc2nc(NCCN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225893 517657378 /nfs/dbraw/zinc/65/73/78/517657378.db2.gz HMEMNGQTCXHWIK-OFNKIYASSA-N 1 3 374.488 3.492 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(C)c(C)c3)CC2)CC1 ZINC000618165553 568143971 /nfs/dbraw/zinc/14/39/71/568143971.db2.gz ZZDNPRZUUCUGPH-UHFFFAOYSA-N 1 3 371.569 3.158 20 0 FGADHO Cc1ncsc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092855833 700442084 /nfs/dbraw/zinc/44/20/84/700442084.db2.gz VPEVHNMLERVYIX-UHFFFAOYSA-N 1 3 356.539 3.273 20 0 FGADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCCN(C)C ZINC000134661170 704829332 /nfs/dbraw/zinc/82/93/32/704829332.db2.gz YACXKICSTHAWGM-CQSZACIVSA-N 1 3 350.507 3.017 20 0 FGADHO Cc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1[O-] ZINC000180508907 705744518 /nfs/dbraw/zinc/74/45/18/705744518.db2.gz NMLSBSIONDQMKR-UHFFFAOYSA-N 1 3 352.906 3.431 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885006 713613200 /nfs/dbraw/zinc/61/32/00/713613200.db2.gz OKBWXXQWXXOKFG-FGTMMUONSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885006 713613202 /nfs/dbraw/zinc/61/32/02/713613202.db2.gz OKBWXXQWXXOKFG-FGTMMUONSA-N 1 3 353.551 3.390 20 0 FGADHO Cc1cnc(CCN(C)C/C=C\C[N@H+](C)CCc2ncc(C)s2)s1 ZINC000255872461 713708751 /nfs/dbraw/zinc/70/87/51/713708751.db2.gz MVHBEZSRAPAWAD-WAYWQWQTSA-N 1 3 364.584 3.421 20 0 FGADHO Cc1cnc(CCN(C)C/C=C\C[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000255872461 713708752 /nfs/dbraw/zinc/70/87/52/713708752.db2.gz MVHBEZSRAPAWAD-WAYWQWQTSA-N 1 3 364.584 3.421 20 0 FGADHO C[C@H](N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372963 714457519 /nfs/dbraw/zinc/45/75/19/714457519.db2.gz MQKJVSBCLXZURR-ZVZYQTTQSA-N 1 3 355.448 3.257 20 0 FGADHO Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507577 714663185 /nfs/dbraw/zinc/66/31/85/714663185.db2.gz AVLBHFWGZVUTOK-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507577 714663190 /nfs/dbraw/zinc/66/31/90/714663190.db2.gz AVLBHFWGZVUTOK-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO Cc1nc2ccc(Br)cc2c(N2CCCO[C@@H](C[NH3+])C2)c1C ZINC000643052974 718003107 /nfs/dbraw/zinc/00/31/07/718003107.db2.gz HMVHKFMUTUDHGR-AWEZNQCLSA-N 1 3 364.287 3.168 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120664 715477383 /nfs/dbraw/zinc/47/73/83/715477383.db2.gz DPCQKGXKXCDBMD-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120664 715477387 /nfs/dbraw/zinc/47/73/87/715477387.db2.gz DPCQKGXKXCDBMD-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120664 715477392 /nfs/dbraw/zinc/47/73/92/715477392.db2.gz DPCQKGXKXCDBMD-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132023 724394088 /nfs/dbraw/zinc/39/40/88/724394088.db2.gz XCTANHWIWKUYQI-ROUUACIJSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132023 724394094 /nfs/dbraw/zinc/39/40/94/724394094.db2.gz XCTANHWIWKUYQI-ROUUACIJSA-N 1 3 353.551 3.344 20 0 FGADHO Clc1ccc(N2CCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000629523106 716303002 /nfs/dbraw/zinc/30/30/02/716303002.db2.gz KFUXUBZFNBYFAX-FUMNGEBKSA-N 1 3 363.933 3.056 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734097 717111509 /nfs/dbraw/zinc/11/15/09/717111509.db2.gz WPXVYHHWCHGAMC-HIFRSBDPSA-N 1 3 367.921 3.434 20 0 FGADHO C[C@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953192 717134812 /nfs/dbraw/zinc/13/48/12/717134812.db2.gz UQDLLCVGEYCSNH-PXNSSMCTSA-N 1 3 364.555 3.118 20 0 FGADHO FC(F)(F)c1cccc(CN2CCC(NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634996598 717139244 /nfs/dbraw/zinc/13/92/44/717139244.db2.gz ORKCNFQISAUQQF-UHFFFAOYSA-N 1 3 353.432 3.011 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H](C)C(C)(C)C)CC2)CC1 ZINC000636429433 717283254 /nfs/dbraw/zinc/28/32/54/717283254.db2.gz HJHPOCAAECIVDH-KRWDZBQOSA-N 1 3 351.579 3.323 20 0 FGADHO C[C@H]1CNC[C@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551105 718367194 /nfs/dbraw/zinc/36/71/94/718367194.db2.gz YALFDANVQZATBP-RDTXWAMCSA-N 1 3 355.448 3.257 20 0 FGADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551105 718367195 /nfs/dbraw/zinc/36/71/95/718367195.db2.gz YALFDANVQZATBP-RDTXWAMCSA-N 1 3 355.448 3.257 20 0 FGADHO Clc1ccc(OCCN2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411052 718512585 /nfs/dbraw/zinc/51/25/85/718512585.db2.gz JQQOLNJKCYXCMT-UHFFFAOYSA-N 1 3 365.949 3.116 20 0 FGADHO FC(F)(F)[C@@H]1N(c2ccc(CN3CCCC3)cn2)CCC12CC[NH2+]CC2 ZINC001164387165 718814991 /nfs/dbraw/zinc/81/49/91/718814991.db2.gz DQAQBOMDNWWJHF-QGZVFWFLSA-N 1 3 368.447 3.188 20 0 FGADHO CN(Cc1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413462 718881461 /nfs/dbraw/zinc/88/14/61/718881461.db2.gz ISHBAYVVWZHPKX-MRXNPFEDSA-N 1 3 368.447 3.329 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC000653138211 719016229 /nfs/dbraw/zinc/01/62/29/719016229.db2.gz NVWJLSMZMQVPCB-YPMHNXCESA-N 1 3 360.351 3.158 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@H](C)O1 ZINC000657368513 719634908 /nfs/dbraw/zinc/63/49/08/719634908.db2.gz XZPZEVLNFCLCPI-HOTGVXAUSA-N 1 3 350.478 3.346 20 0 FGADHO COc1cccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Cl ZINC000660151713 719997852 /nfs/dbraw/zinc/99/78/52/719997852.db2.gz WHJAWCRNUQDBMT-UHFFFAOYSA-N 1 3 365.949 3.339 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338741 720033012 /nfs/dbraw/zinc/03/30/12/720033012.db2.gz LWZJAZDUXPHLBE-IAGOWNOFSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338741 720033015 /nfs/dbraw/zinc/03/30/15/720033015.db2.gz LWZJAZDUXPHLBE-IAGOWNOFSA-N 1 3 366.575 3.303 20 0 FGADHO Clc1ccc(O[C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257485 720405541 /nfs/dbraw/zinc/40/55/41/720405541.db2.gz CZWRCBZHBYTPDY-LSDHHAIUSA-N 1 3 371.308 3.358 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294599 720410932 /nfs/dbraw/zinc/41/09/32/720410932.db2.gz CPSAWXXLAKWKRA-HNNXBMFYSA-N 1 3 369.962 3.072 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000663444949 720515019 /nfs/dbraw/zinc/51/50/19/720515019.db2.gz NDOJQHWPRRHHDB-DLBZAZTESA-N 1 3 366.575 3.161 20 0 FGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000790748125 723172970 /nfs/dbraw/zinc/17/29/70/723172970.db2.gz JUSXWLWPLCNWIM-IRXDYDNUSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[NH+]1CCCCC1 ZINC000770726657 723720185 /nfs/dbraw/zinc/72/01/85/723720185.db2.gz POVKXUHTXIBXKY-KRWDZBQOSA-N 1 3 364.965 3.056 20 0 FGADHO CC(C)(C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000798953792 723978673 /nfs/dbraw/zinc/97/86/73/723978673.db2.gz LOVAOXDJXMIVRU-HXUWFJFHSA-N 1 3 353.551 3.345 20 0 FGADHO CC1CCN(CCC[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788503800 725068643 /nfs/dbraw/zinc/06/86/43/725068643.db2.gz OQUZNHXHKKEZBK-UHFFFAOYSA-N 1 3 351.535 3.098 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000812720388 726806502 /nfs/dbraw/zinc/80/65/02/726806502.db2.gz FAOIPAFPKQAFIT-OWSLCNJRSA-N 1 3 353.551 3.484 20 0 FGADHO CN1CCCC[C@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286830 727236311 /nfs/dbraw/zinc/23/63/11/727236311.db2.gz NFQUVPYNZYSQCY-KRWDZBQOSA-N 1 3 351.535 3.336 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984965 727290702 /nfs/dbraw/zinc/29/07/02/727290702.db2.gz CZGWREFSBOZEET-IXDOHACOSA-N 1 3 351.535 3.429 20 0 FGADHO CC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984965 727290703 /nfs/dbraw/zinc/29/07/03/727290703.db2.gz CZGWREFSBOZEET-IXDOHACOSA-N 1 3 351.535 3.429 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103211 729424245 /nfs/dbraw/zinc/42/42/45/729424245.db2.gz GUILKUUOSWDOMA-NVXWUHKLSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103211 729424247 /nfs/dbraw/zinc/42/42/47/729424247.db2.gz GUILKUUOSWDOMA-NVXWUHKLSA-N 1 3 366.937 3.204 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831975389 729679389 /nfs/dbraw/zinc/67/93/89/729679389.db2.gz LYMLCLBTTXWAIX-MRXNPFEDSA-N 1 3 354.926 3.014 20 0 FGADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513343 729808928 /nfs/dbraw/zinc/80/89/28/729808928.db2.gz KYBYIXLCGXZHLA-MHORFTMASA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513343 729808930 /nfs/dbraw/zinc/80/89/30/729808930.db2.gz KYBYIXLCGXZHLA-MHORFTMASA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000840883552 730187902 /nfs/dbraw/zinc/18/79/02/730187902.db2.gz FRQGKVZIMPCZNH-INIZCTEOSA-N 1 3 359.901 3.413 20 0 FGADHO [NH3+]CCCCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000843128467 730589375 /nfs/dbraw/zinc/58/93/75/730589375.db2.gz VZMIEVYGGDHYDM-UHFFFAOYSA-N 1 3 351.292 3.448 20 0 FGADHO C[C@H](NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074203 731226112 /nfs/dbraw/zinc/22/61/12/731226112.db2.gz GIPOAACIHYYRKW-IACUBPJLSA-N 1 3 371.312 3.032 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040777 /nfs/dbraw/zinc/04/07/77/732040777.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 1 3 360.527 3.074 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040781 /nfs/dbraw/zinc/04/07/81/732040781.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 1 3 360.527 3.074 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283548 732804122 /nfs/dbraw/zinc/80/41/22/732804122.db2.gz KIFCKWMROSBLJQ-KFWWJZLASA-N 1 3 361.477 3.094 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283548 732804130 /nfs/dbraw/zinc/80/41/30/732804130.db2.gz KIFCKWMROSBLJQ-KFWWJZLASA-N 1 3 361.477 3.094 20 0 FGADHO CCS(=O)(=O)c1c(Cl)cccc1CNC1CCC(C)([NH+](C)C)CC1 ZINC000865765047 733265947 /nfs/dbraw/zinc/26/59/47/733265947.db2.gz JPIKGRGVVPTQAJ-UHFFFAOYSA-N 1 3 372.962 3.486 20 0 FGADHO Cc1sc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Br ZINC000873055160 735714994 /nfs/dbraw/zinc/71/49/94/735714994.db2.gz DXCFXGWUQIEVGZ-ZDUSSCGKSA-N 1 3 373.360 3.410 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)nn1 ZINC000873247331 735743370 /nfs/dbraw/zinc/74/33/70/735743370.db2.gz LAMFQNWKDSMWDQ-GOSISDBHSA-N 1 3 351.479 3.053 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)nn1 ZINC000873247408 735743391 /nfs/dbraw/zinc/74/33/91/735743391.db2.gz MIMRFIKWAANRSO-LJQANCHMSA-N 1 3 353.857 3.157 20 0 FGADHO Cc1ccc(OC(F)F)c([C@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288714 735746680 /nfs/dbraw/zinc/74/66/80/735746680.db2.gz AUEXBAMWBWLUSI-GJZGRUSLSA-N 1 3 354.441 3.406 20 0 FGADHO CO[C@H]1C[C@@H](CN2CCCC3(CCC[N@H+](C[C@H]4C[C@@H](OC)C4)C3)C2)C1 ZINC000878629323 736901757 /nfs/dbraw/zinc/90/17/57/736901757.db2.gz VDUQOAIREGAVPW-KGLOJCAVSA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@H]1C[C@@H](CN2CCCC3(CCC[N@@H+](C[C@H]4C[C@@H](OC)C4)C3)C2)C1 ZINC000878629323 736901761 /nfs/dbraw/zinc/90/17/61/736901761.db2.gz VDUQOAIREGAVPW-KGLOJCAVSA-N 1 3 350.547 3.014 20 0 FGADHO CN1CC[C@@H]2C[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011115 /nfs/dbraw/zinc/01/11/15/737011115.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011119 /nfs/dbraw/zinc/01/11/19/737011119.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO COC(=O)c1cnc(CC2CC[NH+](CC[C@H]3CCCCN3C)CC2)s1 ZINC000880272325 737145871 /nfs/dbraw/zinc/14/58/71/737145871.db2.gz QGGDGRAOLMNYIF-MRXNPFEDSA-N 1 3 365.543 3.059 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCc2ccccc2Br)C1 ZINC000883435587 737566389 /nfs/dbraw/zinc/56/63/89/737566389.db2.gz WRRBBYRSPMFGCF-NXHRZFHOSA-N 1 3 367.331 3.352 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461984 /nfs/dbraw/zinc/46/19/84/742461984.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461986 /nfs/dbraw/zinc/46/19/86/742461986.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791334 743775880 /nfs/dbraw/zinc/77/58/80/743775880.db2.gz UMLQLXORSZMLOR-LSDHHAIUSA-N 1 3 358.452 3.025 20 0 FGADHO Fc1ccc([C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769291 743881895 /nfs/dbraw/zinc/88/18/95/743881895.db2.gz BQGSJDGWTQLZBO-IRXDYDNUSA-N 1 3 350.453 3.303 20 0 FGADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000904459862 743956800 /nfs/dbraw/zinc/95/68/00/743956800.db2.gz ZALMLAHWOOWROO-SFHVURJKSA-N 1 3 357.523 3.487 20 0 FGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1csc2ccccc21 ZINC000925017923 759431298 /nfs/dbraw/zinc/43/12/98/759431298.db2.gz AHKCKMOPUMJNHM-HNNXBMFYSA-N 1 3 359.539 3.495 20 0 FGADHO FC(F)(F)[C@@H]1CC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C(F)(F)F)C1 ZINC000925527207 759500151 /nfs/dbraw/zinc/50/01/51/759500151.db2.gz QZYXVQRRJGEMNX-JTKNTLBKSA-N 1 3 356.354 3.482 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC000960011538 762730874 /nfs/dbraw/zinc/73/08/74/762730874.db2.gz SHSSMXXZYQZBBN-QLFBSQMISA-N 1 3 369.962 3.212 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC000960011538 762730885 /nfs/dbraw/zinc/73/08/85/762730885.db2.gz SHSSMXXZYQZBBN-QLFBSQMISA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761481 764561009 /nfs/dbraw/zinc/56/10/09/764561009.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761481 764561016 /nfs/dbraw/zinc/56/10/16/764561016.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 1 3 361.555 3.092 20 0 FGADHO C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293555316 257380189 /nfs/dbraw/zinc/38/01/89/257380189.db2.gz FLQSRXSSCODFFR-WMQCIHAUSA-N 1 3 351.494 3.103 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045788 505603132 /nfs/dbraw/zinc/60/31/32/505603132.db2.gz JEQHVVPYDVNDLI-HKUYNNGSSA-N 1 3 363.571 3.211 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045788 505603133 /nfs/dbraw/zinc/60/31/33/505603133.db2.gz JEQHVVPYDVNDLI-HKUYNNGSSA-N 1 3 363.571 3.211 20 0 FGADHO C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN(C)CCN(C)C ZINC000573721307 505604321 /nfs/dbraw/zinc/60/43/21/505604321.db2.gz JMAMARFKGIMVFY-HNNXBMFYSA-N 1 3 356.352 3.325 20 0 FGADHO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000573721307 505604324 /nfs/dbraw/zinc/60/43/24/505604324.db2.gz JMAMARFKGIMVFY-HNNXBMFYSA-N 1 3 356.352 3.325 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746308 505611462 /nfs/dbraw/zinc/61/14/62/505611462.db2.gz OCLJPIBLZNSBMI-AVRDEDQJSA-N 1 3 365.521 3.041 20 0 FGADHO CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576925932 505626238 /nfs/dbraw/zinc/62/62/38/505626238.db2.gz WYVNIVNCLMOVOH-LJQANCHMSA-N 1 3 364.493 3.071 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CNCc2ccccc21)c1ccccc1 ZINC000579828740 505628487 /nfs/dbraw/zinc/62/84/87/505628487.db2.gz NLDGVMDBWFVLJK-UZLBHIALSA-N 1 3 351.494 3.119 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)CC2)CC1 ZINC000568199680 505641925 /nfs/dbraw/zinc/64/19/25/505641925.db2.gz FLOWAPBGVYRLMA-VGSWGCGISA-N 1 3 369.553 3.232 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024608 505663919 /nfs/dbraw/zinc/66/39/19/505663919.db2.gz FHOQYVBWOTVHCV-ZNMIVQPWSA-N 1 3 370.335 3.384 20 0 FGADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000047972983 493767943 /nfs/dbraw/zinc/76/79/43/493767943.db2.gz NKILCAXTWXBURK-QFIPXVFZSA-N 1 3 369.553 3.378 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000048193571 493800051 /nfs/dbraw/zinc/80/00/51/493800051.db2.gz AQLCTZSBCDTMHC-UHFFFAOYSA-N 1 3 368.525 3.070 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000048193571 493800055 /nfs/dbraw/zinc/80/00/55/493800055.db2.gz AQLCTZSBCDTMHC-UHFFFAOYSA-N 1 3 368.525 3.070 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368502 493927754 /nfs/dbraw/zinc/92/77/54/493927754.db2.gz OBKWKRLFZVBWAI-CALCHBBNSA-N 1 3 350.478 3.026 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368502 493927759 /nfs/dbraw/zinc/92/77/59/493927759.db2.gz OBKWKRLFZVBWAI-CALCHBBNSA-N 1 3 350.478 3.026 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000084412960 494071543 /nfs/dbraw/zinc/07/15/43/494071543.db2.gz CDDXBSYKEIRDBR-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077412713 494078321 /nfs/dbraw/zinc/07/83/21/494078321.db2.gz TZFSBDBHBWOLOI-NRFANRHFSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280663 505699513 /nfs/dbraw/zinc/69/95/13/505699513.db2.gz CPUDEEUIBGGVGA-QRQLOZEOSA-N 1 3 369.509 3.274 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000064229294 494107318 /nfs/dbraw/zinc/10/73/18/494107318.db2.gz JVDRUYMGHUOIBG-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000064229294 494107320 /nfs/dbraw/zinc/10/73/20/494107320.db2.gz JVDRUYMGHUOIBG-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365686 494117625 /nfs/dbraw/zinc/11/76/25/494117625.db2.gz RPWOBXRMFFYOQS-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387482 494118218 /nfs/dbraw/zinc/11/82/18/494118218.db2.gz STEPAXXIZWRKPP-HZPDHXFCSA-N 1 3 366.575 3.161 20 0 FGADHO Brc1ccc(-c2c[nH]c(CNCC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000574139062 505702762 /nfs/dbraw/zinc/70/27/62/505702762.db2.gz XNUOMJRLUNSTOH-CYBMUJFWSA-N 1 3 363.303 3.319 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000073664043 494408600 /nfs/dbraw/zinc/40/86/00/494408600.db2.gz GIULDRORAQDWML-UHFFFAOYSA-N 1 3 357.542 3.230 20 0 FGADHO CC[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524588 494477976 /nfs/dbraw/zinc/47/79/76/494477976.db2.gz LRNDTDIBKYLQBI-AABGKKOBSA-N 1 3 374.525 3.266 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524009 494478385 /nfs/dbraw/zinc/47/83/85/494478385.db2.gz YTMAKLPQQXFEJQ-NQERJWCQSA-N 1 3 359.514 3.064 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937021 494505132 /nfs/dbraw/zinc/50/51/32/494505132.db2.gz GCYGJDHWLQUFDC-HXUWFJFHSA-N 1 3 355.482 3.198 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522443 494520014 /nfs/dbraw/zinc/52/00/14/494520014.db2.gz AOWBSSPKPACACT-HNNXBMFYSA-N 1 3 351.922 3.008 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067383218 494527576 /nfs/dbraw/zinc/52/75/76/494527576.db2.gz WWTHXTFMWLFABP-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067383218 494527580 /nfs/dbraw/zinc/52/75/80/494527580.db2.gz WWTHXTFMWLFABP-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000067406923 494533915 /nfs/dbraw/zinc/53/39/15/494533915.db2.gz ZXESVQMMYXXFLL-LJQANCHMSA-N 1 3 374.573 3.402 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000067411630 494534716 /nfs/dbraw/zinc/53/47/16/494534716.db2.gz CRNRJODNXSDSTQ-IBGZPJMESA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055569 494577866 /nfs/dbraw/zinc/57/78/66/494577866.db2.gz SHLIEIQVHQUJBG-FPOVZHCZSA-N 1 3 374.573 3.458 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000074714759 494581469 /nfs/dbraw/zinc/58/14/69/494581469.db2.gz DZKIWAOPTJYZLY-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000115813816 494628852 /nfs/dbraw/zinc/62/88/52/494628852.db2.gz APTJRHPKVSMNKG-CTNGQTDRSA-N 1 3 372.557 3.115 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000115813816 494628858 /nfs/dbraw/zinc/62/88/58/494628858.db2.gz APTJRHPKVSMNKG-CTNGQTDRSA-N 1 3 372.557 3.115 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000121218894 494653317 /nfs/dbraw/zinc/65/33/17/494653317.db2.gz MBHMNCVURAIKCZ-CVEARBPZSA-N 1 3 355.473 3.212 20 0 FGADHO Cc1ccc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420615 494703608 /nfs/dbraw/zinc/70/36/08/494703608.db2.gz PDBAHBAOCDWARY-OAQYLSRUSA-N 1 3 365.521 3.291 20 0 FGADHO Cc1ccc(C)c(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420615 494703615 /nfs/dbraw/zinc/70/36/15/494703615.db2.gz PDBAHBAOCDWARY-OAQYLSRUSA-N 1 3 365.521 3.291 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567447 494741659 /nfs/dbraw/zinc/74/16/59/494741659.db2.gz QNRCXDBTTFZLSL-NRFANRHFSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000116435234 494786300 /nfs/dbraw/zinc/78/63/00/494786300.db2.gz TTZXIIMSKRVHOM-KRWDZBQOSA-N 1 3 370.541 3.138 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000126546346 494786451 /nfs/dbraw/zinc/78/64/51/494786451.db2.gz RJQIKYFVANESDB-LJQANCHMSA-N 1 3 365.949 3.479 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121526658 494792147 /nfs/dbraw/zinc/79/21/47/494792147.db2.gz QDVJDEPJDHHTPE-VSKRKVRLSA-N 1 3 370.537 3.454 20 0 FGADHO O[C@@H](COc1ccc(F)cc1)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121628304 494825166 /nfs/dbraw/zinc/82/51/66/494825166.db2.gz JDDZNQODYWMIJX-HXUWFJFHSA-N 1 3 364.505 3.153 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745961 494831124 /nfs/dbraw/zinc/83/11/24/494831124.db2.gz PZEJEZRHMWMSJG-QGZVFWFLSA-N 1 3 367.493 3.014 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126769387 494834945 /nfs/dbraw/zinc/83/49/45/494834945.db2.gz YXEATFUHHFLKKF-JOCHJYFZSA-N 1 3 371.569 3.395 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093693410 494913721 /nfs/dbraw/zinc/91/37/21/494913721.db2.gz JMDYYLOFEDDLHY-HXUWFJFHSA-N 1 3 372.601 3.381 20 0 FGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OC ZINC000132805866 494927256 /nfs/dbraw/zinc/92/72/56/494927256.db2.gz OUVIKBRVOCGGTB-DLBZAZTESA-N 1 3 362.514 3.164 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000574338980 505750387 /nfs/dbraw/zinc/75/03/87/505750387.db2.gz ISFYRCLPIMTMSU-HZPDHXFCSA-N 1 3 352.906 3.256 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000574338980 505750392 /nfs/dbraw/zinc/75/03/92/505750392.db2.gz ISFYRCLPIMTMSU-HZPDHXFCSA-N 1 3 352.906 3.256 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190628 495058496 /nfs/dbraw/zinc/05/84/96/495058496.db2.gz GJFDVVRDYDCWRJ-BBRMVZONSA-N 1 3 367.946 3.054 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191107 495058606 /nfs/dbraw/zinc/05/86/06/495058606.db2.gz MRIAFPLPSYOYEV-STQMWFEESA-N 1 3 358.313 3.231 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000111474119 495080014 /nfs/dbraw/zinc/08/00/14/495080014.db2.gz NWTSSQOJPOGMFS-KRWDZBQOSA-N 1 3 360.546 3.069 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000128851760 495158917 /nfs/dbraw/zinc/15/89/17/495158917.db2.gz QRPTYQLDXQDSDU-XMMPIXPASA-N 1 3 365.565 3.456 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000128851760 495158919 /nfs/dbraw/zinc/15/89/19/495158919.db2.gz QRPTYQLDXQDSDU-XMMPIXPASA-N 1 3 365.565 3.456 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633726 495163519 /nfs/dbraw/zinc/16/35/19/495163519.db2.gz BCEHNENLPBYUSN-AGHHOFFYSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633726 495163523 /nfs/dbraw/zinc/16/35/23/495163523.db2.gz BCEHNENLPBYUSN-AGHHOFFYSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000128958900 495174575 /nfs/dbraw/zinc/17/45/75/495174575.db2.gz RBXFNGWCSDTWBG-LAUBAEHRSA-N 1 3 367.493 3.083 20 0 FGADHO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000120133993 495313637 /nfs/dbraw/zinc/31/36/37/495313637.db2.gz SXVJSPNMBWWUQL-CVDCTZTESA-N 1 3 365.521 3.276 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000105134689 495339956 /nfs/dbraw/zinc/33/99/56/495339956.db2.gz BERYCLKKYGRIOD-VQTJNVASSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000105134689 495339960 /nfs/dbraw/zinc/33/99/60/495339960.db2.gz BERYCLKKYGRIOD-VQTJNVASSA-N 1 3 364.578 3.301 20 0 FGADHO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCN1CCCCC1 ZINC000135892606 495341464 /nfs/dbraw/zinc/34/14/64/495341464.db2.gz NGTQVOZSXZSOOZ-DENIHFKCSA-N 1 3 358.574 3.408 20 0 FGADHO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCN1CCCCC1 ZINC000135892606 495341468 /nfs/dbraw/zinc/34/14/68/495341468.db2.gz NGTQVOZSXZSOOZ-DENIHFKCSA-N 1 3 358.574 3.408 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276431 495351543 /nfs/dbraw/zinc/35/15/43/495351543.db2.gz LMFCTLLGPOSNMW-OAQYLSRUSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105276431 495351546 /nfs/dbraw/zinc/35/15/46/495351546.db2.gz LMFCTLLGPOSNMW-OAQYLSRUSA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000114455167 495376859 /nfs/dbraw/zinc/37/68/59/495376859.db2.gz KQCIYQXTYAYSOY-GOSISDBHSA-N 1 3 357.542 3.276 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000136856656 495406242 /nfs/dbraw/zinc/40/62/42/495406242.db2.gz GYBGCFJMVUXVSO-UHFFFAOYSA-N 1 3 364.578 3.158 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000125356449 495431823 /nfs/dbraw/zinc/43/18/23/495431823.db2.gz IRLDLSPOXAMQSL-IIBYNOLFSA-N 1 3 358.482 3.020 20 0 FGADHO Cc1ccoc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000130907173 495465039 /nfs/dbraw/zinc/46/50/39/495465039.db2.gz ARKMWRYQGJRBPE-UHFFFAOYSA-N 1 3 369.509 3.048 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000125615727 495471703 /nfs/dbraw/zinc/47/17/03/495471703.db2.gz JGLBIVCHKFPWKN-IRXDYDNUSA-N 1 3 367.559 3.221 20 0 FGADHO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OCCN(C)C)c1 ZINC000173476450 495548140 /nfs/dbraw/zinc/54/81/40/495548140.db2.gz CEKNUNUZOYAALA-AYHJJNSGSA-N 1 3 374.529 3.072 20 0 FGADHO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OCCN(C)C)c1 ZINC000173476450 495548145 /nfs/dbraw/zinc/54/81/45/495548145.db2.gz CEKNUNUZOYAALA-AYHJJNSGSA-N 1 3 374.529 3.072 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444017 495566132 /nfs/dbraw/zinc/56/61/32/495566132.db2.gz DDOJEGUDKUBSNE-FXAWDEMLSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444017 495566141 /nfs/dbraw/zinc/56/61/41/495566141.db2.gz DDOJEGUDKUBSNE-FXAWDEMLSA-N 1 3 372.557 3.200 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286251 495569859 /nfs/dbraw/zinc/56/98/59/495569859.db2.gz NDHWTMYKODPRFV-GOSISDBHSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CC[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775862 505790934 /nfs/dbraw/zinc/79/09/34/505790934.db2.gz XNTBBHNBSCYUPP-RTWAWAEBSA-N 1 3 357.542 3.057 20 0 FGADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000571694787 505792406 /nfs/dbraw/zinc/79/24/06/505792406.db2.gz NUSBOKRYIWMVSE-OFAXGOBFSA-N 1 3 368.521 3.444 20 0 FGADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN1C1CCOCC1 ZINC000154466085 495624069 /nfs/dbraw/zinc/62/40/69/495624069.db2.gz GRRIINVINIABOS-OAQYLSRUSA-N 1 3 371.525 3.254 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185661598 495668407 /nfs/dbraw/zinc/66/84/07/495668407.db2.gz HMQGZNANVSNICT-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185661598 495668412 /nfs/dbraw/zinc/66/84/12/495668412.db2.gz HMQGZNANVSNICT-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000185661598 495668417 /nfs/dbraw/zinc/66/84/17/495668417.db2.gz HMQGZNANVSNICT-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185730949 495701460 /nfs/dbraw/zinc/70/14/60/495701460.db2.gz NOUJJJVFBXCWTG-IAGOWNOFSA-N 1 3 360.498 3.095 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1SC ZINC000150986632 495703676 /nfs/dbraw/zinc/70/36/76/495703676.db2.gz IAPSVRFVTZFMQB-HNNXBMFYSA-N 1 3 351.560 3.094 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834553 495712811 /nfs/dbraw/zinc/71/28/11/495712811.db2.gz ZZJZIQLQOBSBGT-LJQANCHMSA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834553 495712815 /nfs/dbraw/zinc/71/28/15/495712815.db2.gz ZZJZIQLQOBSBGT-LJQANCHMSA-N 1 3 371.529 3.058 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176611210 495720186 /nfs/dbraw/zinc/72/01/86/495720186.db2.gz NEURQADTXBDVRC-CTNGQTDRSA-N 1 3 372.557 3.165 20 0 FGADHO Cc1nc2ccccc2nc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171307223 495813397 /nfs/dbraw/zinc/81/33/97/495813397.db2.gz KXKOYMDQJLEVHV-IRXDYDNUSA-N 1 3 368.525 3.259 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180118960 495866519 /nfs/dbraw/zinc/86/65/19/495866519.db2.gz BCYCNFKBXBEAFF-CVDCTZTESA-N 1 3 367.537 3.400 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905699 /nfs/dbraw/zinc/90/56/99/495905699.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905706 /nfs/dbraw/zinc/90/57/06/495905706.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 ZINC000174414014 495948441 /nfs/dbraw/zinc/94/84/41/495948441.db2.gz VZYWLPHKXLZECP-ROUUACIJSA-N 1 3 370.497 3.248 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581561 496002332 /nfs/dbraw/zinc/00/23/32/496002332.db2.gz CLVOWCZRANWIAB-HZPDHXFCSA-N 1 3 355.473 3.273 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629425 496038448 /nfs/dbraw/zinc/03/84/48/496038448.db2.gz JQAWCDPGOPXXOX-HIFRSBDPSA-N 1 3 360.420 3.456 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629442 496038656 /nfs/dbraw/zinc/03/86/56/496038656.db2.gz JQAWCDPGOPXXOX-UKRRQHHQSA-N 1 3 360.420 3.456 20 0 FGADHO CC[C@@H](C)[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000155730723 496050202 /nfs/dbraw/zinc/05/02/02/496050202.db2.gz OUMYHHQJOBGZSH-NQIIRXRSSA-N 1 3 359.558 3.211 20 0 FGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974460 505822739 /nfs/dbraw/zinc/82/27/39/505822739.db2.gz ZCKZSJHKSTXREB-WIYYLYMNSA-N 1 3 368.525 3.413 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000156215500 496189771 /nfs/dbraw/zinc/18/97/71/496189771.db2.gz YNDBOHCTAPHEDH-GOSISDBHSA-N 1 3 368.525 3.342 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175172414 496277546 /nfs/dbraw/zinc/27/75/46/496277546.db2.gz NSAULUVVWQZNCH-UHFFFAOYSA-N 1 3 369.509 3.442 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(OCCN(C)C)c1 ZINC000178204704 496368802 /nfs/dbraw/zinc/36/88/02/496368802.db2.gz BFBVSSDETJYFJI-QGZVFWFLSA-N 1 3 370.493 3.292 20 0 FGADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000178220504 496375065 /nfs/dbraw/zinc/37/50/65/496375065.db2.gz YWBJKUIFGDVLFD-INIZCTEOSA-N 1 3 352.482 3.101 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508816 496417301 /nfs/dbraw/zinc/41/73/01/496417301.db2.gz JUSYTSMOPFCOCC-FGTMMUONSA-N 1 3 358.530 3.028 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508816 496417306 /nfs/dbraw/zinc/41/73/06/496417306.db2.gz JUSYTSMOPFCOCC-FGTMMUONSA-N 1 3 358.530 3.028 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848525 496421525 /nfs/dbraw/zinc/42/15/25/496421525.db2.gz LCWSSZRXXQBCJL-OYRHEFFESA-N 1 3 373.585 3.173 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000162872983 496427244 /nfs/dbraw/zinc/42/72/44/496427244.db2.gz OLRWETGAKULMEI-ULQDDVLXSA-N 1 3 350.503 3.244 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCCN1CCCC1 ZINC000178414493 496447527 /nfs/dbraw/zinc/44/75/27/496447527.db2.gz VOJCFGOEGXLYIK-AWEZNQCLSA-N 1 3 373.419 3.378 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCC[NH+]1CCCC1 ZINC000178414493 496447536 /nfs/dbraw/zinc/44/75/36/496447536.db2.gz VOJCFGOEGXLYIK-AWEZNQCLSA-N 1 3 373.419 3.378 20 0 FGADHO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178443642 496459022 /nfs/dbraw/zinc/45/90/22/496459022.db2.gz HHICXLQXQOGKNG-JXFKEZNVSA-N 1 3 358.482 3.020 20 0 FGADHO COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443642 496459024 /nfs/dbraw/zinc/45/90/24/496459024.db2.gz HHICXLQXQOGKNG-JXFKEZNVSA-N 1 3 358.482 3.020 20 0 FGADHO CC1(C(=O)NC2CCN(C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184618286 496464953 /nfs/dbraw/zinc/46/49/53/496464953.db2.gz HDLHTRFZMSIRLX-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccccc1 ZINC000184745217 496516688 /nfs/dbraw/zinc/51/66/88/496516688.db2.gz QIOJYILPHGNKKX-RTBURBONSA-N 1 3 365.521 3.049 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3nccnc3C)CC2)c1 ZINC000187732177 496550258 /nfs/dbraw/zinc/55/02/58/496550258.db2.gz GFEUFPUYANRGLB-IBGZPJMESA-N 1 3 367.541 3.346 20 0 FGADHO Clc1ccc(C[C@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095199 505851591 /nfs/dbraw/zinc/85/15/91/505851591.db2.gz JUBTXEWTILUWHE-SJLPKXTDSA-N 1 3 373.932 3.426 20 0 FGADHO C[C@H](CC1CCOCC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163938124 496571508 /nfs/dbraw/zinc/57/15/08/496571508.db2.gz FFCUYCLKMMPHMC-OAQYLSRUSA-N 1 3 373.585 3.379 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCCC2 ZINC000181860816 496575745 /nfs/dbraw/zinc/57/57/45/496575745.db2.gz OSBTWVQFOPOYBB-FGZHOGPDSA-N 1 3 372.553 3.471 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCCC2 ZINC000181860799 496575927 /nfs/dbraw/zinc/57/59/27/496575927.db2.gz OSBTWVQFOPOYBB-VXKWHMMOSA-N 1 3 372.553 3.471 20 0 FGADHO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](N)c1ccccc1 ZINC000164728852 496629594 /nfs/dbraw/zinc/62/95/94/496629594.db2.gz OBTPWHPNACEQCL-UWJYYQICSA-N 1 3 351.494 3.235 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529432 496661263 /nfs/dbraw/zinc/66/12/63/496661263.db2.gz SHWBERJFESXBDR-WIYYLYMNSA-N 1 3 369.509 3.359 20 0 FGADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846131 496705863 /nfs/dbraw/zinc/70/58/63/496705863.db2.gz DFUAEFZYCVYATF-KDOFPFPSSA-N 1 3 351.922 3.042 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(OCCN(C)C)c1 ZINC000168150982 496708935 /nfs/dbraw/zinc/70/89/35/496708935.db2.gz LGUMUMWUXYYRHG-AEFFLSMTSA-N 1 3 372.488 3.091 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000182225606 496713588 /nfs/dbraw/zinc/71/35/88/496713588.db2.gz BPEJVMKONJSOFQ-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000182225606 496713593 /nfs/dbraw/zinc/71/35/93/496713593.db2.gz BPEJVMKONJSOFQ-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO CS[C@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354694 496731105 /nfs/dbraw/zinc/73/11/05/496731105.db2.gz CAIDHYHLEMBAEU-ROUUACIJSA-N 1 3 372.644 3.438 20 0 FGADHO CS[C@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354694 496731106 /nfs/dbraw/zinc/73/11/06/496731106.db2.gz CAIDHYHLEMBAEU-ROUUACIJSA-N 1 3 372.644 3.438 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1 ZINC000580894137 505862902 /nfs/dbraw/zinc/86/29/02/505862902.db2.gz AGDTWPSQUVCWQU-UHFFFAOYSA-N 1 3 366.509 3.189 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247019898 496754179 /nfs/dbraw/zinc/75/41/79/496754179.db2.gz MUVQGGHLJLQJAA-BRWVUGGUSA-N 1 3 365.493 3.022 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247061976 496767553 /nfs/dbraw/zinc/76/75/53/496767553.db2.gz PONDWBPJYRNQDB-NXNVCVFFSA-N 1 3 351.922 3.246 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247061976 496767555 /nfs/dbraw/zinc/76/75/55/496767555.db2.gz PONDWBPJYRNQDB-NXNVCVFFSA-N 1 3 351.922 3.246 20 0 FGADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140799 496791310 /nfs/dbraw/zinc/79/13/10/496791310.db2.gz SILJVOLGSNXUBW-GMAHTHKFSA-N 1 3 372.601 3.217 20 0 FGADHO COC[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000247146736 496792611 /nfs/dbraw/zinc/79/26/11/496792611.db2.gz YEPOFGYSAPNOBW-WOJBJXKFSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000247146736 496792619 /nfs/dbraw/zinc/79/26/19/496792619.db2.gz YEPOFGYSAPNOBW-WOJBJXKFSA-N 1 3 360.542 3.403 20 0 FGADHO CN1CCC(CN[C@@H](c2cccs2)c2ncc[nH]2)([NH+]2CCCCC2)CC1 ZINC000195046954 496802742 /nfs/dbraw/zinc/80/27/42/496802742.db2.gz MDIKNEHSBGCBSC-SFHVURJKSA-N 1 3 373.570 3.101 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000268870870 496810485 /nfs/dbraw/zinc/81/04/85/496810485.db2.gz KDUOBYFUBZMJTI-WGDIFIGCSA-N 1 3 374.550 3.258 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000247240743 496812598 /nfs/dbraw/zinc/81/25/98/496812598.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000247240743 496812603 /nfs/dbraw/zinc/81/26/03/496812603.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000191595063 496826357 /nfs/dbraw/zinc/82/63/57/496826357.db2.gz NOFRHDFYHKUACR-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@H]21 ZINC000268972591 496839552 /nfs/dbraw/zinc/83/95/52/496839552.db2.gz ATZFHJXLBGEYST-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@H]21 ZINC000268972591 496839556 /nfs/dbraw/zinc/83/95/56/496839556.db2.gz ATZFHJXLBGEYST-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(CC)C[C@H]3C)CC2)cs1 ZINC000247979356 496937101 /nfs/dbraw/zinc/93/71/01/496937101.db2.gz IETMZUHPKHEASP-VQIMIIECSA-N 1 3 364.603 3.237 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554112 497036865 /nfs/dbraw/zinc/03/68/65/497036865.db2.gz HPHGWECGPKZWOY-FRQCXROJSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554112 497036868 /nfs/dbraw/zinc/03/68/68/497036868.db2.gz HPHGWECGPKZWOY-FRQCXROJSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248554112 497036870 /nfs/dbraw/zinc/03/68/70/497036870.db2.gz HPHGWECGPKZWOY-FRQCXROJSA-N 1 3 366.933 3.322 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911190 505882007 /nfs/dbraw/zinc/88/20/07/505882007.db2.gz MOJJWFMXUVKHNC-XXHMAFKTSA-N 1 3 356.489 3.032 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722691 497088439 /nfs/dbraw/zinc/08/84/39/497088439.db2.gz MJQPIFTUYSZUNZ-LLTZGFESSA-N 1 3 352.522 3.444 20 0 FGADHO CCOC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828294 497113109 /nfs/dbraw/zinc/11/31/09/497113109.db2.gz GTSPNQWSAKCTJB-HAGHYFMRSA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828294 497113112 /nfs/dbraw/zinc/11/31/12/497113112.db2.gz GTSPNQWSAKCTJB-HAGHYFMRSA-N 1 3 357.498 3.002 20 0 FGADHO CCCN1CCN(c2ccccc2CN[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236804243 497149107 /nfs/dbraw/zinc/14/91/07/497149107.db2.gz ADZOPEXJRWMQOZ-LEWJYISDSA-N 1 3 358.574 3.181 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236818115 497150732 /nfs/dbraw/zinc/15/07/32/497150732.db2.gz XMQKHUNEPAAOFG-OAQYLSRUSA-N 1 3 365.521 3.247 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000236823731 497151943 /nfs/dbraw/zinc/15/19/43/497151943.db2.gz GNXHXUCNGVTTCG-NHCUHLMSSA-N 1 3 353.510 3.146 20 0 FGADHO CCC(CC)(CNC(=O)C[C@@H]1CSCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000236844697 497156213 /nfs/dbraw/zinc/15/62/13/497156213.db2.gz VEXLHFLRMZYRJK-FUHWJXTLSA-N 1 3 363.571 3.107 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236911172 497166791 /nfs/dbraw/zinc/16/67/91/497166791.db2.gz WVKZYXFXQUMTRK-SJLPKXTDSA-N 1 3 371.447 3.075 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237062027 497186110 /nfs/dbraw/zinc/18/61/10/497186110.db2.gz GSSSNNSZVNZCLI-UHFFFAOYSA-N 1 3 355.482 3.099 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301492 497190489 /nfs/dbraw/zinc/19/04/89/497190489.db2.gz SAJPEXBBCWGWOP-RBUKOAKNSA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301492 497190493 /nfs/dbraw/zinc/19/04/93/497190493.db2.gz SAJPEXBBCWGWOP-RBUKOAKNSA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC000192720196 497194967 /nfs/dbraw/zinc/19/49/67/497194967.db2.gz HKVBTLRVQQMGQG-UHFFFAOYSA-N 1 3 370.541 3.423 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@H](C)C1 ZINC000265946149 497214680 /nfs/dbraw/zinc/21/46/80/497214680.db2.gz JQMGSCIQJIHHTF-NQIIRXRSSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@H](C)C1 ZINC000265946149 497214685 /nfs/dbraw/zinc/21/46/85/497214685.db2.gz JQMGSCIQJIHHTF-NQIIRXRSSA-N 1 3 357.542 3.475 20 0 FGADHO COc1cccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237312939 497218242 /nfs/dbraw/zinc/21/82/42/497218242.db2.gz BANIWTOSCXOPLI-RTWAWAEBSA-N 1 3 367.493 3.038 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000270921294 497226868 /nfs/dbraw/zinc/22/68/68/497226868.db2.gz JXEPNGSBPCIKMT-GOSISDBHSA-N 1 3 357.542 3.087 20 0 FGADHO c1cnn([C@@H]2CCCC[C@@H]2NCCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000251682747 497280657 /nfs/dbraw/zinc/28/06/57/497280657.db2.gz NSDLMROVQLUZEE-XSDIEEQYSA-N 1 3 370.545 3.317 20 0 FGADHO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCCN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000251682747 497280664 /nfs/dbraw/zinc/28/06/64/497280664.db2.gz NSDLMROVQLUZEE-XSDIEEQYSA-N 1 3 370.545 3.317 20 0 FGADHO [NH3+][C@@H](CCC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000237948750 497318299 /nfs/dbraw/zinc/31/82/99/497318299.db2.gz NMUBLWLVHHKKFB-LEWJYISDSA-N 1 3 351.494 3.420 20 0 FGADHO NC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000238030176 497330439 /nfs/dbraw/zinc/33/04/39/497330439.db2.gz ZUHGDKZKEIIFJQ-OAQYLSRUSA-N 1 3 351.494 3.031 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000279157999 497351692 /nfs/dbraw/zinc/35/16/92/497351692.db2.gz TWRFWJJMNLMCOQ-WKCHPHFGSA-N 1 3 364.493 3.325 20 0 FGADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147879 505901455 /nfs/dbraw/zinc/90/14/55/505901455.db2.gz YAPJDRIXCBMUMF-FYYLOGMGSA-N 1 3 374.488 3.260 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)c4ccccc43)CC2)CC1 ZINC000575000622 505902188 /nfs/dbraw/zinc/90/21/88/505902188.db2.gz IOFMLISGBLYLHF-QGZVFWFLSA-N 1 3 355.526 3.333 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558921 497383250 /nfs/dbraw/zinc/38/32/50/497383250.db2.gz WLVTWIVGHCHECA-RCCFBDPRSA-N 1 3 350.503 3.330 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275656236 497394431 /nfs/dbraw/zinc/39/44/31/497394431.db2.gz NJPUFPDIEXCXLT-UHFFFAOYSA-N 1 3 374.554 3.448 20 0 FGADHO C[C@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261608301 497418391 /nfs/dbraw/zinc/41/83/91/497418391.db2.gz RUXOTQHUUKJONV-QUCCMNQESA-N 1 3 357.542 3.135 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193619026 497429137 /nfs/dbraw/zinc/42/91/37/497429137.db2.gz XETPTVDRBPWZFT-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)cs1 ZINC000261681728 497432227 /nfs/dbraw/zinc/43/22/27/497432227.db2.gz AHHBKGYTARSBEH-SFHVURJKSA-N 1 3 357.523 3.235 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245652602 497489979 /nfs/dbraw/zinc/48/99/79/497489979.db2.gz CAWAJPFEYCRROI-JFIYKMOQSA-N 1 3 366.575 3.161 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670574 497495092 /nfs/dbraw/zinc/49/50/92/497495092.db2.gz HHEFVXZJJJAXOS-MYGLTJDJSA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670574 497495096 /nfs/dbraw/zinc/49/50/96/497495096.db2.gz HHEFVXZJJJAXOS-MYGLTJDJSA-N 1 3 362.521 3.446 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236930 497527575 /nfs/dbraw/zinc/52/75/75/497527575.db2.gz OQOPDPURJWHSPL-DOTOQJQBSA-N 1 3 363.571 3.126 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883062 497559165 /nfs/dbraw/zinc/55/91/65/497559165.db2.gz LENYTBJVOQXQHQ-BHDDXSALSA-N 1 3 371.569 3.117 20 0 FGADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349579 505914590 /nfs/dbraw/zinc/91/45/90/505914590.db2.gz PKAPVBSJMFLQAQ-ILOCAZANSA-N 1 3 360.502 3.068 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373299 505919948 /nfs/dbraw/zinc/91/99/48/505919948.db2.gz POCOTVZTOHVYQN-GDBMZVCRSA-N 1 3 364.534 3.317 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000268042119 497666587 /nfs/dbraw/zinc/66/65/87/497666587.db2.gz YNHUBPCPPRHFJE-NRSPTQNISA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000268042119 497666591 /nfs/dbraw/zinc/66/65/91/497666591.db2.gz YNHUBPCPPRHFJE-NRSPTQNISA-N 1 3 372.557 3.114 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246652 497673917 /nfs/dbraw/zinc/67/39/17/497673917.db2.gz DUXKXKSJFFIKIG-KBAYOESNSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246652 497673919 /nfs/dbraw/zinc/67/39/19/497673919.db2.gz DUXKXKSJFFIKIG-KBAYOESNSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246652 497673920 /nfs/dbraw/zinc/67/39/20/497673920.db2.gz DUXKXKSJFFIKIG-KBAYOESNSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000246246652 497673921 /nfs/dbraw/zinc/67/39/21/497673921.db2.gz DUXKXKSJFFIKIG-KBAYOESNSA-N 1 3 356.432 3.025 20 0 FGADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000246422798 497729620 /nfs/dbraw/zinc/72/96/20/497729620.db2.gz NHQUTAGPMZUQAA-RRQGHBQHSA-N 1 3 351.560 3.432 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191298274 497773258 /nfs/dbraw/zinc/77/32/58/497773258.db2.gz QCYMKUCHVGJXME-XLIONFOSSA-N 1 3 357.542 3.324 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246579370 497780100 /nfs/dbraw/zinc/78/01/00/497780100.db2.gz SBBPGSYGNYDTRT-RBBKRZOGSA-N 1 3 365.521 3.447 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246579370 497780102 /nfs/dbraw/zinc/78/01/02/497780102.db2.gz SBBPGSYGNYDTRT-RBBKRZOGSA-N 1 3 365.521 3.447 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704729 497802099 /nfs/dbraw/zinc/80/20/99/497802099.db2.gz WOCNUTYVFFAQDK-RMVXJAJNSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000246750985 497808073 /nfs/dbraw/zinc/80/80/73/497808073.db2.gz ZVZSKLIPLNJNEK-CZTZKLFOSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000246750985 497808074 /nfs/dbraw/zinc/80/80/74/497808074.db2.gz ZVZSKLIPLNJNEK-CZTZKLFOSA-N 1 3 365.521 3.303 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000364263369 497867328 /nfs/dbraw/zinc/86/73/28/497867328.db2.gz WBTISYQKLYEKBO-HXUWFJFHSA-N 1 3 363.590 3.218 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000569473877 505943699 /nfs/dbraw/zinc/94/36/99/505943699.db2.gz YQULFJAEAKHNON-WOJBJXKFSA-N 1 3 361.574 3.220 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000364453129 497965221 /nfs/dbraw/zinc/96/52/21/497965221.db2.gz AXXKBVPRGKZASM-LMDOGRNLSA-N 1 3 368.521 3.352 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000364453129 497965228 /nfs/dbraw/zinc/96/52/28/497965228.db2.gz AXXKBVPRGKZASM-LMDOGRNLSA-N 1 3 368.521 3.352 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000578502958 505956190 /nfs/dbraw/zinc/95/61/90/505956190.db2.gz WXSFYDBQZISGSI-VLIAUNLRSA-N 1 3 370.472 3.284 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162023 498038741 /nfs/dbraw/zinc/03/87/41/498038741.db2.gz HFYKCTIQPLCEQC-JOCHJYFZSA-N 1 3 368.500 3.209 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2F)CC1 ZINC000569596214 505972813 /nfs/dbraw/zinc/97/28/13/505972813.db2.gz ZVCMODVMNWWHHU-FXAWDEMLSA-N 1 3 372.484 3.381 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289247262 498076562 /nfs/dbraw/zinc/07/65/62/498076562.db2.gz LOZBKSCEGXAWAD-PIKOESSRSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289247262 498076568 /nfs/dbraw/zinc/07/65/68/498076568.db2.gz LOZBKSCEGXAWAD-PIKOESSRSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483604 505979622 /nfs/dbraw/zinc/97/96/22/505979622.db2.gz HJHSAIPQGXFNER-MTNREXPMSA-N 1 3 365.521 3.339 20 0 FGADHO CCn1ccnc1[C@@H](C)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000296698875 498159608 /nfs/dbraw/zinc/15/96/08/498159608.db2.gz HNWUVPULQXORCE-GOSISDBHSA-N 1 3 356.514 3.271 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000569699051 505996641 /nfs/dbraw/zinc/99/66/41/505996641.db2.gz HUHVZOHBLZMXDL-RHSMWYFYSA-N 1 3 351.560 3.294 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000281601304 498209040 /nfs/dbraw/zinc/20/90/40/498209040.db2.gz MGACJARNBYCAKU-XUVXKRRUSA-N 1 3 362.489 3.179 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C4CCC4)c3)CC2)CC1 ZINC000281610609 498213096 /nfs/dbraw/zinc/21/30/96/498213096.db2.gz MWEZXVSTWYLXLN-UHFFFAOYSA-N 1 3 355.526 3.243 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486900 505999408 /nfs/dbraw/zinc/99/94/08/505999408.db2.gz INBXPRHVAXFWSU-YJBOKZPZSA-N 1 3 371.447 3.334 20 0 FGADHO C[C@H](N[C@H]1C[C@@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951865 498224317 /nfs/dbraw/zinc/22/43/17/498224317.db2.gz ICQHARGCDCLQIV-ZJBJCVSYSA-N 1 3 354.494 3.499 20 0 FGADHO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738850 506009829 /nfs/dbraw/zinc/00/98/29/506009829.db2.gz FXFNSVFGNVCCOH-WBVHZDCISA-N 1 3 370.440 3.015 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCCN1CCN(C)CC1 ZINC000572639406 506018120 /nfs/dbraw/zinc/01/81/20/506018120.db2.gz FLOVMJALWSQJOT-OAQYLSRUSA-N 1 3 354.542 3.471 20 0 FGADHO Cc1ccccc1C(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000297231042 498368353 /nfs/dbraw/zinc/36/83/53/498368353.db2.gz NFXXREYVGDJORJ-UHFFFAOYSA-N 1 3 372.557 3.088 20 0 FGADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000289984595 498381357 /nfs/dbraw/zinc/38/13/57/498381357.db2.gz YATSNUPKWJSSTL-CEMLEFRQSA-N 1 3 369.553 3.134 20 0 FGADHO c1nn(-c2ccccc2)cc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601907 506025472 /nfs/dbraw/zinc/02/54/72/506025472.db2.gz WZXSNVVTEPZVHU-GGAORHGYSA-N 1 3 374.488 3.260 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477716 498410352 /nfs/dbraw/zinc/41/03/52/498410352.db2.gz VAWIBXWBDKBEHQ-SFHVURJKSA-N 1 3 351.922 3.181 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000569846276 506029871 /nfs/dbraw/zinc/02/98/71/506029871.db2.gz HQDQXWGNNBYNQP-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO Fc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297472968 498461713 /nfs/dbraw/zinc/46/17/13/498461713.db2.gz RKCLNZDMXGLXCC-KRWDZBQOSA-N 1 3 354.473 3.306 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824748 498501925 /nfs/dbraw/zinc/50/19/25/498501925.db2.gz AHMCLVAEBHNSDO-OAQYLSRUSA-N 1 3 367.537 3.128 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297627960 498516227 /nfs/dbraw/zinc/51/62/27/498516227.db2.gz LUDQSTOJGDESBQ-PGRDOPGGSA-N 1 3 350.510 3.161 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000365709726 498608525 /nfs/dbraw/zinc/60/85/25/498608525.db2.gz FLLRHUXDRSZUIK-CAOKTKFFSA-N 1 3 364.578 3.154 20 0 FGADHO C[C@H](CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303067019 498646669 /nfs/dbraw/zinc/64/66/69/498646669.db2.gz NKBKGAWTJOFAPV-SLFFLAALSA-N 1 3 366.594 3.164 20 0 FGADHO COC(=O)c1csc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)n1 ZINC000298047146 498648748 /nfs/dbraw/zinc/64/87/48/498648748.db2.gz IBJDLWXYEVFTCY-UHFFFAOYSA-N 1 3 371.506 3.313 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366001226 498725864 /nfs/dbraw/zinc/72/58/64/498725864.db2.gz NUFVMKNMCIRPCO-KXBFYZLASA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366001226 498725871 /nfs/dbraw/zinc/72/58/71/498725871.db2.gz NUFVMKNMCIRPCO-KXBFYZLASA-N 1 3 357.523 3.233 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311520725 498751784 /nfs/dbraw/zinc/75/17/84/498751784.db2.gz JFBUISODLPZXEW-UTKZUKDTSA-N 1 3 352.478 3.473 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000313115931 498765909 /nfs/dbraw/zinc/76/59/09/498765909.db2.gz ZSEVLTPXKUEDOQ-YPAWHYETSA-N 1 3 364.489 3.473 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 ZINC000291113140 498801080 /nfs/dbraw/zinc/80/10/80/498801080.db2.gz KOIBLAPAZFMQTC-HWHRFOGPSA-N 1 3 371.569 3.007 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209437 498824581 /nfs/dbraw/zinc/82/45/81/498824581.db2.gz KDAILCGKBBPRQE-OKZBNKHCSA-N 1 3 357.498 3.158 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209437 498824584 /nfs/dbraw/zinc/82/45/84/498824584.db2.gz KDAILCGKBBPRQE-OKZBNKHCSA-N 1 3 357.498 3.158 20 0 FGADHO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000581953632 506099790 /nfs/dbraw/zinc/09/97/90/506099790.db2.gz UWPZSMWFOJGELK-LAUBAEHRSA-N 1 3 353.510 3.212 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1)C1CCN(C)CC1 ZINC000295203038 498943014 /nfs/dbraw/zinc/94/30/14/498943014.db2.gz KKMUDWPCRFVXHZ-FQEVSTJZSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H](O)CC(C)(C)C1)C1CCN(C)CC1 ZINC000295203038 498943022 /nfs/dbraw/zinc/94/30/22/498943022.db2.gz KKMUDWPCRFVXHZ-FQEVSTJZSA-N 1 3 359.558 3.200 20 0 FGADHO Cc1csc(=O)n1CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366582120 498989001 /nfs/dbraw/zinc/98/90/01/498989001.db2.gz NUSZFIQQUXKACA-UHFFFAOYSA-N 1 3 371.550 3.206 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362795 498992138 /nfs/dbraw/zinc/99/21/38/498992138.db2.gz XUEMVKZANZUOAB-VQTJNVASSA-N 1 3 374.525 3.096 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000363788813 498993618 /nfs/dbraw/zinc/99/36/18/498993618.db2.gz YCZJUKVZTNXMFM-ROUUACIJSA-N 1 3 369.557 3.152 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000363811391 499005429 /nfs/dbraw/zinc/00/54/29/499005429.db2.gz CQLODYIKNFSURL-NRFANRHFSA-N 1 3 361.505 3.331 20 0 FGADHO CN1CCCC[C@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877670 499035536 /nfs/dbraw/zinc/03/55/36/499035536.db2.gz DUMFWMDSNIMMMH-RBUKOAKNSA-N 1 3 371.573 3.448 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291865741 499087996 /nfs/dbraw/zinc/08/79/96/499087996.db2.gz GZWORDBRFQLICD-NQIIRXRSSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291865741 499087997 /nfs/dbraw/zinc/08/79/97/499087997.db2.gz GZWORDBRFQLICD-NQIIRXRSSA-N 1 3 357.542 3.230 20 0 FGADHO Cc1ccc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000367027595 499136036 /nfs/dbraw/zinc/13/60/36/499136036.db2.gz GGJOUXVTUNTGMU-RBBKRZOGSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852762 499139438 /nfs/dbraw/zinc/13/94/38/499139438.db2.gz OMYZBEQLDZHEEJ-SCWSEQNSSA-N 1 3 372.534 3.434 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CC1 ZINC000367064084 499142255 /nfs/dbraw/zinc/14/22/55/499142255.db2.gz BFWJSPSWJCOWKX-HXUWFJFHSA-N 1 3 369.557 3.089 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CC1 ZINC000367064084 499142256 /nfs/dbraw/zinc/14/22/56/499142256.db2.gz BFWJSPSWJCOWKX-HXUWFJFHSA-N 1 3 369.557 3.089 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892260 499146822 /nfs/dbraw/zinc/14/68/22/499146822.db2.gz LPEKFJOXIFFIIZ-NQIIRXRSSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892260 499146825 /nfs/dbraw/zinc/14/68/25/499146825.db2.gz LPEKFJOXIFFIIZ-NQIIRXRSSA-N 1 3 372.557 3.084 20 0 FGADHO COc1ccc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1OC ZINC000367687516 499224883 /nfs/dbraw/zinc/22/48/83/499224883.db2.gz NPYALFAFVOQZFW-UHFFFAOYSA-N 1 3 371.481 3.208 20 0 FGADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637554 499238206 /nfs/dbraw/zinc/23/82/06/499238206.db2.gz UWEPHPWSJCSVGW-LPHOPBHVSA-N 1 3 367.484 3.497 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000582124924 506140029 /nfs/dbraw/zinc/14/00/29/506140029.db2.gz YXOYTWZEAAMAFF-SFHVURJKSA-N 1 3 355.457 3.396 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000369047786 499360238 /nfs/dbraw/zinc/36/02/38/499360238.db2.gz LMXVPFQTIIQNEV-JOCHJYFZSA-N 1 3 372.557 3.071 20 0 FGADHO C(CN1CCCC2(CCOCC2)C1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000369368624 499396154 /nfs/dbraw/zinc/39/61/54/499396154.db2.gz HNCRTQBDICNSCQ-UHFFFAOYSA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCCC2(CCOCC2)C1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000369368624 499396156 /nfs/dbraw/zinc/39/61/56/499396156.db2.gz HNCRTQBDICNSCQ-UHFFFAOYSA-N 1 3 350.547 3.162 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369680669 499435539 /nfs/dbraw/zinc/43/55/39/499435539.db2.gz WEZSCSOIDQCBPW-OAHLLOKOSA-N 1 3 355.482 3.241 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369680669 499435542 /nfs/dbraw/zinc/43/55/42/499435542.db2.gz WEZSCSOIDQCBPW-OAHLLOKOSA-N 1 3 355.482 3.241 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000369732960 499439514 /nfs/dbraw/zinc/43/95/14/499439514.db2.gz SVFBGJWQDVHRKT-XVAXZDLZSA-N 1 3 370.541 3.140 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231145 506149008 /nfs/dbraw/zinc/14/90/08/506149008.db2.gz UOOWDJOSPRSPMO-AZUAARDMSA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231145 506149012 /nfs/dbraw/zinc/14/90/12/506149012.db2.gz UOOWDJOSPRSPMO-AZUAARDMSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CNCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660706 499542562 /nfs/dbraw/zinc/54/25/62/499542562.db2.gz CTACDIMKQYTZKU-NQSCKRDGSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CNCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660706 499542563 /nfs/dbraw/zinc/54/25/63/499542563.db2.gz CTACDIMKQYTZKU-NQSCKRDGSA-N 1 3 363.505 3.043 20 0 FGADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000382724671 499546231 /nfs/dbraw/zinc/54/62/31/499546231.db2.gz RCNGBJKGQMIDAK-SFTDATJTSA-N 1 3 357.542 3.265 20 0 FGADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000382724671 499546232 /nfs/dbraw/zinc/54/62/32/499546232.db2.gz RCNGBJKGQMIDAK-SFTDATJTSA-N 1 3 357.542 3.265 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845320 499553116 /nfs/dbraw/zinc/55/31/16/499553116.db2.gz NEKWVQHRFYZBFZ-QMMLZNLJSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(I)cc1 ZINC000392298561 499558468 /nfs/dbraw/zinc/55/84/68/499558468.db2.gz XRSDNIREPPYBCB-GFCCVEGCSA-N 1 3 356.251 3.204 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959360 499565823 /nfs/dbraw/zinc/56/58/23/499565823.db2.gz DCWQVHBKICWDCE-KSEOMHKRSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959360 499565824 /nfs/dbraw/zinc/56/58/24/499565824.db2.gz DCWQVHBKICWDCE-KSEOMHKRSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1nccn1CCCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000409446119 499596644 /nfs/dbraw/zinc/59/66/44/499596644.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 1 3 352.526 3.426 20 0 FGADHO Cc1nccn1CCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000409446119 499596645 /nfs/dbraw/zinc/59/66/45/499596645.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 1 3 352.526 3.426 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000376547068 499617197 /nfs/dbraw/zinc/61/71/97/499617197.db2.gz GXNPSNHGMVTFLG-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000576420096 506153592 /nfs/dbraw/zinc/15/35/92/506153592.db2.gz IDONTSXDWLXJHE-OAQYLSRUSA-N 1 3 372.557 3.018 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000410349444 499656959 /nfs/dbraw/zinc/65/69/59/499656959.db2.gz PVVQECGDUZCFHX-KDURUIRLSA-N 1 3 352.563 3.405 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000377103414 499662471 /nfs/dbraw/zinc/66/24/71/499662471.db2.gz GZUREYYKTQGOCJ-UHFFFAOYSA-N 1 3 351.579 3.074 20 0 FGADHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377688181 499720254 /nfs/dbraw/zinc/72/02/54/499720254.db2.gz AAQYKUTWMWUXEI-YZGWKJHDSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377688181 499720257 /nfs/dbraw/zinc/72/02/57/499720257.db2.gz AAQYKUTWMWUXEI-YZGWKJHDSA-N 1 3 370.493 3.204 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(c3ccncc3)CC2)o1 ZINC000377694661 499721207 /nfs/dbraw/zinc/72/12/07/499721207.db2.gz HFVXXBJDBCRGMJ-UHFFFAOYSA-N 1 3 351.454 3.474 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCN(c3ccncc3)CC2)o1 ZINC000377694661 499721208 /nfs/dbraw/zinc/72/12/08/499721208.db2.gz HFVXXBJDBCRGMJ-UHFFFAOYSA-N 1 3 351.454 3.474 20 0 FGADHO c1cn(-c2ccc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729324 /nfs/dbraw/zinc/72/93/24/499729324.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 1 3 373.504 3.221 20 0 FGADHO c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729325 /nfs/dbraw/zinc/72/93/25/499729325.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 1 3 373.504 3.221 20 0 FGADHO CC(C)C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414203839 499768423 /nfs/dbraw/zinc/76/84/23/499768423.db2.gz VOELMZKHSGHFJI-OAQYLSRUSA-N 1 3 359.558 3.160 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000414337874 499778905 /nfs/dbraw/zinc/77/89/05/499778905.db2.gz JWDSSESYRUIJJA-PMACEKPBSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414342939 499779287 /nfs/dbraw/zinc/77/92/87/499779287.db2.gz PVFIZMNKHWAHLG-VQTJNVASSA-N 1 3 357.542 3.298 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000414344989 499779514 /nfs/dbraw/zinc/77/95/14/499779514.db2.gz SECBOLUNIJMBSP-OAQYLSRUSA-N 1 3 355.526 3.052 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361521 499780850 /nfs/dbraw/zinc/78/08/50/499780850.db2.gz CPFJCFRGPICAPP-HDICACEKSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361521 499780852 /nfs/dbraw/zinc/78/08/52/499780852.db2.gz CPFJCFRGPICAPP-HDICACEKSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414383712 499784272 /nfs/dbraw/zinc/78/42/72/499784272.db2.gz UOEMAUJTBJMLRZ-QZTJIDSGSA-N 1 3 356.432 3.481 20 0 FGADHO C[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000414531780 499803801 /nfs/dbraw/zinc/80/38/01/499803801.db2.gz ZXOKTUXUPQCBIY-HXUWFJFHSA-N 1 3 352.522 3.482 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccc(Cl)cc3)cc2)CC1 ZINC000414560004 499809098 /nfs/dbraw/zinc/80/90/98/499809098.db2.gz VSIDKHIESOACTR-UHFFFAOYSA-N 1 3 371.912 3.327 20 0 FGADHO CC[C@](C[NH2+]C1CCN(c2ccncc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414584678 499811758 /nfs/dbraw/zinc/81/17/58/499811758.db2.gz JQHUULZLXDMNHS-JOCHJYFZSA-N 1 3 367.493 3.161 20 0 FGADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412014822 499813185 /nfs/dbraw/zinc/81/31/85/499813185.db2.gz RBMSLBPWJTTYDF-FCHUYYIVSA-N 1 3 369.553 3.388 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2F)C2CCCCC2)C1 ZINC000414691838 499820647 /nfs/dbraw/zinc/82/06/47/499820647.db2.gz JVEAJKDDRWUJAR-KRWDZBQOSA-N 1 3 361.505 3.158 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2F)C2CCCCC2)C1 ZINC000414691838 499820648 /nfs/dbraw/zinc/82/06/48/499820648.db2.gz JVEAJKDDRWUJAR-KRWDZBQOSA-N 1 3 361.505 3.158 20 0 FGADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)c(Cl)c1 ZINC000414709150 499821884 /nfs/dbraw/zinc/82/18/84/499821884.db2.gz ORSGGXCBUOMMPG-LBPRGKRZSA-N 1 3 358.313 3.015 20 0 FGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412170138 499830043 /nfs/dbraw/zinc/83/00/43/499830043.db2.gz KBMGXBMPBSZJRV-UHFFFAOYSA-N 1 3 369.509 3.470 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414831382 499835231 /nfs/dbraw/zinc/83/52/31/499835231.db2.gz DBUSLFFVEKMYFY-CRAIPNDOSA-N 1 3 352.906 3.377 20 0 FGADHO Clc1cccc(-n2cc(CNCC[C@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000414834180 499835642 /nfs/dbraw/zinc/83/56/42/499835642.db2.gz GZJADVDFRWZEKJ-GFCCVEGCSA-N 1 3 354.285 3.053 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414838665 499836232 /nfs/dbraw/zinc/83/62/32/499836232.db2.gz INDCTZOFWQMNRO-ZDUSSCGKSA-N 1 3 353.894 3.317 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853044 499838141 /nfs/dbraw/zinc/83/81/41/499838141.db2.gz KNMSVPQANPTALI-VYDXJSESSA-N 1 3 351.922 3.055 20 0 FGADHO COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H](C)C[NH3+])cc1 ZINC000414870270 499839830 /nfs/dbraw/zinc/83/98/30/499839830.db2.gz BXJQIOPRSJSKAY-MRXNPFEDSA-N 1 3 350.466 3.232 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCN1 ZINC000414940941 499847076 /nfs/dbraw/zinc/84/70/76/499847076.db2.gz BZYWEZCPDVCIHQ-YOEHRIQHSA-N 1 3 366.347 3.144 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371643 499849584 /nfs/dbraw/zinc/84/95/84/499849584.db2.gz ZWDNPOYQPYJRKH-JOCHJYFZSA-N 1 3 355.526 3.230 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371643 499849586 /nfs/dbraw/zinc/84/95/86/499849586.db2.gz ZWDNPOYQPYJRKH-JOCHJYFZSA-N 1 3 355.526 3.230 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073041 499861018 /nfs/dbraw/zinc/86/10/18/499861018.db2.gz YVVDOQVXHDBIHO-WBMJQRKESA-N 1 3 368.319 3.273 20 0 FGADHO O=c1ccccn1Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415080505 499861539 /nfs/dbraw/zinc/86/15/39/499861539.db2.gz LTZCDGRNFXGRPM-GOTSBHOMSA-N 1 3 373.500 3.480 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122371 499866464 /nfs/dbraw/zinc/86/64/64/499866464.db2.gz JXLDVZAAJZVZHG-RDJZCZTQSA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124421 499866795 /nfs/dbraw/zinc/86/67/95/499866795.db2.gz KFAWNPSAMNHPFG-QZTJIDSGSA-N 1 3 372.431 3.346 20 0 FGADHO CCCOc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130282 499867804 /nfs/dbraw/zinc/86/78/04/499867804.db2.gz WSJVIPKRMISRAC-QUCCMNQESA-N 1 3 362.514 3.202 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415881983 499924009 /nfs/dbraw/zinc/92/40/09/499924009.db2.gz JSSYPEOPJOCIRY-NRFANRHFSA-N 1 3 366.509 3.319 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415898082 499925582 /nfs/dbraw/zinc/92/55/82/499925582.db2.gz GXGWXRJCRPGCGG-VQIMIIECSA-N 1 3 352.482 3.363 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000415922337 499928692 /nfs/dbraw/zinc/92/86/92/499928692.db2.gz SHPSVKBQFFUTDF-DYESRHJHSA-N 1 3 366.509 3.438 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954626 499933161 /nfs/dbraw/zinc/93/31/61/499933161.db2.gz KXIYHIVVAAULAA-CXAGYDPISA-N 1 3 374.460 3.315 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092799 499950922 /nfs/dbraw/zinc/95/09/22/499950922.db2.gz ODLYNVIDDWUMNW-HXUWFJFHSA-N 1 3 358.530 3.273 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000413440275 499958159 /nfs/dbraw/zinc/95/81/59/499958159.db2.gz BOIAUDDCYCDCSS-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417400217 500061327 /nfs/dbraw/zinc/06/13/27/500061327.db2.gz XWYWPXRGLCRYKU-OAQYLSRUSA-N 1 3 368.525 3.403 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)c(F)cc3F)CC2)CC1 ZINC000573336200 506174314 /nfs/dbraw/zinc/17/43/14/506174314.db2.gz IXZXODBLRUYDRN-UHFFFAOYSA-N 1 3 369.431 3.239 20 0 FGADHO CC[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000413858064 500078397 /nfs/dbraw/zinc/07/83/97/500078397.db2.gz LXWAECBHNBRJFZ-LEWJYISDSA-N 1 3 371.569 3.476 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000573346459 506176833 /nfs/dbraw/zinc/17/68/33/506176833.db2.gz YHPYQDVEDQBOHC-NRFANRHFSA-N 1 3 372.557 3.200 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000416850282 500137692 /nfs/dbraw/zinc/13/76/92/500137692.db2.gz ZMCXLJRIGRBUCV-NRFANRHFSA-N 1 3 368.525 3.022 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417677529 500147037 /nfs/dbraw/zinc/14/70/37/500147037.db2.gz FWNLKHMSVIDESD-PKOBYXMFSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417677526 500147076 /nfs/dbraw/zinc/14/70/76/500147076.db2.gz FWNLKHMSVIDESD-HKUYNNGSSA-N 1 3 358.530 3.043 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000416982978 500174607 /nfs/dbraw/zinc/17/46/07/500174607.db2.gz WTLYXSNBSAWSCV-WGSAOQKQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000417835740 500181004 /nfs/dbraw/zinc/18/10/04/500181004.db2.gz LDHMYGSWROQHAY-UIFIKXQLSA-N 1 3 372.557 3.246 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837482 500181239 /nfs/dbraw/zinc/18/12/39/500181239.db2.gz MKWAUYMQIVSMSR-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872090 500187955 /nfs/dbraw/zinc/18/79/55/500187955.db2.gz IIEAVLCFRRRVPY-UWJYYQICSA-N 1 3 368.525 3.117 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872090 500187958 /nfs/dbraw/zinc/18/79/58/500187958.db2.gz IIEAVLCFRRRVPY-UWJYYQICSA-N 1 3 368.525 3.117 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430116904 500195330 /nfs/dbraw/zinc/19/53/30/500195330.db2.gz DMWBGQYKLSZTSM-QFIPXVFZSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430116904 500195333 /nfs/dbraw/zinc/19/53/33/500195333.db2.gz DMWBGQYKLSZTSM-QFIPXVFZSA-N 1 3 371.569 3.467 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417942092 500201857 /nfs/dbraw/zinc/20/18/57/500201857.db2.gz SJKPJKHTAKPFJJ-LFNLJPBCSA-N 1 3 368.525 3.259 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000579470269 506182485 /nfs/dbraw/zinc/18/24/85/506182485.db2.gz CFJLPSMUIMLTTP-UTKZUKDTSA-N 1 3 366.509 3.203 20 0 FGADHO OC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000418094998 500228455 /nfs/dbraw/zinc/22/84/55/500228455.db2.gz IRHHOTYYPZHJAA-YADHBBJMSA-N 1 3 350.506 3.407 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418156837 500238957 /nfs/dbraw/zinc/23/89/57/500238957.db2.gz NPJYOHPLXKPHEN-DFQSSKMNSA-N 1 3 372.557 3.056 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000418175059 500242699 /nfs/dbraw/zinc/24/26/99/500242699.db2.gz FUIAEEXEAFTWCF-JPLJXNOCSA-N 1 3 360.546 3.051 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185661 500244817 /nfs/dbraw/zinc/24/48/17/500244817.db2.gz RBHCLVAFZWSMTL-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322788 500261815 /nfs/dbraw/zinc/26/18/15/500261815.db2.gz FAWCVCAWHCRLAE-OXQOHEQNSA-N 1 3 360.546 3.182 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418347588 500266072 /nfs/dbraw/zinc/26/60/72/500266072.db2.gz IOCVLFDHMLUDAX-NHCUHLMSSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000418363383 500268565 /nfs/dbraw/zinc/26/85/65/500268565.db2.gz VRBICVMYJLCZDV-NSISKUIASA-N 1 3 358.530 3.078 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418405594 500272313 /nfs/dbraw/zinc/27/23/13/500272313.db2.gz BJJBEHLWGJLMKJ-NRFANRHFSA-N 1 3 368.525 3.240 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418423186 500274442 /nfs/dbraw/zinc/27/44/42/500274442.db2.gz FLDVIIAMRJARTF-FQEVSTJZSA-N 1 3 360.546 3.230 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000418455945 500278757 /nfs/dbraw/zinc/27/87/57/500278757.db2.gz FBLQVSXZIDHHJR-QGZVFWFLSA-N 1 3 358.530 3.114 20 0 FGADHO c1ccc(CSCC[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000430767193 500282389 /nfs/dbraw/zinc/28/23/89/500282389.db2.gz XEHMWJIRYIDQIS-UHFFFAOYSA-N 1 3 370.566 3.117 20 0 FGADHO CN(CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716663 500289079 /nfs/dbraw/zinc/28/90/79/500289079.db2.gz NPUSQOATNXISPD-KNQAVFIVSA-N 1 3 369.484 3.498 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738276 500292643 /nfs/dbraw/zinc/29/26/43/500292643.db2.gz YJOSGTIIHFVKGL-FHLIZLRMSA-N 1 3 355.448 3.257 20 0 FGADHO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCCC1 ZINC000422742410 500292974 /nfs/dbraw/zinc/29/29/74/500292974.db2.gz GHJOLKHOTOHPKG-HRAATJIYSA-N 1 3 368.525 3.345 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OCC(C)C)CC[NH2+]CC1 ZINC000422746111 500293840 /nfs/dbraw/zinc/29/38/40/500293840.db2.gz YWQIGBCXBKHYEM-QGZVFWFLSA-N 1 3 362.514 3.132 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590904 500294344 /nfs/dbraw/zinc/29/43/44/500294344.db2.gz UGLYKWSCXFRQRQ-MJGOQNOKSA-N 1 3 370.541 3.086 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590904 500294346 /nfs/dbraw/zinc/29/43/46/500294346.db2.gz UGLYKWSCXFRQRQ-MJGOQNOKSA-N 1 3 370.541 3.086 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772541 500296044 /nfs/dbraw/zinc/29/60/44/500296044.db2.gz YWVGWFRJIZTOLH-MBOZVWFJSA-N 1 3 357.523 3.196 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790704 500298295 /nfs/dbraw/zinc/29/82/95/500298295.db2.gz PQSHXWIZJLASIT-VMRPVKRXSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790694 500298441 /nfs/dbraw/zinc/29/84/41/500298441.db2.gz PQSHXWIZJLASIT-JJXUHFIVSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422797246 500298997 /nfs/dbraw/zinc/29/89/97/500298997.db2.gz LRMNXLHUQGUPOQ-DKICVRJWSA-N 1 3 364.892 3.178 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798929 500299296 /nfs/dbraw/zinc/29/92/96/500299296.db2.gz UHGHQJREQTUIID-OCCSQVGLSA-N 1 3 365.880 3.143 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809218 500300359 /nfs/dbraw/zinc/30/03/59/500300359.db2.gz RKBFLRSUIUNQIZ-GGPKGHCWSA-N 1 3 357.523 3.196 20 0 FGADHO c1ccc2c(c1)CCN2CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812335 500301122 /nfs/dbraw/zinc/30/11/22/500301122.db2.gz XLMLBYNMBVGGRT-REWPJTCUSA-N 1 3 363.505 3.285 20 0 FGADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000418652620 500301252 /nfs/dbraw/zinc/30/12/52/500301252.db2.gz MYLHCLPILLARQK-FQEVSTJZSA-N 1 3 372.513 3.005 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811108 500301293 /nfs/dbraw/zinc/30/12/93/500301293.db2.gz OKIPEBZQDUNAPE-BULFRSBZSA-N 1 3 365.521 3.091 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422844402 500305037 /nfs/dbraw/zinc/30/50/37/500305037.db2.gz LRNRAIHHESELQD-UXHICEINSA-N 1 3 366.553 3.224 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418669837 500305106 /nfs/dbraw/zinc/30/51/06/500305106.db2.gz JZQSUXFIOWNEPB-NRFANRHFSA-N 1 3 368.525 3.240 20 0 FGADHO COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422850815 500305312 /nfs/dbraw/zinc/30/53/12/500305312.db2.gz ODKAYPFCEKSDDG-WBVHZDCISA-N 1 3 354.498 3.034 20 0 FGADHO C[C@@H]1CN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932327 500309329 /nfs/dbraw/zinc/30/93/29/500309329.db2.gz DZMUFHBPDSURGG-SYNHAJSKSA-N 1 3 357.523 3.013 20 0 FGADHO COc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897134 500313157 /nfs/dbraw/zinc/31/31/57/500313157.db2.gz JCQLLYGVOQQLRM-PWRODBHTSA-N 1 3 358.526 3.254 20 0 FGADHO C[C@@H](NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903519 500313702 /nfs/dbraw/zinc/31/37/02/500313702.db2.gz WHPITGQNKUDPSX-RKVPGOIHSA-N 1 3 366.347 3.396 20 0 FGADHO Fc1ccc(CN2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422904633 500313870 /nfs/dbraw/zinc/31/38/70/500313870.db2.gz HEIJXQQTJDVGCC-KTGAGVNESA-N 1 3 351.897 3.316 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906881 500314502 /nfs/dbraw/zinc/31/45/02/500314502.db2.gz KNPXCJQJIDNTNC-DOTOQJQBSA-N 1 3 374.479 3.442 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)C2)c1 ZINC000422906238 500314696 /nfs/dbraw/zinc/31/46/96/500314696.db2.gz UTTXETXBJVOVIL-BRKWEVRTSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(-c2ccncc2)cs1 ZINC000422907980 500314744 /nfs/dbraw/zinc/31/47/44/500314744.db2.gz CNRDFWUFDBSMAM-QAPCUYQASA-N 1 3 352.507 3.296 20 0 FGADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422909151 500315342 /nfs/dbraw/zinc/31/53/42/500315342.db2.gz NLWWBBZDVITTBW-SNHGZMDHSA-N 1 3 363.496 3.440 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909007 500315700 /nfs/dbraw/zinc/31/57/00/500315700.db2.gz FBHIRDKDXHGHJX-CZUORRHYSA-N 1 3 366.502 3.274 20 0 FGADHO Cc1sc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930642 500318353 /nfs/dbraw/zinc/31/83/53/500318353.db2.gz VIMOCMRBROPXEL-IPMKNSEASA-N 1 3 371.550 3.408 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935171 500319924 /nfs/dbraw/zinc/31/99/24/500319924.db2.gz DEMQOCQNCKZYPE-WTOYTKOKSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(OCc2ccccc2)cc1 ZINC000422935171 500319926 /nfs/dbraw/zinc/31/99/26/500319926.db2.gz DEMQOCQNCKZYPE-WTOYTKOKSA-N 1 3 354.494 3.150 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768413 500320889 /nfs/dbraw/zinc/32/08/89/500320889.db2.gz MBHMTWDGFKYZRI-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO CSC1(CNCc2c(F)cccc2N2CCCC2)CC[NH+](C)CC1 ZINC000573409798 506189236 /nfs/dbraw/zinc/18/92/36/506189236.db2.gz RVPYVEIUFBSBKY-UHFFFAOYSA-N 1 3 351.535 3.343 20 0 FGADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948108 500322030 /nfs/dbraw/zinc/32/20/30/500322030.db2.gz ZSBAOIZRACZICI-NQSCKRDGSA-N 1 3 366.509 3.167 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951283 500322394 /nfs/dbraw/zinc/32/23/94/500322394.db2.gz XVYCWHARBYYVQZ-RLFYNMQTSA-N 1 3 366.347 3.383 20 0 FGADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418780671 500322580 /nfs/dbraw/zinc/32/25/80/500322580.db2.gz YOPKGHFXYGCZDJ-JBACZVJFSA-N 1 3 372.557 3.386 20 0 FGADHO [NH3+][C@@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977587 500326151 /nfs/dbraw/zinc/32/61/51/500326151.db2.gz FXKNAJNKKRRKOM-FGZHOGPDSA-N 1 3 351.494 3.448 20 0 FGADHO Fc1cc(Br)cc(OCCN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431036579 500326331 /nfs/dbraw/zinc/32/63/31/500326331.db2.gz JRDKSWBOCGMWPF-UHFFFAOYSA-N 1 3 357.267 3.043 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423028389 500332891 /nfs/dbraw/zinc/33/28/91/500332891.db2.gz GJFFUIHOTXMZGT-XJKSGUPXSA-N 1 3 355.320 3.368 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074612 500338624 /nfs/dbraw/zinc/33/86/24/500338624.db2.gz MIIHZXBHFSYYES-OXJNMPFZSA-N 1 3 370.566 3.117 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423074614 500338632 /nfs/dbraw/zinc/33/86/32/500338632.db2.gz MIIHZXBHFSYYES-UZLBHIALSA-N 1 3 370.566 3.117 20 0 FGADHO O[C@@H]1CCC[C@]1(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079394 500339056 /nfs/dbraw/zinc/33/90/56/500339056.db2.gz YFYGQZDNNVJACJ-ZSYZGHEHSA-N 1 3 360.517 3.410 20 0 FGADHO CCCN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104676 500343188 /nfs/dbraw/zinc/34/31/88/500343188.db2.gz MKHNCYONXXCRCG-WQANXHIZSA-N 1 3 353.938 3.065 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112956 500344139 /nfs/dbraw/zinc/34/41/39/500344139.db2.gz SYNSPIBYKWKORW-HRCADAONSA-N 1 3 363.468 3.220 20 0 FGADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423179507 500351919 /nfs/dbraw/zinc/35/19/19/500351919.db2.gz MIGANMLTPGRHLW-HNNXBMFYSA-N 1 3 363.452 3.387 20 0 FGADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302350 500362334 /nfs/dbraw/zinc/36/23/34/500362334.db2.gz HEGJZTCRCVIGDS-ZJUUUORDSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302350 500362337 /nfs/dbraw/zinc/36/23/37/500362337.db2.gz HEGJZTCRCVIGDS-ZJUUUORDSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314767 500363082 /nfs/dbraw/zinc/36/30/82/500363082.db2.gz HRRHUIKZNRWAQX-MGPUTAFESA-N 1 3 350.466 3.301 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)c1 ZINC000423340770 500365254 /nfs/dbraw/zinc/36/52/54/500365254.db2.gz TYAVICKJJGQCIE-IBGZPJMESA-N 1 3 355.482 3.292 20 0 FGADHO CSc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379200 500369163 /nfs/dbraw/zinc/36/91/63/500369163.db2.gz GKCCXMGJKHNYKB-XHDPSFHLSA-N 1 3 365.440 3.034 20 0 FGADHO FC(F)(F)[C@@H](CN[C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404280 500370895 /nfs/dbraw/zinc/37/08/95/500370895.db2.gz ZSGXYWUFXUOOIP-HZPDHXFCSA-N 1 3 361.839 3.217 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000431779983 500424012 /nfs/dbraw/zinc/42/40/12/500424012.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000431779983 500424016 /nfs/dbraw/zinc/42/40/16/500424016.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 1 3 363.571 3.341 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957653 500424249 /nfs/dbraw/zinc/42/42/49/500424249.db2.gz AULNIBMPEGENIA-TZIWHRDSSA-N 1 3 355.526 3.275 20 0 FGADHO Ic1ccccc1[C@@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420295728 500435919 /nfs/dbraw/zinc/43/59/19/500435919.db2.gz CNMXMLWSOYEVPM-BBRMVZONSA-N 1 3 370.278 3.428 20 0 FGADHO Ic1ccccc1[C@@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420295729 500436082 /nfs/dbraw/zinc/43/60/82/500436082.db2.gz CNMXMLWSOYEVPM-CJNGLKHVSA-N 1 3 370.278 3.428 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324627 500442022 /nfs/dbraw/zinc/44/20/22/500442022.db2.gz HLAUOAOGWDZMQS-XMTFNYHQSA-N 1 3 361.555 3.122 20 0 FGADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000427884784 500442598 /nfs/dbraw/zinc/44/25/98/500442598.db2.gz HEESBUKEVJTIPN-BQJUDKOJSA-N 1 3 350.510 3.088 20 0 FGADHO NC[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332147 500443012 /nfs/dbraw/zinc/44/30/12/500443012.db2.gz RJXRQYHJCRQUMC-LJQANCHMSA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332147 500443015 /nfs/dbraw/zinc/44/30/15/500443015.db2.gz RJXRQYHJCRQUMC-LJQANCHMSA-N 1 3 354.494 3.296 20 0 FGADHO [NH3+]C[C@@H]1CN(CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332147 500443017 /nfs/dbraw/zinc/44/30/17/500443017.db2.gz RJXRQYHJCRQUMC-LJQANCHMSA-N 1 3 354.494 3.296 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000424443373 500506729 /nfs/dbraw/zinc/50/67/29/500506729.db2.gz JYWGPSBSSAZFEO-VQIMIIECSA-N 1 3 352.482 3.411 20 0 FGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425107 500514458 /nfs/dbraw/zinc/51/44/58/500514458.db2.gz LBGFXSFZKZABIV-WMZOPIPTSA-N 1 3 350.503 3.245 20 0 FGADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425107 500514462 /nfs/dbraw/zinc/51/44/62/500514462.db2.gz LBGFXSFZKZABIV-WMZOPIPTSA-N 1 3 350.503 3.245 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3OC(F)F)CC2)CC1 ZINC000420983720 500547515 /nfs/dbraw/zinc/54/75/15/500547515.db2.gz RJXJUDHZGYQLLG-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(C[NH+](C)C)c3)cccc21 ZINC000447724903 500654143 /nfs/dbraw/zinc/65/41/43/500654143.db2.gz ZDLLPQIVNVUSRT-IBGZPJMESA-N 1 3 353.466 3.386 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068986 500674378 /nfs/dbraw/zinc/67/43/78/500674378.db2.gz JCZYCQUZCPRHJL-BZSNNMDCSA-N 1 3 353.510 3.466 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437657920 500677089 /nfs/dbraw/zinc/67/70/89/500677089.db2.gz DKHBYYAQMPJOHV-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437657920 500677091 /nfs/dbraw/zinc/67/70/91/500677091.db2.gz DKHBYYAQMPJOHV-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437657919 500677292 /nfs/dbraw/zinc/67/72/92/500677292.db2.gz DKHBYYAQMPJOHV-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437657919 500677295 /nfs/dbraw/zinc/67/72/95/500677295.db2.gz DKHBYYAQMPJOHV-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447966826 500697901 /nfs/dbraw/zinc/69/79/01/500697901.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 1 3 374.573 3.446 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447966826 500697905 /nfs/dbraw/zinc/69/79/05/500697905.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 1 3 374.573 3.446 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000443640860 500748649 /nfs/dbraw/zinc/74/86/49/500748649.db2.gz OHDRRFHITRLLJQ-QFIPXVFZSA-N 1 3 371.569 3.464 20 0 FGADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000570718186 506215118 /nfs/dbraw/zinc/21/51/18/506215118.db2.gz RYXDTBBGYXXCNK-OAQYLSRUSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000434348021 500829464 /nfs/dbraw/zinc/82/94/64/500829464.db2.gz CXVJSNWVLCKYJQ-YLJYHZDGSA-N 1 3 372.557 3.432 20 0 FGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000434778061 500893164 /nfs/dbraw/zinc/89/31/64/500893164.db2.gz ROAKLBBIRYSIRX-YLJYHZDGSA-N 1 3 357.542 3.427 20 0 FGADHO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037125 500907350 /nfs/dbraw/zinc/90/73/50/500907350.db2.gz MJRBWXMGNKYERY-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000449105570 500926687 /nfs/dbraw/zinc/92/66/87/500926687.db2.gz YYLQRKFFITZWPL-CALCHBBNSA-N 1 3 374.504 3.205 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203609 500947060 /nfs/dbraw/zinc/94/70/60/500947060.db2.gz HMENSNWPWXEHGO-ROUUACIJSA-N 1 3 366.571 3.151 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203609 500947062 /nfs/dbraw/zinc/94/70/62/500947062.db2.gz HMENSNWPWXEHGO-ROUUACIJSA-N 1 3 366.571 3.151 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000449237873 500954701 /nfs/dbraw/zinc/95/47/01/500954701.db2.gz PFBKUQBUSWSBMC-IITNATTFSA-N 1 3 372.553 3.398 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4C[C@@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375410 500962090 /nfs/dbraw/zinc/96/20/90/500962090.db2.gz UXIRBTGNXWXYOW-PKOBYXMFSA-N 1 3 364.493 3.391 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379598 500963953 /nfs/dbraw/zinc/96/39/53/500963953.db2.gz JUNDVIRGXCUBEE-ZCNNSNEGSA-N 1 3 367.493 3.228 20 0 FGADHO CCN(CC)Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449326877 500978981 /nfs/dbraw/zinc/97/89/81/500978981.db2.gz ZYKPSQBSHSDNMB-JOCHJYFZSA-N 1 3 351.494 3.398 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449364940 500987634 /nfs/dbraw/zinc/98/76/34/500987634.db2.gz UKZNWJHZADQPKM-ZPMCFJSWSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364940 500987636 /nfs/dbraw/zinc/98/76/36/500987636.db2.gz UKZNWJHZADQPKM-ZPMCFJSWSA-N 1 3 356.485 3.372 20 0 FGADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H](CO)c1ccccc1 ZINC000449456874 501007240 /nfs/dbraw/zinc/00/72/40/501007240.db2.gz TVQAGRPACRCMMT-QHCPKHFHSA-N 1 3 367.537 3.382 20 0 FGADHO CC(=O)Nc1ccc(CN2CCC([NH2+]C3CCN(C(C)C)CC3)CC2)cc1 ZINC000449525728 501025810 /nfs/dbraw/zinc/02/58/10/501025810.db2.gz UFEIUEZUVIGTLN-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO COC(=O)CC1(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000440789211 501048577 /nfs/dbraw/zinc/04/85/77/501048577.db2.gz YNQIETFLWRTUAO-UHFFFAOYSA-N 1 3 356.510 3.318 20 0 FGADHO COC(=O)CC1(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000440789211 501048579 /nfs/dbraw/zinc/04/85/79/501048579.db2.gz YNQIETFLWRTUAO-UHFFFAOYSA-N 1 3 356.510 3.318 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436235519 501093293 /nfs/dbraw/zinc/09/32/93/501093293.db2.gz ZSCLXKXJBAYDQG-UHFFFAOYSA-N 1 3 370.522 3.411 20 0 FGADHO Fc1cccc2[nH]c(C[NH2+]CCCN3CCN(c4ccncc4)CC3)cc21 ZINC000436273477 501099392 /nfs/dbraw/zinc/09/93/92/501099392.db2.gz JIOUPYFGWBPEOJ-UHFFFAOYSA-N 1 3 367.472 3.004 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000436304169 501104879 /nfs/dbraw/zinc/10/48/79/501104879.db2.gz CZHTVIMZROYFNT-XDWAVFMPSA-N 1 3 356.510 3.218 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CN1C1CC1 ZINC000441287927 501114408 /nfs/dbraw/zinc/11/44/08/501114408.db2.gz RYQJEZQMTFEEND-ROUUACIJSA-N 1 3 362.562 3.100 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000607721816 506237478 /nfs/dbraw/zinc/23/74/78/506237478.db2.gz VDAPBCUJGQUSAS-SJORKVTESA-N 1 3 362.518 3.011 20 0 FGADHO Cc1ccc([C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818264 501168193 /nfs/dbraw/zinc/16/81/93/501168193.db2.gz MURFKZOSXBINEK-LEWJYISDSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccc([C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818264 501168196 /nfs/dbraw/zinc/16/81/96/501168196.db2.gz MURFKZOSXBINEK-LEWJYISDSA-N 1 3 357.542 3.403 20 0 FGADHO COc1cc(CNCC2CC[NH+](C3CC3)CC2)c(SC)cc1OC ZINC000446882649 501176889 /nfs/dbraw/zinc/17/68/89/501176889.db2.gz GKDPIMSPKQATRG-UHFFFAOYSA-N 1 3 350.528 3.390 20 0 FGADHO COc1ccc(Br)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446885610 501177580 /nfs/dbraw/zinc/17/75/80/501177580.db2.gz YDUYBTFJLXYYSB-UHFFFAOYSA-N 1 3 353.304 3.422 20 0 FGADHO CCc1cc(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc[nH+]1 ZINC000450786448 501208763 /nfs/dbraw/zinc/20/87/63/501208763.db2.gz PZNBFSBHBXDSKS-UHFFFAOYSA-N 1 3 352.482 3.101 20 0 FGADHO CN(Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000451254710 501255153 /nfs/dbraw/zinc/25/51/53/501255153.db2.gz PHLSGQUDRAWQPM-UHFFFAOYSA-N 1 3 370.965 3.241 20 0 FGADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000451254710 501255154 /nfs/dbraw/zinc/25/51/54/501255154.db2.gz PHLSGQUDRAWQPM-UHFFFAOYSA-N 1 3 370.965 3.241 20 0 FGADHO CCn1ccnc1[C@@H](C)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000453069015 501262029 /nfs/dbraw/zinc/26/20/29/501262029.db2.gz KIOGWHQIOREFOT-HXUWFJFHSA-N 1 3 369.557 3.464 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453234861 501295520 /nfs/dbraw/zinc/29/55/20/501295520.db2.gz XECXJBMXLVESJT-FCEUIQTBSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453234861 501295523 /nfs/dbraw/zinc/29/55/23/501295523.db2.gz XECXJBMXLVESJT-FCEUIQTBSA-N 1 3 350.510 3.360 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453252478 501300118 /nfs/dbraw/zinc/30/01/18/501300118.db2.gz IRYKKNCAFYGAML-LPHOPBHVSA-N 1 3 367.559 3.219 20 0 FGADHO C[N@H+](CCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CC1 ZINC000453590080 501355826 /nfs/dbraw/zinc/35/58/26/501355826.db2.gz AHJVKUJOZNKBJC-UHFFFAOYSA-N 1 3 351.857 3.024 20 0 FGADHO C[N@@H+](CCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CC1 ZINC000453590080 501355829 /nfs/dbraw/zinc/35/58/29/501355829.db2.gz AHJVKUJOZNKBJC-UHFFFAOYSA-N 1 3 351.857 3.024 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455863799 501402336 /nfs/dbraw/zinc/40/23/36/501402336.db2.gz SIJIVVSVHNHVOQ-MOPGFXCFSA-N 1 3 358.530 3.477 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456177179 501469940 /nfs/dbraw/zinc/46/99/40/501469940.db2.gz XBQULXKFEKKRQP-ZIAGYGMSSA-N 1 3 365.484 3.132 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000454195302 501480221 /nfs/dbraw/zinc/48/02/21/501480221.db2.gz PWQODJWAJLXQEC-NRFANRHFSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459267039 501621975 /nfs/dbraw/zinc/62/19/75/501621975.db2.gz QKPLCUPGLCYUSM-SFHVURJKSA-N 1 3 360.546 3.012 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459267039 501621976 /nfs/dbraw/zinc/62/19/76/501621976.db2.gz QKPLCUPGLCYUSM-SFHVURJKSA-N 1 3 360.546 3.012 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000454828291 501638810 /nfs/dbraw/zinc/63/88/10/501638810.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000454828291 501638811 /nfs/dbraw/zinc/63/88/11/501638811.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H](NC1(C[NH2+]C2CCN(C3CC3)CC2)CCOCC1)c1ccccc1 ZINC000459445625 501654911 /nfs/dbraw/zinc/65/49/11/501654911.db2.gz NDTXTFWWEDFQJY-GOSISDBHSA-N 1 3 357.542 3.103 20 0 FGADHO O=C(C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)N1CCC1 ZINC000459540457 501672846 /nfs/dbraw/zinc/67/28/46/501672846.db2.gz YLCRPFQYZAPABK-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO O=C(C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)N1CCC1 ZINC000459540457 501672847 /nfs/dbraw/zinc/67/28/47/501672847.db2.gz YLCRPFQYZAPABK-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457483648 501707803 /nfs/dbraw/zinc/70/78/03/501707803.db2.gz GCCSWTSRMPZEEE-INIZCTEOSA-N 1 3 366.575 3.305 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457538930 501718681 /nfs/dbraw/zinc/71/86/81/501718681.db2.gz XZYUEBWGOFMXJH-FQEVSTJZSA-N 1 3 360.546 3.153 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000477609631 501736903 /nfs/dbraw/zinc/73/69/03/501736903.db2.gz WKAPXJWGDYQRON-KRWDZBQOSA-N 1 3 360.546 3.322 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835171 /nfs/dbraw/zinc/83/51/71/501835171.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835176 /nfs/dbraw/zinc/83/51/76/501835176.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 1 3 374.573 3.459 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477967085 501842634 /nfs/dbraw/zinc/84/26/34/501842634.db2.gz AEQMUMAVARXGMW-UHFFFAOYSA-N 1 3 355.482 3.100 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775606 501869590 /nfs/dbraw/zinc/86/95/90/501869590.db2.gz RMWCYVPLQPHQNV-QAPCUYQASA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000467866044 501894369 /nfs/dbraw/zinc/89/43/69/501894369.db2.gz SGMGYZBRFKJTLZ-SFHVURJKSA-N 1 3 351.922 3.323 20 0 FGADHO CC(C)(CNC(=O)N1CCCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000478412507 501974153 /nfs/dbraw/zinc/97/41/53/501974153.db2.gz CWGFZUFEWVJJAQ-UHFFFAOYSA-N 1 3 372.557 3.026 20 0 FGADHO c1ccc(C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000482107215 501977361 /nfs/dbraw/zinc/97/73/61/501977361.db2.gz DGEUYUGPNVUOAQ-HSZRJFAPSA-N 1 3 364.537 3.205 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000482169290 501996941 /nfs/dbraw/zinc/99/69/41/501996941.db2.gz ZSYZLSJMOABFKS-KDURUIRLSA-N 1 3 372.553 3.375 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000471372732 502002440 /nfs/dbraw/zinc/00/24/40/502002440.db2.gz HZUZPHOJQQLEFF-FPOVZHCZSA-N 1 3 372.557 3.339 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000482249861 502020161 /nfs/dbraw/zinc/02/01/61/502020161.db2.gz WKSHYCUHLFHDJL-UHFFFAOYSA-N 1 3 354.494 3.284 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCCCC1 ZINC000461445749 502116970 /nfs/dbraw/zinc/11/69/70/502116970.db2.gz FQHPGMZJXSCTET-FCEUIQTBSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCCCC1 ZINC000461445749 502116976 /nfs/dbraw/zinc/11/69/76/502116976.db2.gz FQHPGMZJXSCTET-FCEUIQTBSA-N 1 3 369.553 3.231 20 0 FGADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000461467832 502125699 /nfs/dbraw/zinc/12/56/99/502125699.db2.gz VQXLFNHWTVYABB-IFMALSPDSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000461467832 502125703 /nfs/dbraw/zinc/12/57/03/502125703.db2.gz VQXLFNHWTVYABB-IFMALSPDSA-N 1 3 369.553 3.279 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000461790083 502202204 /nfs/dbraw/zinc/20/22/04/502202204.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000461790083 502202206 /nfs/dbraw/zinc/20/22/06/502202206.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546693 502209711 /nfs/dbraw/zinc/20/97/11/502209711.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546693 502209716 /nfs/dbraw/zinc/20/97/16/502209716.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 1 3 369.553 3.374 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472110105 502235452 /nfs/dbraw/zinc/23/54/52/502235452.db2.gz HMEBYFWBMLPWCT-CTNGQTDRSA-N 1 3 372.557 3.339 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482982203 502236375 /nfs/dbraw/zinc/23/63/75/502236375.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482982203 502236380 /nfs/dbraw/zinc/23/63/80/502236380.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 1 3 355.526 3.032 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000465431615 502259007 /nfs/dbraw/zinc/25/90/07/502259007.db2.gz KKWJZMHEXUYPIZ-RTWAWAEBSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000465431615 502259012 /nfs/dbraw/zinc/25/90/12/502259012.db2.gz KKWJZMHEXUYPIZ-RTWAWAEBSA-N 1 3 374.573 3.368 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303809 /nfs/dbraw/zinc/30/38/09/506303809.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303814 /nfs/dbraw/zinc/30/38/14/506303814.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 1 3 369.553 3.087 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)CC2(C)C)CC1 ZINC000472279930 502296992 /nfs/dbraw/zinc/29/69/92/502296992.db2.gz QUJHIUNGTSCYOX-QGZVFWFLSA-N 1 3 357.542 3.196 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176028 502303171 /nfs/dbraw/zinc/30/31/71/502303171.db2.gz JKXGSEYVWPLUHJ-RXVVDRJESA-N 1 3 374.573 3.085 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000465555468 502306945 /nfs/dbraw/zinc/30/69/45/502306945.db2.gz XKTCWXXKYBJZBL-GHTZIAJQSA-N 1 3 372.557 3.200 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000469138067 502312196 /nfs/dbraw/zinc/31/21/96/502312196.db2.gz QHTQZIPLPHBVBM-FPOVZHCZSA-N 1 3 372.557 3.159 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000469138067 502312198 /nfs/dbraw/zinc/31/21/98/502312198.db2.gz QHTQZIPLPHBVBM-FPOVZHCZSA-N 1 3 372.557 3.159 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465669270 502341922 /nfs/dbraw/zinc/34/19/22/502341922.db2.gz WJUSKEUDBXWUAU-QRVBRYPASA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465669270 502341926 /nfs/dbraw/zinc/34/19/26/502341926.db2.gz WJUSKEUDBXWUAU-QRVBRYPASA-N 1 3 352.567 3.013 20 0 FGADHO CCN(C)c1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cn1 ZINC000483311924 502346768 /nfs/dbraw/zinc/34/67/68/502346768.db2.gz QWBACPVRQHPDGN-UHFFFAOYSA-N 1 3 353.514 3.281 20 0 FGADHO CCN(C)c1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cn1 ZINC000483311924 502346775 /nfs/dbraw/zinc/34/67/75/502346775.db2.gz QWBACPVRQHPDGN-UHFFFAOYSA-N 1 3 353.514 3.281 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479702684 502349599 /nfs/dbraw/zinc/34/95/99/502349599.db2.gz FSAFVJRRJUCFMP-PMACEKPBSA-N 1 3 366.594 3.262 20 0 FGADHO CO[C@H](CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000469321220 502374965 /nfs/dbraw/zinc/37/49/65/502374965.db2.gz HDHZWBJAEWDUNE-WNRNVDISSA-N 1 3 356.432 3.454 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326867 502375871 /nfs/dbraw/zinc/37/58/71/502375871.db2.gz ZHJDCQIUYJCQJK-MSOLQXFVSA-N 1 3 361.530 3.043 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326892 502376602 /nfs/dbraw/zinc/37/66/02/502376602.db2.gz ZHJDCQIUYJCQJK-QZTJIDSGSA-N 1 3 361.530 3.043 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000465769582 502378603 /nfs/dbraw/zinc/37/86/03/502378603.db2.gz HNXCNSCAESQKIH-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581820 502390862 /nfs/dbraw/zinc/39/08/62/502390862.db2.gz PYTFCCYRCAONGT-LEWJYISDSA-N 1 3 365.606 3.462 20 0 FGADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581820 502390865 /nfs/dbraw/zinc/39/08/65/502390865.db2.gz PYTFCCYRCAONGT-LEWJYISDSA-N 1 3 365.606 3.462 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000479835501 502392500 /nfs/dbraw/zinc/39/25/00/502392500.db2.gz BBCXIEXMQNNEQP-MOPGFXCFSA-N 1 3 373.541 3.258 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000465817613 502393753 /nfs/dbraw/zinc/39/37/53/502393753.db2.gz SZKRXQWEBLCJSP-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465886183 502416214 /nfs/dbraw/zinc/41/62/14/502416214.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465886183 502416217 /nfs/dbraw/zinc/41/62/17/502416217.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910795 502424550 /nfs/dbraw/zinc/42/45/50/502424550.db2.gz ONOLGRUPURGMMJ-AZUAARDMSA-N 1 3 372.557 3.434 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000483546227 502427469 /nfs/dbraw/zinc/42/74/69/502427469.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 1 3 355.526 3.227 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000483546227 502427475 /nfs/dbraw/zinc/42/74/75/502427475.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 1 3 355.526 3.227 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000483628927 502447383 /nfs/dbraw/zinc/44/73/83/502447383.db2.gz RYINXQQEIJFZGO-UWVAXJGDSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000483628927 502447389 /nfs/dbraw/zinc/44/73/89/502447389.db2.gz RYINXQQEIJFZGO-UWVAXJGDSA-N 1 3 352.494 3.320 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029898 502451099 /nfs/dbraw/zinc/45/10/99/502451099.db2.gz GPHQVLIXAJLVKS-AWEZNQCLSA-N 1 3 357.951 3.198 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000483646085 502451776 /nfs/dbraw/zinc/45/17/76/502451776.db2.gz RYPCTYNYKJFVKG-HXUWFJFHSA-N 1 3 372.557 3.168 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019031 502455823 /nfs/dbraw/zinc/45/58/23/502455823.db2.gz GONPCYCOVHWVDU-PMACEKPBSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019031 502455829 /nfs/dbraw/zinc/45/58/29/502455829.db2.gz GONPCYCOVHWVDU-PMACEKPBSA-N 1 3 374.573 3.422 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483676509 502460160 /nfs/dbraw/zinc/46/01/60/502460160.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483676509 502460165 /nfs/dbraw/zinc/46/01/65/502460165.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466033978 502461262 /nfs/dbraw/zinc/46/12/62/502461262.db2.gz DPMZHCZMIKTJNN-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)Nc1cccnc1 ZINC000483721885 502474249 /nfs/dbraw/zinc/47/42/49/502474249.db2.gz GXTZOOUAHKMAFD-QZTJIDSGSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858948 502549433 /nfs/dbraw/zinc/54/94/33/502549433.db2.gz NDEYCPQZJVTESS-BJLQDIEVSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858948 502549439 /nfs/dbraw/zinc/54/94/39/502549439.db2.gz NDEYCPQZJVTESS-BJLQDIEVSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277995 502556806 /nfs/dbraw/zinc/55/68/06/502556806.db2.gz CWGXCKUSMVCSPN-AISZHWQLSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277995 502556810 /nfs/dbraw/zinc/55/68/10/502556810.db2.gz CWGXCKUSMVCSPN-AISZHWQLSA-N 1 3 357.542 3.132 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000476762188 502580741 /nfs/dbraw/zinc/58/07/41/502580741.db2.gz MURFWNCJQFCKCA-INMHGKMJSA-N 1 3 351.560 3.414 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462888607 502615291 /nfs/dbraw/zinc/61/52/91/502615291.db2.gz OVPIMXYMVLMAGD-SFHVURJKSA-N 1 3 365.477 3.019 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462888607 502615295 /nfs/dbraw/zinc/61/52/95/502615295.db2.gz OVPIMXYMVLMAGD-SFHVURJKSA-N 1 3 365.477 3.019 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000484345882 502629960 /nfs/dbraw/zinc/62/99/60/502629960.db2.gz WWHSUDCWHBARFR-VQIMIIECSA-N 1 3 360.546 3.240 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725583 502653985 /nfs/dbraw/zinc/65/39/85/502653985.db2.gz YPNZTPULAKUQPO-FPOVZHCZSA-N 1 3 357.542 3.369 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725583 502653992 /nfs/dbraw/zinc/65/39/92/502653992.db2.gz YPNZTPULAKUQPO-FPOVZHCZSA-N 1 3 357.542 3.369 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639087 502691653 /nfs/dbraw/zinc/69/16/53/502691653.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639087 502691660 /nfs/dbraw/zinc/69/16/60/502691660.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 1 3 370.541 3.089 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416307 502709145 /nfs/dbraw/zinc/70/91/45/502709145.db2.gz QKOYXIYKLNJIOH-SFTDATJTSA-N 1 3 361.599 3.444 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000488471224 502724257 /nfs/dbraw/zinc/72/42/57/502724257.db2.gz SRWJMIVCSOZEFM-HXUWFJFHSA-N 1 3 360.546 3.115 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499215 502733072 /nfs/dbraw/zinc/73/30/72/502733072.db2.gz NQPBZSHQGDKOOS-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499215 502733080 /nfs/dbraw/zinc/73/30/80/502733080.db2.gz NQPBZSHQGDKOOS-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N(C)Cc1ccccc1 ZINC000477396943 502763691 /nfs/dbraw/zinc/76/36/91/502763691.db2.gz WBMAOINNWDVLAA-SFHVURJKSA-N 1 3 360.546 3.119 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331711 502906605 /nfs/dbraw/zinc/90/66/05/502906605.db2.gz VEGGHOXNVQLKGA-FXAWDEMLSA-N 1 3 361.530 3.374 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000501024920 502914870 /nfs/dbraw/zinc/91/48/70/502914870.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000501024920 502914875 /nfs/dbraw/zinc/91/48/75/502914875.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066129 502926511 /nfs/dbraw/zinc/92/65/11/502926511.db2.gz CTPIUSXMLAMSBN-UYAOXDASSA-N 1 3 372.557 3.409 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568550 502936792 /nfs/dbraw/zinc/93/67/92/502936792.db2.gz MBHYJCNFFOQUQN-OKZBNKHCSA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568550 502936795 /nfs/dbraw/zinc/93/67/95/502936795.db2.gz MBHYJCNFFOQUQN-OKZBNKHCSA-N 1 3 364.534 3.225 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000509583403 502941231 /nfs/dbraw/zinc/94/12/31/502941231.db2.gz JXJJPLSSYNILBQ-SJLPKXTDSA-N 1 3 364.534 3.225 20 0 FGADHO CC(C)[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000501161558 502951940 /nfs/dbraw/zinc/95/19/40/502951940.db2.gz DUUKRPZMQBVXDI-NRFANRHFSA-N 1 3 374.573 3.304 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178284 502953713 /nfs/dbraw/zinc/95/37/13/502953713.db2.gz YGQPJXCQRUFMMD-KZNAEPCWSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178284 502953717 /nfs/dbraw/zinc/95/37/17/502953717.db2.gz YGQPJXCQRUFMMD-KZNAEPCWSA-N 1 3 364.559 3.057 20 0 FGADHO Cn1c2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2oc1=O ZINC000509684753 502967466 /nfs/dbraw/zinc/96/74/66/502967466.db2.gz ADJHRDSNQFARES-UHFFFAOYSA-N 1 3 351.450 3.017 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000489535967 502980855 /nfs/dbraw/zinc/98/08/55/502980855.db2.gz IHUJCSAPCDCFLV-MSOLQXFVSA-N 1 3 360.546 3.289 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613825 502998914 /nfs/dbraw/zinc/99/89/14/502998914.db2.gz TVZKXLMJAALQSQ-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCC[C@@H]1C ZINC000501490214 503019642 /nfs/dbraw/zinc/01/96/42/503019642.db2.gz JOAYXPKQEQRDAH-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497745109 503030273 /nfs/dbraw/zinc/03/02/73/503030273.db2.gz IDCCMZLTTXZVKN-SFHVURJKSA-N 1 3 367.603 3.119 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497745109 503030276 /nfs/dbraw/zinc/03/02/76/503030276.db2.gz IDCCMZLTTXZVKN-SFHVURJKSA-N 1 3 367.603 3.119 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861513 503051042 /nfs/dbraw/zinc/05/10/42/503051042.db2.gz OJZZYGKEWVDAKL-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO CCC1(CNC(=O)[C@@H](C(C)C)N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514054031 503075868 /nfs/dbraw/zinc/07/58/68/503075868.db2.gz GLVHFXRTLKMGSS-HXUWFJFHSA-N 1 3 359.558 3.381 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856511 503094857 /nfs/dbraw/zinc/09/48/57/503094857.db2.gz JPLVJOWZOGFTQB-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856511 503094862 /nfs/dbraw/zinc/09/48/62/503094862.db2.gz JPLVJOWZOGFTQB-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000501863441 503096339 /nfs/dbraw/zinc/09/63/39/503096339.db2.gz PPGSNPWODNXXJJ-FGTMMUONSA-N 1 3 358.530 3.018 20 0 FGADHO C[C@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000501863441 503096343 /nfs/dbraw/zinc/09/63/43/503096343.db2.gz PPGSNPWODNXXJJ-FGTMMUONSA-N 1 3 358.530 3.018 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCC)CCN2CCCCC2)CC1 ZINC000490172068 503122262 /nfs/dbraw/zinc/12/22/62/503122262.db2.gz KAXNWQONROINLR-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155375 /nfs/dbraw/zinc/15/53/75/503155375.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155377 /nfs/dbraw/zinc/15/53/77/503155377.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155870 /nfs/dbraw/zinc/15/58/70/503155870.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155871 /nfs/dbraw/zinc/15/58/71/503155871.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 1 3 374.573 3.459 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946054 503223013 /nfs/dbraw/zinc/22/30/13/503223013.db2.gz DWRZMHZORDALMY-QGZVFWFLSA-N 1 3 366.347 3.052 20 0 FGADHO C[NH+](C)CCC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000510986061 503230558 /nfs/dbraw/zinc/23/05/58/503230558.db2.gz MIQVHIMUNDESKS-UHFFFAOYSA-N 1 3 371.569 3.131 20 0 FGADHO CCC[NH+]1CCC(CNCc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490865895 503238725 /nfs/dbraw/zinc/23/87/25/503238725.db2.gz XFCRYNNVGLPCLB-UHFFFAOYSA-N 1 3 354.498 3.364 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)NCCN3CCCC[C@@H]3C)CC2)CC1 ZINC000502628024 503241527 /nfs/dbraw/zinc/24/15/27/503241527.db2.gz ODYVYTUBHBXXOU-HDYDNRTBSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000490987784 503256135 /nfs/dbraw/zinc/25/61/35/503256135.db2.gz MXZHDHGSDDAPQF-XLIONFOSSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000490987784 503256138 /nfs/dbraw/zinc/25/61/38/503256138.db2.gz MXZHDHGSDDAPQF-XLIONFOSSA-N 1 3 370.566 3.268 20 0 FGADHO Cc1ccc(C)c(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000491021619 503261648 /nfs/dbraw/zinc/26/16/48/503261648.db2.gz QHSNKGZXJKKFHN-LEWJYISDSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000491102002 503273169 /nfs/dbraw/zinc/27/31/69/503273169.db2.gz KJLCRLRGYKFCJZ-WFXMLNOXSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000491102002 503273174 /nfs/dbraw/zinc/27/31/74/503273174.db2.gz KJLCRLRGYKFCJZ-WFXMLNOXSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000502841592 503286318 /nfs/dbraw/zinc/28/63/18/503286318.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000502841592 503286322 /nfs/dbraw/zinc/28/63/22/503286322.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000502861704 503291738 /nfs/dbraw/zinc/29/17/38/503291738.db2.gz LHTZGGZSWOQVIH-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000502861704 503291740 /nfs/dbraw/zinc/29/17/40/503291740.db2.gz LHTZGGZSWOQVIH-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO c1cnn(Cc2ccccc2CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232749 503298490 /nfs/dbraw/zinc/29/84/90/503298490.db2.gz NJNCWRJQJCXYEE-GGAORHGYSA-N 1 3 374.488 3.277 20 0 FGADHO COCCC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000515353073 503322500 /nfs/dbraw/zinc/32/25/00/503322500.db2.gz ACWAOZIYSWXJPY-TZIWHRDSSA-N 1 3 360.542 3.320 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)NCCN2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441901 503323275 /nfs/dbraw/zinc/32/32/75/503323275.db2.gz VMAJHGOKSKTSDQ-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)NCCN2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441901 503323279 /nfs/dbraw/zinc/32/32/79/503323279.db2.gz VMAJHGOKSKTSDQ-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NCCN(C)C2CC2)CCCC1)c1ccccc1 ZINC000503021997 503327854 /nfs/dbraw/zinc/32/78/54/503327854.db2.gz DJBSRHCANFJXKL-KRWDZBQOSA-N 1 3 358.530 3.043 20 0 FGADHO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(C)CC[C@@H]2C)c2ccccc2)CC1 ZINC000503055758 503337759 /nfs/dbraw/zinc/33/77/59/503337759.db2.gz PIPAKZCBXKNJJH-FPOVZHCZSA-N 1 3 372.557 3.195 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)N(C)C ZINC000499200487 503353705 /nfs/dbraw/zinc/35/37/05/503353705.db2.gz BZGIWVHVSMOXHS-SBHAEUEKSA-N 1 3 374.573 3.263 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)N(C)C ZINC000499200487 503353706 /nfs/dbraw/zinc/35/37/06/503353706.db2.gz BZGIWVHVSMOXHS-SBHAEUEKSA-N 1 3 374.573 3.263 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520794 503424189 /nfs/dbraw/zinc/42/41/89/503424189.db2.gz MORFRHWDJDXOGR-OAQYLSRUSA-N 1 3 367.537 3.257 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520794 503424195 /nfs/dbraw/zinc/42/41/95/503424195.db2.gz MORFRHWDJDXOGR-OAQYLSRUSA-N 1 3 367.537 3.257 20 0 FGADHO C[C@H]1CCC[C@@](CNC(=O)NCc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000516155374 503457148 /nfs/dbraw/zinc/45/71/48/503457148.db2.gz VTXIFMKZCYBJCA-LAUBAEHRSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)NCc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000516155375 503457169 /nfs/dbraw/zinc/45/71/69/503457169.db2.gz VTXIFMKZCYBJCA-UTKZUKDTSA-N 1 3 360.546 3.058 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000516183726 503465561 /nfs/dbraw/zinc/46/55/61/503465561.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000516183726 503465563 /nfs/dbraw/zinc/46/55/63/503465563.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000503734187 503465857 /nfs/dbraw/zinc/46/58/57/503465857.db2.gz XHKMZDGWAZGXES-AZUAARDMSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)NCCCN1CCc2ccccc2C1)C(C)C ZINC000503964203 503500303 /nfs/dbraw/zinc/50/03/03/503500303.db2.gz UHSIZFWUMXQZPK-UHFFFAOYSA-N 1 3 374.573 3.195 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718613 503550383 /nfs/dbraw/zinc/55/03/83/503550383.db2.gz OAYQZDJIDHIINS-DUXKGJEZSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718613 503550385 /nfs/dbraw/zinc/55/03/85/503550385.db2.gz OAYQZDJIDHIINS-DUXKGJEZSA-N 1 3 366.505 3.499 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645594 503559033 /nfs/dbraw/zinc/55/90/33/503559033.db2.gz IIVMHFFSKRQYAM-CTNGQTDRSA-N 1 3 358.913 3.355 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645594 503559036 /nfs/dbraw/zinc/55/90/36/503559036.db2.gz IIVMHFFSKRQYAM-CTNGQTDRSA-N 1 3 358.913 3.355 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000494604672 503572943 /nfs/dbraw/zinc/57/29/43/503572943.db2.gz YPUWKAVCJAKJLF-NLWGTHIKSA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000494604672 503572946 /nfs/dbraw/zinc/57/29/46/503572946.db2.gz YPUWKAVCJAKJLF-NLWGTHIKSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC000508871244 503584010 /nfs/dbraw/zinc/58/40/10/503584010.db2.gz PFGCMYUDDDKKCS-GHTZIAJQSA-N 1 3 372.557 3.256 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653206 503603781 /nfs/dbraw/zinc/60/37/81/503603781.db2.gz DEORUCWNVZYMNV-IPMKNSEASA-N 1 3 369.475 3.371 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653206 503603785 /nfs/dbraw/zinc/60/37/85/503603785.db2.gz DEORUCWNVZYMNV-IPMKNSEASA-N 1 3 369.475 3.371 20 0 FGADHO CN(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653206 503603789 /nfs/dbraw/zinc/60/37/89/503603789.db2.gz DEORUCWNVZYMNV-IPMKNSEASA-N 1 3 369.475 3.371 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673588 503609248 /nfs/dbraw/zinc/60/92/48/503609248.db2.gz RHLUEXBYSPLZFO-SEONNTABSA-N 1 3 357.542 3.298 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025127 503646566 /nfs/dbraw/zinc/64/65/66/503646566.db2.gz JEYCXCIWIUASOJ-DENIHFKCSA-N 1 3 368.521 3.415 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517371922 503728473 /nfs/dbraw/zinc/72/84/73/503728473.db2.gz LNLIMHPXAYNTBW-HDMKZQKVSA-N 1 3 363.933 3.227 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181662 503752405 /nfs/dbraw/zinc/75/24/05/503752405.db2.gz NYCTUJOCKVUJCC-MJGOQNOKSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@H+]1C ZINC000533181662 503752412 /nfs/dbraw/zinc/75/24/12/503752412.db2.gz NYCTUJOCKVUJCC-MJGOQNOKSA-N 1 3 374.529 3.156 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795503 /nfs/dbraw/zinc/79/55/03/503795503.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795511 /nfs/dbraw/zinc/79/55/11/503795511.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000540504446 503795720 /nfs/dbraw/zinc/79/57/20/503795720.db2.gz FUYRPEAYDPEPRQ-DENIHFKCSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000540504446 503795724 /nfs/dbraw/zinc/79/57/24/503795724.db2.gz FUYRPEAYDPEPRQ-DENIHFKCSA-N 1 3 359.558 3.179 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537105318 503803900 /nfs/dbraw/zinc/80/39/00/503803900.db2.gz YQMZLTCRWYRZBK-GOSISDBHSA-N 1 3 351.922 3.169 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000517761979 503828986 /nfs/dbraw/zinc/82/89/86/503828986.db2.gz WUTSDSGEBZNDNO-SFHVURJKSA-N 1 3 373.520 3.078 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NCC3=CCN(C)CC3)c2)CC1 ZINC000537226143 503848483 /nfs/dbraw/zinc/84/84/83/503848483.db2.gz RCVZNXYGWXWGHB-UHFFFAOYSA-N 1 3 370.541 3.344 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000517924980 503868595 /nfs/dbraw/zinc/86/85/95/503868595.db2.gz CPDQGTFSJWLAAZ-FLQRSKGTSA-N 1 3 358.526 3.048 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000537311085 503876540 /nfs/dbraw/zinc/87/65/40/503876540.db2.gz JILBJCKPMRHRBZ-UHFFFAOYSA-N 1 3 362.905 3.055 20 0 FGADHO CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000527717212 503911657 /nfs/dbraw/zinc/91/16/57/503911657.db2.gz SQRGWDCFJQNYSZ-IFMALSPDSA-N 1 3 371.569 3.381 20 0 FGADHO CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000527717212 503911662 /nfs/dbraw/zinc/91/16/62/503911662.db2.gz SQRGWDCFJQNYSZ-IFMALSPDSA-N 1 3 371.569 3.381 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000543906442 503937690 /nfs/dbraw/zinc/93/76/90/503937690.db2.gz KIYHZYHAYMHPLE-UHFFFAOYSA-N 1 3 354.498 3.370 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000541120856 504015963 /nfs/dbraw/zinc/01/59/63/504015963.db2.gz RGNRQKPRRKDLMR-PKOBYXMFSA-N 1 3 352.567 3.013 20 0 FGADHO CCO[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607493 504025676 /nfs/dbraw/zinc/02/56/76/504025676.db2.gz CQEMYWWKZCFIBW-PMACEKPBSA-N 1 3 361.530 3.240 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144819 504026268 /nfs/dbraw/zinc/02/62/68/504026268.db2.gz ABVHLQFGULJBJM-INIZCTEOSA-N 1 3 374.447 3.250 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144819 504026273 /nfs/dbraw/zinc/02/62/73/504026273.db2.gz ABVHLQFGULJBJM-INIZCTEOSA-N 1 3 374.447 3.250 20 0 FGADHO COc1ccc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000527990217 504029027 /nfs/dbraw/zinc/02/90/27/504029027.db2.gz LKBHBSKARZEOHS-SFHVURJKSA-N 1 3 353.510 3.318 20 0 FGADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530641846 504036012 /nfs/dbraw/zinc/03/60/12/504036012.db2.gz VVPUDYXJIBYINF-ZDUSSCGKSA-N 1 3 360.329 3.049 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784205 504063109 /nfs/dbraw/zinc/06/31/09/504063109.db2.gz URRHRNFUGUJJTF-KNQAVFIVSA-N 1 3 372.553 3.320 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547387774 504087618 /nfs/dbraw/zinc/08/76/18/504087618.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000547387774 504087623 /nfs/dbraw/zinc/08/76/23/504087623.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 1 3 374.573 3.173 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000519026180 504121978 /nfs/dbraw/zinc/12/19/78/504121978.db2.gz FZKCUALMEMTLQZ-PGRDOPGGSA-N 1 3 350.510 3.432 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536716 504169725 /nfs/dbraw/zinc/16/97/25/504169725.db2.gz JJTIIAJFUZQRDC-WIYYLYMNSA-N 1 3 352.526 3.001 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000541572320 504183118 /nfs/dbraw/zinc/18/31/18/504183118.db2.gz FCCDTOSHVBNZHW-CQSZACIVSA-N 1 3 355.473 3.022 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356824 504201067 /nfs/dbraw/zinc/20/10/67/504201067.db2.gz XEBSXIABUMKZFM-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000519383443 504208412 /nfs/dbraw/zinc/20/84/12/504208412.db2.gz WOTBAVRTYARFPU-SFTDATJTSA-N 1 3 372.557 3.122 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000541661918 504214005 /nfs/dbraw/zinc/21/40/05/504214005.db2.gz BXCKDHREWYJSEL-UHFFFAOYSA-N 1 3 352.526 3.084 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221987 /nfs/dbraw/zinc/22/19/87/504221987.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221992 /nfs/dbraw/zinc/22/19/92/504221992.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461023 504233976 /nfs/dbraw/zinc/23/39/76/504233976.db2.gz ZOHZPMPQHBNOSX-GDBMZVCRSA-N 1 3 359.436 3.327 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000541786733 504255007 /nfs/dbraw/zinc/25/50/07/504255007.db2.gz DYHVOFHQLSPFCO-WIYYLYMNSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000528575776 504278917 /nfs/dbraw/zinc/27/89/17/504278917.db2.gz YRWSKOMHPCSOTI-UHFFFAOYSA-N 1 3 363.521 3.085 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000538732062 504348994 /nfs/dbraw/zinc/34/89/94/504348994.db2.gz IOYNXDHUWJIRKO-UHFFFAOYSA-N 1 3 369.509 3.203 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000538752153 504358017 /nfs/dbraw/zinc/35/80/17/504358017.db2.gz MDPJKDYVRKYVRH-FQEVSTJZSA-N 1 3 370.497 3.202 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000531609590 504362453 /nfs/dbraw/zinc/36/24/53/504362453.db2.gz UQRUPIKQDPPOIM-UHFFFAOYSA-N 1 3 362.905 3.055 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178249 504427742 /nfs/dbraw/zinc/42/77/42/504427742.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178249 504427746 /nfs/dbraw/zinc/42/77/46/504427746.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305711 504436885 /nfs/dbraw/zinc/43/68/85/504436885.db2.gz PHDRZGHYUZLFFJ-OAQYLSRUSA-N 1 3 368.525 3.181 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000520301694 504459370 /nfs/dbraw/zinc/45/93/70/504459370.db2.gz QURNICZUOXWTSS-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(OCCO)cc1 ZINC000539069945 504463285 /nfs/dbraw/zinc/46/32/85/504463285.db2.gz AXBIKQKOVWSFOG-GCJKJVERSA-N 1 3 354.494 3.058 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(OCCO)cc1 ZINC000539069945 504463289 /nfs/dbraw/zinc/46/32/89/504463289.db2.gz AXBIKQKOVWSFOG-GCJKJVERSA-N 1 3 354.494 3.058 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520378585 504483223 /nfs/dbraw/zinc/48/32/23/504483223.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520378585 504483228 /nfs/dbraw/zinc/48/32/28/504483228.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531983911 504494687 /nfs/dbraw/zinc/49/46/87/504494687.db2.gz MHFDNTVTDPZNJY-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531983911 504494689 /nfs/dbraw/zinc/49/46/89/504494689.db2.gz MHFDNTVTDPZNJY-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200340 504496584 /nfs/dbraw/zinc/49/65/84/504496584.db2.gz FQHGIUBUGQGDIK-QUCCMNQESA-N 1 3 361.505 3.234 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200340 504496588 /nfs/dbraw/zinc/49/65/88/504496588.db2.gz FQHGIUBUGQGDIK-QUCCMNQESA-N 1 3 361.505 3.234 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000520580823 504533874 /nfs/dbraw/zinc/53/38/74/504533874.db2.gz OZSMGOJFSXZXOY-PZJWPPBQSA-N 1 3 369.484 3.010 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224543 504578664 /nfs/dbraw/zinc/57/86/64/504578664.db2.gz LERMQLYTIREVEL-JXFKEZNVSA-N 1 3 352.494 3.199 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000536216963 504669051 /nfs/dbraw/zinc/66/90/51/504669051.db2.gz WETVXUYKHGNOSG-UHFFFAOYSA-N 1 3 359.514 3.030 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505490 504673772 /nfs/dbraw/zinc/67/37/72/504673772.db2.gz DKIJRVVVFHDJAL-STQMWFEESA-N 1 3 361.349 3.398 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505490 504673778 /nfs/dbraw/zinc/67/37/78/504673778.db2.gz DKIJRVVVFHDJAL-STQMWFEESA-N 1 3 361.349 3.398 20 0 FGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1c(F)cccc1Cl ZINC000532531361 504684864 /nfs/dbraw/zinc/68/48/64/504684864.db2.gz SAEAYKDJOSESNA-HNNXBMFYSA-N 1 3 354.897 3.094 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000539852807 504718658 /nfs/dbraw/zinc/71/86/58/504718658.db2.gz SNHCPDFMGSWUPE-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000539852807 504718661 /nfs/dbraw/zinc/71/86/61/504718661.db2.gz SNHCPDFMGSWUPE-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932582 504741846 /nfs/dbraw/zinc/74/18/46/504741846.db2.gz SVADYIDNWZTRTA-GHTZIAJQSA-N 1 3 373.541 3.213 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033594 504776465 /nfs/dbraw/zinc/77/64/65/504776465.db2.gz BSBYJAPGNYUKRL-QZTJIDSGSA-N 1 3 357.542 3.221 20 0 FGADHO Cc1cnn(CCCCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000565144896 504807432 /nfs/dbraw/zinc/80/74/32/504807432.db2.gz FOJMLHOTRQWKBK-WOJBJXKFSA-N 1 3 362.562 3.183 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565155064 504810480 /nfs/dbraw/zinc/81/04/80/504810480.db2.gz ILFGIWJRDWRTRL-VQTJNVASSA-N 1 3 371.912 3.021 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472592 504831887 /nfs/dbraw/zinc/83/18/87/504831887.db2.gz SRALUNYUWBLFHD-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472592 504831890 /nfs/dbraw/zinc/83/18/90/504831890.db2.gz SRALUNYUWBLFHD-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)CN1CCCC1 ZINC000549523471 504841716 /nfs/dbraw/zinc/84/17/16/504841716.db2.gz ULAMKGICCROHGU-SJLPKXTDSA-N 1 3 367.331 3.263 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742850 504921422 /nfs/dbraw/zinc/92/14/22/504921422.db2.gz GQLYLJCLAMNTAR-CZAYHTPWSA-N 1 3 359.558 3.301 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000553492679 504931309 /nfs/dbraw/zinc/93/13/09/504931309.db2.gz GXPZZGKDLYSTGU-PGRDOPGGSA-N 1 3 369.553 3.402 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000562772911 504940852 /nfs/dbraw/zinc/94/08/52/504940852.db2.gz FLHZDEPHAIEGPG-HXUWFJFHSA-N 1 3 356.514 3.456 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000562772911 504940853 /nfs/dbraw/zinc/94/08/53/504940853.db2.gz FLHZDEPHAIEGPG-HXUWFJFHSA-N 1 3 356.514 3.456 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000565757693 504979026 /nfs/dbraw/zinc/97/90/26/504979026.db2.gz CZHMYARAKDOKAP-CMOCDZPBSA-N 1 3 358.526 3.215 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000565757693 504979031 /nfs/dbraw/zinc/97/90/31/504979031.db2.gz CZHMYARAKDOKAP-CMOCDZPBSA-N 1 3 358.526 3.215 20 0 FGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000556869028 505001389 /nfs/dbraw/zinc/00/13/89/505001389.db2.gz DHFWNOMSBWDWNF-MRXNPFEDSA-N 1 3 365.512 3.434 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000562985204 505009540 /nfs/dbraw/zinc/00/95/40/505009540.db2.gz ILKZOQFCHGYHRD-JOCHJYFZSA-N 1 3 368.521 3.100 20 0 FGADHO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000556958338 505031193 /nfs/dbraw/zinc/03/11/93/505031193.db2.gz CYUSTIHVCAVFPV-QHCPKHFHSA-N 1 3 373.585 3.448 20 0 FGADHO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000556958338 505031197 /nfs/dbraw/zinc/03/11/97/505031197.db2.gz CYUSTIHVCAVFPV-QHCPKHFHSA-N 1 3 373.585 3.448 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000565982615 505045314 /nfs/dbraw/zinc/04/53/14/505045314.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000565982615 505045319 /nfs/dbraw/zinc/04/53/19/505045319.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 1 3 374.573 3.315 20 0 FGADHO Cc1nc2ccccc2n1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089580 505077148 /nfs/dbraw/zinc/07/71/48/505077148.db2.gz RRXSIHZGIYQBDN-UGKGYDQZSA-N 1 3 362.477 3.190 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092201 505077597 /nfs/dbraw/zinc/07/75/97/505077597.db2.gz OXQBEVDQIFMCPK-NZUILWFCSA-N 1 3 359.905 3.268 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563262160 505091128 /nfs/dbraw/zinc/09/11/28/505091128.db2.gz LAQAOYMODFBGFN-GOSISDBHSA-N 1 3 373.928 3.477 20 0 FGADHO C[C@H](N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860295 505115304 /nfs/dbraw/zinc/11/53/04/505115304.db2.gz ITAJUWAORVVUFO-YJBOKZPZSA-N 1 3 353.466 3.426 20 0 FGADHO C[C@H](N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860293 505115582 /nfs/dbraw/zinc/11/55/82/505115582.db2.gz ITAJUWAORVVUFO-MAUKXSAKSA-N 1 3 353.466 3.426 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255267 505126847 /nfs/dbraw/zinc/12/68/47/505126847.db2.gz RCUYTHSPCVNYFX-IRXDYDNUSA-N 1 3 364.534 3.273 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4C[C@@H]3C)CC2)CC1 ZINC000566445100 505178802 /nfs/dbraw/zinc/17/88/02/505178802.db2.gz NQAJKVKHPJJBRC-SFHVURJKSA-N 1 3 369.553 3.156 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3ccncc3F)cc2)CC1 ZINC000551267652 505189401 /nfs/dbraw/zinc/18/94/01/505189401.db2.gz HNZCQRDHYKEHDP-QGZVFWFLSA-N 1 3 356.489 3.209 20 0 FGADHO C[C@H]1CN(CCCCC[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676523 505241513 /nfs/dbraw/zinc/24/15/13/505241513.db2.gz RCUWVGWUYDSETP-OALUTQOASA-N 1 3 350.547 3.444 20 0 FGADHO C[C@H]1CN(CCCCC[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676523 505241516 /nfs/dbraw/zinc/24/15/16/505241516.db2.gz RCUWVGWUYDSETP-OALUTQOASA-N 1 3 350.547 3.444 20 0 FGADHO COc1cc(C)c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000551619196 505268367 /nfs/dbraw/zinc/26/83/67/505268367.db2.gz DPZSTBGSLPTJJD-UHFFFAOYSA-N 1 3 369.509 3.470 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952123 505286710 /nfs/dbraw/zinc/28/67/10/505286710.db2.gz BRRUSHLHSPJRIH-ZPMCFJSWSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952123 505286713 /nfs/dbraw/zinc/28/67/13/505286713.db2.gz BRRUSHLHSPJRIH-ZPMCFJSWSA-N 1 3 356.485 3.372 20 0 FGADHO CN(CCCN(C)Cc1ccc(-c2ccncc2)cc1F)CC[NH+](C)C ZINC000554889458 505291799 /nfs/dbraw/zinc/29/17/99/505291799.db2.gz OIZPYYGZSRTBML-UHFFFAOYSA-N 1 3 358.505 3.203 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)Cc1ccncc1 ZINC000564005410 505299902 /nfs/dbraw/zinc/29/99/02/505299902.db2.gz FVJSPZITPONWGX-OAQYLSRUSA-N 1 3 372.557 3.159 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)Cc1ccncc1 ZINC000564005410 505299907 /nfs/dbraw/zinc/29/99/07/505299907.db2.gz FVJSPZITPONWGX-OAQYLSRUSA-N 1 3 372.557 3.159 20 0 FGADHO CC(C)[NH2+]CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000558157389 505322285 /nfs/dbraw/zinc/32/22/85/505322285.db2.gz JBHRGXBHRMLHFL-UHFFFAOYSA-N 1 3 353.510 3.420 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2nccs2)CC1 ZINC000558192946 505331669 /nfs/dbraw/zinc/33/16/69/505331669.db2.gz QZGLVJNKBPFDNR-UHFFFAOYSA-N 1 3 358.555 3.398 20 0 FGADHO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093961 505361512 /nfs/dbraw/zinc/36/15/12/505361512.db2.gz WOMWNCLMGRVEHF-YJBOKZPZSA-N 1 3 370.440 3.015 20 0 FGADHO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093958 505362012 /nfs/dbraw/zinc/36/20/12/505362012.db2.gz WOMWNCLMGRVEHF-CRAIPNDOSA-N 1 3 370.440 3.015 20 0 FGADHO CCc1cc(CCC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)on1 ZINC000564250056 505362725 /nfs/dbraw/zinc/36/27/25/505362725.db2.gz AJIVQHDZWCGNEH-QZTJIDSGSA-N 1 3 363.546 3.381 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552043959 505380459 /nfs/dbraw/zinc/38/04/59/505380459.db2.gz IERNONIFXQDNEQ-QYZOEREBSA-N 1 3 351.604 3.201 20 0 FGADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159389 505380875 /nfs/dbraw/zinc/38/08/75/505380875.db2.gz UHTSFDWEIWBWJQ-QGCDCVKKSA-N 1 3 368.477 3.308 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000564374364 505398704 /nfs/dbraw/zinc/39/87/04/505398704.db2.gz VPHIBWIPFLVQFU-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000564374364 505398709 /nfs/dbraw/zinc/39/87/09/505398709.db2.gz VPHIBWIPFLVQFU-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552250876 505441637 /nfs/dbraw/zinc/44/16/37/505441637.db2.gz DHWGHFHNDAPSNQ-WBADGQHESA-N 1 3 374.569 3.300 20 0 FGADHO NC[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000564553565 505451558 /nfs/dbraw/zinc/45/15/58/505451558.db2.gz VMYKSJLEQJKPHS-NRFANRHFSA-N 1 3 366.509 3.013 20 0 FGADHO COc1ccc(-n2ccc(CNC3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000567566074 505500430 /nfs/dbraw/zinc/50/04/30/505500430.db2.gz SUDKVWPYFFCGKU-UHFFFAOYSA-N 1 3 363.465 3.035 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000558883385 505520015 /nfs/dbraw/zinc/52/00/15/505520015.db2.gz LZUXKRAVAVWDKY-QGZVFWFLSA-N 1 3 366.937 3.116 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000562138645 505526949 /nfs/dbraw/zinc/52/69/49/505526949.db2.gz FFWMZPJBPZWXKP-BJLQDIEVSA-N 1 3 360.546 3.016 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000562138645 505526952 /nfs/dbraw/zinc/52/69/52/505526952.db2.gz FFWMZPJBPZWXKP-BJLQDIEVSA-N 1 3 360.546 3.016 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000562237975 505547822 /nfs/dbraw/zinc/54/78/22/505547822.db2.gz UVLSNDGEVIJROR-LJQANCHMSA-N 1 3 374.573 3.113 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000562237975 505547825 /nfs/dbraw/zinc/54/78/25/505547825.db2.gz UVLSNDGEVIJROR-LJQANCHMSA-N 1 3 374.573 3.113 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCC1 ZINC000612338825 506534790 /nfs/dbraw/zinc/53/47/90/506534790.db2.gz OVHVRFQCMBEGKX-FQEVSTJZSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634591 506641251 /nfs/dbraw/zinc/64/12/51/506641251.db2.gz QENDFSIMLWAROU-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634591 506641257 /nfs/dbraw/zinc/64/12/57/506641257.db2.gz QENDFSIMLWAROU-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112286 506718365 /nfs/dbraw/zinc/71/83/65/506718365.db2.gz SMQCXFBCEHBARD-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092937 506772864 /nfs/dbraw/zinc/77/28/64/506772864.db2.gz SGXDGJYPJCYSOD-RTBURBONSA-N 1 3 359.558 3.176 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092937 506772873 /nfs/dbraw/zinc/77/28/73/506772873.db2.gz SGXDGJYPJCYSOD-RTBURBONSA-N 1 3 359.558 3.176 20 0 FGADHO COC(=O)c1ccc(CNCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000597133510 506795025 /nfs/dbraw/zinc/79/50/25/506795025.db2.gz UURXPIPPDVVJEO-UHFFFAOYSA-N 1 3 356.919 3.044 20 0 FGADHO COC(=O)c1ccc(C[NH2+]CC2(SC)CCN(C)CC2)cc1Cl ZINC000597133510 506795031 /nfs/dbraw/zinc/79/50/31/506795031.db2.gz UURXPIPPDVVJEO-UHFFFAOYSA-N 1 3 356.919 3.044 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491480 506808364 /nfs/dbraw/zinc/80/83/64/506808364.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491480 506808371 /nfs/dbraw/zinc/80/83/71/506808371.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 1 3 369.553 3.374 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(CC)CC)cc1 ZINC000612981863 506849244 /nfs/dbraw/zinc/84/92/44/506849244.db2.gz GFVXKOYYQRHBIU-UXHICEINSA-N 1 3 372.557 3.073 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000594099583 506938806 /nfs/dbraw/zinc/93/88/06/506938806.db2.gz INGDZCBMYMBNNV-OAQYLSRUSA-N 1 3 372.557 3.297 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000594099583 506938812 /nfs/dbraw/zinc/93/88/12/506938812.db2.gz INGDZCBMYMBNNV-OAQYLSRUSA-N 1 3 372.557 3.297 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000583752955 506953409 /nfs/dbraw/zinc/95/34/09/506953409.db2.gz IWIGCGFGOVPCCV-SJORKVTESA-N 1 3 352.482 3.437 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863987 506968363 /nfs/dbraw/zinc/96/83/63/506968363.db2.gz RBXKLRHVNJVNTJ-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863987 506968372 /nfs/dbraw/zinc/96/83/72/506968372.db2.gz RBXKLRHVNJVNTJ-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000594262169 507049115 /nfs/dbraw/zinc/04/91/15/507049115.db2.gz MQULUNKKPCWDBH-IBGZPJMESA-N 1 3 374.529 3.109 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000605374242 507164259 /nfs/dbraw/zinc/16/42/59/507164259.db2.gz SQXAHKKCIFZTBS-AZUAARDMSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000601045987 507240963 /nfs/dbraw/zinc/24/09/63/507240963.db2.gz ZAHJGPSWJLOCOA-RBUKOAKNSA-N 1 3 371.569 3.176 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591456242 507256582 /nfs/dbraw/zinc/25/65/82/507256582.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591456242 507256589 /nfs/dbraw/zinc/25/65/89/507256589.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 1 3 373.541 3.152 20 0 FGADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000584291297 507261746 /nfs/dbraw/zinc/26/17/46/507261746.db2.gz KDZIBZDODWKSCI-INIZCTEOSA-N 1 3 372.431 3.458 20 0 FGADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000584291298 507262278 /nfs/dbraw/zinc/26/22/78/507262278.db2.gz KDZIBZDODWKSCI-MRXNPFEDSA-N 1 3 372.431 3.458 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000601215159 507298447 /nfs/dbraw/zinc/29/84/47/507298447.db2.gz YBFSFZMBECNTHK-DLBZAZTESA-N 1 3 364.559 3.057 20 0 FGADHO Ic1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594993440 507344849 /nfs/dbraw/zinc/34/48/49/507344849.db2.gz GJYIBLVTSSZGTK-HZPDHXFCSA-N 1 3 370.278 3.050 20 0 FGADHO Ic1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594993440 507344851 /nfs/dbraw/zinc/34/48/51/507344851.db2.gz GJYIBLVTSSZGTK-HZPDHXFCSA-N 1 3 370.278 3.050 20 0 FGADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660223 507472224 /nfs/dbraw/zinc/47/22/24/507472224.db2.gz YEPXZIVGPJFHGM-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227762 507659178 /nfs/dbraw/zinc/65/91/78/507659178.db2.gz NIHCVAGVAMLUDW-FQEVSTJZSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000607231426 507662589 /nfs/dbraw/zinc/66/25/89/507662589.db2.gz RXGLVBMWJRBLCR-UXHICEINSA-N 1 3 372.557 3.167 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662393 516708601 /nfs/dbraw/zinc/70/86/01/516708601.db2.gz VDCFAZCNGKFTBE-ACRUOGEOSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662393 516708614 /nfs/dbraw/zinc/70/86/14/516708614.db2.gz VDCFAZCNGKFTBE-ACRUOGEOSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662393 516708626 /nfs/dbraw/zinc/70/86/26/516708626.db2.gz VDCFAZCNGKFTBE-ACRUOGEOSA-N 1 3 365.525 3.169 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000643228247 568026834 /nfs/dbraw/zinc/02/68/34/568026834.db2.gz XNEYHUTXWDIVIA-QNGMFEMESA-N 1 3 372.557 3.071 20 0 FGADHO c1cc2c(cc1-c1nnn[n-]1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518086 608511574 /nfs/dbraw/zinc/51/15/74/608511574.db2.gz BGVICHARBJZEKT-HXUWFJFHSA-N 1 3 368.529 3.490 20 0 FGADHO c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518086 608511576 /nfs/dbraw/zinc/51/15/76/608511576.db2.gz BGVICHARBJZEKT-HXUWFJFHSA-N 1 3 368.529 3.490 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948690 609133570 /nfs/dbraw/zinc/13/35/70/609133570.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948690 609133571 /nfs/dbraw/zinc/13/35/71/609133571.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948690 609133573 /nfs/dbraw/zinc/13/35/73/609133573.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948690 609133574 /nfs/dbraw/zinc/13/35/74/609133574.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 1 3 360.481 3.169 20 0 FGADHO CN(CC(=O)Nc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000098002019 700464313 /nfs/dbraw/zinc/46/43/13/700464313.db2.gz FAIXGVBOSSCRRF-UHFFFAOYSA-N 1 3 374.710 3.243 20 0 FGADHO CCN(CC1CC[NH+](CC[C@@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC000124827383 700725415 /nfs/dbraw/zinc/72/54/15/700725415.db2.gz PVMRHUCXSDSFLK-SFHVURJKSA-N 1 3 353.551 3.440 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000154922590 705055044 /nfs/dbraw/zinc/05/50/44/705055044.db2.gz RPUVMKNRUJKASC-QGZVFWFLSA-N 1 3 355.320 3.289 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000154922590 705055049 /nfs/dbraw/zinc/05/50/49/705055049.db2.gz RPUVMKNRUJKASC-QGZVFWFLSA-N 1 3 355.320 3.289 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414926575 714005860 /nfs/dbraw/zinc/00/58/60/714005860.db2.gz NNQLHWUAIQETRH-ZLDLUXBVSA-N 1 3 354.292 3.026 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422996 715333103 /nfs/dbraw/zinc/33/31/03/715333103.db2.gz PFTBWVQDOKVHBP-LSDHHAIUSA-N 1 3 353.457 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422996 715333109 /nfs/dbraw/zinc/33/31/09/715333109.db2.gz PFTBWVQDOKVHBP-LSDHHAIUSA-N 1 3 353.457 3.329 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@@H](C)O1 ZINC000623425052 715333619 /nfs/dbraw/zinc/33/36/19/715333619.db2.gz OZMDCNLCNIXAEP-HUUCEWRRSA-N 1 3 355.473 3.010 20 0 FGADHO O[C@H](CN[C@H]1CCCC[C@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872080 715420521 /nfs/dbraw/zinc/42/05/21/715420521.db2.gz VFTCGANELKEFAW-NZSAHSFTSA-N 1 3 352.519 3.275 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118283 715475541 /nfs/dbraw/zinc/47/55/41/715475541.db2.gz DHROZYMGRFAIJS-LJQANCHMSA-N 1 3 365.949 3.398 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626040506 715834907 /nfs/dbraw/zinc/83/49/07/715834907.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 1 3 367.331 3.082 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626040506 715834917 /nfs/dbraw/zinc/83/49/17/715834917.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 1 3 367.331 3.082 20 0 FGADHO C[C@]1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272120 716133307 /nfs/dbraw/zinc/13/33/07/716133307.db2.gz DRXXXVFWIZSJSX-NHCUHLMSSA-N 1 3 359.583 3.164 20 0 FGADHO C[C@]1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272120 716133308 /nfs/dbraw/zinc/13/33/08/716133308.db2.gz DRXXXVFWIZSJSX-NHCUHLMSSA-N 1 3 359.583 3.164 20 0 FGADHO CN(CCOCC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000629580687 716310775 /nfs/dbraw/zinc/31/07/75/716310775.db2.gz DMONLXFIHLEUIR-UHFFFAOYSA-N 1 3 364.902 3.123 20 0 FGADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000638580096 717467427 /nfs/dbraw/zinc/46/74/27/717467427.db2.gz CAVJOILTYODMJU-QGZVFWFLSA-N 1 3 367.331 3.261 20 0 FGADHO [NH3+]C[C@@H]1CCN(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2ccccc21 ZINC000639063075 717510447 /nfs/dbraw/zinc/51/04/47/717510447.db2.gz BFYWLMMWAFFCRS-YDHLFZDLSA-N 1 3 356.388 3.213 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619335 718134432 /nfs/dbraw/zinc/13/44/32/718134432.db2.gz CZPOCBFPPYSQJZ-VSZNYVQBSA-N 1 3 356.432 3.190 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000645159434 718188276 /nfs/dbraw/zinc/18/82/76/718188276.db2.gz ALONTSRWORKSLT-ZWKOTPCHSA-N 1 3 366.575 3.257 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000645159434 718188278 /nfs/dbraw/zinc/18/82/78/718188278.db2.gz ALONTSRWORKSLT-ZWKOTPCHSA-N 1 3 366.575 3.257 20 0 FGADHO C[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245741 /nfs/dbraw/zinc/24/57/41/718245741.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245743 /nfs/dbraw/zinc/24/57/43/718245743.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 1 3 352.563 3.406 20 0 FGADHO CC[C@@H]1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497700 718364140 /nfs/dbraw/zinc/36/41/40/718364140.db2.gz RQFFLCWODHMLSM-ZBFHGGJFSA-N 1 3 352.404 3.450 20 0 FGADHO Cc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708144 718717796 /nfs/dbraw/zinc/71/77/96/718717796.db2.gz UIKRAZRBOYEEEF-JZXOWHBKSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723167 718720689 /nfs/dbraw/zinc/72/06/89/718720689.db2.gz IETRBIBSCDKGNS-ZTFGCOKTSA-N 1 3 358.511 3.066 20 0 FGADHO FC(F)(F)[C@@H]1N(c2ncccc2CN2CCCC2)CCC12CC[NH2+]CC2 ZINC001164388576 718815818 /nfs/dbraw/zinc/81/58/18/718815818.db2.gz PYMHTYJSLIAZJQ-QGZVFWFLSA-N 1 3 368.447 3.188 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479518 718818477 /nfs/dbraw/zinc/81/84/77/718818477.db2.gz HHBVQGYOHSEUTI-LAVFITLUSA-N 1 3 355.448 3.089 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479518 718818484 /nfs/dbraw/zinc/81/84/84/718818484.db2.gz HHBVQGYOHSEUTI-LAVFITLUSA-N 1 3 355.448 3.089 20 0 FGADHO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001164623032 719047571 /nfs/dbraw/zinc/04/75/71/719047571.db2.gz LMRHSSLVHSEYHG-GGAORHGYSA-N 1 3 362.521 3.261 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442694 719293529 /nfs/dbraw/zinc/29/35/29/719293529.db2.gz VXJGJEPDIXHVRR-MBOZVWFJSA-N 1 3 361.555 3.027 20 0 FGADHO Cc1ccc(Br)cc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757139 719335521 /nfs/dbraw/zinc/33/55/21/719335521.db2.gz CKPHSIKHVGHJAD-SFHVURJKSA-N 1 3 367.331 3.491 20 0 FGADHO CC(C)C[C@@H]([NH3+])c1noc(-c2sc3c(c2Br)CNC3)n1 ZINC000656559974 719410217 /nfs/dbraw/zinc/41/02/17/719410217.db2.gz CPQKDQPYTGNWMH-MRVPVSSYSA-N 1 3 357.277 3.210 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657368519 719634897 /nfs/dbraw/zinc/63/48/97/719634897.db2.gz XZWIWNJIPBPOQV-OKILXGFUSA-N 1 3 360.420 3.406 20 0 FGADHO COCc1csc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000657494024 719660556 /nfs/dbraw/zinc/66/05/56/719660556.db2.gz CHZYHTFEXMUVKV-UHFFFAOYSA-N 1 3 360.523 3.011 20 0 FGADHO CO[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CCCCC1 ZINC000660108169 719990346 /nfs/dbraw/zinc/99/03/46/719990346.db2.gz VIVKDWOOCHIJRP-NRFANRHFSA-N 1 3 351.579 3.072 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094644 /nfs/dbraw/zinc/09/46/44/720094644.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 1 3 360.889 3.350 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094649 /nfs/dbraw/zinc/09/46/49/720094649.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 1 3 360.889 3.350 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094698 /nfs/dbraw/zinc/09/46/98/720094698.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 1 3 356.432 3.027 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094700 /nfs/dbraw/zinc/09/47/00/720094700.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 1 3 356.432 3.027 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280915 720409072 /nfs/dbraw/zinc/40/90/72/720409072.db2.gz HIZDPIATCLMMFH-WBVHZDCISA-N 1 3 356.482 3.275 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662313726 720414013 /nfs/dbraw/zinc/41/40/13/720414013.db2.gz YQADYNRQLPVMHP-CZUORRHYSA-N 1 3 357.420 3.483 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CCC[NH3+] ZINC000662312965 720414033 /nfs/dbraw/zinc/41/40/33/720414033.db2.gz CMDUMZFSJRNVTL-CZUORRHYSA-N 1 3 357.420 3.483 20 0 FGADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000662347173 720417566 /nfs/dbraw/zinc/41/75/66/720417566.db2.gz CYQNMIAUQGPZKK-MSOLQXFVSA-N 1 3 355.507 3.236 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662386066 720423700 /nfs/dbraw/zinc/42/37/00/720423700.db2.gz RDGHDRXKDZQXNS-UHFFFAOYSA-N 1 3 357.523 3.164 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662386066 720423703 /nfs/dbraw/zinc/42/37/03/720423703.db2.gz RDGHDRXKDZQXNS-UHFFFAOYSA-N 1 3 357.523 3.164 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554067 720785058 /nfs/dbraw/zinc/78/50/58/720785058.db2.gz FFMJEZXRDYNJCX-IRXDYDNUSA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554067 720785062 /nfs/dbraw/zinc/78/50/62/720785062.db2.gz FFMJEZXRDYNJCX-IRXDYDNUSA-N 1 3 366.937 3.115 20 0 FGADHO FC(F)Oc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953500 721004938 /nfs/dbraw/zinc/00/49/38/721004938.db2.gz ADJSCTGBUQDDOM-ZDUSSCGKSA-N 1 3 361.230 3.282 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000673615682 721668103 /nfs/dbraw/zinc/66/81/03/721668103.db2.gz WKAHMIBBAXUOCP-FQEVSTJZSA-N 1 3 362.901 3.494 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789126 722409919 /nfs/dbraw/zinc/40/99/19/722409919.db2.gz SZKMREOUBPMTTN-KSZLIROESA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974706 /nfs/dbraw/zinc/97/47/06/722974706.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974707 /nfs/dbraw/zinc/97/47/07/722974707.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000794836950 723548527 /nfs/dbraw/zinc/54/85/27/723548527.db2.gz QJXTWTJPIPTESW-AQEOSJORSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766272462 723565457 /nfs/dbraw/zinc/56/54/57/723565457.db2.gz JEBAUUHYZQVXJG-JKSUJKDBSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766272462 723565458 /nfs/dbraw/zinc/56/54/58/723565458.db2.gz JEBAUUHYZQVXJG-JKSUJKDBSA-N 1 3 351.922 3.151 20 0 FGADHO Brc1ccoc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771896199 723744717 /nfs/dbraw/zinc/74/47/17/723744717.db2.gz LQLJKDQIACPYNY-UHFFFAOYSA-N 1 3 350.260 3.443 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(Br)c1 ZINC000774208875 723869905 /nfs/dbraw/zinc/86/99/05/723869905.db2.gz KLUCVCIBARLANF-WWTUQBGBSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Br)c1 ZINC000774208875 723869908 /nfs/dbraw/zinc/86/99/08/723869908.db2.gz KLUCVCIBARLANF-WWTUQBGBSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621012 724011526 /nfs/dbraw/zinc/01/15/26/724011526.db2.gz GXHMXTGEHRMGDC-XDNAFOTISA-N 1 3 353.551 3.390 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621012 724011532 /nfs/dbraw/zinc/01/15/32/724011532.db2.gz GXHMXTGEHRMGDC-XDNAFOTISA-N 1 3 353.551 3.390 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012045 724353544 /nfs/dbraw/zinc/35/35/44/724353544.db2.gz HQGLEZWDWRSPTC-CRAIPNDOSA-N 1 3 366.937 3.116 20 0 FGADHO c1nc(C2OCCO2)sc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000809623809 725253119 /nfs/dbraw/zinc/25/31/19/725253119.db2.gz ADUYTEDBOLLAFY-UHFFFAOYSA-N 1 3 351.516 3.075 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505149 725370344 /nfs/dbraw/zinc/37/03/44/725370344.db2.gz GVLJOQLCTKBMLR-LPHOPBHVSA-N 1 3 369.912 3.271 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505149 725370348 /nfs/dbraw/zinc/37/03/48/725370348.db2.gz GVLJOQLCTKBMLR-LPHOPBHVSA-N 1 3 369.912 3.271 20 0 FGADHO CCCCN1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819042148 727341131 /nfs/dbraw/zinc/34/11/31/727341131.db2.gz GGHSQBZNRZRMOL-KRWDZBQOSA-N 1 3 355.320 3.337 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282915 /nfs/dbraw/zinc/28/29/15/729282915.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 1 3 351.535 3.048 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282916 /nfs/dbraw/zinc/28/29/16/729282916.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 1 3 351.535 3.048 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000823489257 729284924 /nfs/dbraw/zinc/28/49/24/729284924.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 1 3 353.551 3.199 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000823489257 729284928 /nfs/dbraw/zinc/28/49/28/729284928.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 1 3 353.551 3.199 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699075 729299565 /nfs/dbraw/zinc/29/95/65/729299565.db2.gz ZUDPOVAXFHZTKF-OKZBNKHCSA-N 1 3 353.551 3.344 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823736473 729301943 /nfs/dbraw/zinc/30/19/43/729301943.db2.gz CNYUQLGSXCHQEI-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533121 729431440 /nfs/dbraw/zinc/43/14/40/729431440.db2.gz CNTXKKGZZPQPIS-KRWDZBQOSA-N 1 3 366.937 3.012 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533121 729431441 /nfs/dbraw/zinc/43/14/41/729431441.db2.gz CNTXKKGZZPQPIS-KRWDZBQOSA-N 1 3 366.937 3.012 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566640 729814992 /nfs/dbraw/zinc/81/49/92/729814992.db2.gz PTLVZAFTUVTONT-RCCFBDPRSA-N 1 3 353.551 3.484 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364221 730610732 /nfs/dbraw/zinc/61/07/32/730610732.db2.gz SRRUYRXNHWCTQU-CYBMUJFWSA-N 1 3 355.404 3.108 20 0 FGADHO COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850431212 731356504 /nfs/dbraw/zinc/35/65/04/731356504.db2.gz UPYMSFZXDRKIKC-OAQYLSRUSA-N 1 3 352.563 3.452 20 0 FGADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850431212 731356509 /nfs/dbraw/zinc/35/65/09/731356509.db2.gz UPYMSFZXDRKIKC-OAQYLSRUSA-N 1 3 352.563 3.452 20 0 FGADHO CN(CCOCC(F)(F)C(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212432 732290647 /nfs/dbraw/zinc/29/06/47/732290647.db2.gz JSSOCVAIGCAHNY-UHFFFAOYSA-N 1 3 354.363 3.394 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283549 732804217 /nfs/dbraw/zinc/80/42/17/732804217.db2.gz KIFCKWMROSBLJQ-RBSFLKMASA-N 1 3 361.477 3.094 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283549 732804220 /nfs/dbraw/zinc/80/42/20/732804220.db2.gz KIFCKWMROSBLJQ-RBSFLKMASA-N 1 3 361.477 3.094 20 0 FGADHO COc1cc(OC)c([C@@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289617 735746790 /nfs/dbraw/zinc/74/67/90/735746790.db2.gz JURYDURWCMBMFJ-ZIAGYGMSSA-N 1 3 368.905 3.167 20 0 FGADHO CN1CC[C@@H]2C[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010702 /nfs/dbraw/zinc/01/07/02/737010702.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010706 /nfs/dbraw/zinc/01/07/06/737010706.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO C[NH+]1CCC(N2CCC(Nc3cc(Cl)nc(C4CCC4)n3)CC2)CC1 ZINC000892153681 739971732 /nfs/dbraw/zinc/97/17/32/739971732.db2.gz PDCPPZAEMHQLMB-UHFFFAOYSA-N 1 3 363.937 3.368 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892465741 740003484 /nfs/dbraw/zinc/00/34/84/740003484.db2.gz GJYCVJFVUDJWTN-OALUTQOASA-N 1 3 350.478 3.252 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894385867 742276657 /nfs/dbraw/zinc/27/66/57/742276657.db2.gz WGMFJEZBUBVPRL-UHFFFAOYSA-N 1 3 352.935 3.067 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894456172 742285839 /nfs/dbraw/zinc/28/58/39/742285839.db2.gz MLNPMZGTULGUAL-RBUKOAKNSA-N 1 3 350.478 3.204 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902434970 743743652 /nfs/dbraw/zinc/74/36/52/743743652.db2.gz QVQXOQZMASTPLW-SDDULXJBSA-N 1 3 362.505 3.090 20 0 FGADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097249 743804469 /nfs/dbraw/zinc/80/44/69/743804469.db2.gz DWIHINNEGIGQLZ-ONQFOCNCSA-N 1 3 351.535 3.283 20 0 FGADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097249 743804471 /nfs/dbraw/zinc/80/44/71/743804471.db2.gz DWIHINNEGIGQLZ-ONQFOCNCSA-N 1 3 351.535 3.283 20 0 FGADHO Fc1cccc(C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1F ZINC000903763223 743881540 /nfs/dbraw/zinc/88/15/40/743881540.db2.gz ISTKHYDLMRLRKA-INIZCTEOSA-N 1 3 350.453 3.303 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393606 758912396 /nfs/dbraw/zinc/91/23/96/758912396.db2.gz MLGTYMRYLFNWBA-VXNCWWDNSA-N 1 3 351.922 3.003 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393606 758912397 /nfs/dbraw/zinc/91/23/97/758912397.db2.gz MLGTYMRYLFNWBA-VXNCWWDNSA-N 1 3 351.922 3.003 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392066 758912978 /nfs/dbraw/zinc/91/29/78/758912978.db2.gz AZFZXNTVAQEXHY-XSYGEPLQSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392066 758912988 /nfs/dbraw/zinc/91/29/88/758912988.db2.gz AZFZXNTVAQEXHY-XSYGEPLQSA-N 1 3 363.571 3.370 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)n1 ZINC000925440375 759488599 /nfs/dbraw/zinc/48/85/99/759488599.db2.gz RDYABJFKOZIJSM-KFWWJZLASA-N 1 3 370.335 3.384 20 0 FGADHO O=S1(=O)CC[C@H](NCCCCCC2CC[NH2+]CC2)c2cc(F)ccc21 ZINC000925806481 759546344 /nfs/dbraw/zinc/54/63/44/759546344.db2.gz DXCZHOYFGBLUFT-SFHVURJKSA-N 1 3 368.518 3.194 20 0 FGADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850619 759558493 /nfs/dbraw/zinc/55/84/93/759558493.db2.gz KLZIKMIUPDWMKI-XHDPSFHLSA-N 1 3 357.281 3.329 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2csc(C)c2)CC[N@@H+]1C ZINC000960643185 762736880 /nfs/dbraw/zinc/73/68/80/762736880.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2csc(C)c2)CC[N@H+]1C ZINC000960643185 762736882 /nfs/dbraw/zinc/73/68/82/762736882.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001020174442 765866661 /nfs/dbraw/zinc/86/66/61/765866661.db2.gz BEBISUMFGHFSFU-LSTDLKDCSA-N 1 3 363.933 3.116 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001020174442 765866665 /nfs/dbraw/zinc/86/66/65/765866665.db2.gz BEBISUMFGHFSFU-LSTDLKDCSA-N 1 3 363.933 3.116 20 0 FGADHO C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293555304 257380013 /nfs/dbraw/zinc/38/00/13/257380013.db2.gz FLQSRXSSCODFFR-DZFGPLHGSA-N 1 3 351.494 3.103 20 0 FGADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000570799429 505583455 /nfs/dbraw/zinc/58/34/55/505583455.db2.gz ODPVUFILZBGMBW-UHFFFAOYSA-N 1 3 369.431 3.010 20 0 FGADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000570799429 505583458 /nfs/dbraw/zinc/58/34/58/505583458.db2.gz ODPVUFILZBGMBW-UHFFFAOYSA-N 1 3 369.431 3.010 20 0 FGADHO CCN(CCC1CC1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000568147314 505627786 /nfs/dbraw/zinc/62/77/86/505627786.db2.gz ZFPKOUCBNMKGPZ-UHFFFAOYSA-N 1 3 357.542 3.198 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000571196822 505677124 /nfs/dbraw/zinc/67/71/24/505677124.db2.gz WTVZNCUOJXLVEF-GOSISDBHSA-N 1 3 353.514 3.465 20 0 FGADHO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)C1 ZINC000571196822 505677128 /nfs/dbraw/zinc/67/71/28/505677128.db2.gz WTVZNCUOJXLVEF-GOSISDBHSA-N 1 3 353.514 3.465 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000571214193 505680788 /nfs/dbraw/zinc/68/07/88/505680788.db2.gz VXQZJVOPKJGEAF-LJQANCHMSA-N 1 3 360.546 3.171 20 0 FGADHO CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885838 493790771 /nfs/dbraw/zinc/79/07/71/493790771.db2.gz HVXIWAGMRALQOJ-NRFANRHFSA-N 1 3 359.558 3.237 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)CCN(C)C)c2)cc1 ZINC000068353168 493803239 /nfs/dbraw/zinc/80/32/39/493803239.db2.gz GJFGYLXIFWAKSI-INIZCTEOSA-N 1 3 355.482 3.377 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C)CC2)CC1 ZINC000068828729 493880256 /nfs/dbraw/zinc/88/02/56/493880256.db2.gz BHXPHESOHAJBIE-SFHVURJKSA-N 1 3 357.542 3.198 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387766 493880630 /nfs/dbraw/zinc/88/06/30/493880630.db2.gz CNMVLFCOEHDYBZ-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1COc2ccccc2O1 ZINC000568427422 505691459 /nfs/dbraw/zinc/69/14/59/505691459.db2.gz UUMVEMVBBVPROP-RLLQIKCJSA-N 1 3 352.478 3.327 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1COc2ccccc2O1 ZINC000568427422 505691460 /nfs/dbraw/zinc/69/14/60/505691460.db2.gz UUMVEMVBBVPROP-RLLQIKCJSA-N 1 3 352.478 3.327 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000051759064 493985707 /nfs/dbraw/zinc/98/57/07/493985707.db2.gz DTODBVITXUVMQZ-NRFANRHFSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H]1C[NH+](CCC2CCN(Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165090 505692813 /nfs/dbraw/zinc/69/28/13/505692813.db2.gz VMVJBIUHJKPFFD-ROUUACIJSA-N 1 3 357.542 3.282 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000069732937 494004565 /nfs/dbraw/zinc/00/45/65/494004565.db2.gz UBDGWTBKMJIJKB-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008464 /nfs/dbraw/zinc/00/84/64/494008464.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008467 /nfs/dbraw/zinc/00/84/67/494008467.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063407785 494052557 /nfs/dbraw/zinc/05/25/57/494052557.db2.gz XJUUBBJGECPIAJ-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000084412212 494071581 /nfs/dbraw/zinc/07/15/81/494071581.db2.gz USUWVDZBELABJU-LJQANCHMSA-N 1 3 374.554 3.124 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085362699 494116401 /nfs/dbraw/zinc/11/64/01/494116401.db2.gz XSEBRIBWUWCXDT-HBFSDRIKSA-N 1 3 374.573 3.173 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000568495063 505708540 /nfs/dbraw/zinc/70/85/40/505708540.db2.gz RHDKHRUXHQWCRA-LVCYWYKZSA-N 1 3 357.542 3.331 20 0 FGADHO CCN1CCN(CCC[NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000571335083 505709200 /nfs/dbraw/zinc/70/92/00/505709200.db2.gz XRDXXBWPPHIVGQ-ICFOKQHNSA-N 1 3 367.484 3.309 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000054509431 494242283 /nfs/dbraw/zinc/24/22/83/494242283.db2.gz PNCKPWKXPNRVMJ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000054509431 494242286 /nfs/dbraw/zinc/24/22/86/494242286.db2.gz PNCKPWKXPNRVMJ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000042929581 494252962 /nfs/dbraw/zinc/25/29/62/494252962.db2.gz VPEAPUZRBFCNFR-MOPGFXCFSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000042929581 494252968 /nfs/dbraw/zinc/25/29/68/494252968.db2.gz VPEAPUZRBFCNFR-MOPGFXCFSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239796 494279167 /nfs/dbraw/zinc/27/91/67/494279167.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239796 494279171 /nfs/dbraw/zinc/27/91/71/494279171.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000044291899 494347435 /nfs/dbraw/zinc/34/74/35/494347435.db2.gz PJWBSRVARURCNW-HXUWFJFHSA-N 1 3 352.482 3.144 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000580256989 505715521 /nfs/dbraw/zinc/71/55/21/505715521.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000580256989 505715524 /nfs/dbraw/zinc/71/55/24/505715524.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000078799684 494364005 /nfs/dbraw/zinc/36/40/05/494364005.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 1 3 357.542 3.420 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000078799684 494364008 /nfs/dbraw/zinc/36/40/08/494364008.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 1 3 357.542 3.420 20 0 FGADHO COc1cc(-c2noc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382646 505717607 /nfs/dbraw/zinc/71/76/07/505717607.db2.gz HGLKBMHMIFLZRK-OAHLLOKOSA-N 1 3 356.470 3.018 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000571372899 505717727 /nfs/dbraw/zinc/71/77/27/505717727.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 1 3 360.546 3.058 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000571372899 505717730 /nfs/dbraw/zinc/71/77/30/505717730.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 1 3 360.546 3.058 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C4(CCC4)C3)CC2)CC1 ZINC000574217806 505723057 /nfs/dbraw/zinc/72/30/57/505723057.db2.gz WCNINRUXDGRWOZ-GOSISDBHSA-N 1 3 361.574 3.221 20 0 FGADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000090937186 494504421 /nfs/dbraw/zinc/50/44/21/494504421.db2.gz UFCCPUJZUJIOAC-GOSISDBHSA-N 1 3 371.481 3.034 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074446645 494537909 /nfs/dbraw/zinc/53/79/09/494537909.db2.gz FMIOJPVDQQLDDP-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000074490524 494546571 /nfs/dbraw/zinc/54/65/71/494546571.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000074490524 494546574 /nfs/dbraw/zinc/54/65/74/494546574.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571416065 505728463 /nfs/dbraw/zinc/72/84/63/505728463.db2.gz GPXZIWHPOSOHMB-FQEVSTJZSA-N 1 3 371.550 3.160 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571416065 505728467 /nfs/dbraw/zinc/72/84/67/505728467.db2.gz GPXZIWHPOSOHMB-FQEVSTJZSA-N 1 3 371.550 3.160 20 0 FGADHO CC(C)[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000091375263 494589530 /nfs/dbraw/zinc/58/95/30/494589530.db2.gz LDIZBIBTGHJDJY-NRFANRHFSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@H]1CCC[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000115675702 494592883 /nfs/dbraw/zinc/59/28/83/494592883.db2.gz AHHAMDFQYFFBBA-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616922 494748612 /nfs/dbraw/zinc/74/86/12/494748612.db2.gz PELLDUHGPMFAFK-WMZOPIPTSA-N 1 3 356.514 3.006 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080616922 494748618 /nfs/dbraw/zinc/74/86/18/494748618.db2.gz PELLDUHGPMFAFK-WMZOPIPTSA-N 1 3 356.514 3.006 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCCCCC1 ZINC000092821316 494763346 /nfs/dbraw/zinc/76/33/46/494763346.db2.gz VEOKVGXLNSQYJB-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000075490926 494775654 /nfs/dbraw/zinc/77/56/54/494775654.db2.gz UUMWYWBBAAOHMX-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000116435249 494786093 /nfs/dbraw/zinc/78/60/93/494786093.db2.gz YPEROQFKBUDAAO-IBGZPJMESA-N 1 3 361.555 3.357 20 0 FGADHO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000116435249 494786095 /nfs/dbraw/zinc/78/60/95/494786095.db2.gz YPEROQFKBUDAAO-IBGZPJMESA-N 1 3 361.555 3.357 20 0 FGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000108811088 494790756 /nfs/dbraw/zinc/79/07/56/494790756.db2.gz SYNVGQQPYSYJIE-QUCCMNQESA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000108811088 494790762 /nfs/dbraw/zinc/79/07/62/494790762.db2.gz SYNVGQQPYSYJIE-QUCCMNQESA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116560883 494814720 /nfs/dbraw/zinc/81/47/20/494814720.db2.gz SXMUPGBOZIQHPK-OALUTQOASA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560883 494814723 /nfs/dbraw/zinc/81/47/23/494814723.db2.gz SXMUPGBOZIQHPK-OALUTQOASA-N 1 3 372.557 3.195 20 0 FGADHO CN1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525882 505744670 /nfs/dbraw/zinc/74/46/70/505744670.db2.gz NZSVDSIBWZJSLT-LPHOPBHVSA-N 1 3 357.523 3.062 20 0 FGADHO CC[C@@H](C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116740569 494845758 /nfs/dbraw/zinc/84/57/58/494845758.db2.gz IQVOZKMLOOBULE-GCJKJVERSA-N 1 3 371.569 3.491 20 0 FGADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000093688645 494912227 /nfs/dbraw/zinc/91/22/27/494912227.db2.gz YHUJAXFYPDBQBI-UHFFFAOYSA-N 1 3 350.503 3.266 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000127729678 494988223 /nfs/dbraw/zinc/98/82/23/494988223.db2.gz FGEQVYZXJCSIGN-UHFFFAOYSA-N 1 3 370.585 3.279 20 0 FGADHO Cc1cccc(Cl)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122733030 495022421 /nfs/dbraw/zinc/02/24/21/495022421.db2.gz LIGQGDHTBCBRDI-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028808 /nfs/dbraw/zinc/02/88/08/495028808.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 1 3 373.585 3.161 20 0 FGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842163 495046603 /nfs/dbraw/zinc/04/66/03/495046603.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842163 495046604 /nfs/dbraw/zinc/04/66/04/495046604.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000133726809 495052727 /nfs/dbraw/zinc/05/27/27/495052727.db2.gz KUWXPOUJXGTYCJ-NRFANRHFSA-N 1 3 374.573 3.258 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000133726809 495052730 /nfs/dbraw/zinc/05/27/30/495052730.db2.gz KUWXPOUJXGTYCJ-NRFANRHFSA-N 1 3 374.573 3.258 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241147 495053027 /nfs/dbraw/zinc/05/30/27/495053027.db2.gz LSTODCSXCJBFII-OAQYLSRUSA-N 1 3 356.510 3.386 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241147 495053031 /nfs/dbraw/zinc/05/30/31/495053031.db2.gz LSTODCSXCJBFII-OAQYLSRUSA-N 1 3 356.510 3.386 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000101596085 495082840 /nfs/dbraw/zinc/08/28/40/495082840.db2.gz DMZHTWNOCUOKOD-OAHLLOKOSA-N 1 3 360.420 3.458 20 0 FGADHO CN(CCC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102013547 495115263 /nfs/dbraw/zinc/11/52/63/495115263.db2.gz IQFOYBFXSMUMAI-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCN3CCCC3)c2)CC1 ZINC000112748517 495235822 /nfs/dbraw/zinc/23/58/22/495235822.db2.gz RVTPJIFCHBGAIK-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000124775104 495341924 /nfs/dbraw/zinc/34/19/24/495341924.db2.gz OQEPUYJVIQASCV-QGZVFWFLSA-N 1 3 359.514 3.016 20 0 FGADHO O=C(c1ccco1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000130197535 495355408 /nfs/dbraw/zinc/35/54/08/495355408.db2.gz OWQBABPOQLKULK-UHFFFAOYSA-N 1 3 359.514 3.271 20 0 FGADHO CN1CCC[N@H+](CCCNCc2ccccc2OCc2ccccc2)CC1 ZINC000105477072 495365624 /nfs/dbraw/zinc/36/56/24/495365624.db2.gz PHCGFKFGBSGPAM-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2ccccc2OCc2ccccc2)CC1 ZINC000105477072 495365627 /nfs/dbraw/zinc/36/56/27/495365627.db2.gz PHCGFKFGBSGPAM-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]4(CC=CCC4)C3)CC2)CC1 ZINC000114526462 495389634 /nfs/dbraw/zinc/38/96/34/495389634.db2.gz IPHFJCUXPFXBDM-QFIPXVFZSA-N 1 3 374.573 3.077 20 0 FGADHO CC[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000125150851 495398362 /nfs/dbraw/zinc/39/83/62/495398362.db2.gz DKJKYFVDHMDXQK-GOSISDBHSA-N 1 3 351.922 3.008 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000114950465 495445603 /nfs/dbraw/zinc/44/56/03/495445603.db2.gz SRTKHZJSMPIKKF-UHFFFAOYSA-N 1 3 374.573 3.190 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656830 505784143 /nfs/dbraw/zinc/78/41/43/505784143.db2.gz KLSDZLNQRFASNN-LAUBAEHRSA-N 1 3 368.525 3.259 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656830 505784148 /nfs/dbraw/zinc/78/41/48/505784148.db2.gz KLSDZLNQRFASNN-LAUBAEHRSA-N 1 3 368.525 3.259 20 0 FGADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497752 /nfs/dbraw/zinc/49/77/52/495497752.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 1 3 355.526 3.418 20 0 FGADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497755 /nfs/dbraw/zinc/49/77/55/495497755.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 1 3 355.526 3.418 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000125840043 495507244 /nfs/dbraw/zinc/50/72/44/495507244.db2.gz FHXRWMNIMCRFGO-ROUUACIJSA-N 1 3 364.530 3.491 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000158605091 495548491 /nfs/dbraw/zinc/54/84/91/495548491.db2.gz OZFBMHGXKYXXLP-SEJPIABJSA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000158605091 495548497 /nfs/dbraw/zinc/54/84/97/495548497.db2.gz OZFBMHGXKYXXLP-SEJPIABJSA-N 1 3 372.557 3.164 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154313964 495577557 /nfs/dbraw/zinc/57/75/57/495577557.db2.gz GWBQRBOBWOYDHV-OAHLLOKOSA-N 1 3 369.937 3.035 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154359403 495592479 /nfs/dbraw/zinc/59/24/79/495592479.db2.gz JSYLUBGTLIFXFR-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000176399797 495638552 /nfs/dbraw/zinc/63/85/52/495638552.db2.gz KRCSEBJTVGQTNN-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000176399797 495638553 /nfs/dbraw/zinc/63/85/53/495638553.db2.gz KRCSEBJTVGQTNN-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c2ccccc12 ZINC000577800203 505795160 /nfs/dbraw/zinc/79/51/60/505795160.db2.gz LCAVLDQXYRIDEA-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c2ccccc12 ZINC000577800203 505795165 /nfs/dbraw/zinc/79/51/65/505795165.db2.gz LCAVLDQXYRIDEA-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173747015 495674486 /nfs/dbraw/zinc/67/44/86/495674486.db2.gz ACWXGTISJHWHDG-NQIIRXRSSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173747015 495674491 /nfs/dbraw/zinc/67/44/91/495674491.db2.gz ACWXGTISJHWHDG-NQIIRXRSSA-N 1 3 372.557 3.084 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000150957989 495694930 /nfs/dbraw/zinc/69/49/30/495694930.db2.gz NHDYYNOCUCYIRQ-GOSISDBHSA-N 1 3 351.922 3.169 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000182782277 495700071 /nfs/dbraw/zinc/70/00/71/495700071.db2.gz CYULAUIJZPVBMD-OAQYLSRUSA-N 1 3 369.484 3.284 20 0 FGADHO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185730966 495701559 /nfs/dbraw/zinc/70/15/59/495701559.db2.gz NOUJJJVFBXCWTG-IRXDYDNUSA-N 1 3 360.498 3.095 20 0 FGADHO CC(C)n1ncc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)cnc21 ZINC000173956526 495763979 /nfs/dbraw/zinc/76/39/79/495763979.db2.gz QMSPFPKPWUFSHN-UHFFFAOYSA-N 1 3 371.529 3.089 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000577846770 505803223 /nfs/dbraw/zinc/80/32/23/505803223.db2.gz ZIBWPFOJGITETD-BFYDXBDKSA-N 1 3 351.560 3.271 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1F ZINC000179939869 495792605 /nfs/dbraw/zinc/79/26/05/495792605.db2.gz GRWVBUOANRKQPW-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1F ZINC000179939869 495792611 /nfs/dbraw/zinc/79/26/11/495792611.db2.gz GRWVBUOANRKQPW-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000171303644 495812088 /nfs/dbraw/zinc/81/20/88/495812088.db2.gz JUSINGJLQRPJSB-KDURUIRLSA-N 1 3 368.525 3.194 20 0 FGADHO OC1CC[NH+](CCCN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151381379 495822272 /nfs/dbraw/zinc/82/22/72/495822272.db2.gz WNGURDVHNWYJKV-QGZVFWFLSA-N 1 3 358.404 3.009 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155070035 495823944 /nfs/dbraw/zinc/82/39/44/495823944.db2.gz HZWNWDRQKBWUMF-TZIWHRDSSA-N 1 3 374.573 3.413 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Cl ZINC000580655198 505806745 /nfs/dbraw/zinc/80/67/45/505806745.db2.gz OBVWMBOJGUUTKM-UHFFFAOYSA-N 1 3 361.873 3.034 20 0 FGADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135821 495848992 /nfs/dbraw/zinc/84/89/92/495848992.db2.gz IFWTZSLJNIIYLZ-FDFHNCONSA-N 1 3 352.526 3.243 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc(OCCN(C)C)c1 ZINC000155502692 495976825 /nfs/dbraw/zinc/97/68/25/495976825.db2.gz AUQSSFJYRPJAQL-SFHVURJKSA-N 1 3 361.530 3.070 20 0 FGADHO OCC[NH+]1CCC(CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180485593 496017575 /nfs/dbraw/zinc/01/75/75/496017575.db2.gz YQQJTMURVODMFQ-UHFFFAOYSA-N 1 3 360.448 3.348 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629971 505819096 /nfs/dbraw/zinc/81/90/96/505819096.db2.gz JYVQUOLCQYVZGC-PXNSSMCTSA-N 1 3 364.578 3.394 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155745112 496055685 /nfs/dbraw/zinc/05/56/85/496055685.db2.gz WJGFHQOCYRCFIU-HUUCEWRRSA-N 1 3 359.436 3.262 20 0 FGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccccc1 ZINC000177479008 496078540 /nfs/dbraw/zinc/07/85/40/496078540.db2.gz FYCFYUXGNZDWCI-ZWKOTPCHSA-N 1 3 372.557 3.036 20 0 FGADHO C[C@H](c1ccccc1)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000177479044 496078566 /nfs/dbraw/zinc/07/85/66/496078566.db2.gz FYCFYUXGNZDWCI-ROUUACIJSA-N 1 3 372.557 3.036 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838571 496132042 /nfs/dbraw/zinc/13/20/42/496132042.db2.gz DYKYPCJYGJYYGY-BBWFWOEESA-N 1 3 374.529 3.085 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1CCCCCC1 ZINC000172103257 496164510 /nfs/dbraw/zinc/16/45/10/496164510.db2.gz HNQKCLOLTXUQGN-LJQANCHMSA-N 1 3 357.542 3.074 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000172171565 496193379 /nfs/dbraw/zinc/19/33/79/496193379.db2.gz QUYHAVQSCOOVKU-LJQANCHMSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OCCN(C)C)c1 ZINC000156232526 496194165 /nfs/dbraw/zinc/19/41/65/496194165.db2.gz VZEIZMATAFXDPM-SFHVURJKSA-N 1 3 368.525 3.342 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075378 496237781 /nfs/dbraw/zinc/23/77/81/496237781.db2.gz IDZKZBIBZAUNMV-QZTJIDSGSA-N 1 3 366.575 3.257 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000152756677 496247545 /nfs/dbraw/zinc/24/75/45/496247545.db2.gz INKQQJSJXVOLSY-FVELJTHGSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000187056378 496272824 /nfs/dbraw/zinc/27/28/24/496272824.db2.gz UESCYAGBMNXTID-NRFANRHFSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582475 496284019 /nfs/dbraw/zinc/28/40/19/496284019.db2.gz NIBMLDWLIRJZPN-HUBLWGQQSA-N 1 3 358.267 3.425 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582475 496284022 /nfs/dbraw/zinc/28/40/22/496284022.db2.gz NIBMLDWLIRJZPN-HUBLWGQQSA-N 1 3 358.267 3.425 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035781 496297905 /nfs/dbraw/zinc/29/79/05/496297905.db2.gz WUJUXJUFSNITIL-LMMKCTJWSA-N 1 3 362.514 3.388 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000178036629 496298287 /nfs/dbraw/zinc/29/82/87/496298287.db2.gz GQCIQDHXRUBPRY-KURKYZTESA-N 1 3 362.514 3.388 20 0 FGADHO Cc1csc(N2CCC([NH2+]Cc3ccc(OCCN(C)C)cc3)CC2)n1 ZINC000162497958 496362284 /nfs/dbraw/zinc/36/22/84/496362284.db2.gz KNTKWJYKAXIELN-UHFFFAOYSA-N 1 3 374.554 3.151 20 0 FGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000178242295 496383964 /nfs/dbraw/zinc/38/39/64/496383964.db2.gz UVLMCKYSXGOXGW-ZWKOTPCHSA-N 1 3 359.558 3.335 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000175641956 496479323 /nfs/dbraw/zinc/47/93/23/496479323.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000175641956 496479327 /nfs/dbraw/zinc/47/93/27/496479327.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000175641956 496479332 /nfs/dbraw/zinc/47/93/32/496479332.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000175641956 496479338 /nfs/dbraw/zinc/47/93/38/496479338.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](N)c1ccccc1 ZINC000178670605 496535319 /nfs/dbraw/zinc/53/53/19/496535319.db2.gz IOIVRKYFQHQPTR-DYESRHJHSA-N 1 3 351.494 3.235 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000157747232 496544432 /nfs/dbraw/zinc/54/44/32/496544432.db2.gz GJSFUPZABPCTQA-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953277 505853972 /nfs/dbraw/zinc/85/39/72/505853972.db2.gz OILQMCWWBMJPIC-MJGOQNOKSA-N 1 3 365.587 3.457 20 0 FGADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953277 505853974 /nfs/dbraw/zinc/85/39/74/505853974.db2.gz OILQMCWWBMJPIC-MJGOQNOKSA-N 1 3 365.587 3.457 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000578073520 505855512 /nfs/dbraw/zinc/85/55/12/505855512.db2.gz OGVMQPTTYCGFRQ-OAQYLSRUSA-N 1 3 367.537 3.334 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000578073520 505855515 /nfs/dbraw/zinc/85/55/15/505855515.db2.gz OGVMQPTTYCGFRQ-OAQYLSRUSA-N 1 3 367.537 3.334 20 0 FGADHO c1cc([C@H]2CCCN2CCOCC[N@@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000153935914 496629417 /nfs/dbraw/zinc/62/94/17/496629417.db2.gz IWFQBOOOXZWIJE-FGZHOGPDSA-N 1 3 366.509 3.467 20 0 FGADHO c1cc([C@H]2CCCN2CCOCC[N@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000153935914 496629425 /nfs/dbraw/zinc/62/94/25/496629425.db2.gz IWFQBOOOXZWIJE-FGZHOGPDSA-N 1 3 366.509 3.467 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC(C)(C)C)cc3)CC2)CC1 ZINC000176034915 496653543 /nfs/dbraw/zinc/65/35/43/496653543.db2.gz UKAWGBBOASFLCB-UHFFFAOYSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H](C)C[NH+]1CCCC1 ZINC000165318256 496654699 /nfs/dbraw/zinc/65/46/99/496654699.db2.gz UZSNQXIFYPQXLQ-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)CN1CCCC1 ZINC000165318256 496654705 /nfs/dbraw/zinc/65/47/05/496654705.db2.gz UZSNQXIFYPQXLQ-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000165318122 496654764 /nfs/dbraw/zinc/65/47/64/496654764.db2.gz UZSNQXIFYPQXLQ-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCC1 ZINC000165318122 496654767 /nfs/dbraw/zinc/65/47/67/496654767.db2.gz UZSNQXIFYPQXLQ-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO CN1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093057 496672258 /nfs/dbraw/zinc/67/22/58/496672258.db2.gz BXPHPYJJPGRYAX-QZTJIDSGSA-N 1 3 358.530 3.040 20 0 FGADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243626 496718582 /nfs/dbraw/zinc/71/85/82/496718582.db2.gz KUAWGWXVICBEBR-VQTJNVASSA-N 1 3 364.555 3.118 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000247016077 496752888 /nfs/dbraw/zinc/75/28/88/496752888.db2.gz MPFHZTOMJPLNGG-HSALFYBXSA-N 1 3 370.541 3.471 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247019997 496754136 /nfs/dbraw/zinc/75/41/36/496754136.db2.gz XWUZYHWABVZZSP-KXTWHKPSSA-N 1 3 374.573 3.125 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247019997 496754138 /nfs/dbraw/zinc/75/41/38/496754138.db2.gz XWUZYHWABVZZSP-KXTWHKPSSA-N 1 3 374.573 3.125 20 0 FGADHO COc1cccc2c1CCC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000194940134 496768412 /nfs/dbraw/zinc/76/84/12/496768412.db2.gz ZZEWLWBZFBAVCZ-IBGZPJMESA-N 1 3 355.482 3.198 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492098 496782054 /nfs/dbraw/zinc/78/20/54/496782054.db2.gz UAXKAHVWJSTFID-UZLBHIALSA-N 1 3 370.541 3.364 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492098 496782060 /nfs/dbraw/zinc/78/20/60/496782060.db2.gz UAXKAHVWJSTFID-UZLBHIALSA-N 1 3 370.541 3.364 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528159 496799487 /nfs/dbraw/zinc/79/94/87/496799487.db2.gz QSRWPCXIFNGTRU-JOCHJYFZSA-N 1 3 358.574 3.003 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528159 496799491 /nfs/dbraw/zinc/79/94/91/496799491.db2.gz QSRWPCXIFNGTRU-JOCHJYFZSA-N 1 3 358.574 3.003 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(N(C)c3ccccc3)CC2)CC1 ZINC000191542002 496804463 /nfs/dbraw/zinc/80/44/63/496804463.db2.gz BRTZFGAUUCDRMU-UHFFFAOYSA-N 1 3 358.574 3.003 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000247224421 496809587 /nfs/dbraw/zinc/80/95/87/496809587.db2.gz RMZASWFNNBIZFW-SVFBPWRDSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000247224421 496809593 /nfs/dbraw/zinc/80/95/93/496809593.db2.gz RMZASWFNNBIZFW-SVFBPWRDSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000268877555 496811996 /nfs/dbraw/zinc/81/19/96/496811996.db2.gz FBMRHNDQEUHZOW-CYBMUJFWSA-N 1 3 350.894 3.059 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134443 496830649 /nfs/dbraw/zinc/83/06/49/496830649.db2.gz GDGJNBQPUYRTAG-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134443 496830653 /nfs/dbraw/zinc/83/06/53/496830653.db2.gz GDGJNBQPUYRTAG-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268950311 496831955 /nfs/dbraw/zinc/83/19/55/496831955.db2.gz CEGQKRWSERGPQJ-CQSZACIVSA-N 1 3 371.344 3.032 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247320837 496834593 /nfs/dbraw/zinc/83/45/93/496834593.db2.gz HZWNWDRQKBWUMF-FPOVZHCZSA-N 1 3 374.573 3.413 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000247324576 496835380 /nfs/dbraw/zinc/83/53/80/496835380.db2.gz LTDOROZUKUZTET-RTBURBONSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000247324576 496835381 /nfs/dbraw/zinc/83/53/81/496835381.db2.gz LTDOROZUKUZTET-RTBURBONSA-N 1 3 372.557 3.195 20 0 FGADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195388982 496909568 /nfs/dbraw/zinc/90/95/68/496909568.db2.gz QCFFBGZHOFAYBB-OAQYLSRUSA-N 1 3 355.526 3.032 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035721 496945024 /nfs/dbraw/zinc/94/50/24/496945024.db2.gz LESCQYBXQRKXJK-HLAWJBBLSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035721 496945027 /nfs/dbraw/zinc/94/50/27/496945027.db2.gz LESCQYBXQRKXJK-HLAWJBBLSA-N 1 3 355.526 3.203 20 0 FGADHO CN(c1ccccc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1)C1CCN(C)CC1 ZINC000248388349 496990515 /nfs/dbraw/zinc/99/05/15/496990515.db2.gz DNCJQJFLWZULKL-SIKLNZKXSA-N 1 3 357.542 3.264 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000264871036 497001547 /nfs/dbraw/zinc/00/15/47/497001547.db2.gz GTBUBSFZTCCAOJ-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000189093422 497005953 /nfs/dbraw/zinc/00/59/53/497005953.db2.gz SBAUAQQWDCCCKT-QZTJIDSGSA-N 1 3 374.504 3.050 20 0 FGADHO CN(CCC(=O)NCC1(N(C)Cc2ccccc2)CCC1)c1cc[nH+]cc1 ZINC000574901193 505879358 /nfs/dbraw/zinc/87/93/58/505879358.db2.gz XABZZWVKQBFOQF-UHFFFAOYSA-N 1 3 366.509 3.079 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248566670 497042352 /nfs/dbraw/zinc/04/23/52/497042352.db2.gz OZTGZOCRVXKYMN-RTBURBONSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H](C)C1 ZINC000248566670 497042355 /nfs/dbraw/zinc/04/23/55/497042355.db2.gz OZTGZOCRVXKYMN-RTBURBONSA-N 1 3 357.542 3.278 20 0 FGADHO C(=C/C[NH+]1CCC([C@@H]2CCCO2)CC1)\CN1CCC([C@@H]2CCCO2)CC1 ZINC000189202844 497042921 /nfs/dbraw/zinc/04/29/21/497042921.db2.gz VYHCKJDPWCDPCH-HNSCLNPNSA-N 1 3 362.558 3.325 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911716 505882215 /nfs/dbraw/zinc/88/22/15/505882215.db2.gz BQZIXADYKPACGR-MJGOQNOKSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911716 505882217 /nfs/dbraw/zinc/88/22/17/505882217.db2.gz BQZIXADYKPACGR-MJGOQNOKSA-N 1 3 352.482 3.053 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723831 497089519 /nfs/dbraw/zinc/08/95/19/497089519.db2.gz UAXKAHVWJSTFID-OXJNMPFZSA-N 1 3 370.541 3.364 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723831 497089522 /nfs/dbraw/zinc/08/95/22/497089522.db2.gz UAXKAHVWJSTFID-OXJNMPFZSA-N 1 3 370.541 3.364 20 0 FGADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2n1 ZINC000189427467 497114929 /nfs/dbraw/zinc/11/49/29/497114929.db2.gz HCTFVLMIOARDNP-JOCHJYFZSA-N 1 3 361.489 3.400 20 0 FGADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2n1 ZINC000189427467 497114934 /nfs/dbraw/zinc/11/49/34/497114934.db2.gz HCTFVLMIOARDNP-JOCHJYFZSA-N 1 3 361.489 3.400 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000236801459 497147537 /nfs/dbraw/zinc/14/75/37/497147537.db2.gz LOYGTDUZIJUKSU-FGZHOGPDSA-N 1 3 359.558 3.249 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192582423 497156452 /nfs/dbraw/zinc/15/64/52/497156452.db2.gz KSKLUITWIFSOGF-XMSQKQJNSA-N 1 3 369.553 3.372 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000236885768 497162663 /nfs/dbraw/zinc/16/26/63/497162663.db2.gz HXOFIILHMCXIPM-HXUWFJFHSA-N 1 3 355.482 3.436 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236895245 497164976 /nfs/dbraw/zinc/16/49/76/497164976.db2.gz VRIZSFKEYWYDGX-TZIWHRDSSA-N 1 3 371.569 3.383 20 0 FGADHO COc1ccc(-c2ccncc2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000274793132 497167573 /nfs/dbraw/zinc/16/75/73/497167573.db2.gz MWLRTNLTCCNGSN-UHFFFAOYSA-N 1 3 369.509 3.082 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236921530 497168940 /nfs/dbraw/zinc/16/89/40/497168940.db2.gz WVKZYXFXQUMTRK-AEFFLSMTSA-N 1 3 371.447 3.075 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1Cl ZINC000236975101 497174401 /nfs/dbraw/zinc/17/44/01/497174401.db2.gz XZJPCNMRTNBIGH-JQFCIGGWSA-N 1 3 365.905 3.140 20 0 FGADHO c1c(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762634 497213198 /nfs/dbraw/zinc/21/31/98/497213198.db2.gz OSTDVJUKCHHONA-ACDBMABISA-N 1 3 368.550 3.317 20 0 FGADHO c1c(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762634 497213199 /nfs/dbraw/zinc/21/31/99/497213199.db2.gz OSTDVJUKCHHONA-ACDBMABISA-N 1 3 368.550 3.317 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000189760980 497235086 /nfs/dbraw/zinc/23/50/86/497235086.db2.gz SDUGTPCSAKQQCL-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](N)c1ccccc1 ZINC000237431323 497235148 /nfs/dbraw/zinc/23/51/48/497235148.db2.gz GSTOMNWKNIYANP-OXJNMPFZSA-N 1 3 371.550 3.412 20 0 FGADHO Brc1cncc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192921391 497247606 /nfs/dbraw/zinc/24/76/06/497247606.db2.gz WWQXTUXHWDLXKY-MRXNPFEDSA-N 1 3 360.299 3.456 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000189948773 497303127 /nfs/dbraw/zinc/30/31/27/497303127.db2.gz CFVPSUGJPMOERF-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO CNC(=O)c1cccc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000189957509 497306069 /nfs/dbraw/zinc/30/60/69/497306069.db2.gz FUTGDMOFPUQDKP-QZTJIDSGSA-N 1 3 365.521 3.292 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237926463 497314884 /nfs/dbraw/zinc/31/48/84/497314884.db2.gz AGANJRYKJXTELD-NHCUHLMSSA-N 1 3 351.494 3.247 20 0 FGADHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000255319623 497364062 /nfs/dbraw/zinc/36/40/62/497364062.db2.gz ZKUQZIOQKGWPEZ-SDXDJHTJSA-N 1 3 351.494 3.171 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000275845505 497444866 /nfs/dbraw/zinc/44/48/66/497444866.db2.gz KCURCLRCEAMYQY-CTNGQTDRSA-N 1 3 355.530 3.428 20 0 FGADHO C[C@]1(C[NH3+])CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896486 497471010 /nfs/dbraw/zinc/47/10/10/497471010.db2.gz WAUHOHJTQXLOCT-VQTJNVASSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@]1(CN)CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896486 497471015 /nfs/dbraw/zinc/47/10/15/497471015.db2.gz WAUHOHJTQXLOCT-VQTJNVASSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896486 497471019 /nfs/dbraw/zinc/47/10/19/497471019.db2.gz WAUHOHJTQXLOCT-VQTJNVASSA-N 1 3 357.523 3.015 20 0 FGADHO CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261987050 497488035 /nfs/dbraw/zinc/48/80/35/497488035.db2.gz XMFMUNOFAGGYKW-HOJAQTOUSA-N 1 3 355.526 3.060 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670572 497495825 /nfs/dbraw/zinc/49/58/25/497495825.db2.gz HHEFVXZJJJAXOS-KJJMTIBFSA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670572 497495829 /nfs/dbraw/zinc/49/58/29/497495829.db2.gz HHEFVXZJJJAXOS-KJJMTIBFSA-N 1 3 362.521 3.446 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974394 497537024 /nfs/dbraw/zinc/53/70/24/497537024.db2.gz QYKUXPURLVUXOS-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000245806228 497543526 /nfs/dbraw/zinc/54/35/26/497543526.db2.gz METSPRBWRLLYNA-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000245806228 497543527 /nfs/dbraw/zinc/54/35/27/497543527.db2.gz METSPRBWRLLYNA-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272137035 497545364 /nfs/dbraw/zinc/54/53/64/497545364.db2.gz ARHWQELWLHQUOI-LAUBAEHRSA-N 1 3 351.494 3.046 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394112 497549434 /nfs/dbraw/zinc/54/94/34/497549434.db2.gz ZCJKYPOTVTUFPH-LKRQXQHHSA-N 1 3 355.526 3.092 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126895 505916155 /nfs/dbraw/zinc/91/61/55/505916155.db2.gz FICFYIWAAPHXKR-UIFIKXQLSA-N 1 3 354.494 3.166 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126895 505916156 /nfs/dbraw/zinc/91/61/56/505916156.db2.gz FICFYIWAAPHXKR-UIFIKXQLSA-N 1 3 354.494 3.166 20 0 FGADHO C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300463 497589851 /nfs/dbraw/zinc/58/98/51/497589851.db2.gz PRNBJGDBXCQMQH-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300463 497589855 /nfs/dbraw/zinc/58/98/55/497589855.db2.gz PRNBJGDBXCQMQH-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000262649653 497590863 /nfs/dbraw/zinc/59/08/63/497590863.db2.gz QERQZIWDJLMTIF-LQWHRVPQSA-N 1 3 353.510 3.349 20 0 FGADHO C[C@H](CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000262649653 497590867 /nfs/dbraw/zinc/59/08/67/497590867.db2.gz QERQZIWDJLMTIF-LQWHRVPQSA-N 1 3 353.510 3.349 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000262659992 497594197 /nfs/dbraw/zinc/59/41/97/497594197.db2.gz FTAQLOHHQOOXHO-UTKZUKDTSA-N 1 3 353.510 3.479 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000262659992 497594200 /nfs/dbraw/zinc/59/42/00/497594200.db2.gz FTAQLOHHQOOXHO-UTKZUKDTSA-N 1 3 353.510 3.479 20 0 FGADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(CN(C)C)cc1 ZINC000267764933 497613349 /nfs/dbraw/zinc/61/33/49/497613349.db2.gz UIOYVAZNBCEXRE-UHFFFAOYSA-N 1 3 373.463 3.485 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(CC)CC)cc1 ZINC000572223218 505918394 /nfs/dbraw/zinc/91/83/94/505918394.db2.gz IOGBCBGPCPNKME-PZJWPPBQSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000572223218 505918396 /nfs/dbraw/zinc/91/83/96/505918396.db2.gz IOGBCBGPCPNKME-PZJWPPBQSA-N 1 3 374.573 3.273 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146820 497636933 /nfs/dbraw/zinc/63/69/33/497636933.db2.gz JZCRVDMBUVNADG-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000268037486 497664741 /nfs/dbraw/zinc/66/47/41/497664741.db2.gz WWEYGNBJGSQPCN-XLIONFOSSA-N 1 3 360.546 3.010 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272586056 497671068 /nfs/dbraw/zinc/67/10/68/497671068.db2.gz WSBJXCRWSOTLPH-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CCN(C)CC1 ZINC000272721689 497712021 /nfs/dbraw/zinc/71/20/21/497712021.db2.gz JFJFWRQYMBPSJD-SJORKVTESA-N 1 3 358.530 3.065 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719372 /nfs/dbraw/zinc/71/93/72/497719372.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719374 /nfs/dbraw/zinc/71/93/74/497719374.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 1 3 372.557 3.021 20 0 FGADHO CCCCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268418557 497745101 /nfs/dbraw/zinc/74/51/01/497745101.db2.gz KUHYWBVNSYZKRK-UHFFFAOYSA-N 1 3 364.530 3.199 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000246500491 497754370 /nfs/dbraw/zinc/75/43/70/497754370.db2.gz TZELNWWDHFQUAI-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000246500491 497754376 /nfs/dbraw/zinc/75/43/76/497754376.db2.gz TZELNWWDHFQUAI-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263310249 497755212 /nfs/dbraw/zinc/75/52/12/497755212.db2.gz YLRXVWMQYKYJJI-QUCCMNQESA-N 1 3 361.555 3.124 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626169 497790993 /nfs/dbraw/zinc/79/09/93/497790993.db2.gz UVTRNGCKCLXNOJ-OXJNMPFZSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626169 497790995 /nfs/dbraw/zinc/79/09/95/497790995.db2.gz UVTRNGCKCLXNOJ-OXJNMPFZSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246856738 497817108 /nfs/dbraw/zinc/81/71/08/497817108.db2.gz BSYUOYSJBOMWBN-CEXWTWQISA-N 1 3 373.541 3.353 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470372 505946988 /nfs/dbraw/zinc/94/69/88/505946988.db2.gz BVCKQKHOJLCFPA-QFIPXVFZSA-N 1 3 369.557 3.029 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470372 505946991 /nfs/dbraw/zinc/94/69/91/505946991.db2.gz BVCKQKHOJLCFPA-QFIPXVFZSA-N 1 3 369.557 3.029 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868230 497929269 /nfs/dbraw/zinc/92/92/69/497929269.db2.gz NONOYGBGTXAUGL-HSZRJFAPSA-N 1 3 364.537 3.460 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3CN)ccc21 ZINC000575311803 505958408 /nfs/dbraw/zinc/95/84/08/505958408.db2.gz YTMMPQFEVMUZQT-SFTDATJTSA-N 1 3 364.493 3.326 20 0 FGADHO C[C@@H]1CN(CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319210 505960635 /nfs/dbraw/zinc/96/06/35/505960635.db2.gz MAXGZFSQNAWQEM-WSTZPKSXSA-N 1 3 367.578 3.070 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281424318 498145366 /nfs/dbraw/zinc/14/53/66/498145366.db2.gz BXYQMXXQISXRQW-FCHUYYIVSA-N 1 3 369.484 3.418 20 0 FGADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281424318 498145374 /nfs/dbraw/zinc/14/53/74/498145374.db2.gz BXYQMXXQISXRQW-FCHUYYIVSA-N 1 3 369.484 3.418 20 0 FGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285804617 498205442 /nfs/dbraw/zinc/20/54/42/498205442.db2.gz VLUXNPOTLZPSIW-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c(OCCN(C)C)c1 ZINC000285822607 498211612 /nfs/dbraw/zinc/21/16/12/498211612.db2.gz TZOKOMSTWNGDIQ-HLVUACMISA-N 1 3 359.514 3.028 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000296905707 498245176 /nfs/dbraw/zinc/24/51/76/498245176.db2.gz DTCHWKAUINEFCT-HQSKLWIPSA-N 1 3 364.559 3.055 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000296905707 498245184 /nfs/dbraw/zinc/24/51/84/498245184.db2.gz DTCHWKAUINEFCT-HQSKLWIPSA-N 1 3 364.559 3.055 20 0 FGADHO COC[C@@]1(C)CCN(Cc2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915528 498249886 /nfs/dbraw/zinc/24/98/86/498249886.db2.gz WMSMEDNKZVBMNH-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@]1(C)CCN(Cc2ccccc2C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915528 498249890 /nfs/dbraw/zinc/24/98/90/498249890.db2.gz WMSMEDNKZVBMNH-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000296966950 498270593 /nfs/dbraw/zinc/27/05/93/498270593.db2.gz IHGCKVMUIPQUMF-VTHDOGFWSA-N 1 3 370.541 3.056 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000296966950 498270601 /nfs/dbraw/zinc/27/06/01/498270601.db2.gz IHGCKVMUIPQUMF-VTHDOGFWSA-N 1 3 370.541 3.056 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286125348 498299831 /nfs/dbraw/zinc/29/98/31/498299831.db2.gz GXZUVAJFSFPRJS-XYPWUTKMSA-N 1 3 355.482 3.192 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286125348 498299836 /nfs/dbraw/zinc/29/98/36/498299836.db2.gz GXZUVAJFSFPRJS-XYPWUTKMSA-N 1 3 355.482 3.192 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756746 506014029 /nfs/dbraw/zinc/01/40/29/506014029.db2.gz JOIHBIUTEGSDBB-YLJYHZDGSA-N 1 3 354.498 3.023 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756745 506014415 /nfs/dbraw/zinc/01/44/15/506014415.db2.gz JOIHBIUTEGSDBB-XLIONFOSSA-N 1 3 354.498 3.023 20 0 FGADHO C[N@@H+]1CCC[C@H](N2CCN(CCCc3cccc4ccccc43)CC2)C1 ZINC000360960015 498327441 /nfs/dbraw/zinc/32/74/41/498327441.db2.gz OELVRYVWANPRMH-QFIPXVFZSA-N 1 3 351.538 3.484 20 0 FGADHO C[N@H+]1CCC[C@H](N2CCN(CCCc3cccc4ccccc43)CC2)C1 ZINC000360960015 498327443 /nfs/dbraw/zinc/32/74/43/498327443.db2.gz OELVRYVWANPRMH-QFIPXVFZSA-N 1 3 351.538 3.484 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969638 498375785 /nfs/dbraw/zinc/37/57/85/498375785.db2.gz XJFKWRVNLWFSNH-QLFBSQMISA-N 1 3 370.335 3.384 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978542 498379470 /nfs/dbraw/zinc/37/94/70/498379470.db2.gz XSCVIMFWVTXIRP-NUJGCVRESA-N 1 3 350.503 3.188 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297344667 498413674 /nfs/dbraw/zinc/41/36/74/498413674.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297344667 498413680 /nfs/dbraw/zinc/41/36/80/498413680.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463238 /nfs/dbraw/zinc/46/32/38/498463238.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 1 3 350.503 3.136 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463242 /nfs/dbraw/zinc/46/32/42/498463242.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 1 3 350.503 3.136 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463251 /nfs/dbraw/zinc/46/32/51/498463251.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 1 3 350.503 3.136 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463259 /nfs/dbraw/zinc/46/32/59/498463259.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 1 3 350.503 3.136 20 0 FGADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)s2)cn1 ZINC000282359677 498479975 /nfs/dbraw/zinc/47/99/75/498479975.db2.gz XINMYBYQIWKGIZ-RBUKOAKNSA-N 1 3 374.554 3.006 20 0 FGADHO COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297585708 498501801 /nfs/dbraw/zinc/50/18/01/498501801.db2.gz ITUWBDGXRUTCGZ-KKSFZXQISA-N 1 3 355.482 3.425 20 0 FGADHO CC[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921156 506051715 /nfs/dbraw/zinc/05/17/15/506051715.db2.gz LMIBHEJEMUNLNW-RXVVDRJESA-N 1 3 357.542 3.339 20 0 FGADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773659 506065559 /nfs/dbraw/zinc/06/55/59/506065559.db2.gz KHRQQBAQOLAIOJ-QGZVFWFLSA-N 1 3 371.872 3.487 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061322 498644352 /nfs/dbraw/zinc/64/43/52/498644352.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061322 498644359 /nfs/dbraw/zinc/64/43/59/498644359.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 1 3 357.542 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127989 498649831 /nfs/dbraw/zinc/64/98/31/498649831.db2.gz OPFBZTYZEFLLIO-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127989 498649835 /nfs/dbraw/zinc/64/98/35/498649835.db2.gz OPFBZTYZEFLLIO-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572857716 506069557 /nfs/dbraw/zinc/06/95/57/506069557.db2.gz ROTQSHMIRFKFOI-ICSRJNTNSA-N 1 3 360.546 3.069 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868545 506071134 /nfs/dbraw/zinc/07/11/34/506071134.db2.gz FZDPZORWSNBGCA-ZWNOBZJWSA-N 1 3 350.816 3.273 20 0 FGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868545 506071137 /nfs/dbraw/zinc/07/11/37/506071137.db2.gz FZDPZORWSNBGCA-ZWNOBZJWSA-N 1 3 350.816 3.273 20 0 FGADHO Cc1noc(C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2)n1 ZINC000298148229 498677144 /nfs/dbraw/zinc/67/71/44/498677144.db2.gz RGTCZNKXWUHQOC-FQEVSTJZSA-N 1 3 363.465 3.315 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366088528 498769170 /nfs/dbraw/zinc/76/91/70/498769170.db2.gz JJUWAWXORPHFQK-HKUYNNGSSA-N 1 3 356.514 3.177 20 0 FGADHO CCCCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298466057 498780051 /nfs/dbraw/zinc/78/00/51/498780051.db2.gz OPIUVEWJUXUVQW-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO Cn1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)c(C(F)F)n1 ZINC000291130670 498808624 /nfs/dbraw/zinc/80/86/24/498808624.db2.gz DWGQNXLSECEICV-UHFFFAOYSA-N 1 3 354.470 3.421 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936321 498832503 /nfs/dbraw/zinc/83/25/03/498832503.db2.gz YZPVOVASBRWFEN-PBHICJAKSA-N 1 3 356.507 3.144 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccn3)C(C)C)CC2)CC1 ZINC000573017476 506099853 /nfs/dbraw/zinc/09/98/53/506099853.db2.gz GRVXJYOUSFSGLQ-UHFFFAOYSA-N 1 3 372.557 3.015 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366345460 498883964 /nfs/dbraw/zinc/88/39/64/498883964.db2.gz IYONORBJDARNKM-HNAYVOBHSA-N 1 3 357.523 3.165 20 0 FGADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000287889620 498893675 /nfs/dbraw/zinc/89/36/75/498893675.db2.gz YYDUVTNHRIZBKG-BZSNNMDCSA-N 1 3 356.432 3.251 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288221505 498970314 /nfs/dbraw/zinc/97/03/14/498970314.db2.gz SBNWZRXGXVLEPQ-CMKODMSKSA-N 1 3 360.546 3.051 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288221505 498970322 /nfs/dbraw/zinc/97/03/22/498970322.db2.gz SBNWZRXGXVLEPQ-CMKODMSKSA-N 1 3 360.546 3.051 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057829 506123847 /nfs/dbraw/zinc/12/38/47/506123847.db2.gz GWRLTRLUVQPFIM-OXQOHEQNSA-N 1 3 372.538 3.453 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057829 506123852 /nfs/dbraw/zinc/12/38/52/506123852.db2.gz GWRLTRLUVQPFIM-OXQOHEQNSA-N 1 3 372.538 3.453 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000288324209 498994974 /nfs/dbraw/zinc/99/49/74/498994974.db2.gz YBGGUFKUBGBUDU-HNJRGHQBSA-N 1 3 360.546 3.050 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000288324209 498994981 /nfs/dbraw/zinc/99/49/81/498994981.db2.gz YBGGUFKUBGBUDU-HNJRGHQBSA-N 1 3 360.546 3.050 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662492 499022902 /nfs/dbraw/zinc/02/29/02/499022902.db2.gz FTPDBBKYUFDXHE-RMVXJAJNSA-N 1 3 361.574 3.410 20 0 FGADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122181 499119162 /nfs/dbraw/zinc/11/91/62/499119162.db2.gz AYDOETGCYIEAEH-YLJYHZDGSA-N 1 3 364.578 3.013 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000364127309 499120304 /nfs/dbraw/zinc/12/03/04/499120304.db2.gz DATUZIIKXQTYMO-LNXHZJMOSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372773570 499173553 /nfs/dbraw/zinc/17/35/53/499173553.db2.gz UJUHWJFSILQXBH-NRFANRHFSA-N 1 3 363.590 3.359 20 0 FGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000372817511 499179735 /nfs/dbraw/zinc/17/97/35/499179735.db2.gz ZUELANYZMRYUHW-NRFANRHFSA-N 1 3 364.493 3.183 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000367472502 499203195 /nfs/dbraw/zinc/20/31/95/499203195.db2.gz NJQOJDCSZFEBCJ-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000367522313 499208778 /nfs/dbraw/zinc/20/87/78/499208778.db2.gz DSUPHQRHODLIJH-OPQOLIRYSA-N 1 3 351.535 3.286 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226251 /nfs/dbraw/zinc/22/62/51/499226251.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226252 /nfs/dbraw/zinc/22/62/52/499226252.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226254 /nfs/dbraw/zinc/22/62/54/499226254.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226256 /nfs/dbraw/zinc/22/62/56/499226256.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 1 3 351.535 3.050 20 0 FGADHO CC(=O)Nc1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000367898849 499243247 /nfs/dbraw/zinc/24/32/47/499243247.db2.gz BFUMCLNUUIWMKY-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO CC(=O)Nc1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000367898849 499243248 /nfs/dbraw/zinc/24/32/48/499243248.db2.gz BFUMCLNUUIWMKY-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO CC(C)COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709516 499246520 /nfs/dbraw/zinc/24/65/20/499246520.db2.gz RMRDSXFOKMTICU-DENIHFKCSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709516 499246522 /nfs/dbraw/zinc/24/65/22/499246522.db2.gz RMRDSXFOKMTICU-DENIHFKCSA-N 1 3 359.558 3.179 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250118 /nfs/dbraw/zinc/25/01/18/499250118.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 1 3 373.504 3.426 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250120 /nfs/dbraw/zinc/25/01/20/499250120.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 1 3 373.504 3.426 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000368354032 499288204 /nfs/dbraw/zinc/28/82/04/499288204.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 1 3 363.546 3.240 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000368354032 499288205 /nfs/dbraw/zinc/28/82/05/499288205.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 1 3 363.546 3.240 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316551 499309449 /nfs/dbraw/zinc/30/94/49/499309449.db2.gz GMJXQVUDOOEPIT-LORHWOILSA-N 1 3 350.478 3.374 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316551 499309450 /nfs/dbraw/zinc/30/94/50/499309450.db2.gz GMJXQVUDOOEPIT-LORHWOILSA-N 1 3 350.478 3.374 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199286 506141854 /nfs/dbraw/zinc/14/18/54/506141854.db2.gz SCQGGGNTUOKMSV-QKLQHJQFSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199286 506141856 /nfs/dbraw/zinc/14/18/56/506141856.db2.gz SCQGGGNTUOKMSV-QKLQHJQFSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199286 506141860 /nfs/dbraw/zinc/14/18/60/506141860.db2.gz SCQGGGNTUOKMSV-QKLQHJQFSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744012 499327698 /nfs/dbraw/zinc/32/76/98/499327698.db2.gz XGAWVZPGECJMBM-HBMCJLEFSA-N 1 3 372.557 3.043 20 0 FGADHO COC1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355804 /nfs/dbraw/zinc/35/58/04/499355804.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 1 3 358.526 3.169 20 0 FGADHO COC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355806 /nfs/dbraw/zinc/35/58/06/499355806.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 1 3 358.526 3.169 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510725 499525956 /nfs/dbraw/zinc/52/59/56/499525956.db2.gz INNAKQAZBCWEFN-HNAYVOBHSA-N 1 3 356.514 3.468 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000378568177 499532651 /nfs/dbraw/zinc/53/26/51/499532651.db2.gz JPTBJWKXWJLKLR-SJORKVTESA-N 1 3 359.514 3.127 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654832 499542653 /nfs/dbraw/zinc/54/26/53/499542653.db2.gz KCESAEXKOSOUFG-UIFIKXQLSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654832 499542655 /nfs/dbraw/zinc/54/26/55/499542655.db2.gz KCESAEXKOSOUFG-UIFIKXQLSA-N 1 3 372.484 3.208 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COCc1ccccc1 ZINC000573237103 506149946 /nfs/dbraw/zinc/14/99/46/506149946.db2.gz YAMRZEBDAMZXRU-HXUWFJFHSA-N 1 3 374.550 3.127 20 0 FGADHO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495053 499563811 /nfs/dbraw/zinc/56/38/11/499563811.db2.gz APHDYODDFSOMGY-LJQANCHMSA-N 1 3 368.521 3.330 20 0 FGADHO COc1cccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397498408 499564193 /nfs/dbraw/zinc/56/41/93/499564193.db2.gz SPEWEANYRKYTSY-SFHVURJKSA-N 1 3 354.494 3.373 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1 ZINC000409701365 499616007 /nfs/dbraw/zinc/61/60/07/499616007.db2.gz ZNFVHCQPHUDEMV-UHFFFAOYSA-N 1 3 367.537 3.385 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355891 499657303 /nfs/dbraw/zinc/65/73/03/499657303.db2.gz AGZHTSJZLAOOGU-MSOLQXFVSA-N 1 3 359.514 3.405 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355891 499657305 /nfs/dbraw/zinc/65/73/05/499657305.db2.gz AGZHTSJZLAOOGU-MSOLQXFVSA-N 1 3 359.514 3.405 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000377127168 499664490 /nfs/dbraw/zinc/66/44/90/499664490.db2.gz LZAGHTYODVPIHW-JRGCBEDISA-N 1 3 361.574 3.268 20 0 FGADHO CCCNC(=O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411139899 499702018 /nfs/dbraw/zinc/70/20/18/499702018.db2.gz YTJWNCHEJXPBRO-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617290 499710924 /nfs/dbraw/zinc/71/09/24/499710924.db2.gz AJNNIDHAXVMRSC-XLIONFOSSA-N 1 3 356.466 3.192 20 0 FGADHO Cc1ccc2cc(CN(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)ccc2n1 ZINC000377621143 499711402 /nfs/dbraw/zinc/71/14/02/499711402.db2.gz AWXZBJKMFFMPMA-OAQYLSRUSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1ccc2cc(CN(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)ccc2n1 ZINC000377621143 499711404 /nfs/dbraw/zinc/71/14/04/499711404.db2.gz AWXZBJKMFFMPMA-OAQYLSRUSA-N 1 3 352.526 3.144 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)CC1 ZINC000411476181 499745496 /nfs/dbraw/zinc/74/54/96/499745496.db2.gz GNBUVXYDGPGUSX-ADLFWFRXSA-N 1 3 363.933 3.227 20 0 FGADHO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000414173544 499765383 /nfs/dbraw/zinc/76/53/83/499765383.db2.gz FUJWWUKDXCXMOI-LPHOPBHVSA-N 1 3 354.494 3.454 20 0 FGADHO CC(C)CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000414179280 499766118 /nfs/dbraw/zinc/76/61/18/499766118.db2.gz AGBRJCVPVKOLSN-IBGZPJMESA-N 1 3 353.595 3.224 20 0 FGADHO CCc1cccnc1[C@@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311774 499776511 /nfs/dbraw/zinc/77/65/11/499776511.db2.gz VIXKQUUOIYNHNT-GOSISDBHSA-N 1 3 353.510 3.322 20 0 FGADHO COc1ccccc1/C=C\C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414557017 499808506 /nfs/dbraw/zinc/80/85/06/499808506.db2.gz ZHWCMCWDOHIRDG-XFFZJAGNSA-N 1 3 366.505 3.325 20 0 FGADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741561 499825583 /nfs/dbraw/zinc/82/55/83/499825583.db2.gz RZSJIGLSIXPIDI-OLZOCXBDSA-N 1 3 357.420 3.143 20 0 FGADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414802490 499832765 /nfs/dbraw/zinc/83/27/65/499832765.db2.gz BRLFQFBGUHYUAC-LBPRGKRZSA-N 1 3 356.308 3.273 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000414803726 499832995 /nfs/dbraw/zinc/83/29/95/499832995.db2.gz NXANANCWLUSOMM-UKRRQHHQSA-N 1 3 369.303 3.218 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850896 499837864 /nfs/dbraw/zinc/83/78/64/499837864.db2.gz IREDPESJBRLSEM-MCIONIFRSA-N 1 3 373.419 3.280 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCCNC1 ZINC000414853533 499838329 /nfs/dbraw/zinc/83/83/29/499838329.db2.gz KXJXGLVECOPKPH-HUUCEWRRSA-N 1 3 353.913 3.421 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920470 499844551 /nfs/dbraw/zinc/84/45/51/499844551.db2.gz ZLVKSOANFHAATL-DNVCBOLYSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920470 499844553 /nfs/dbraw/zinc/84/45/53/499844553.db2.gz ZLVKSOANFHAATL-DNVCBOLYSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415072083 499861026 /nfs/dbraw/zinc/86/10/26/499861026.db2.gz XOGDGKCMLTUMOP-MLGOLLRUSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077705 499861098 /nfs/dbraw/zinc/86/10/98/499861098.db2.gz HWPKJANFUIFPRC-FUHWJXTLSA-N 1 3 361.505 3.331 20 0 FGADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415132412 499868254 /nfs/dbraw/zinc/86/82/54/499868254.db2.gz UDQXLISFJQLAJB-GHTZIAJQSA-N 1 3 362.514 3.202 20 0 FGADHO Cc1cccc(COc2c(C)cc(CN3CCC(O)(C[NH3+])CC3)cc2C)c1 ZINC000415136232 499868763 /nfs/dbraw/zinc/86/87/63/499868763.db2.gz CLENTYJNUWGXGZ-UHFFFAOYSA-N 1 3 368.521 3.476 20 0 FGADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312824 499885729 /nfs/dbraw/zinc/88/57/29/499885729.db2.gz UGFKQQQZBGMYNJ-GOSISDBHSA-N 1 3 362.518 3.046 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH2+]C)N(C)C)cc1 ZINC000415894981 499925210 /nfs/dbraw/zinc/92/52/10/499925210.db2.gz ATVBUASCTPTLMM-FQEVSTJZSA-N 1 3 354.498 3.393 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)c1 ZINC000415926732 499929378 /nfs/dbraw/zinc/92/93/78/499929378.db2.gz BZNTTWSUQLFQHA-HXUWFJFHSA-N 1 3 354.498 3.091 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000415933265 499930278 /nfs/dbraw/zinc/93/02/78/499930278.db2.gz NVOZHVBHNMZWFP-HXUWFJFHSA-N 1 3 354.498 3.091 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960583 499933689 /nfs/dbraw/zinc/93/36/89/499933689.db2.gz QIIHHJOFAVGVIL-XJKSGUPXSA-N 1 3 370.419 3.112 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960583 499933692 /nfs/dbraw/zinc/93/36/92/499933692.db2.gz QIIHHJOFAVGVIL-XJKSGUPXSA-N 1 3 370.419 3.112 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415960921 499933981 /nfs/dbraw/zinc/93/39/81/499933981.db2.gz CNUKUPZGGQMBFZ-WBMJQRKESA-N 1 3 370.419 3.255 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983023 499937185 /nfs/dbraw/zinc/93/71/85/499937185.db2.gz YMNWPLWXCONFED-UHFFFAOYSA-N 1 3 362.424 3.019 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415981475 499937235 /nfs/dbraw/zinc/93/72/35/499937235.db2.gz JIQGKEBPTSVXIM-HXUWFJFHSA-N 1 3 352.482 3.144 20 0 FGADHO CN(CCCN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C)Cc1ccco1 ZINC000416231251 499988766 /nfs/dbraw/zinc/98/87/66/499988766.db2.gz AZOPOPNFJHSFQI-HXUWFJFHSA-N 1 3 357.498 3.253 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208610 500005616 /nfs/dbraw/zinc/00/56/16/500005616.db2.gz BESBSOVHTODFLI-TZIWHRDSSA-N 1 3 372.557 3.149 20 0 FGADHO COc1cc(Br)c(CNC2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000421379253 500032328 /nfs/dbraw/zinc/03/23/28/500032328.db2.gz XANBYFVZPDIKGW-UHFFFAOYSA-N 1 3 371.319 3.429 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000417315277 500037394 /nfs/dbraw/zinc/03/73/94/500037394.db2.gz SAFYZMDGQYRASZ-SFTDATJTSA-N 1 3 368.525 3.377 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417392927 500058733 /nfs/dbraw/zinc/05/87/33/500058733.db2.gz NWSGBZFDPMQBRU-FQEVSTJZSA-N 1 3 360.546 3.374 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429412910 500073283 /nfs/dbraw/zinc/07/32/83/500073283.db2.gz QUDVBVQKZQWTJY-INIZCTEOSA-N 1 3 369.347 3.064 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000416833157 500133180 /nfs/dbraw/zinc/13/31/80/500133180.db2.gz CHAPZMJYVDNDPZ-RTWAWAEBSA-N 1 3 372.557 3.025 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000414065630 500143314 /nfs/dbraw/zinc/14/33/14/500143314.db2.gz GFHLXSLBXDIQPR-NQIIRXRSSA-N 1 3 353.510 3.175 20 0 FGADHO CN(CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874313 500144486 /nfs/dbraw/zinc/14/44/86/500144486.db2.gz PIERSMKDQORVGZ-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675613 500146075 /nfs/dbraw/zinc/14/60/75/500146075.db2.gz CDTOVFIJIQTUEU-MHJFOBGBSA-N 1 3 372.557 3.029 20 0 FGADHO N[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000416899940 500150782 /nfs/dbraw/zinc/15/07/82/500150782.db2.gz HKIPIJLKUMGZDN-NRFANRHFSA-N 1 3 366.509 3.172 20 0 FGADHO COC1([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000421863008 500165808 /nfs/dbraw/zinc/16/58/08/500165808.db2.gz WXQFOLQFALQPCT-LJQANCHMSA-N 1 3 360.542 3.341 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000416964448 500168175 /nfs/dbraw/zinc/16/81/75/500168175.db2.gz SKDXGAFXXOGDMO-HXUWFJFHSA-N 1 3 366.509 3.048 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000417827168 500179665 /nfs/dbraw/zinc/17/96/65/500179665.db2.gz CWIYCZHVDJVQBV-IEBWSBKVSA-N 1 3 358.530 3.000 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417843635 500182422 /nfs/dbraw/zinc/18/24/22/500182422.db2.gz QVEGVOIPQSECDR-MISYRCLQSA-N 1 3 360.546 3.054 20 0 FGADHO C[C@H](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997864 500211809 /nfs/dbraw/zinc/21/18/09/500211809.db2.gz GMWMLGFKXSBNMT-DYESRHJHSA-N 1 3 368.525 3.403 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000422186674 500229624 /nfs/dbraw/zinc/22/96/24/500229624.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000422186674 500229626 /nfs/dbraw/zinc/22/96/26/500229626.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154266 500238931 /nfs/dbraw/zinc/23/89/31/500238931.db2.gz JMVSLZZKZNFCOJ-UXHICEINSA-N 1 3 372.557 3.119 20 0 FGADHO CCCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC[NH2+]CC1 ZINC000418162182 500240051 /nfs/dbraw/zinc/24/00/51/500240051.db2.gz CGCSIVMQPSCXEZ-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174862 500242882 /nfs/dbraw/zinc/24/28/82/500242882.db2.gz FHIUSKUVSNDGET-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000418216916 500250746 /nfs/dbraw/zinc/25/07/46/500250746.db2.gz LYLOXUWPHPAUMJ-HXUWFJFHSA-N 1 3 360.546 3.375 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317795 500260950 /nfs/dbraw/zinc/26/09/50/500260950.db2.gz BCXFPYDJLBEMDZ-WIYYLYMNSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317795 500260952 /nfs/dbraw/zinc/26/09/52/500260952.db2.gz BCXFPYDJLBEMDZ-WIYYLYMNSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000418345516 500266043 /nfs/dbraw/zinc/26/60/43/500266043.db2.gz HIRLBFSNCUSQEO-PWIZWCRZSA-N 1 3 358.530 3.078 20 0 FGADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418356150 500267831 /nfs/dbraw/zinc/26/78/31/500267831.db2.gz XLHQOSQMYAYQNF-UKAVVXHISA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418422200 500274449 /nfs/dbraw/zinc/27/44/49/500274449.db2.gz COOYPFCVOZWEBV-RBBKRZOGSA-N 1 3 372.557 3.058 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000422566747 500275422 /nfs/dbraw/zinc/27/54/22/500275422.db2.gz TWAIGFXGRKBXJO-UHFFFAOYSA-N 1 3 358.408 3.158 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418481479 500282289 /nfs/dbraw/zinc/28/22/89/500282289.db2.gz CTPQVGTWYFIKQJ-FQEVSTJZSA-N 1 3 356.514 3.213 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704685 500287997 /nfs/dbraw/zinc/28/79/97/500287997.db2.gz QFZSTNJQOSLAFP-GCJKJVERSA-N 1 3 351.538 3.371 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704685 500287998 /nfs/dbraw/zinc/28/79/98/500287998.db2.gz QFZSTNJQOSLAFP-GCJKJVERSA-N 1 3 351.538 3.371 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711479 500288542 /nfs/dbraw/zinc/28/85/42/500288542.db2.gz MSMIXQCURJUGGK-OFQRWUPVSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422711479 500288543 /nfs/dbraw/zinc/28/85/43/500288543.db2.gz MSMIXQCURJUGGK-OFQRWUPVSA-N 1 3 352.320 3.135 20 0 FGADHO COc1cccc(OC)c1Oc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422725859 500290023 /nfs/dbraw/zinc/29/00/23/500290023.db2.gz YUIKBXGQQIMWBB-IAGOWNOFSA-N 1 3 371.481 3.498 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422723362 500290188 /nfs/dbraw/zinc/29/01/88/500290188.db2.gz RDGZNPHJWJSISR-HNNXBMFYSA-N 1 3 356.489 3.303 20 0 FGADHO CSc1nnc(CCCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727300 500290558 /nfs/dbraw/zinc/29/05/58/500290558.db2.gz HCTPAYBFMLRYDF-DLBZAZTESA-N 1 3 367.607 3.489 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550150 500290640 /nfs/dbraw/zinc/29/06/40/500290640.db2.gz TUSBAQNTXQMWRW-UZKOGDIHSA-N 1 3 372.557 3.071 20 0 FGADHO CSc1nnc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725982 500291071 /nfs/dbraw/zinc/29/10/71/500291071.db2.gz CWYNTAVMMQYAKV-IRXDYDNUSA-N 1 3 359.543 3.323 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742868 500292791 /nfs/dbraw/zinc/29/27/91/500292791.db2.gz SKZZWDLPEIQQAC-JQFCIGGWSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cccc(Br)c2)CCC1 ZINC000422742868 500292794 /nfs/dbraw/zinc/29/27/94/500292794.db2.gz SKZZWDLPEIQQAC-JQFCIGGWSA-N 1 3 367.331 3.213 20 0 FGADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418634168 500298633 /nfs/dbraw/zinc/29/86/33/500298633.db2.gz DVGHZSLXOQSBST-WIYYLYMNSA-N 1 3 370.541 3.163 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797247 500298717 /nfs/dbraw/zinc/29/87/17/500298717.db2.gz LRMNXLHUQGUPOQ-NBQZKYEYSA-N 1 3 364.892 3.178 20 0 FGADHO CN(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820796 500302058 /nfs/dbraw/zinc/30/20/58/500302058.db2.gz SGCMLGKSARARIX-IRLDBZIGSA-N 1 3 369.484 3.103 20 0 FGADHO COc1ccccc1N1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422838976 500304086 /nfs/dbraw/zinc/30/40/86/500304086.db2.gz PILAVEVWTHJRTG-XLIONFOSSA-N 1 3 353.510 3.212 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000430910740 500306022 /nfs/dbraw/zinc/30/60/22/500306022.db2.gz XJHOCHLDPSYLMW-CWJKEVGVSA-N 1 3 357.542 3.453 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918545 500306632 /nfs/dbraw/zinc/30/66/32/500306632.db2.gz HTWNFEDQQWBXAO-IAGOWNOFSA-N 1 3 357.542 3.063 20 0 FGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875701 500308946 /nfs/dbraw/zinc/30/89/46/500308946.db2.gz CWTIKAVQRXCPJR-KGLIPLIRSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875701 500308948 /nfs/dbraw/zinc/30/89/48/500308948.db2.gz CWTIKAVQRXCPJR-KGLIPLIRSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878595 500309584 /nfs/dbraw/zinc/30/95/84/500309584.db2.gz JIMRNPWBTBFSKS-PBHICJAKSA-N 1 3 371.447 3.476 20 0 FGADHO C[C@H](CCC[NH3+])N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885033 500310647 /nfs/dbraw/zinc/31/06/47/500310647.db2.gz SZRKGPVNCQUQHX-CJNGLKHVSA-N 1 3 357.420 3.086 20 0 FGADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891659 500311718 /nfs/dbraw/zinc/31/17/18/500311718.db2.gz LGIHPAHGCFCZDJ-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422903657 500313717 /nfs/dbraw/zinc/31/37/17/500313717.db2.gz OSFYJVOLLAFJIA-ZDUSSCGKSA-N 1 3 353.445 3.333 20 0 FGADHO Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422903656 500313911 /nfs/dbraw/zinc/31/39/11/500313911.db2.gz OSFYJVOLLAFJIA-CYBMUJFWSA-N 1 3 353.445 3.333 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909009 500315480 /nfs/dbraw/zinc/31/54/80/500315480.db2.gz FBHIRDKDXHGHJX-XJKSGUPXSA-N 1 3 366.502 3.274 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000426804082 500322754 /nfs/dbraw/zinc/32/27/54/500322754.db2.gz RSPILWNOWDUKQY-RTBURBONSA-N 1 3 372.553 3.375 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952593 500323170 /nfs/dbraw/zinc/32/31/70/500323170.db2.gz BKYQSVJXOFDSLM-UWJYYQICSA-N 1 3 372.557 3.041 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422952799 500323362 /nfs/dbraw/zinc/32/33/62/500323362.db2.gz DJHANLPNESVEEY-UZLBHIALSA-N 1 3 364.493 3.390 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418788878 500323552 /nfs/dbraw/zinc/32/35/52/500323552.db2.gz LMSPVGSJNMROJC-NJDAHSKKSA-N 1 3 372.557 3.200 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422961177 500324217 /nfs/dbraw/zinc/32/42/17/500324217.db2.gz AYVXQSXBIBZGLS-LBPRGKRZSA-N 1 3 363.303 3.374 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000422967134 500324943 /nfs/dbraw/zinc/32/49/43/500324943.db2.gz BGGWTUZFWQLMFP-INIZCTEOSA-N 1 3 356.466 3.358 20 0 FGADHO COc1ccc(COCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986720 500327362 /nfs/dbraw/zinc/32/73/62/500327362.db2.gz HEPXKKYAPXLAID-IRLDBZIGSA-N 1 3 368.477 3.057 20 0 FGADHO FC(F)(F)c1cccnc1OCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423001162 500329976 /nfs/dbraw/zinc/32/99/76/500329976.db2.gz WTSXSUDASPSNHD-NUEKZKHPSA-N 1 3 357.420 3.380 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071581 500338706 /nfs/dbraw/zinc/33/87/06/500338706.db2.gz FQBSSZWCBWMPMZ-ITEAAPOESA-N 1 3 371.500 3.412 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079585 500339247 /nfs/dbraw/zinc/33/92/47/500339247.db2.gz QYWFRQIFRPHXOD-ACZWYYKOSA-N 1 3 352.469 3.016 20 0 FGADHO O[C@@H]1CCC[C@]1(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079392 500339578 /nfs/dbraw/zinc/33/95/78/500339578.db2.gz YFYGQZDNNVJACJ-ZGJYDULXSA-N 1 3 360.517 3.410 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093046 500341042 /nfs/dbraw/zinc/34/10/42/500341042.db2.gz FNBCYGZJFSTGPE-ATDMTPKLSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093046 500341045 /nfs/dbraw/zinc/34/10/45/500341045.db2.gz FNBCYGZJFSTGPE-ATDMTPKLSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099531 500342033 /nfs/dbraw/zinc/34/20/33/500342033.db2.gz FJKZHMAKFYXQET-YFYLHZKVSA-N 1 3 352.906 3.150 20 0 FGADHO FC(F)O[C@@H]1CCCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103509 500342434 /nfs/dbraw/zinc/34/24/34/500342434.db2.gz AUCPWSPGUYUIFM-LORHWOILSA-N 1 3 352.425 3.382 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000423121328 500345233 /nfs/dbraw/zinc/34/52/33/500345233.db2.gz AUOJZCIWCMSVCD-XHHGLIPKSA-N 1 3 358.457 3.292 20 0 FGADHO Cc1cccc2c1OC[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131651 500346718 /nfs/dbraw/zinc/34/67/18/500346718.db2.gz BGTHVUWXBUGYTF-SFGWALBWSA-N 1 3 350.462 3.144 20 0 FGADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136765 500347444 /nfs/dbraw/zinc/34/74/44/500347444.db2.gz ZHOOESGEJQZFIN-ACESQOTJSA-N 1 3 373.585 3.235 20 0 FGADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143881 500348056 /nfs/dbraw/zinc/34/80/56/500348056.db2.gz FHNQFJYLTNNYCW-KZNAEPCWSA-N 1 3 370.946 3.014 20 0 FGADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166019 500350385 /nfs/dbraw/zinc/35/03/85/500350385.db2.gz YXYXCXIQOCYKMB-VCOUNFBDSA-N 1 3 352.478 3.090 20 0 FGADHO Brc1cccc([C@@H]([NH2+]C2CCNCC2)C2CCOCC2)c1 ZINC000423180141 500351926 /nfs/dbraw/zinc/35/19/26/500351926.db2.gz IFFGOMYOLDRCBB-KRWDZBQOSA-N 1 3 353.304 3.258 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000419331548 500354683 /nfs/dbraw/zinc/35/46/83/500354683.db2.gz CYGCMRDOOKLUQF-IPMKNSEASA-N 1 3 357.542 3.052 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000419331550 500354835 /nfs/dbraw/zinc/35/48/35/500354835.db2.gz CYGCMRDOOKLUQF-OTWHNJEPSA-N 1 3 357.542 3.052 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC[C@@H](C)C[NH3+] ZINC000423302349 500362662 /nfs/dbraw/zinc/36/26/62/500362662.db2.gz HEGJZTCRCVIGDS-VHSXEESVSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](C)CN ZINC000423302349 500362664 /nfs/dbraw/zinc/36/26/64/500362664.db2.gz HEGJZTCRCVIGDS-VHSXEESVSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000423332292 500364551 /nfs/dbraw/zinc/36/45/51/500364551.db2.gz QSJZDTCJFNOILL-MRXNPFEDSA-N 1 3 351.494 3.273 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)[C@H](N)c2ccccc2)c1 ZINC000423340771 500365112 /nfs/dbraw/zinc/36/51/12/500365112.db2.gz TYAVICKJJGQCIE-LJQANCHMSA-N 1 3 355.482 3.292 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423363776 500367553 /nfs/dbraw/zinc/36/75/53/500367553.db2.gz VFKGGXKBOWGMPB-ZDUSSCGKSA-N 1 3 373.884 3.459 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423363776 500367557 /nfs/dbraw/zinc/36/75/57/500367557.db2.gz VFKGGXKBOWGMPB-ZDUSSCGKSA-N 1 3 373.884 3.459 20 0 FGADHO FC(F)(F)[C@@H](CN[C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404278 500371123 /nfs/dbraw/zinc/37/11/23/500371123.db2.gz ZSGXYWUFXUOOIP-CVEARBPZSA-N 1 3 361.839 3.217 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423406311 500371318 /nfs/dbraw/zinc/37/13/18/500371318.db2.gz UPRHEQZPHRLJFK-IOASZLSFSA-N 1 3 372.294 3.200 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1I ZINC000423542178 500383805 /nfs/dbraw/zinc/38/38/05/500383805.db2.gz LWSXJKDISDGIIE-REWJHTLYSA-N 1 3 370.278 3.330 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444877 500394092 /nfs/dbraw/zinc/39/40/92/500394092.db2.gz VJYFHQXQAOJNNV-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC000423749770 500399065 /nfs/dbraw/zinc/39/90/65/500399065.db2.gz SGECYOXZTTUXJT-AWEZNQCLSA-N 1 3 361.436 3.189 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1 ZINC000423754858 500399740 /nfs/dbraw/zinc/39/97/40/500399740.db2.gz ZFQGDDCGXOICMY-GOSISDBHSA-N 1 3 353.510 3.343 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000431650965 500403189 /nfs/dbraw/zinc/40/31/89/500403189.db2.gz HCLQERJKBNMWMZ-NRFANRHFSA-N 1 3 374.573 3.347 20 0 FGADHO CC1CCC(O)(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000427675928 500419662 /nfs/dbraw/zinc/41/96/62/500419662.db2.gz BRBDEIJPHCCWMF-JMDAGXMHSA-N 1 3 352.563 3.139 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299946 500436866 /nfs/dbraw/zinc/43/68/66/500436866.db2.gz BYHRAXCUBGWFPG-HFBAOOFYSA-N 1 3 357.267 3.026 20 0 FGADHO O=C(c1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324177 500441627 /nfs/dbraw/zinc/44/16/27/500441627.db2.gz GWVLTTJEYZNXKJ-NHCUHLMSSA-N 1 3 355.526 3.134 20 0 FGADHO CCN(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420333536 500443610 /nfs/dbraw/zinc/44/36/10/500443610.db2.gz HREKUMISZKMUSN-JXFKEZNVSA-N 1 3 361.505 3.199 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367903 500448584 /nfs/dbraw/zinc/44/85/84/500448584.db2.gz AJFJBBXBTMPYIY-QZTJIDSGSA-N 1 3 356.869 3.076 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000420386074 500452831 /nfs/dbraw/zinc/45/28/31/500452831.db2.gz UPIYPUHWQYYRLD-FCHUYYIVSA-N 1 3 354.494 3.437 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388032 500453748 /nfs/dbraw/zinc/45/37/48/500453748.db2.gz KRBQPLCCAGGOFW-IFMALSPDSA-N 1 3 354.494 3.437 20 0 FGADHO CC(C)c1ccc([C@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411132 500457470 /nfs/dbraw/zinc/45/74/70/500457470.db2.gz XFJYUQMEDIBUQO-DQLDELGASA-N 1 3 370.541 3.091 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258949 500476264 /nfs/dbraw/zinc/47/62/64/500476264.db2.gz CLWYTDUWSGDXFS-FQEVSTJZSA-N 1 3 372.582 3.434 20 0 FGADHO CN1CCC(C[NH2+][C@H](C2CCC2)C2CCCCC2)(N2CCOCC2)CC1 ZINC000424277843 500480649 /nfs/dbraw/zinc/48/06/49/500480649.db2.gz BALHPFGYTNRFDP-NRFANRHFSA-N 1 3 363.590 3.122 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC000420984380 500547917 /nfs/dbraw/zinc/54/79/17/500547917.db2.gz SVDNFTIQQHRBAL-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC000420984380 500547920 /nfs/dbraw/zinc/54/79/20/500547920.db2.gz SVDNFTIQQHRBAL-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC000420984380 500547922 /nfs/dbraw/zinc/54/79/22/500547922.db2.gz SVDNFTIQQHRBAL-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593979 500602811 /nfs/dbraw/zinc/60/28/11/500602811.db2.gz KAZLKAZFSRWKIN-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593979 500602816 /nfs/dbraw/zinc/60/28/16/500602816.db2.gz KAZLKAZFSRWKIN-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593971 500602861 /nfs/dbraw/zinc/60/28/61/500602861.db2.gz KAZLKAZFSRWKIN-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593971 500602864 /nfs/dbraw/zinc/60/28/64/500602864.db2.gz KAZLKAZFSRWKIN-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO CC(C)N1CCC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048151 500613585 /nfs/dbraw/zinc/61/35/85/500613585.db2.gz MCMOHTHJTCUNEK-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO C[NH+](C)CCOCCN[C@H]1CCSc2ccc(Br)cc21 ZINC000447593750 500631430 /nfs/dbraw/zinc/63/14/30/500631430.db2.gz URNDHWZIOHFORO-AWEZNQCLSA-N 1 3 359.333 3.154 20 0 FGADHO CSc1ccccc1[C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442870622 500636948 /nfs/dbraw/zinc/63/69/48/500636948.db2.gz GHVIDIUGXXKXDH-WBVHZDCISA-N 1 3 351.560 3.152 20 0 FGADHO COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932600 500649034 /nfs/dbraw/zinc/64/90/34/500649034.db2.gz YDKCWMMLUGDZPX-KRWDZBQOSA-N 1 3 355.482 3.230 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000448252166 500738958 /nfs/dbraw/zinc/73/89/58/500738958.db2.gz LZHVGDACBGMKDT-SCTDSRPQSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252166 500738960 /nfs/dbraw/zinc/73/89/60/500738960.db2.gz LZHVGDACBGMKDT-SCTDSRPQSA-N 1 3 364.578 3.059 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762443 /nfs/dbraw/zinc/76/24/43/500762443.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 1 3 372.557 3.194 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762444 /nfs/dbraw/zinc/76/24/44/500762444.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 1 3 372.557 3.194 20 0 FGADHO CN1CCC2(CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438319471 500768986 /nfs/dbraw/zinc/76/89/86/500768986.db2.gz HNSQHDZJCGTRAE-LJQANCHMSA-N 1 3 362.562 3.053 20 0 FGADHO CN1CCC2(CCCN2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438319471 500768990 /nfs/dbraw/zinc/76/89/90/500768990.db2.gz HNSQHDZJCGTRAE-LJQANCHMSA-N 1 3 362.562 3.053 20 0 FGADHO C[C@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444024655 500793884 /nfs/dbraw/zinc/79/38/84/500793884.db2.gz XQWVJJKKSHFBEO-CEXWTWQISA-N 1 3 357.542 3.371 20 0 FGADHO C[C@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444024655 500793887 /nfs/dbraw/zinc/79/38/87/500793887.db2.gz XQWVJJKKSHFBEO-CEXWTWQISA-N 1 3 357.542 3.371 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434346779 500829734 /nfs/dbraw/zinc/82/97/34/500829734.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 1 3 364.578 3.157 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434346779 500829736 /nfs/dbraw/zinc/82/97/36/500829736.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 1 3 364.578 3.157 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1sccc1C ZINC000438912203 500834481 /nfs/dbraw/zinc/83/44/81/500834481.db2.gz NYNBHASONLZVLP-SFHVURJKSA-N 1 3 365.587 3.254 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1sccc1C ZINC000438912203 500834483 /nfs/dbraw/zinc/83/44/83/500834483.db2.gz NYNBHASONLZVLP-SFHVURJKSA-N 1 3 365.587 3.254 20 0 FGADHO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037127 500907924 /nfs/dbraw/zinc/90/79/24/500907924.db2.gz MJRBWXMGNKYERY-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000449105571 500926244 /nfs/dbraw/zinc/92/62/44/500926244.db2.gz YYLQRKFFITZWPL-IAGOWNOFSA-N 1 3 374.504 3.205 20 0 FGADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145485 500934543 /nfs/dbraw/zinc/93/45/43/500934543.db2.gz LKQHEMSJLBPTMY-SFTDATJTSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2ccccc2)CC1 ZINC000449167636 500938768 /nfs/dbraw/zinc/93/87/68/500938768.db2.gz AVSIFXDSOLVJBJ-KNQAVFIVSA-N 1 3 352.522 3.448 20 0 FGADHO CC[NH2+]CC1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435374829 500962212 /nfs/dbraw/zinc/96/22/12/500962212.db2.gz YTRHXSPDKODVQT-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CN(c1ccccc1CN(CC[NH3+])Cc1ccccc1)C1CCN(C)CC1 ZINC000435376923 500963266 /nfs/dbraw/zinc/96/32/66/500963266.db2.gz WFXDPLWDUZTSEK-UHFFFAOYSA-N 1 3 366.553 3.178 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376743 500963309 /nfs/dbraw/zinc/96/33/09/500963309.db2.gz UJFLWPHYUQKOTA-ZNMIVQPWSA-N 1 3 358.404 3.196 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435379056 500963770 /nfs/dbraw/zinc/96/37/70/500963770.db2.gz LACFJTBZUHCXIJ-KRWDZBQOSA-N 1 3 372.465 3.192 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383762 500964545 /nfs/dbraw/zinc/96/45/45/500964545.db2.gz JSWMQVSZIAQCTE-HIFRSBDPSA-N 1 3 352.404 3.450 20 0 FGADHO COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383339 500964557 /nfs/dbraw/zinc/96/45/57/500964557.db2.gz GQESNHIBCQHBKZ-XUVXKRRUSA-N 1 3 367.493 3.228 20 0 FGADHO CN(c1ccccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C1CCN(C)CC1 ZINC000449507157 501020569 /nfs/dbraw/zinc/02/05/69/501020569.db2.gz LSZGDNQVHBVFQK-GGAORHGYSA-N 1 3 371.569 3.104 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974209 501056847 /nfs/dbraw/zinc/05/68/47/501056847.db2.gz KFDYKBKFKFLZID-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777815 501084205 /nfs/dbraw/zinc/08/42/05/501084205.db2.gz VPFUFXYIHBIGMK-GTAWCEEGSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777815 501084206 /nfs/dbraw/zinc/08/42/06/501084206.db2.gz VPFUFXYIHBIGMK-GTAWCEEGSA-N 1 3 360.546 3.273 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000450341340 501095655 /nfs/dbraw/zinc/09/56/55/501095655.db2.gz ZPNRKNQJMXWJSK-UHFFFAOYSA-N 1 3 357.498 3.305 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000450341340 501095657 /nfs/dbraw/zinc/09/56/57/501095657.db2.gz ZPNRKNQJMXWJSK-UHFFFAOYSA-N 1 3 357.498 3.305 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282580 501101650 /nfs/dbraw/zinc/10/16/50/501101650.db2.gz HKYJQGNAFBRNOE-UYAOXDASSA-N 1 3 357.542 3.267 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282580 501101654 /nfs/dbraw/zinc/10/16/54/501101654.db2.gz HKYJQGNAFBRNOE-UYAOXDASSA-N 1 3 357.542 3.267 20 0 FGADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352976 501126253 /nfs/dbraw/zinc/12/62/53/501126253.db2.gz LGZDPFCDMRXLBI-FCHUYYIVSA-N 1 3 369.553 3.306 20 0 FGADHO Fc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133576 /nfs/dbraw/zinc/13/35/76/501133576.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 1 3 374.500 3.051 20 0 FGADHO Fc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133578 /nfs/dbraw/zinc/13/35/78/501133578.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 1 3 374.500 3.051 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000446619623 501142989 /nfs/dbraw/zinc/14/29/89/501142989.db2.gz HTZJZRNWCIXOIK-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO COC[C@@]1(C)CCN(Cc2cccc(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201477 501251570 /nfs/dbraw/zinc/25/15/70/501251570.db2.gz KEMHKKDTBFVUKY-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@]1(C)CCN(Cc2cccc(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201477 501251571 /nfs/dbraw/zinc/25/15/71/501251571.db2.gz KEMHKKDTBFVUKY-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000453091409 501266879 /nfs/dbraw/zinc/26/68/79/501266879.db2.gz QAWCIINSAKLFPF-QFIPXVFZSA-N 1 3 370.541 3.418 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453153531 501280642 /nfs/dbraw/zinc/28/06/42/501280642.db2.gz VFPKNHGVKDDFBW-BURNTYAHSA-N 1 3 355.526 3.030 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453153531 501280644 /nfs/dbraw/zinc/28/06/44/501280644.db2.gz VFPKNHGVKDDFBW-BURNTYAHSA-N 1 3 355.526 3.030 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453179893 501286404 /nfs/dbraw/zinc/28/64/04/501286404.db2.gz PPQOVOHSAFZTKM-PWRODBHTSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453179893 501286406 /nfs/dbraw/zinc/28/64/06/501286406.db2.gz PPQOVOHSAFZTKM-PWRODBHTSA-N 1 3 350.510 3.360 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453208528 501291719 /nfs/dbraw/zinc/29/17/19/501291719.db2.gz BYDNDIJXIDSGER-UYAOXDASSA-N 1 3 352.478 3.110 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453208528 501291722 /nfs/dbraw/zinc/29/17/22/501291722.db2.gz BYDNDIJXIDSGER-UYAOXDASSA-N 1 3 352.478 3.110 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453252984 501300176 /nfs/dbraw/zinc/30/01/76/501300176.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 1 3 350.510 3.300 20 0 FGADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000453252984 501300179 /nfs/dbraw/zinc/30/01/79/501300179.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 1 3 350.510 3.300 20 0 FGADHO CCC(CC)(CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458377973 501431278 /nfs/dbraw/zinc/43/12/78/501431278.db2.gz RRXBIHHTMLZAKJ-YSIASYRMSA-N 1 3 372.557 3.242 20 0 FGADHO CC[N@H+](CCNC(=O)NCc1ccccc1CN1CCCCC1)C(C)C ZINC000588270811 506255212 /nfs/dbraw/zinc/25/52/12/506255212.db2.gz HULXVPDTAVIVMU-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CC[N@@H+](CCNC(=O)NCc1ccccc1CN1CCCCC1)C(C)C ZINC000588270811 506255220 /nfs/dbraw/zinc/25/52/20/506255220.db2.gz HULXVPDTAVIVMU-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454217530 501484871 /nfs/dbraw/zinc/48/48/71/501484871.db2.gz IARSTTLGOIHVLO-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)N(C)C ZINC000458759389 501524453 /nfs/dbraw/zinc/52/44/53/501524453.db2.gz GHOYKTJVUDVVIU-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)N(C)C ZINC000458759389 501524456 /nfs/dbraw/zinc/52/44/56/501524456.db2.gz GHOYKTJVUDVVIU-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000454464619 501551594 /nfs/dbraw/zinc/55/15/94/501551594.db2.gz VZHWVDOAIFQZED-HXUWFJFHSA-N 1 3 360.546 3.163 20 0 FGADHO COc1cc2c(cc1C[NH2+]C1CCN(c3ccncc3)CC1)O[C@@H](C)C2 ZINC000459372185 501641137 /nfs/dbraw/zinc/64/11/37/501641137.db2.gz UFUWLNOWISLGNN-HNNXBMFYSA-N 1 3 353.466 3.172 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078026 501646586 /nfs/dbraw/zinc/64/65/86/501646586.db2.gz AHZYVEIMWADLNK-HXUWFJFHSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459411016 501649095 /nfs/dbraw/zinc/64/90/95/501649095.db2.gz PWGRLQQTBSYEOZ-RXVVDRJESA-N 1 3 350.510 3.476 20 0 FGADHO O=c1ccccn1Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459475435 501660399 /nfs/dbraw/zinc/66/03/99/501660399.db2.gz QESQARGOMMGHKS-UHFFFAOYSA-N 1 3 374.488 3.050 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000454960851 501662238 /nfs/dbraw/zinc/66/22/38/501662238.db2.gz MLUBABZHHYVHMN-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000457450222 501700513 /nfs/dbraw/zinc/70/05/13/501700513.db2.gz GNUHTSNNFMWBIK-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464569 501703822 /nfs/dbraw/zinc/70/38/22/501703822.db2.gz VXCMBWSDHOMTQW-UXHICEINSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464569 501703824 /nfs/dbraw/zinc/70/38/24/501703824.db2.gz VXCMBWSDHOMTQW-UXHICEINSA-N 1 3 360.546 3.194 20 0 FGADHO C(CCN1CCOC2(CCCC2)C1)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000485241320 501767678 /nfs/dbraw/zinc/76/76/78/501767678.db2.gz WYKVLHAEUQFHBJ-UHFFFAOYSA-N 1 3 350.547 3.447 20 0 FGADHO C(CCN1CCOC2(CCCC2)C1)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000485241320 501767681 /nfs/dbraw/zinc/76/76/81/501767681.db2.gz WYKVLHAEUQFHBJ-UHFFFAOYSA-N 1 3 350.547 3.447 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCCC3CC[NH+](C)CC3)c2C)cc1 ZINC000463747358 501811113 /nfs/dbraw/zinc/81/11/13/501811113.db2.gz AZUFZMZPALLNGA-UHFFFAOYSA-N 1 3 370.541 3.378 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)N(C)C ZINC000477877168 501817641 /nfs/dbraw/zinc/81/76/41/501817641.db2.gz KLDXNRAYHALGPU-RXVVDRJESA-N 1 3 374.573 3.406 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470885626 501842636 /nfs/dbraw/zinc/84/26/36/501842636.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470885626 501842643 /nfs/dbraw/zinc/84/26/43/501842643.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)N(C)C)cc1 ZINC000468061277 501943541 /nfs/dbraw/zinc/94/35/41/501943541.db2.gz KRLSTJVGLFRQLT-FQEVSTJZSA-N 1 3 360.546 3.114 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038269 501954584 /nfs/dbraw/zinc/95/45/84/501954584.db2.gz YMOCIQRWXXABOT-DENIHFKCSA-N 1 3 370.541 3.141 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038269 501954588 /nfs/dbraw/zinc/95/45/88/501954588.db2.gz YMOCIQRWXXABOT-DENIHFKCSA-N 1 3 370.541 3.141 20 0 FGADHO Fc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482111325 501977935 /nfs/dbraw/zinc/97/79/35/501977935.db2.gz AZFPOUNWOLDURK-OAQYLSRUSA-N 1 3 354.473 3.010 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000485910714 501985039 /nfs/dbraw/zinc/98/50/39/501985039.db2.gz XRQWYCGKNDKLIK-VSKRKVRLSA-N 1 3 369.553 3.245 20 0 FGADHO CCC[N@H+](C)CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000592878326 506288384 /nfs/dbraw/zinc/28/83/84/506288384.db2.gz JICBRLZQLHEFHY-UHFFFAOYSA-N 1 3 351.922 3.010 20 0 FGADHO CCC[N@@H+](C)CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000592878326 506288392 /nfs/dbraw/zinc/28/83/92/506288392.db2.gz JICBRLZQLHEFHY-UHFFFAOYSA-N 1 3 351.922 3.010 20 0 FGADHO CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475180269 502092938 /nfs/dbraw/zinc/09/29/38/502092938.db2.gz XTDZAVKFHDEGFX-QHAWAJNXSA-N 1 3 372.557 3.165 20 0 FGADHO Cc1cc2cc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553866 502109171 /nfs/dbraw/zinc/10/91/71/502109171.db2.gz MDNKJWJBBXHELJ-IAGOWNOFSA-N 1 3 357.498 3.288 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000471773450 502133579 /nfs/dbraw/zinc/13/35/79/502133579.db2.gz RGSAQAHFTZCHPH-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000468664662 502140178 /nfs/dbraw/zinc/14/01/78/502140178.db2.gz BQKPIRQMVMDBJX-PZJWPPBQSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@H](CCNC(=O)c1ccccc1CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000486516480 502178223 /nfs/dbraw/zinc/17/82/23/502178223.db2.gz JOHKLKFBURYVDL-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@H](CCNC(=O)c1ccccc1CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000486516480 502178229 /nfs/dbraw/zinc/17/82/29/502178229.db2.gz JOHKLKFBURYVDL-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227242 502198915 /nfs/dbraw/zinc/19/89/15/502198915.db2.gz SZALSALCEHLMRZ-SFTDATJTSA-N 1 3 369.484 3.039 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883336 502217140 /nfs/dbraw/zinc/21/71/40/502217140.db2.gz HRZSSELCPTVCGC-LJQANCHMSA-N 1 3 373.541 3.061 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883336 502217147 /nfs/dbraw/zinc/21/71/47/502217147.db2.gz HRZSSELCPTVCGC-LJQANCHMSA-N 1 3 373.541 3.061 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353434 502233243 /nfs/dbraw/zinc/23/32/43/502233243.db2.gz TZTVYCXLMVHTGC-XMTFNYHQSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353434 502233246 /nfs/dbraw/zinc/23/32/46/502233246.db2.gz TZTVYCXLMVHTGC-XMTFNYHQSA-N 1 3 364.534 3.128 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482981757 502236054 /nfs/dbraw/zinc/23/60/54/502236054.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482981757 502236057 /nfs/dbraw/zinc/23/60/57/502236057.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 1 3 355.526 3.032 20 0 FGADHO CCN1CC[NH+](C[C@H](C)CNc2ccnc3cc(F)c(OC)cc32)CC1 ZINC000479389689 502244077 /nfs/dbraw/zinc/24/40/77/502244077.db2.gz DYBQFKDSMVAJAU-OAHLLOKOSA-N 1 3 360.477 3.068 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000461946414 502247470 /nfs/dbraw/zinc/24/74/70/502247470.db2.gz GSGLERPFHKTQBF-WOJBJXKFSA-N 1 3 360.546 3.195 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147793 502290631 /nfs/dbraw/zinc/29/06/31/502290631.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147793 502290636 /nfs/dbraw/zinc/29/06/36/502290636.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 1 3 369.553 3.422 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536489 502297005 /nfs/dbraw/zinc/29/70/05/502297005.db2.gz DXUWZAHMDCKHQA-TZIWHRDSSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000465554249 502304953 /nfs/dbraw/zinc/30/49/53/502304953.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000465554249 502304959 /nfs/dbraw/zinc/30/49/59/502304959.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 1 3 372.557 3.200 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538063 502424841 /nfs/dbraw/zinc/42/48/41/502424841.db2.gz LHOJOVFUJMJGCQ-QKLQHJQFSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538063 502424847 /nfs/dbraw/zinc/42/48/47/502424847.db2.gz LHOJOVFUJMJGCQ-QKLQHJQFSA-N 1 3 352.494 3.320 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465914687 502425634 /nfs/dbraw/zinc/42/56/34/502425634.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465914687 502425637 /nfs/dbraw/zinc/42/56/37/502425637.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CCN(C)[C@H](C)C3)c2)CC1 ZINC000465929283 502430705 /nfs/dbraw/zinc/43/07/05/502430705.db2.gz DUZMLTSHIIKTIV-NQIIRXRSSA-N 1 3 372.557 3.200 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005171 502451745 /nfs/dbraw/zinc/45/17/45/502451745.db2.gz UILKRCCCKYBVAU-HKUYNNGSSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005171 502451750 /nfs/dbraw/zinc/45/17/50/502451750.db2.gz UILKRCCCKYBVAU-HKUYNNGSSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000487518989 502465888 /nfs/dbraw/zinc/46/58/88/502465888.db2.gz QLLRZXUUKNZOHV-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000487518989 502465893 /nfs/dbraw/zinc/46/58/93/502465893.db2.gz QLLRZXUUKNZOHV-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000480080305 502467133 /nfs/dbraw/zinc/46/71/33/502467133.db2.gz BATCTUAGZLKHLL-FGTMMUONSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000480080305 502467142 /nfs/dbraw/zinc/46/71/42/502467142.db2.gz BATCTUAGZLKHLL-FGTMMUONSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000480080305 502467148 /nfs/dbraw/zinc/46/71/48/502467148.db2.gz BATCTUAGZLKHLL-FGTMMUONSA-N 1 3 353.576 3.077 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000473183803 502538953 /nfs/dbraw/zinc/53/89/53/502538953.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000473183803 502538958 /nfs/dbraw/zinc/53/89/58/502538958.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539968 /nfs/dbraw/zinc/53/99/68/502539968.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539973 /nfs/dbraw/zinc/53/99/73/502539973.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749072 502557231 /nfs/dbraw/zinc/55/72/31/502557231.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749072 502557238 /nfs/dbraw/zinc/55/72/38/502557238.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749070 502557270 /nfs/dbraw/zinc/55/72/70/502557270.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749070 502557276 /nfs/dbraw/zinc/55/72/76/502557276.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832654 502561655 /nfs/dbraw/zinc/56/16/55/502561655.db2.gz USCSYCVINAPZSP-CTAFRAEOSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832654 502561658 /nfs/dbraw/zinc/56/16/58/502561658.db2.gz USCSYCVINAPZSP-CTAFRAEOSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2cccc(Br)c21 ZINC000484142223 502581664 /nfs/dbraw/zinc/58/16/64/502581664.db2.gz IDXDBCALFKHJKA-DOMZBBRYSA-N 1 3 353.304 3.044 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487965478 502582899 /nfs/dbraw/zinc/58/28/99/502582899.db2.gz TWJFUHGIZCYYSZ-QZTJIDSGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487965478 502582901 /nfs/dbraw/zinc/58/29/01/502582901.db2.gz TWJFUHGIZCYYSZ-QZTJIDSGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000480572079 502607427 /nfs/dbraw/zinc/60/74/27/502607427.db2.gz RIQKQXXRZXJMGQ-UTKZUKDTSA-N 1 3 368.525 3.239 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629152 502627194 /nfs/dbraw/zinc/62/71/94/502627194.db2.gz CQUVQGRASXOCIK-RXVVDRJESA-N 1 3 373.541 3.040 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000488319527 502683503 /nfs/dbraw/zinc/68/35/03/502683503.db2.gz CBCHYNJIKGBGLE-OAQYLSRUSA-N 1 3 360.542 3.159 20 0 FGADHO CC/C=C\CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000466802985 502685638 /nfs/dbraw/zinc/68/56/38/502685638.db2.gz RNPFQHFYWLKNMT-PLNGDYQASA-N 1 3 357.542 3.303 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639090 502692472 /nfs/dbraw/zinc/69/24/72/502692472.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639090 502692475 /nfs/dbraw/zinc/69/24/75/502692475.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470372091 502754148 /nfs/dbraw/zinc/75/41/48/502754148.db2.gz JMDSAEPZVMMFDZ-QGZVFWFLSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470372091 502754152 /nfs/dbraw/zinc/75/41/52/502754152.db2.gz JMDSAEPZVMMFDZ-QGZVFWFLSA-N 1 3 363.505 3.452 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474042576 502787504 /nfs/dbraw/zinc/78/75/04/502787504.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474042576 502787508 /nfs/dbraw/zinc/78/75/08/502787508.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470480699 502790251 /nfs/dbraw/zinc/79/02/51/502790251.db2.gz XOXWAPVSWCMORT-NRFANRHFSA-N 1 3 374.573 3.459 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000489241866 502909049 /nfs/dbraw/zinc/90/90/49/502909049.db2.gz XTORMUXWWFAENY-SFHVURJKSA-N 1 3 352.567 3.011 20 0 FGADHO CN(CC(=O)NCCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040919 502919635 /nfs/dbraw/zinc/91/96/35/502919635.db2.gz UHXYRGDFGMFZDG-UHFFFAOYSA-N 1 3 372.557 3.316 20 0 FGADHO C[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2ccncc2)CC1 ZINC000501051236 502923050 /nfs/dbraw/zinc/92/30/50/502923050.db2.gz YHGNXUBOYXBEAL-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO C[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2ccncc2)CC1 ZINC000501051236 502923054 /nfs/dbraw/zinc/92/30/54/502923054.db2.gz YHGNXUBOYXBEAL-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO CC(C)C[C@@H](C)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065975 502926014 /nfs/dbraw/zinc/92/60/14/502926014.db2.gz BJZAICHWTDAZDF-GOSISDBHSA-N 1 3 360.546 3.123 20 0 FGADHO C[C@H]1C[C@@H](CCNCc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500016 502952955 /nfs/dbraw/zinc/95/29/55/502952955.db2.gz KKIBCKSVZKVCOA-DOTOQJQBSA-N 1 3 357.523 3.237 20 0 FGADHO C[C@H]1C[C@@H](CCNCc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500016 502952959 /nfs/dbraw/zinc/95/29/59/502952959.db2.gz KKIBCKSVZKVCOA-DOTOQJQBSA-N 1 3 357.523 3.237 20 0 FGADHO Cc1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000501209494 502958939 /nfs/dbraw/zinc/95/89/39/502958939.db2.gz MTIVTGRPDPCWKE-UHFFFAOYSA-N 1 3 350.576 3.080 20 0 FGADHO COc1cc(Br)c(CNC2CCC([NH+](C)C)CC2)cc1OC ZINC000513662169 502994154 /nfs/dbraw/zinc/99/41/54/502994154.db2.gz SZLIHGPRCKHASX-UHFFFAOYSA-N 1 3 371.319 3.429 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501383870 502997748 /nfs/dbraw/zinc/99/77/48/502997748.db2.gz AOUAJAXSVQRTQO-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513679234 502999204 /nfs/dbraw/zinc/99/92/04/502999204.db2.gz VRTYUPDKLSKVJK-PWRODBHTSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513679234 502999208 /nfs/dbraw/zinc/99/92/08/502999208.db2.gz VRTYUPDKLSKVJK-PWRODBHTSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513679234 502999213 /nfs/dbraw/zinc/99/92/13/502999213.db2.gz VRTYUPDKLSKVJK-PWRODBHTSA-N 1 3 357.542 3.039 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000497635169 503004923 /nfs/dbraw/zinc/00/49/23/503004923.db2.gz XPGSPDQFFUWMAC-NQIIRXRSSA-N 1 3 372.557 3.386 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000497635169 503004929 /nfs/dbraw/zinc/00/49/29/503004929.db2.gz XPGSPDQFFUWMAC-NQIIRXRSSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501533221 503030322 /nfs/dbraw/zinc/03/03/22/503030322.db2.gz IOIRDLURYAQZKZ-HAGHYFMRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501533221 503030326 /nfs/dbraw/zinc/03/03/26/503030326.db2.gz IOIRDLURYAQZKZ-HAGHYFMRSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCCC[C@H]1C ZINC000501532203 503030446 /nfs/dbraw/zinc/03/04/46/503030446.db2.gz NARIMQZTUNZJPA-QZTJIDSGSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCCC[C@H]1C ZINC000501532203 503030451 /nfs/dbraw/zinc/03/04/51/503030451.db2.gz NARIMQZTUNZJPA-QZTJIDSGSA-N 1 3 352.567 3.203 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000489774577 503031006 /nfs/dbraw/zinc/03/10/06/503031006.db2.gz IZAIAPSLDOLFRY-AABGKKOBSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501545441 503034144 /nfs/dbraw/zinc/03/41/44/503034144.db2.gz IJSRQQBIDRMDOB-WOJBJXKFSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501545441 503034147 /nfs/dbraw/zinc/03/41/47/503034147.db2.gz IJSRQQBIDRMDOB-WOJBJXKFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489794127 503036250 /nfs/dbraw/zinc/03/62/50/503036250.db2.gz SHIYNOGLIPLBBS-PWRODBHTSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810466 503041146 /nfs/dbraw/zinc/04/11/46/503041146.db2.gz XCVAUIKKKBPMIT-PBASOCQRSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000513891554 503042807 /nfs/dbraw/zinc/04/28/07/503042807.db2.gz ITOIZZQYKRYKHR-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000513891554 503042810 /nfs/dbraw/zinc/04/28/10/503042810.db2.gz ITOIZZQYKRYKHR-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057105 /nfs/dbraw/zinc/05/71/05/503057105.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057110 /nfs/dbraw/zinc/05/71/10/503057110.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028088 503072153 /nfs/dbraw/zinc/07/21/53/503072153.db2.gz ZOMSCIGTMKNWOR-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084042 503083401 /nfs/dbraw/zinc/08/34/01/503083401.db2.gz OCHPITSNISMNIE-INIZCTEOSA-N 1 3 365.477 3.117 20 0 FGADHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084042 503083406 /nfs/dbraw/zinc/08/34/06/503083406.db2.gz OCHPITSNISMNIE-INIZCTEOSA-N 1 3 365.477 3.117 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000498031115 503091499 /nfs/dbraw/zinc/09/14/99/503091499.db2.gz XYAYKWDMMCSSQQ-QMMLZNLJSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000498031115 503091504 /nfs/dbraw/zinc/09/15/04/503091504.db2.gz XYAYKWDMMCSSQQ-QMMLZNLJSA-N 1 3 374.573 3.270 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000510383357 503103328 /nfs/dbraw/zinc/10/33/28/503103328.db2.gz WSEAMVIZWQXJTK-HXUWFJFHSA-N 1 3 372.557 3.339 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000514764118 503186556 /nfs/dbraw/zinc/18/65/56/503186556.db2.gz ZKHDNOWHWMKTDD-IRXDYDNUSA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000514764118 503186558 /nfs/dbraw/zinc/18/65/58/503186558.db2.gz ZKHDNOWHWMKTDD-IRXDYDNUSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490863604 503238135 /nfs/dbraw/zinc/23/81/35/503238135.db2.gz UMZKEDZFRXCVRW-QZTJIDSGSA-N 1 3 372.557 3.058 20 0 FGADHO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000514976461 503240285 /nfs/dbraw/zinc/24/02/85/503240285.db2.gz BRXRQRMNUNXIMW-MOPGFXCFSA-N 1 3 354.897 3.379 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507518566 503313183 /nfs/dbraw/zinc/31/31/83/503313183.db2.gz DKQGNIRUWYDNNR-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507518566 503313187 /nfs/dbraw/zinc/31/31/87/503313187.db2.gz DKQGNIRUWYDNNR-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507518566 503313193 /nfs/dbraw/zinc/31/31/93/503313193.db2.gz DKQGNIRUWYDNNR-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521984 503314867 /nfs/dbraw/zinc/31/48/67/503314867.db2.gz CKORTKHGYSMHGI-BHIFYINESA-N 1 3 369.553 3.442 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000503110762 503349218 /nfs/dbraw/zinc/34/92/18/503349218.db2.gz MMTPOIZMRRHMFN-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677203 503367847 /nfs/dbraw/zinc/36/78/47/503367847.db2.gz HWARWAYOFKBGHD-UWJYYQICSA-N 1 3 351.494 3.314 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390457 503399711 /nfs/dbraw/zinc/39/97/11/503399711.db2.gz LTOJHBJAWWLAGC-JZXOWHBKSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390457 503399714 /nfs/dbraw/zinc/39/97/14/503399714.db2.gz LTOJHBJAWWLAGC-JZXOWHBKSA-N 1 3 364.534 3.128 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247129 503415229 /nfs/dbraw/zinc/41/52/29/503415229.db2.gz KLEFNANLQGSTCG-SXSPYAJSSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247129 503415230 /nfs/dbraw/zinc/41/52/30/503415230.db2.gz KLEFNANLQGSTCG-SXSPYAJSSA-N 1 3 350.506 3.455 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416542 /nfs/dbraw/zinc/41/65/42/503416542.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416547 /nfs/dbraw/zinc/41/65/47/503416547.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 1 3 364.578 3.157 20 0 FGADHO C[NH+]1CCC(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511997048 503431912 /nfs/dbraw/zinc/43/19/12/503431912.db2.gz OBMJDUBFTSGRDS-UHFFFAOYSA-N 1 3 352.404 3.323 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512050925 503444079 /nfs/dbraw/zinc/44/40/79/503444079.db2.gz FHVLDCVZMSHGLT-FPMVPNIMSA-N 1 3 350.453 3.336 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000493851877 503449990 /nfs/dbraw/zinc/44/99/90/503449990.db2.gz XKYIRLZBWDNZIR-NJDAHSKKSA-N 1 3 358.526 3.107 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000503739811 503467825 /nfs/dbraw/zinc/46/78/25/503467825.db2.gz TXZYBVXRFRHHLI-QGZVFWFLSA-N 1 3 360.546 3.099 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195456 503483344 /nfs/dbraw/zinc/48/33/44/503483344.db2.gz NUGBASLNCYJXIR-GHTZIAJQSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000499887295 503502950 /nfs/dbraw/zinc/50/29/50/503502950.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000499887295 503502954 /nfs/dbraw/zinc/50/29/54/503502954.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508715637 503549661 /nfs/dbraw/zinc/54/96/61/503549661.db2.gz JIEJFGYJFBSSFH-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715637 503549666 /nfs/dbraw/zinc/54/96/66/503549666.db2.gz JIEJFGYJFBSSFH-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715637 503549669 /nfs/dbraw/zinc/54/96/69/503549669.db2.gz JIEJFGYJFBSSFH-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000500130021 503561615 /nfs/dbraw/zinc/56/16/15/503561615.db2.gz BYYNJPLLCDFRSM-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)N(C)C ZINC000508894001 503592310 /nfs/dbraw/zinc/59/23/10/503592310.db2.gz JWKSCJPYMGOZEB-UYAOXDASSA-N 1 3 360.546 3.114 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508904942 503596065 /nfs/dbraw/zinc/59/60/65/503596065.db2.gz JFFCHSNOMKDSGC-TYPHKJRUSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)C ZINC000508909731 503597660 /nfs/dbraw/zinc/59/76/60/503597660.db2.gz XNQLXKMFSQFYGW-SBHAEUEKSA-N 1 3 372.557 3.114 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070899 503635074 /nfs/dbraw/zinc/63/50/74/503635074.db2.gz OTENDYFTJASYPU-IBGZPJMESA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070899 503635077 /nfs/dbraw/zinc/63/50/77/503635077.db2.gz OTENDYFTJASYPU-IBGZPJMESA-N 1 3 368.525 3.031 20 0 FGADHO C[NH+](C)CC1(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CCCC1 ZINC000517130095 503651904 /nfs/dbraw/zinc/65/19/04/503651904.db2.gz NCTSECKYFAWFLS-TZIWHRDSSA-N 1 3 360.542 3.153 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000517148992 503656135 /nfs/dbraw/zinc/65/61/35/503656135.db2.gz NVAJRTRVFGJMOA-VAMGGRTRSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc(NC(=O)CCNCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC000517231264 503685884 /nfs/dbraw/zinc/68/58/84/503685884.db2.gz YNIMEMZHEQMHNV-GOSISDBHSA-N 1 3 354.498 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC000517231264 503685889 /nfs/dbraw/zinc/68/58/89/503685889.db2.gz YNIMEMZHEQMHNV-GOSISDBHSA-N 1 3 354.498 3.219 20 0 FGADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221321 503716211 /nfs/dbraw/zinc/71/62/11/503716211.db2.gz DWLBJASSHKBWKK-QRTARXTBSA-N 1 3 369.431 3.131 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1)CC(C)C ZINC000540272006 503728324 /nfs/dbraw/zinc/72/83/24/503728324.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1)CC(C)C ZINC000540272006 503728326 /nfs/dbraw/zinc/72/83/26/503728326.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000517371923 503728691 /nfs/dbraw/zinc/72/86/91/503728691.db2.gz LNLIMHPXAYNTBW-MPGHIAIKSA-N 1 3 363.933 3.227 20 0 FGADHO Cc1cc([C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)ccc1F ZINC000540301310 503732216 /nfs/dbraw/zinc/73/22/16/503732216.db2.gz HHIIJXFHIQEWJD-OAQYLSRUSA-N 1 3 361.505 3.118 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000543406860 503758041 /nfs/dbraw/zinc/75/80/41/503758041.db2.gz MYHKBYGWNFSDJE-REWPJTCUSA-N 1 3 373.585 3.470 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000543406860 503758044 /nfs/dbraw/zinc/75/80/44/503758044.db2.gz MYHKBYGWNFSDJE-REWPJTCUSA-N 1 3 373.585 3.470 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000517562546 503772804 /nfs/dbraw/zinc/77/28/04/503772804.db2.gz SNJJWTSULSPNNP-KRWDZBQOSA-N 1 3 351.560 3.101 20 0 FGADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1Cl ZINC000537000213 503775029 /nfs/dbraw/zinc/77/50/29/503775029.db2.gz UKDHTLHHLCOWTF-HXUWFJFHSA-N 1 3 367.965 3.017 20 0 FGADHO CC(C)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000546592095 503800583 /nfs/dbraw/zinc/80/05/83/503800583.db2.gz OMVZOBAIRZLXDH-UNMCSNQZSA-N 1 3 353.510 3.392 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194836 503835268 /nfs/dbraw/zinc/83/52/68/503835268.db2.gz LBBTZHRRCPBFMO-LEWJYISDSA-N 1 3 357.542 3.485 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194836 503835273 /nfs/dbraw/zinc/83/52/73/503835273.db2.gz LBBTZHRRCPBFMO-LEWJYISDSA-N 1 3 357.542 3.485 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000543639317 503837901 /nfs/dbraw/zinc/83/79/01/503837901.db2.gz DAZWXDFXMVXVQX-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CN1CC=C(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000537273613 503866069 /nfs/dbraw/zinc/86/60/69/503866069.db2.gz PDQNUWSRQNGNSP-UHFFFAOYSA-N 1 3 370.541 3.124 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000533534517 503879226 /nfs/dbraw/zinc/87/92/26/503879226.db2.gz LGUDPIAYHYOWKN-BGYRXZFFSA-N 1 3 371.569 3.260 20 0 FGADHO c1ccc2c(c1)cccc2OCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238868 503887821 /nfs/dbraw/zinc/88/78/21/503887821.db2.gz DNHNOKFYCPXFRK-HXUWFJFHSA-N 1 3 354.494 3.309 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023369 503891588 /nfs/dbraw/zinc/89/15/88/503891588.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023369 503891592 /nfs/dbraw/zinc/89/15/92/503891592.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 1 3 370.541 3.138 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@]12CCCO2 ZINC000546871580 503910874 /nfs/dbraw/zinc/91/08/74/503910874.db2.gz AQDUGCVQOPKHJB-DVWBAYGPSA-N 1 3 362.514 3.004 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926271 503941117 /nfs/dbraw/zinc/94/11/17/503941117.db2.gz GBVWCUKDPDOBDI-LJQANCHMSA-N 1 3 366.509 3.031 20 0 FGADHO Clc1ccc(-c2noc(CCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349053 503958578 /nfs/dbraw/zinc/95/85/78/503958578.db2.gz PAXRYJNWZJEAKQ-DOTOQJQBSA-N 1 3 360.889 3.397 20 0 FGADHO COc1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000527991428 504029691 /nfs/dbraw/zinc/02/96/91/504029691.db2.gz VPJIFAULTGSIDA-PCCBWWKXSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@H](C)O1 ZINC000530633422 504033932 /nfs/dbraw/zinc/03/39/32/504033932.db2.gz PVOMHMIKTSJVKS-HOTGVXAUSA-N 1 3 356.457 3.310 20 0 FGADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530641845 504035773 /nfs/dbraw/zinc/03/57/73/504035773.db2.gz VVPUDYXJIBYINF-CYBMUJFWSA-N 1 3 360.329 3.049 20 0 FGADHO CCCN(CCC)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843543 504062062 /nfs/dbraw/zinc/06/20/62/504062062.db2.gz VBALNSWLEQODHP-UHFFFAOYSA-N 1 3 360.546 3.269 20 0 FGADHO CC[N@H+](CCC1CCN(CC(=O)N(C(C)C)C(C)C)CC1)CC1CC1 ZINC000537847815 504063680 /nfs/dbraw/zinc/06/36/80/504063680.db2.gz VABAPXZTKFZPBR-UHFFFAOYSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN(CC(=O)N(C(C)C)C(C)C)CC1)CC1CC1 ZINC000537847815 504063687 /nfs/dbraw/zinc/06/36/87/504063687.db2.gz VABAPXZTKFZPBR-UHFFFAOYSA-N 1 3 351.579 3.466 20 0 FGADHO CC(C)CCn1cccc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544600584 504187248 /nfs/dbraw/zinc/18/72/48/504187248.db2.gz FCLBEZJPGXDGAF-UHFFFAOYSA-N 1 3 360.590 3.384 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191036 /nfs/dbraw/zinc/19/10/36/504191036.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191038 /nfs/dbraw/zinc/19/10/38/504191038.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 1 3 372.557 3.242 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000519388434 504208689 /nfs/dbraw/zinc/20/86/89/504208689.db2.gz MWJTUCONKBNLMC-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000531429280 504303745 /nfs/dbraw/zinc/30/37/45/504303745.db2.gz ZTGRDMILVPNYPZ-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO OC[C@@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)COc2ccccc2C1 ZINC000528646632 504311077 /nfs/dbraw/zinc/31/10/77/504311077.db2.gz UVKCLCQNVQFKAY-HSZRJFAPSA-N 1 3 366.505 3.128 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944789 504482907 /nfs/dbraw/zinc/48/29/07/504482907.db2.gz KXSWSFXOKMOLTB-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944789 504482912 /nfs/dbraw/zinc/48/29/12/504482912.db2.gz KXSWSFXOKMOLTB-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944789 504482913 /nfs/dbraw/zinc/48/29/13/504482913.db2.gz KXSWSFXOKMOLTB-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450687 504494493 /nfs/dbraw/zinc/49/44/93/504494493.db2.gz IEWXRZYOQVAHIX-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO COCCC[NH+]1CCC(N[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539200949 504496866 /nfs/dbraw/zinc/49/68/66/504496866.db2.gz HXONBXIEHILQFC-IBGZPJMESA-N 1 3 361.486 3.321 20 0 FGADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)N(C)C ZINC000539254727 504513991 /nfs/dbraw/zinc/51/39/91/504513991.db2.gz RDFTYSSYFYPQJQ-PKOBYXMFSA-N 1 3 361.530 3.069 20 0 FGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000539317560 504528067 /nfs/dbraw/zinc/52/80/67/504528067.db2.gz PITBKTWSMUBHFE-QFIPXVFZSA-N 1 3 368.500 3.400 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575234 /nfs/dbraw/zinc/57/52/34/504575234.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575239 /nfs/dbraw/zinc/57/52/39/504575239.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000520782531 504580903 /nfs/dbraw/zinc/58/09/03/504580903.db2.gz SVTUTAUASGLRNM-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO CN(CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786726 504610968 /nfs/dbraw/zinc/61/09/68/504610968.db2.gz PZXOXJYLFLRHLO-UZLBHIALSA-N 1 3 372.538 3.169 20 0 FGADHO Brc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc2c1OCO2 ZINC000520962250 504617779 /nfs/dbraw/zinc/61/77/79/504617779.db2.gz YMHXBPNROBWBMJ-UHFFFAOYSA-N 1 3 367.287 3.284 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447118 504654491 /nfs/dbraw/zinc/65/44/91/504654491.db2.gz NVNQZUYOEAJSCP-HXUWFJFHSA-N 1 3 359.558 3.260 20 0 FGADHO CC[NH+](CC)CCOC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000539719966 504664549 /nfs/dbraw/zinc/66/45/49/504664549.db2.gz PYEBUPAKFIYPCV-UHFFFAOYSA-N 1 3 350.478 3.221 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589540 504704372 /nfs/dbraw/zinc/70/43/72/504704372.db2.gz LFVMGXRBVVYADB-IEBWSBKVSA-N 1 3 356.514 3.304 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589540 504704375 /nfs/dbraw/zinc/70/43/75/504704375.db2.gz LFVMGXRBVVYADB-IEBWSBKVSA-N 1 3 356.514 3.304 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H](C)O1 ZINC000543062319 504708096 /nfs/dbraw/zinc/70/80/96/504708096.db2.gz CJSMUXPUQFPKFG-GJZGRUSLSA-N 1 3 352.906 3.254 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000565072078 504787531 /nfs/dbraw/zinc/78/75/31/504787531.db2.gz ZGFZZAYRZVNCSC-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)Cc1ccc(F)cc1 ZINC000559151793 504792312 /nfs/dbraw/zinc/79/23/12/504792312.db2.gz QIDRLXAEJSXGDC-JBYIUTFZSA-N 1 3 370.512 3.475 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000556236244 504824748 /nfs/dbraw/zinc/82/47/48/504824748.db2.gz JROGNDMNVDOXQI-QGZVFWFLSA-N 1 3 352.482 3.168 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549448100 504825182 /nfs/dbraw/zinc/82/51/82/504825182.db2.gz FGQRYNGAJMMQSB-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO Cc1ccccc1C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC1 ZINC000556584013 504910904 /nfs/dbraw/zinc/91/09/04/504910904.db2.gz NKBNAFFWJJAOPQ-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO Nc1nccc([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702835 504913654 /nfs/dbraw/zinc/91/36/54/504913654.db2.gz SLPXKZQOPZKNNE-FQEVSTJZSA-N 1 3 365.525 3.255 20 0 FGADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000565593140 504932327 /nfs/dbraw/zinc/93/23/27/504932327.db2.gz GSDQKSCCUHGXJO-XNJGSVPQSA-N 1 3 355.935 3.089 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4c[nH]nc4cc3C)CC2)CC1 ZINC000553557802 504947774 /nfs/dbraw/zinc/94/77/74/504947774.db2.gz ANMYHRKZYJTCTB-UHFFFAOYSA-N 1 3 369.513 3.006 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1)C1CC1 ZINC000553774985 505006067 /nfs/dbraw/zinc/00/60/67/505006067.db2.gz PKQHTZXQCKLECW-LAUBAEHRSA-N 1 3 355.526 3.370 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985178 505009491 /nfs/dbraw/zinc/00/94/91/505009491.db2.gz ICVAMZVQXQYEGS-UKRRQHHQSA-N 1 3 361.313 3.055 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000556984303 505038270 /nfs/dbraw/zinc/03/82/70/505038270.db2.gz FSEQTRDTYQNMND-QGZVFWFLSA-N 1 3 367.331 3.263 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)Nc3cccc4c3CCNC4)CC2)CC1 ZINC000557032320 505048231 /nfs/dbraw/zinc/04/82/31/505048231.db2.gz JXILUXPTWQBJTG-UHFFFAOYSA-N 1 3 370.541 3.497 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000563112108 505050957 /nfs/dbraw/zinc/05/09/57/505050957.db2.gz CJSYOVOBLKQURO-FQEVSTJZSA-N 1 3 369.509 3.345 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000553985684 505061526 /nfs/dbraw/zinc/06/15/26/505061526.db2.gz DYCUGUWHSBXGCZ-QGZVFWFLSA-N 1 3 366.347 3.492 20 0 FGADHO CN(CCOCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000563155212 505061678 /nfs/dbraw/zinc/06/16/78/505061678.db2.gz GKCUUGMJDOMPAL-UHFFFAOYSA-N 1 3 356.495 3.008 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000560525935 505114546 /nfs/dbraw/zinc/11/45/46/505114546.db2.gz BGNXSYNLMYNZNP-FJIDUMEYSA-N 1 3 363.933 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000560525935 505114548 /nfs/dbraw/zinc/11/45/48/505114548.db2.gz BGNXSYNLMYNZNP-FJIDUMEYSA-N 1 3 363.933 3.390 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000554218415 505119013 /nfs/dbraw/zinc/11/90/13/505119013.db2.gz OJRKPQPLLPRBJW-CEWLAPEOSA-N 1 3 372.557 3.338 20 0 FGADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)ccn1 ZINC000550940548 505127111 /nfs/dbraw/zinc/12/71/11/505127111.db2.gz QQMYHKSCIQFHTD-IBGZPJMESA-N 1 3 368.525 3.343 20 0 FGADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000551065436 505151684 /nfs/dbraw/zinc/15/16/84/505151684.db2.gz VDLQXKDTIGQFGB-UHFFFAOYSA-N 1 3 369.484 3.451 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239175 505184028 /nfs/dbraw/zinc/18/40/28/505184028.db2.gz NEIOBFXEIMLTNF-WBVHZDCISA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239175 505184029 /nfs/dbraw/zinc/18/40/29/505184029.db2.gz NEIOBFXEIMLTNF-WBVHZDCISA-N 1 3 373.463 3.370 20 0 FGADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641498 505191102 /nfs/dbraw/zinc/19/11/02/505191102.db2.gz TYUZBFXQRLALAN-UNMCSNQZSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641498 505191105 /nfs/dbraw/zinc/19/11/05/505191105.db2.gz TYUZBFXQRLALAN-UNMCSNQZSA-N 1 3 357.542 3.231 20 0 FGADHO COc1cc(F)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000560897414 505208715 /nfs/dbraw/zinc/20/87/15/505208715.db2.gz FGLYQCFFGWBJFX-JYJNAYRXSA-N 1 3 368.493 3.383 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554622075 505225341 /nfs/dbraw/zinc/22/53/41/505225341.db2.gz MGMBBUPFTKVYHJ-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276560 /nfs/dbraw/zinc/27/65/60/505276560.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276564 /nfs/dbraw/zinc/27/65/64/505276564.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 1 3 364.489 3.412 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012321 505285386 /nfs/dbraw/zinc/28/53/86/505285386.db2.gz POFWCCPBWPXZQZ-CNNODRBYSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261237 505346818 /nfs/dbraw/zinc/34/68/18/505346818.db2.gz ZXKDLZBJKFIGDY-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261237 505346819 /nfs/dbraw/zinc/34/68/19/505346819.db2.gz ZXKDLZBJKFIGDY-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO CCN(Cc1cccs1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000564479960 505429979 /nfs/dbraw/zinc/42/99/79/505429979.db2.gz JHGBDSHATYUURN-UHFFFAOYSA-N 1 3 363.571 3.293 20 0 FGADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552250237 505440528 /nfs/dbraw/zinc/44/05/28/505440528.db2.gz YZAWRCODWPZIJX-BHDDXSALSA-N 1 3 352.526 3.472 20 0 FGADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552250874 505440825 /nfs/dbraw/zinc/44/08/25/505440825.db2.gz DHWGHFHNDAPSNQ-GSPCLOLRSA-N 1 3 374.569 3.300 20 0 FGADHO Cc1cc(Cl)cc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000555564133 505458335 /nfs/dbraw/zinc/45/83/35/505458335.db2.gz GLKMDNNNJUDFER-FQEVSTJZSA-N 1 3 373.928 3.027 20 0 FGADHO CNC(=O)C[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000561962163 505479106 /nfs/dbraw/zinc/47/91/06/505479106.db2.gz RVNTTZSRZFIWQB-QIJUGHKUSA-N 1 3 365.521 3.364 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000567532280 505490491 /nfs/dbraw/zinc/49/04/91/505490491.db2.gz RQSDHJFKDXVQJS-IRFCIJBXSA-N 1 3 364.493 3.296 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000567680488 505534212 /nfs/dbraw/zinc/53/42/12/505534212.db2.gz CMGSJLHOCPLNGI-AERCQKQUSA-N 1 3 359.558 3.443 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564973356 505564760 /nfs/dbraw/zinc/56/47/60/505564760.db2.gz BPVLAONPIJOLPP-HNNXBMFYSA-N 1 3 372.465 3.050 20 0 FGADHO Oc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860927 506458651 /nfs/dbraw/zinc/45/86/51/506458651.db2.gz NCSATCJNKBHPBR-IFMALSPDSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860927 506458660 /nfs/dbraw/zinc/45/86/60/506458660.db2.gz NCSATCJNKBHPBR-IFMALSPDSA-N 1 3 352.478 3.126 20 0 FGADHO COC(=O)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000589193449 506477511 /nfs/dbraw/zinc/47/75/11/506477511.db2.gz GTPDJDUZQPCDLE-UHFFFAOYSA-N 1 3 368.477 3.238 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217234 506488058 /nfs/dbraw/zinc/48/80/58/506488058.db2.gz DTADQHCYEUZDIX-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217234 506488063 /nfs/dbraw/zinc/48/80/63/506488063.db2.gz DTADQHCYEUZDIX-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO COC(=O)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCCC1 ZINC000612404531 506566775 /nfs/dbraw/zinc/56/67/75/506566775.db2.gz POJJBCYAQWXKLU-UHFFFAOYSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645612 506646178 /nfs/dbraw/zinc/64/61/78/506646178.db2.gz QAKDVLUUKLHNTL-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[N@H+](CCN1CCN(c2ccnc3ccccc32)CC1)Cc1ccccc1 ZINC000599884264 506696324 /nfs/dbraw/zinc/69/63/24/506696324.db2.gz CWKHCZBPQBOJDF-UHFFFAOYSA-N 1 3 360.505 3.489 20 0 FGADHO C[N@@H+](CCN1CCN(c2ccnc3ccccc32)CC1)Cc1ccccc1 ZINC000599884264 506696330 /nfs/dbraw/zinc/69/63/30/506696330.db2.gz CWKHCZBPQBOJDF-UHFFFAOYSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@H](CNC(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112288 506718308 /nfs/dbraw/zinc/71/83/08/506718308.db2.gz SMQCXFBCEHBARD-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000604179042 506739593 /nfs/dbraw/zinc/73/95/93/506739593.db2.gz ANHODMGKKUNDSL-UXHICEINSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000604179042 506739594 /nfs/dbraw/zinc/73/95/94/506739594.db2.gz ANHODMGKKUNDSL-UXHICEINSA-N 1 3 374.573 3.189 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604183028 506740983 /nfs/dbraw/zinc/74/09/83/506740983.db2.gz ULRIXFXQKNVCST-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCCN(C(C)C)CC1)[NH+]1CCCC1 ZINC000590154375 506751565 /nfs/dbraw/zinc/75/15/65/506751565.db2.gz FDIBJEKKMVHWME-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000583657187 506898257 /nfs/dbraw/zinc/89/82/57/506898257.db2.gz CMJKPKNSCZOAJS-HXUWFJFHSA-N 1 3 354.542 3.469 20 0 FGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604656140 506902743 /nfs/dbraw/zinc/90/27/43/506902743.db2.gz CYIFTPMVNDXWJB-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604656140 506902749 /nfs/dbraw/zinc/90/27/49/506902749.db2.gz CYIFTPMVNDXWJB-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO CC(C)[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089723 506934490 /nfs/dbraw/zinc/93/44/90/506934490.db2.gz SDMNEUKVKZIFBG-VQTJNVASSA-N 1 3 364.578 3.013 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3ccco3)CC2)CC1 ZINC000604814305 506953771 /nfs/dbraw/zinc/95/37/71/506953771.db2.gz CIYBRGUJMCZATP-LJQANCHMSA-N 1 3 374.529 3.075 20 0 FGADHO CC(C)(C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000584048846 507123201 /nfs/dbraw/zinc/12/32/01/507123201.db2.gz LKBJECHAZMPGMR-KRWDZBQOSA-N 1 3 358.448 3.320 20 0 FGADHO O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000584111017 507157531 /nfs/dbraw/zinc/15/75/31/507157531.db2.gz GWFUJQURXGLHQU-SFTDATJTSA-N 1 3 355.526 3.163 20 0 FGADHO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000605398537 507174103 /nfs/dbraw/zinc/17/41/03/507174103.db2.gz PTJYXTGHMPHPQV-QFIPXVFZSA-N 1 3 372.472 3.251 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000605398537 507174111 /nfs/dbraw/zinc/17/41/11/507174111.db2.gz PTJYXTGHMPHPQV-QFIPXVFZSA-N 1 3 372.472 3.251 20 0 FGADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CC[NH+](C)C)CC1 ZINC000605423061 507186537 /nfs/dbraw/zinc/18/65/37/507186537.db2.gz WLNKLQUTAWKQNA-HJMJHHSWSA-N 1 3 361.574 3.124 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000584323905 507279005 /nfs/dbraw/zinc/27/90/05/507279005.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000584323905 507279014 /nfs/dbraw/zinc/27/90/14/507279014.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346390 507341174 /nfs/dbraw/zinc/34/11/74/507341174.db2.gz DUHAZQNJPOGUPX-HXUWFJFHSA-N 1 3 364.578 3.158 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360888 507374734 /nfs/dbraw/zinc/37/47/34/507374734.db2.gz YLSNMCIZYFPDNO-CDDKBXLESA-N 1 3 357.542 3.355 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360888 507374740 /nfs/dbraw/zinc/37/47/40/507374740.db2.gz YLSNMCIZYFPDNO-CDDKBXLESA-N 1 3 357.542 3.355 20 0 FGADHO Cc1cccc(OC[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000584585359 507426859 /nfs/dbraw/zinc/42/68/59/507426859.db2.gz AFWUDOOTPAKTNW-NRFANRHFSA-N 1 3 354.494 3.120 20 0 FGADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660225 507471982 /nfs/dbraw/zinc/47/19/82/507471982.db2.gz YEPXZIVGPJFHGM-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542055 /nfs/dbraw/zinc/54/20/55/507542055.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542061 /nfs/dbraw/zinc/54/20/61/507542061.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO COC(=O)c1cc2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)ccc2o1 ZINC000595900153 507733894 /nfs/dbraw/zinc/73/38/94/507733894.db2.gz AAEKPQSRNVMBMU-KRWDZBQOSA-N 1 3 356.466 3.431 20 0 FGADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000637137966 568439400 /nfs/dbraw/zinc/43/94/00/568439400.db2.gz WALYTUBBZJAJIB-MJGOQNOKSA-N 1 3 360.546 3.194 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798673 700660152 /nfs/dbraw/zinc/66/01/52/700660152.db2.gz HUTLIRYEDRDRPH-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCCN(C)C ZINC000134661190 704829419 /nfs/dbraw/zinc/82/94/19/704829419.db2.gz YACXKICSTHAWGM-AWEZNQCLSA-N 1 3 350.507 3.017 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665518 713655864 /nfs/dbraw/zinc/65/58/64/713655864.db2.gz MFQBKHOAIGVYSE-YLJYHZDGSA-N 1 3 353.551 3.344 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786941 713714284 /nfs/dbraw/zinc/71/42/84/713714284.db2.gz HUTLIRYEDRDRPH-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851901 714152117 /nfs/dbraw/zinc/15/21/17/714152117.db2.gz QAHVNXKXBGCVHV-MRXNPFEDSA-N 1 3 351.560 3.360 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094812 714218149 /nfs/dbraw/zinc/21/81/49/714218149.db2.gz HTJRFYWWOPUQEB-MRXNPFEDSA-N 1 3 366.575 3.063 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579931719 714500868 /nfs/dbraw/zinc/50/08/68/714500868.db2.gz MTGCQZGSWIQRSP-MCIONIFRSA-N 1 3 357.420 3.400 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)oc2ccccc21 ZINC000617502336 714662724 /nfs/dbraw/zinc/66/27/24/714662724.db2.gz LYPVNPKBOCDOEB-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)oc2ccccc21 ZINC000617502336 714662728 /nfs/dbraw/zinc/66/27/28/714662728.db2.gz LYPVNPKBOCDOEB-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377011 715321310 /nfs/dbraw/zinc/32/13/10/715321310.db2.gz KWSNLOYXJJOXKX-LBPRGKRZSA-N 1 3 355.276 3.140 20 0 FGADHO Brc1sccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000623562440 715361468 /nfs/dbraw/zinc/36/14/68/715361468.db2.gz RSRUETRBLKYZHP-UHFFFAOYSA-N 1 3 373.360 3.491 20 0 FGADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000623564141 715362041 /nfs/dbraw/zinc/36/20/41/715362041.db2.gz SYEPJFWFNDPYEC-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000623564141 715362049 /nfs/dbraw/zinc/36/20/49/715362049.db2.gz SYEPJFWFNDPYEC-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO CN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)CC(F)F ZINC000624329107 715512669 /nfs/dbraw/zinc/51/26/69/715512669.db2.gz MGJZRLZMDRNZES-IPMKNSEASA-N 1 3 351.485 3.216 20 0 FGADHO CN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)CC(F)F ZINC000624329107 715512676 /nfs/dbraw/zinc/51/26/76/715512676.db2.gz MGJZRLZMDRNZES-IPMKNSEASA-N 1 3 351.485 3.216 20 0 FGADHO C[NH2+]CCOCCN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629571999 716311180 /nfs/dbraw/zinc/31/11/80/716311180.db2.gz LQUYKSSCHOIDRB-UHFFFAOYSA-N 1 3 358.326 3.392 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648437168 718426769 /nfs/dbraw/zinc/42/67/69/718426769.db2.gz QZDTVKRGPBSIAJ-KBPBESRZSA-N 1 3 351.878 3.460 20 0 FGADHO Clc1cnc(OCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655733853 719331642 /nfs/dbraw/zinc/33/16/42/719331642.db2.gz SZWNRWMRSVHSFD-HNNXBMFYSA-N 1 3 374.312 3.000 20 0 FGADHO CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637350 720793842 /nfs/dbraw/zinc/79/38/42/720793842.db2.gz AKTDHHMKTXJGPR-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637350 720793844 /nfs/dbraw/zinc/79/38/44/720793844.db2.gz AKTDHHMKTXJGPR-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CSc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667230069 721058869 /nfs/dbraw/zinc/05/88/69/721058869.db2.gz IJBADXLVNVBEQG-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO CSc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667230069 721058874 /nfs/dbraw/zinc/05/88/74/721058874.db2.gz IJBADXLVNVBEQG-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600160 721966687 /nfs/dbraw/zinc/96/66/87/721966687.db2.gz JMUJUELSLKRDHJ-CGTJXYLNSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600160 721966688 /nfs/dbraw/zinc/96/66/88/721966688.db2.gz JMUJUELSLKRDHJ-CGTJXYLNSA-N 1 3 356.432 3.073 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563868 722415915 /nfs/dbraw/zinc/41/59/15/722415915.db2.gz YIOBOJVMGIKLFX-ROUUACIJSA-N 1 3 353.551 3.486 20 0 FGADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047066 722949698 /nfs/dbraw/zinc/94/96/98/722949698.db2.gz DRQDVXXRERREQB-RCCFBDPRSA-N 1 3 353.551 3.344 20 0 FGADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000790749131 723173419 /nfs/dbraw/zinc/17/34/19/723173419.db2.gz CXWSHUWLCUXDLD-HOTGVXAUSA-N 1 3 360.489 3.455 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621014 724011770 /nfs/dbraw/zinc/01/17/70/724011770.db2.gz GXHMXTGEHRMGDC-XMTFNYHQSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621014 724011772 /nfs/dbraw/zinc/01/17/72/724011772.db2.gz GXHMXTGEHRMGDC-XMTFNYHQSA-N 1 3 353.551 3.390 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085722 727345864 /nfs/dbraw/zinc/34/58/64/727345864.db2.gz WDHHSVWCEJYLAN-FZKQIMNGSA-N 1 3 373.324 3.117 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135447 727350980 /nfs/dbraw/zinc/35/09/80/727350980.db2.gz XDHIZFPEAHIDAS-XJKCOSOUSA-N 1 3 359.283 3.084 20 0 FGADHO C[C@H](CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)N1CCCCC1 ZINC000824153378 729321687 /nfs/dbraw/zinc/32/16/87/729321687.db2.gz JGDQOQWYTRYKTJ-UWVAXJGDSA-N 1 3 351.535 3.098 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104018 729424424 /nfs/dbraw/zinc/42/44/24/729424424.db2.gz UHWNERIQLPKQDS-PBHICJAKSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104018 729424425 /nfs/dbraw/zinc/42/44/25/729424425.db2.gz UHWNERIQLPKQDS-PBHICJAKSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(CCC(C)(C)C)CC2)cc(Cl)n1 ZINC000827510006 729431117 /nfs/dbraw/zinc/43/11/17/729431117.db2.gz STHGZFDPXFMOTC-MRXNPFEDSA-N 1 3 366.937 3.014 20 0 FGADHO Cn1nc(C(F)(F)F)c(CNCC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000827843949 729435877 /nfs/dbraw/zinc/43/58/77/729435877.db2.gz HZDIBGWAHRUBPE-UHFFFAOYSA-N 1 3 364.843 3.304 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000828049290 729439185 /nfs/dbraw/zinc/43/91/85/729439185.db2.gz QPIFBAHEGVMNIG-IRXDYDNUSA-N 1 3 366.937 3.204 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000828049290 729439186 /nfs/dbraw/zinc/43/91/86/729439186.db2.gz QPIFBAHEGVMNIG-IRXDYDNUSA-N 1 3 366.937 3.204 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831412774 729640592 /nfs/dbraw/zinc/64/05/92/729640592.db2.gz XMXSREMFMJIFMH-KRWDZBQOSA-N 1 3 368.953 3.260 20 0 FGADHO NC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)C1CCCCC1 ZINC000842476042 730507239 /nfs/dbraw/zinc/50/72/39/730507239.db2.gz FDIJBSLTRILOIJ-CQSZACIVSA-N 1 3 357.470 3.437 20 0 FGADHO CC(C)(C)c1nc(CN2CCN(CCCCCCC[NH3+])CC2)cs1 ZINC000844221483 730693231 /nfs/dbraw/zinc/69/32/31/730693231.db2.gz FIWPQVJRPAUGCN-UHFFFAOYSA-N 1 3 352.592 3.467 20 0 FGADHO C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCN(C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482247 732840219 /nfs/dbraw/zinc/84/02/19/732840219.db2.gz FVKKEYPLSYVKHJ-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436132 733201210 /nfs/dbraw/zinc/20/12/10/733201210.db2.gz UWKPLGWFYVZQEK-KBPBESRZSA-N 1 3 367.456 3.152 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436132 733201212 /nfs/dbraw/zinc/20/12/12/733201212.db2.gz UWKPLGWFYVZQEK-KBPBESRZSA-N 1 3 367.456 3.152 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230737 733326766 /nfs/dbraw/zinc/32/67/66/733326766.db2.gz APQWSFQAQSQZDA-CQSZACIVSA-N 1 3 350.894 3.159 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000866546994 733364347 /nfs/dbraw/zinc/36/43/47/733364347.db2.gz PNKSYVKNHMAARK-WOVMCDHWSA-N 1 3 351.535 3.286 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289926 735747037 /nfs/dbraw/zinc/74/70/37/735747037.db2.gz MIJXJJQXOYUIOZ-VXGBXAGGSA-N 1 3 359.333 3.320 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000876722809 736136534 /nfs/dbraw/zinc/13/65/34/736136534.db2.gz FNHXDZYWUWBXTI-HUUCEWRRSA-N 1 3 371.428 3.186 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516873 740011241 /nfs/dbraw/zinc/01/12/41/740011241.db2.gz QBKPOVNMTUJXFN-RRFJBIMHSA-N 1 3 352.441 3.217 20 0 FGADHO F[C@@H]1CC2(CC[C@H]1NC[C@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737784 740038898 /nfs/dbraw/zinc/03/88/98/740038898.db2.gz KRISXJHTQHYMCQ-KBAYOESNSA-N 1 3 368.518 3.183 20 0 FGADHO F[C@@H]1CC2(CC[C@H]1NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737784 740038904 /nfs/dbraw/zinc/03/89/04/740038904.db2.gz KRISXJHTQHYMCQ-KBAYOESNSA-N 1 3 368.518 3.183 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@H]1C(F)(F)F ZINC000893094415 742109003 /nfs/dbraw/zinc/10/90/03/742109003.db2.gz JQTMHSPNFHGMFD-YIDVYQOGSA-N 1 3 364.452 3.359 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@H]1C(F)(F)F ZINC000895587365 742429966 /nfs/dbraw/zinc/42/99/66/742429966.db2.gz QBJJSHZDJLZRPY-CAOSSQGBSA-N 1 3 364.452 3.218 20 0 FGADHO C[C@@H](CN(C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682481 742439287 /nfs/dbraw/zinc/43/92/87/742439287.db2.gz FBBDLTKEZXMHPA-SFHVURJKSA-N 1 3 366.571 3.392 20 0 FGADHO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338683 742670064 /nfs/dbraw/zinc/67/00/64/742670064.db2.gz WGLXNXHPVYYMQY-ZDUSSCGKSA-N 1 3 352.906 3.161 20 0 FGADHO COc1cccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1OC ZINC000903496778 743856348 /nfs/dbraw/zinc/85/63/48/743856348.db2.gz CVBFNSMAXXOQRU-ZIAGYGMSSA-N 1 3 361.511 3.244 20 0 FGADHO O=C(c1ccccc1Cl)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832963 743887162 /nfs/dbraw/zinc/88/71/62/743887162.db2.gz ULECMVQXEWDSFH-UZLBHIALSA-N 1 3 362.901 3.003 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394727 758913711 /nfs/dbraw/zinc/91/37/11/758913711.db2.gz SERXVTCKJTVSEF-MTNOOBJLSA-N 1 3 351.560 3.226 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394727 758913716 /nfs/dbraw/zinc/91/37/16/758913716.db2.gz SERXVTCKJTVSEF-MTNOOBJLSA-N 1 3 351.560 3.226 20 0 FGADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccsc1 ZINC000924657573 759368834 /nfs/dbraw/zinc/36/88/34/759368834.db2.gz HYEMOMGDNHUTKX-RAFMOHDBSA-N 1 3 365.587 3.362 20 0 FGADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccsc1 ZINC000924657573 759368846 /nfs/dbraw/zinc/36/88/46/759368846.db2.gz HYEMOMGDNHUTKX-RAFMOHDBSA-N 1 3 365.587 3.362 20 0 FGADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)C1(Br)CC1 ZINC000925222779 759463747 /nfs/dbraw/zinc/46/37/47/759463747.db2.gz SVHPQHVRYPDVER-CQSZACIVSA-N 1 3 367.331 3.049 20 0 FGADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(Br)CC1 ZINC000925222779 759463750 /nfs/dbraw/zinc/46/37/50/759463750.db2.gz SVHPQHVRYPDVER-CQSZACIVSA-N 1 3 367.331 3.049 20 0 FGADHO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925784473 759538134 /nfs/dbraw/zinc/53/81/34/759538134.db2.gz SBJUQDNILHAYIX-OTYXRUKQSA-N 1 3 363.221 3.410 20 0 FGADHO COc1cc(Br)cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000925832989 759554004 /nfs/dbraw/zinc/55/40/04/759554004.db2.gz YIACBYYCHQPWRZ-LLVKDONJSA-N 1 3 364.287 3.471 20 0 FGADHO O=C1O[C@H](CN[C@@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850580 759558400 /nfs/dbraw/zinc/55/84/00/759558400.db2.gz JPGWMIJUETZYRH-SWLSCSKDSA-N 1 3 366.914 3.152 20 0 FGADHO CC(C)[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853160 759559503 /nfs/dbraw/zinc/55/95/03/759559503.db2.gz FIFGDSXROZRTDB-YOEHRIQHSA-N 1 3 350.890 3.312 20 0 FGADHO FC(F)(F)[C@H]1CCC[C@H](CN2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762124 760451186 /nfs/dbraw/zinc/45/11/86/760451186.db2.gz DPAVEXHLRGTOIK-IAGOWNOFSA-N 1 3 364.452 3.063 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC[N@@H+]1C ZINC000968867167 762843629 /nfs/dbraw/zinc/84/36/29/762843629.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 1 3 363.468 3.030 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC[N@H+]1C ZINC000968867167 762843653 /nfs/dbraw/zinc/84/36/53/762843653.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 1 3 363.468 3.030 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CCN(C/C=C\Cl)CC3)C2)CC[N@@H+]1C ZINC001047243193 766632660 /nfs/dbraw/zinc/63/26/60/766632660.db2.gz XLTMUDFBSUNZER-WHBMQHHPSA-N 1 3 367.965 3.030 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CCN(C/C=C\Cl)CC3)C2)CC[N@H+]1C ZINC001047243193 766632665 /nfs/dbraw/zinc/63/26/65/766632665.db2.gz XLTMUDFBSUNZER-WHBMQHHPSA-N 1 3 367.965 3.030 20 0 FGADHO CC[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(CC)CC ZINC000573716060 505602987 /nfs/dbraw/zinc/60/29/87/505602987.db2.gz OCORFYIXGLRADH-AEFFLSMTSA-N 1 3 353.938 3.222 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746173 505609637 /nfs/dbraw/zinc/60/96/37/505609637.db2.gz PSJKFYPVVHFULD-PMACEKPBSA-N 1 3 360.567 3.258 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000573834252 505631753 /nfs/dbraw/zinc/63/17/53/505631753.db2.gz ULFOKJOIUWHLOD-MRXNPFEDSA-N 1 3 374.447 3.155 20 0 FGADHO CC(C)OC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000576980896 505637734 /nfs/dbraw/zinc/63/77/34/505637734.db2.gz YKJNJOOVNDJRFN-NRFANRHFSA-N 1 3 356.510 3.291 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000577146967 505672955 /nfs/dbraw/zinc/67/29/55/505672955.db2.gz VEPMEMXEBUXDIG-FUHWJXTLSA-N 1 3 351.560 3.422 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000047978700 493768440 /nfs/dbraw/zinc/76/84/40/493768440.db2.gz XIFUDSMTKBGEQH-SFHVURJKSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000047978700 493768443 /nfs/dbraw/zinc/76/84/43/493768443.db2.gz XIFUDSMTKBGEQH-SFHVURJKSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000047978711 493769700 /nfs/dbraw/zinc/76/97/00/493769700.db2.gz SHGPYYQLPFFLDE-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000047978711 493769703 /nfs/dbraw/zinc/76/97/03/493769703.db2.gz SHGPYYQLPFFLDE-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000048078015 493781928 /nfs/dbraw/zinc/78/19/28/493781928.db2.gz ARFZXFLRAIQYJZ-QFIPXVFZSA-N 1 3 367.537 3.431 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860578 493787509 /nfs/dbraw/zinc/78/75/09/493787509.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860578 493787510 /nfs/dbraw/zinc/78/75/10/493787510.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO Cc1ccc(OC[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000574071698 505687276 /nfs/dbraw/zinc/68/72/76/505687276.db2.gz JZPBOIDVFBTPMP-OAQYLSRUSA-N 1 3 354.494 3.120 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000060955693 493960981 /nfs/dbraw/zinc/96/09/81/493960981.db2.gz CYAYFOPWHXOJRM-HXUWFJFHSA-N 1 3 360.546 3.069 20 0 FGADHO CCn1c2ccccc2c2cc(C[NH2+]CC3(O)CCN(C)CC3)ccc21 ZINC000077450041 494085823 /nfs/dbraw/zinc/08/58/23/494085823.db2.gz TUGFZKRZDJEDCJ-UHFFFAOYSA-N 1 3 351.494 3.361 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC2CCCC2)CC1 ZINC000064021594 494102205 /nfs/dbraw/zinc/10/22/05/494102205.db2.gz RWOHQHTVAZPFRN-UHFFFAOYSA-N 1 3 357.542 3.198 20 0 FGADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361528 494116382 /nfs/dbraw/zinc/11/63/82/494116382.db2.gz GLUAQZJFASMCKE-ROUUACIJSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044377 494120093 /nfs/dbraw/zinc/12/00/93/494120093.db2.gz YXGXLTCGEJTIIL-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000077780501 494175938 /nfs/dbraw/zinc/17/59/38/494175938.db2.gz XJELSTSHGXOUNL-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072600164 494214861 /nfs/dbraw/zinc/21/48/61/494214861.db2.gz GWDQREPAGCUQIF-KDURUIRLSA-N 1 3 373.541 3.145 20 0 FGADHO CCC1(O)CCN(Cc2cccc(C[NH+]3CCC(O)(CC)CC3)c2)CC1 ZINC000072723798 494241192 /nfs/dbraw/zinc/24/11/92/494241192.db2.gz RXVRCBDIVPOIPS-UHFFFAOYSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512188 505712814 /nfs/dbraw/zinc/71/28/14/505712814.db2.gz OEJJBUNDUVWMCU-AEGPPILISA-N 1 3 370.324 3.102 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000073327698 494358786 /nfs/dbraw/zinc/35/87/86/494358786.db2.gz UCWVQBIQMAUTKF-FQEVSTJZSA-N 1 3 370.541 3.083 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000073666301 494409974 /nfs/dbraw/zinc/40/99/74/494409974.db2.gz XFCCODAAOCTAJG-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028624 494431724 /nfs/dbraw/zinc/43/17/24/494431724.db2.gz SKCQTTNKJYQGCT-QGZVFWFLSA-N 1 3 371.550 3.295 20 0 FGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000090121709 494444763 /nfs/dbraw/zinc/44/47/63/494444763.db2.gz RUACUFSQHQYJLS-OAHLLOKOSA-N 1 3 359.901 3.482 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000067062778 494466924 /nfs/dbraw/zinc/46/69/24/494466924.db2.gz XDTHYHROVXWWMR-SFHVURJKSA-N 1 3 360.546 3.012 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1F ZINC000090523334 494478014 /nfs/dbraw/zinc/47/80/14/494478014.db2.gz KGAXXMWJYNOUGM-JVPBZIDWSA-N 1 3 350.478 3.253 20 0 FGADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000090964760 494506535 /nfs/dbraw/zinc/50/65/35/494506535.db2.gz QFMJLBHWWYMHDY-QFBILLFUSA-N 1 3 370.493 3.290 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C(C)C ZINC000056783547 494562921 /nfs/dbraw/zinc/56/29/21/494562921.db2.gz RBKOKCBQPYTOFA-UHFFFAOYSA-N 1 3 366.525 3.018 20 0 FGADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC(=O)C1CC1 ZINC000092381103 494610660 /nfs/dbraw/zinc/61/06/60/494610660.db2.gz HDPMZNSAMOKIJL-UHFFFAOYSA-N 1 3 360.498 3.174 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166885 494621235 /nfs/dbraw/zinc/62/12/35/494621235.db2.gz HNGNQYSISDRFTB-RXVVDRJESA-N 1 3 372.557 3.212 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2ccc(F)cn2)CC1 ZINC000092739572 494733528 /nfs/dbraw/zinc/73/35/28/494733528.db2.gz KXKLWGOBZADLTO-KRWDZBQOSA-N 1 3 356.489 3.209 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116551184 494813174 /nfs/dbraw/zinc/81/31/74/494813174.db2.gz MKCBETNCGFGHOH-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116551184 494813178 /nfs/dbraw/zinc/81/31/78/494813178.db2.gz MKCBETNCGFGHOH-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN(C)CC2CC[NH+](C)CC2)c1 ZINC000093088758 494824783 /nfs/dbraw/zinc/82/47/83/494824783.db2.gz JLECZQBXTKMUSZ-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121755546 494853232 /nfs/dbraw/zinc/85/32/32/494853232.db2.gz ZJBJCYGUORNZHQ-HDYDNRTBSA-N 1 3 364.578 3.203 20 0 FGADHO Cc1cccn2c(=O)cc(CN3CCC(CCC[NH+]4CCCC4)CC3)nc12 ZINC000121830473 494869888 /nfs/dbraw/zinc/86/98/88/494869888.db2.gz OTZRAIOWJTXZFP-UHFFFAOYSA-N 1 3 368.525 3.091 20 0 FGADHO CC1(C)Cc2cccc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2O1 ZINC000093735005 494914928 /nfs/dbraw/zinc/91/49/28/494914928.db2.gz UAUXIRRJVHXKDN-UHFFFAOYSA-N 1 3 358.526 3.477 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000127291960 494923077 /nfs/dbraw/zinc/92/30/77/494923077.db2.gz PEIPOFNZBMHUIU-FXAWDEMLSA-N 1 3 372.557 3.212 20 0 FGADHO CC[NH+]1CCC(NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000127382928 494936971 /nfs/dbraw/zinc/93/69/71/494936971.db2.gz QEXQTJPWSRYEGO-UHFFFAOYSA-N 1 3 374.529 3.157 20 0 FGADHO CCN1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000127382928 494936972 /nfs/dbraw/zinc/93/69/72/494936972.db2.gz QEXQTJPWSRYEGO-UHFFFAOYSA-N 1 3 374.529 3.157 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000128001660 495029301 /nfs/dbraw/zinc/02/93/01/495029301.db2.gz YVYDBYKTMVUSAX-FCHUYYIVSA-N 1 3 365.521 3.147 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000128001660 495029304 /nfs/dbraw/zinc/02/93/04/495029304.db2.gz YVYDBYKTMVUSAX-FCHUYYIVSA-N 1 3 365.521 3.147 20 0 FGADHO OCC[C@H]1CCCCN1Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000111240082 495052855 /nfs/dbraw/zinc/05/28/55/495052855.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCCN1Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000111240082 495052859 /nfs/dbraw/zinc/05/28/59/495052859.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCC[N@H+]1Cc1ccccc1CN1CCCC[C@H]1CCO ZINC000111240082 495052860 /nfs/dbraw/zinc/05/28/60/495052860.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCC[N@@H+]1Cc1ccccc1CN1CCCC[C@H]1CCO ZINC000111240082 495052863 /nfs/dbraw/zinc/05/28/63/495052863.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000128155043 495053210 /nfs/dbraw/zinc/05/32/10/495053210.db2.gz AEVHMYCFQLKVPX-UHFFFAOYSA-N 1 3 351.494 3.014 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077215 /nfs/dbraw/zinc/07/72/15/495077215.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077220 /nfs/dbraw/zinc/07/72/20/495077220.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077226 /nfs/dbraw/zinc/07/72/26/495077226.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077231 /nfs/dbraw/zinc/07/72/31/495077231.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128678759 495134084 /nfs/dbraw/zinc/13/40/84/495134084.db2.gz RBFSTEUWGHZIBB-KRWDZBQOSA-N 1 3 361.530 3.117 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123713938 495175226 /nfs/dbraw/zinc/17/52/26/495175226.db2.gz MHGOGSVOZBZZGM-AVRDEDQJSA-N 1 3 352.526 3.143 20 0 FGADHO Cc1ccccc1[C@@H](C(C)C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357679 495179793 /nfs/dbraw/zinc/17/97/93/495179793.db2.gz LDOBAPZQHSEVRO-JOCHJYFZSA-N 1 3 357.542 3.367 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103311776 495218363 /nfs/dbraw/zinc/21/83/63/495218363.db2.gz NTTBNRCHUPZJLF-OAQYLSRUSA-N 1 3 372.557 3.163 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000135427252 495290795 /nfs/dbraw/zinc/29/07/95/495290795.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 1 3 374.573 3.450 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000135427252 495290798 /nfs/dbraw/zinc/29/07/98/495290798.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 1 3 374.573 3.450 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000113578031 495316070 /nfs/dbraw/zinc/31/60/70/495316070.db2.gz PUIFVYVGQTVTRE-UHFFFAOYSA-N 1 3 374.573 3.411 20 0 FGADHO CN(C(=O)NCCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000113592850 495318464 /nfs/dbraw/zinc/31/84/64/495318464.db2.gz UXLWNKHMLFSNKB-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCOc3ccccc32)(N2CCCCC2)CC1 ZINC000124725338 495333187 /nfs/dbraw/zinc/33/31/87/495333187.db2.gz FJYQBPPVNNXHIC-FQEVSTJZSA-N 1 3 357.542 3.440 20 0 FGADHO O=C(CN1CCCCC[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315158 495350438 /nfs/dbraw/zinc/35/04/38/495350438.db2.gz BCSJQOSIDALWFS-OAQYLSRUSA-N 1 3 355.526 3.347 20 0 FGADHO NC[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1 ZINC000571625306 505776259 /nfs/dbraw/zinc/77/62/59/505776259.db2.gz KUJPFEYWMIKRCG-NRFANRHFSA-N 1 3 366.509 3.013 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCOC1 ZINC000125334601 495428254 /nfs/dbraw/zinc/42/82/54/495428254.db2.gz GMXHKNTZKKVFQB-UNMCSNQZSA-N 1 3 359.558 3.302 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000125409535 495440215 /nfs/dbraw/zinc/44/02/15/495440215.db2.gz RFTMEXBLIQFFGY-WYNBGMTASA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)Cc1ccc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000107193513 495523325 /nfs/dbraw/zinc/52/33/25/495523325.db2.gz KSZNKPBQDYOZJI-UHFFFAOYSA-N 1 3 355.482 3.331 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438501 495563982 /nfs/dbraw/zinc/56/39/82/495563982.db2.gz QYYZEJZEBNQVJH-QGZVFWFLSA-N 1 3 354.922 3.194 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438501 495563986 /nfs/dbraw/zinc/56/39/86/495563986.db2.gz QYYZEJZEBNQVJH-QGZVFWFLSA-N 1 3 354.922 3.194 20 0 FGADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471813 495605358 /nfs/dbraw/zinc/60/53/58/495605358.db2.gz QEMDMRRLAQIRSC-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO CCc1cc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)ncn1 ZINC000159022955 495639421 /nfs/dbraw/zinc/63/94/21/495639421.db2.gz YBBUTINJBVQWSK-UHFFFAOYSA-N 1 3 371.573 3.395 20 0 FGADHO CCc1cc(N2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)ncn1 ZINC000159022955 495639424 /nfs/dbraw/zinc/63/94/24/495639424.db2.gz YBBUTINJBVQWSK-UHFFFAOYSA-N 1 3 371.573 3.395 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520449 495641637 /nfs/dbraw/zinc/64/16/37/495641637.db2.gz OAZJKXQOIXHZCR-KRWDZBQOSA-N 1 3 365.587 3.485 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662548 495668007 /nfs/dbraw/zinc/66/80/07/495668007.db2.gz HPHGWECGPKZWOY-BXWFABGCSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662548 495668014 /nfs/dbraw/zinc/66/80/14/495668014.db2.gz HPHGWECGPKZWOY-BXWFABGCSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185662548 495668021 /nfs/dbraw/zinc/66/80/21/495668021.db2.gz HPHGWECGPKZWOY-BXWFABGCSA-N 1 3 366.933 3.322 20 0 FGADHO COC(=O)c1cccc(OCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185692668 495682124 /nfs/dbraw/zinc/68/21/24/495682124.db2.gz JVPWWLPMFHNRJJ-WMZOPIPTSA-N 1 3 360.498 3.095 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719674 495696269 /nfs/dbraw/zinc/69/62/69/495696269.db2.gz CNXCTTLTEWITGR-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719674 495696271 /nfs/dbraw/zinc/69/62/71/495696271.db2.gz CNXCTTLTEWITGR-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719674 495696275 /nfs/dbraw/zinc/69/62/75/495696275.db2.gz CNXCTTLTEWITGR-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000182782155 495700184 /nfs/dbraw/zinc/70/01/84/495700184.db2.gz BBFHIQFEGMSOLZ-UHFFFAOYSA-N 1 3 356.514 3.029 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000150999951 495707592 /nfs/dbraw/zinc/70/75/92/495707592.db2.gz SEHVDDSZHHTYIW-AWEZNQCLSA-N 1 3 359.436 3.262 20 0 FGADHO COc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755577 495712383 /nfs/dbraw/zinc/71/23/83/495712383.db2.gz MXLINANZBFGRMP-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755577 495712390 /nfs/dbraw/zinc/71/23/90/495712390.db2.gz MXLINANZBFGRMP-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185755577 495712397 /nfs/dbraw/zinc/71/23/97/495712397.db2.gz MXLINANZBFGRMP-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151034771 495718016 /nfs/dbraw/zinc/71/80/16/495718016.db2.gz CSFJNBXHVCSRMT-GOSISDBHSA-N 1 3 368.525 3.473 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195096 495768329 /nfs/dbraw/zinc/76/83/29/495768329.db2.gz LERMQLYTIREVEL-OXQOHEQNSA-N 1 3 352.494 3.199 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045921 495812089 /nfs/dbraw/zinc/81/20/89/495812089.db2.gz WJQSEFRFHJKFTE-IBGZPJMESA-N 1 3 367.537 3.478 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118080 495825833 /nfs/dbraw/zinc/82/58/33/495825833.db2.gz PSCVQANIELDCDU-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183160059 495860479 /nfs/dbraw/zinc/86/04/79/495860479.db2.gz NIOQFGQOFDNZPC-SLFFLAALSA-N 1 3 357.542 3.039 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110839 495862636 /nfs/dbraw/zinc/86/26/36/495862636.db2.gz GUAQTQOZFSKUIC-IBGZPJMESA-N 1 3 368.569 3.341 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000155193126 495869371 /nfs/dbraw/zinc/86/93/71/495869371.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 1 3 355.526 3.227 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000155193126 495869376 /nfs/dbraw/zinc/86/93/76/495869376.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 1 3 355.526 3.227 20 0 FGADHO Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229716 495883814 /nfs/dbraw/zinc/88/38/14/495883814.db2.gz HEUYLGKFNPNHTD-OALUTQOASA-N 1 3 357.542 3.162 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259553 495885932 /nfs/dbraw/zinc/88/59/32/495885932.db2.gz JIUCQECJQQAJDB-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C3CCOCC3)CC2)cc1 ZINC000174266750 495888363 /nfs/dbraw/zinc/88/83/63/495888363.db2.gz IFIXNTQXROWXRJ-UHFFFAOYSA-N 1 3 365.521 3.277 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180168089 495889531 /nfs/dbraw/zinc/88/95/31/495889531.db2.gz FVVMZCTVRZRYIV-CISPJPAASA-N 1 3 366.553 3.468 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000174383650 495934593 /nfs/dbraw/zinc/93/45/93/495934593.db2.gz XMMJCZKGNYRMIF-QHAWAJNXSA-N 1 3 372.557 3.254 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000174383650 495934597 /nfs/dbraw/zinc/93/45/97/495934597.db2.gz XMMJCZKGNYRMIF-QHAWAJNXSA-N 1 3 372.557 3.254 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155744816 496054824 /nfs/dbraw/zinc/05/48/24/496054824.db2.gz WJGFHQOCYRCFIU-GJZGRUSLSA-N 1 3 359.436 3.262 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408641 496142483 /nfs/dbraw/zinc/14/24/83/496142483.db2.gz SNXNWZLJSAPHCF-DLBZAZTESA-N 1 3 354.498 3.134 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408641 496142487 /nfs/dbraw/zinc/14/24/87/496142487.db2.gz SNXNWZLJSAPHCF-DLBZAZTESA-N 1 3 354.498 3.134 20 0 FGADHO CN(CCc1cccc(OC(F)(F)F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000180934010 496205626 /nfs/dbraw/zinc/20/56/26/496205626.db2.gz CBSFQPWGMIXMAZ-UHFFFAOYSA-N 1 3 373.463 3.086 20 0 FGADHO CN(CCc1cccc(OC(F)(F)F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180934010 496205635 /nfs/dbraw/zinc/20/56/35/496205635.db2.gz CBSFQPWGMIXMAZ-UHFFFAOYSA-N 1 3 373.463 3.086 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000177843002 496219412 /nfs/dbraw/zinc/21/94/12/496219412.db2.gz SHLLUSFXJUAENP-QUCCMNQESA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000177843002 496219416 /nfs/dbraw/zinc/21/94/16/496219416.db2.gz SHLLUSFXJUAENP-QUCCMNQESA-N 1 3 360.546 3.053 20 0 FGADHO COc1ccc(OC)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000178034131 496298179 /nfs/dbraw/zinc/29/81/79/496298179.db2.gz OXAHTTPRAWSVII-ULQDDVLXSA-N 1 3 350.503 3.244 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000175325937 496340456 /nfs/dbraw/zinc/34/04/56/496340456.db2.gz ZOVXXEOTBHZOHN-UHFFFAOYSA-N 1 3 374.573 3.306 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000162567964 496374283 /nfs/dbraw/zinc/37/42/83/496374283.db2.gz QKNXNRLWAMLGPG-INIZCTEOSA-N 1 3 356.466 3.249 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1Cn1cccn1 ZINC000178256811 496389092 /nfs/dbraw/zinc/38/90/92/496389092.db2.gz DCXFHVMGZYELKT-KRWDZBQOSA-N 1 3 368.525 3.465 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184457494 496391480 /nfs/dbraw/zinc/39/14/80/496391480.db2.gz VIADOYOGMQTHEV-UHFFFAOYSA-N 1 3 359.518 3.327 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184457494 496391481 /nfs/dbraw/zinc/39/14/81/496391481.db2.gz VIADOYOGMQTHEV-UHFFFAOYSA-N 1 3 359.518 3.327 20 0 FGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181585967 496457514 /nfs/dbraw/zinc/45/75/14/496457514.db2.gz GARLKEJVWVKZJZ-VSKRKVRLSA-N 1 3 371.569 3.382 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCC2 ZINC000181707614 496511483 /nfs/dbraw/zinc/51/14/83/496511483.db2.gz JVPCDIOHDOFWLP-LEWJYISDSA-N 1 3 358.526 3.081 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691600 496530079 /nfs/dbraw/zinc/53/00/79/496530079.db2.gz FDNOSUTYAGOLHU-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691600 496530086 /nfs/dbraw/zinc/53/00/86/496530086.db2.gz FDNOSUTYAGOLHU-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153671131 496539505 /nfs/dbraw/zinc/53/95/05/496539505.db2.gz PPGSNPWODNXXJJ-KURKYZTESA-N 1 3 358.530 3.018 20 0 FGADHO C[C@@H](CC1CCOCC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163938014 496571632 /nfs/dbraw/zinc/57/16/32/496571632.db2.gz FFCUYCLKMMPHMC-NRFANRHFSA-N 1 3 373.585 3.379 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCCC2 ZINC000181860780 496575946 /nfs/dbraw/zinc/57/59/46/496575946.db2.gz OSBTWVQFOPOYBB-FCHUYYIVSA-N 1 3 372.553 3.471 20 0 FGADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000181861207 496575975 /nfs/dbraw/zinc/57/59/75/496575975.db2.gz WLNRYQPJAVHFQF-LEWJYISDSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000165317887 496654962 /nfs/dbraw/zinc/65/49/62/496654962.db2.gz UZSNQXIFYPQXLQ-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCC1 ZINC000165317887 496654963 /nfs/dbraw/zinc/65/49/63/496654963.db2.gz UZSNQXIFYPQXLQ-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000158238233 496658578 /nfs/dbraw/zinc/65/85/78/496658578.db2.gz UHGIXKGNAHXNDE-QGZVFWFLSA-N 1 3 371.447 3.171 20 0 FGADHO CN(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167669720 496704863 /nfs/dbraw/zinc/70/48/63/496704863.db2.gz GHOKALGSBKXGDT-LEWJYISDSA-N 1 3 357.542 3.407 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000185294014 496725293 /nfs/dbraw/zinc/72/52/93/496725293.db2.gz CQPOLUKWBHJVMF-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000191459165 496770552 /nfs/dbraw/zinc/77/05/52/496770552.db2.gz JDIJGFZLCPARCE-QFIPXVFZSA-N 1 3 359.558 3.084 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000191459165 496770554 /nfs/dbraw/zinc/77/05/54/496770554.db2.gz JDIJGFZLCPARCE-QFIPXVFZSA-N 1 3 359.558 3.084 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1cccn1 ZINC000268768032 496780103 /nfs/dbraw/zinc/78/01/03/496780103.db2.gz OOGBJMCKHONRST-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1cccn1 ZINC000268768032 496780106 /nfs/dbraw/zinc/78/01/06/496780106.db2.gz OOGBJMCKHONRST-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO OCC1(C[N@@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)COC1 ZINC000572000715 505866387 /nfs/dbraw/zinc/86/63/87/505866387.db2.gz GOKLFDOGEVFMQE-JOCHJYFZSA-N 1 3 372.553 3.152 20 0 FGADHO OCC1(C[N@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)COC1 ZINC000572000715 505866392 /nfs/dbraw/zinc/86/63/92/505866392.db2.gz GOKLFDOGEVFMQE-JOCHJYFZSA-N 1 3 372.553 3.152 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(OCC3CC3)cc2)C1 ZINC000191580989 496820510 /nfs/dbraw/zinc/82/05/10/496820510.db2.gz KZPKERVYJKYOCW-JOCHJYFZSA-N 1 3 366.505 3.332 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(OCC3CC3)cc2)C1 ZINC000191580989 496820517 /nfs/dbraw/zinc/82/05/17/496820517.db2.gz KZPKERVYJKYOCW-JOCHJYFZSA-N 1 3 366.505 3.332 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000191585088 496821810 /nfs/dbraw/zinc/82/18/10/496821810.db2.gz UTGRFLAPZSKNJW-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134452 496830897 /nfs/dbraw/zinc/83/08/97/496830897.db2.gz GDGJNBQPUYRTAG-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134452 496830901 /nfs/dbraw/zinc/83/09/01/496830901.db2.gz GDGJNBQPUYRTAG-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO C[NH+](C)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000247480595 496868343 /nfs/dbraw/zinc/86/83/43/496868343.db2.gz SPRWIBWPMJQWEC-QZTJIDSGSA-N 1 3 351.494 3.039 20 0 FGADHO C[NH+](C)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000247480602 496868888 /nfs/dbraw/zinc/86/88/88/496868888.db2.gz SPRWIBWPMJQWEC-ZWKOTPCHSA-N 1 3 351.494 3.039 20 0 FGADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000195341734 496895549 /nfs/dbraw/zinc/89/55/49/496895549.db2.gz UQJMURRCXYMZCA-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000247926059 496929270 /nfs/dbraw/zinc/92/92/70/496929270.db2.gz BPKYNMPBLQHKHR-AIANPOQGSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000247926059 496929272 /nfs/dbraw/zinc/92/92/72/496929272.db2.gz BPKYNMPBLQHKHR-AIANPOQGSA-N 1 3 366.347 3.346 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397332 496994560 /nfs/dbraw/zinc/99/45/60/496994560.db2.gz HYDIJNPXJDXMFD-BJESRGMDSA-N 1 3 372.553 3.462 20 0 FGADHO c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410868 497000946 /nfs/dbraw/zinc/00/09/46/497000946.db2.gz YPCYKCWHVFPUCA-UFGBVDADSA-N 1 3 350.510 3.157 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436017 497009830 /nfs/dbraw/zinc/00/98/30/497009830.db2.gz GBSTXZGQISLZAM-YLJYHZDGSA-N 1 3 353.510 3.170 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436017 497009836 /nfs/dbraw/zinc/00/98/36/497009836.db2.gz GBSTXZGQISLZAM-YLJYHZDGSA-N 1 3 353.510 3.170 20 0 FGADHO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248436670 497011994 /nfs/dbraw/zinc/01/19/94/497011994.db2.gz GKMHBVQJGOYVIM-QHAWAJNXSA-N 1 3 360.542 3.183 20 0 FGADHO CN1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734386 497092917 /nfs/dbraw/zinc/09/29/17/497092917.db2.gz NFVWWGKRWGRTNT-APWZRJJASA-N 1 3 361.555 3.122 20 0 FGADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390117 497097776 /nfs/dbraw/zinc/09/77/76/497097776.db2.gz ITUBEMIFWIHMPM-FPOVZHCZSA-N 1 3 353.510 3.004 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)N1CCCCC1 ZINC000569233011 505885321 /nfs/dbraw/zinc/88/53/21/505885321.db2.gz RWWZRIDDDVGKAQ-SJLPKXTDSA-N 1 3 354.922 3.072 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236656015 497127644 /nfs/dbraw/zinc/12/76/44/497127644.db2.gz FTAQLOHHQOOXHO-DYESRHJHSA-N 1 3 353.510 3.479 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236656015 497127648 /nfs/dbraw/zinc/12/76/48/497127648.db2.gz FTAQLOHHQOOXHO-DYESRHJHSA-N 1 3 353.510 3.479 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000236908656 497167169 /nfs/dbraw/zinc/16/71/69/497167169.db2.gz FUMMYXUNILZWJF-UTKZUKDTSA-N 1 3 353.510 3.481 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000249106328 497167247 /nfs/dbraw/zinc/16/72/47/497167247.db2.gz QLKUOURNUNAYQG-OPYAIIAOSA-N 1 3 352.563 3.139 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000236918467 497168930 /nfs/dbraw/zinc/16/89/30/497168930.db2.gz AGPCRSQFBNTKQG-DYESRHJHSA-N 1 3 353.510 3.481 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192684979 497184276 /nfs/dbraw/zinc/18/42/76/497184276.db2.gz IGSTZVAKJPVUEE-PXNSSMCTSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)Cc1ccccc1 ZINC000249281772 497185751 /nfs/dbraw/zinc/18/57/51/497185751.db2.gz KZKULHUHFXWAGW-KNKQGSTJSA-N 1 3 352.522 3.336 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866801 497186605 /nfs/dbraw/zinc/18/66/05/497186605.db2.gz DZQRWJGZMZKCRB-JBACZVJFSA-N 1 3 350.510 3.161 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866801 497186610 /nfs/dbraw/zinc/18/66/10/497186610.db2.gz DZQRWJGZMZKCRB-JBACZVJFSA-N 1 3 350.510 3.161 20 0 FGADHO C[N@H+](Cc1ccccc1NC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000237166907 497200850 /nfs/dbraw/zinc/20/08/50/497200850.db2.gz UJBUJQZYGWFGLF-IBGZPJMESA-N 1 3 359.514 3.158 20 0 FGADHO C[N@@H+](Cc1ccccc1NC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000237166907 497200857 /nfs/dbraw/zinc/20/08/57/497200857.db2.gz UJBUJQZYGWFGLF-IBGZPJMESA-N 1 3 359.514 3.158 20 0 FGADHO COc1cccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237282845 497214444 /nfs/dbraw/zinc/21/44/44/497214444.db2.gz BANIWTOSCXOPLI-NHCUHLMSSA-N 1 3 367.493 3.038 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192848431 497229154 /nfs/dbraw/zinc/22/91/54/497229154.db2.gz PRQBQEWWNUODCK-UXHICEINSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@@H](CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237401291 497230655 /nfs/dbraw/zinc/23/06/55/497230655.db2.gz HKAAOGSQNLHJSW-ROUUACIJSA-N 1 3 357.542 3.354 20 0 FGADHO [NH3+][C@H](CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000237933919 497315950 /nfs/dbraw/zinc/31/59/50/497315950.db2.gz NMUBLWLVHHKKFB-RTWAWAEBSA-N 1 3 351.494 3.420 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423340 497321482 /nfs/dbraw/zinc/32/14/82/497321482.db2.gz DRZUUWFXSGDAFR-HLRQEUIKSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423340 497321488 /nfs/dbraw/zinc/32/14/88/497321488.db2.gz DRZUUWFXSGDAFR-HLRQEUIKSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275606591 497380318 /nfs/dbraw/zinc/38/03/18/497380318.db2.gz HNUZDQMLJSGZGN-SFHVURJKSA-N 1 3 360.546 3.424 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275606591 497380324 /nfs/dbraw/zinc/38/03/24/497380324.db2.gz HNUZDQMLJSGZGN-SFHVURJKSA-N 1 3 360.546 3.424 20 0 FGADHO COc1ccccc1NC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000193469789 497387846 /nfs/dbraw/zinc/38/78/46/497387846.db2.gz JFUCERXQXWPCIU-UHFFFAOYSA-N 1 3 359.514 3.222 20 0 FGADHO Clc1ccc(CCN2CCN(CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000261656519 497428480 /nfs/dbraw/zinc/42/84/80/497428480.db2.gz BKDSOMNQKUWEKI-UHFFFAOYSA-N 1 3 356.341 3.153 20 0 FGADHO Cc1ccc2[nH]c(CN3CCC(C[NH+]4CCN(C)CC4)CC3)cc2c1C ZINC000575034288 505908208 /nfs/dbraw/zinc/90/82/08/505908208.db2.gz DXSZVBBUMPOGBF-UHFFFAOYSA-N 1 3 354.542 3.244 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000271830700 497463610 /nfs/dbraw/zinc/46/36/10/497463610.db2.gz QUESMYGXIZZPRE-QZTJIDSGSA-N 1 3 352.544 3.093 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCCC[C@H]1C ZINC000271830700 497463614 /nfs/dbraw/zinc/46/36/14/497463614.db2.gz QUESMYGXIZZPRE-QZTJIDSGSA-N 1 3 352.544 3.093 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332448 505909868 /nfs/dbraw/zinc/90/98/68/505909868.db2.gz ROIAUMWXBORHCI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332448 505909873 /nfs/dbraw/zinc/90/98/73/505909873.db2.gz ROIAUMWXBORHCI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332448 505909875 /nfs/dbraw/zinc/90/98/75/505909875.db2.gz ROIAUMWXBORHCI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729663 497519518 /nfs/dbraw/zinc/51/95/18/497519518.db2.gz QATBLEYKBBPXBP-MZADTFQBSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729663 497519522 /nfs/dbraw/zinc/51/95/22/497519522.db2.gz QATBLEYKBBPXBP-MZADTFQBSA-N 1 3 355.526 3.174 20 0 FGADHO CC(C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759896 497530600 /nfs/dbraw/zinc/53/06/00/497530600.db2.gz VKQQDVNHMYMNAX-BXXSPATCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759896 497530601 /nfs/dbraw/zinc/53/06/01/497530601.db2.gz VKQQDVNHMYMNAX-BXXSPATCSA-N 1 3 371.569 3.128 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1)C1CCN(C)CC1 ZINC000245765178 497532081 /nfs/dbraw/zinc/53/20/81/497532081.db2.gz QQDOWVAZWVXXPQ-SIKLNZKXSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1)C1CCN(C)CC1 ZINC000245765178 497532086 /nfs/dbraw/zinc/53/20/86/497532086.db2.gz QQDOWVAZWVXXPQ-SIKLNZKXSA-N 1 3 357.542 3.218 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262308792 497537122 /nfs/dbraw/zinc/53/71/22/497537122.db2.gz OTIDIALVPMHKIC-XLIJVUNUSA-N 1 3 357.542 3.386 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000276308914 497541604 /nfs/dbraw/zinc/54/16/04/497541604.db2.gz LQVCKSHUEISELN-UHFFFAOYSA-N 1 3 367.541 3.068 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000276308914 497541609 /nfs/dbraw/zinc/54/16/09/497541609.db2.gz LQVCKSHUEISELN-UHFFFAOYSA-N 1 3 367.541 3.068 20 0 FGADHO CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262357590 497544204 /nfs/dbraw/zinc/54/42/04/497544204.db2.gz JQHZDNMWFSFZEG-JBACZVJFSA-N 1 3 357.542 3.278 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276354445 497551627 /nfs/dbraw/zinc/55/16/27/497551627.db2.gz UUXBXEIGYQTXEJ-UHFFFAOYSA-N 1 3 354.498 3.174 20 0 FGADHO NC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc2ccccc2c1 ZINC000262481838 497562776 /nfs/dbraw/zinc/56/27/76/497562776.db2.gz ZPIKMMHBTKAHCP-HYUQFDPSSA-N 1 3 351.494 3.109 20 0 FGADHO NC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc2ccccc2c1 ZINC000262481839 497563440 /nfs/dbraw/zinc/56/34/40/497563440.db2.gz ZPIKMMHBTKAHCP-LWUIHUKISA-N 1 3 351.494 3.109 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272206566 497564594 /nfs/dbraw/zinc/56/45/94/497564594.db2.gz PLQPETLNVDZCHW-YLJYHZDGSA-N 1 3 372.534 3.090 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245916373 497570277 /nfs/dbraw/zinc/57/02/77/497570277.db2.gz WPFIXUADUBZION-CEXWTWQISA-N 1 3 366.571 3.197 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245916373 497570281 /nfs/dbraw/zinc/57/02/81/497570281.db2.gz WPFIXUADUBZION-CEXWTWQISA-N 1 3 366.571 3.197 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262651825 497592355 /nfs/dbraw/zinc/59/23/55/497592355.db2.gz JPMHMZVSCOUUMJ-UHFFFAOYSA-N 1 3 358.530 3.431 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373300 505920079 /nfs/dbraw/zinc/92/00/79/505920079.db2.gz POCOTVZTOHVYQN-GOEBONIOSA-N 1 3 364.534 3.317 20 0 FGADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000272538777 497655849 /nfs/dbraw/zinc/65/58/49/497655849.db2.gz CEYSSPCXFHLFDO-LPHOPBHVSA-N 1 3 370.493 3.410 20 0 FGADHO OCC[C@@H]1CCCCN1Cc1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000246252976 497674469 /nfs/dbraw/zinc/67/44/69/497674469.db2.gz PPAOJKKCWQTSON-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@@H]1CCCCN1Cc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000246252976 497674475 /nfs/dbraw/zinc/67/44/75/497674475.db2.gz PPAOJKKCWQTSON-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736571 497716738 /nfs/dbraw/zinc/71/67/38/497716738.db2.gz JURRQJUNMSECQB-OPAMFIHVSA-N 1 3 352.478 3.134 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736571 497716743 /nfs/dbraw/zinc/71/67/43/497716743.db2.gz JURRQJUNMSECQB-OPAMFIHVSA-N 1 3 352.478 3.134 20 0 FGADHO Cc1ccc(-c2ncc(CNCC3(O)CC[NH+](C(C)C)CC3)s2)cc1 ZINC000268402683 497742068 /nfs/dbraw/zinc/74/20/68/497742068.db2.gz DCXZQCFLBQENLO-UHFFFAOYSA-N 1 3 359.539 3.443 20 0 FGADHO Cc1c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231766 497750433 /nfs/dbraw/zinc/75/04/33/497750433.db2.gz FUROKOXQMWVRIV-IXDOHACOSA-N 1 3 350.551 3.487 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277170066 497764223 /nfs/dbraw/zinc/76/42/23/497764223.db2.gz RVSZFXNHBPFPHF-HNNXBMFYSA-N 1 3 369.347 3.063 20 0 FGADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560484 497774260 /nfs/dbraw/zinc/77/42/60/497774260.db2.gz LRJUBHXYLGRACW-FKBYEOEOSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560484 497774266 /nfs/dbraw/zinc/77/42/66/497774266.db2.gz LRJUBHXYLGRACW-FKBYEOEOSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560484 497774268 /nfs/dbraw/zinc/77/42/68/497774268.db2.gz LRJUBHXYLGRACW-FKBYEOEOSA-N 1 3 369.553 3.388 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246834161 497814776 /nfs/dbraw/zinc/81/47/76/497814776.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246834161 497814777 /nfs/dbraw/zinc/81/47/77/497814777.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924088 497820426 /nfs/dbraw/zinc/82/04/26/497820426.db2.gz GWEKSUDOLUTFHP-RGCMKSIDSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924088 497820427 /nfs/dbraw/zinc/82/04/27/497820427.db2.gz GWEKSUDOLUTFHP-RGCMKSIDSA-N 1 3 361.313 3.051 20 0 FGADHO OC1CCN(Cc2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000569446670 505937357 /nfs/dbraw/zinc/93/73/57/505937357.db2.gz IBBLBUPCEPUBNK-UHFFFAOYSA-N 1 3 366.509 3.119 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000578502959 505956271 /nfs/dbraw/zinc/95/62/71/505956271.db2.gz WXSFYDBQZISGSI-XOBRGWDASA-N 1 3 370.472 3.284 20 0 FGADHO C[C@@H]1CN(CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@@H](C)O1 ZINC000575319207 505960917 /nfs/dbraw/zinc/96/09/17/505960917.db2.gz MAXGZFSQNAWQEM-GGPKGHCWSA-N 1 3 367.578 3.070 20 0 FGADHO O=C(NCCCCCCC[NH+]1CCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289375145 498124869 /nfs/dbraw/zinc/12/48/69/498124869.db2.gz ARYBHRGCCYWBDB-UXHICEINSA-N 1 3 372.509 3.453 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000281431112 498148388 /nfs/dbraw/zinc/14/83/88/498148388.db2.gz SMUVBURTHHBFKM-UHFFFAOYSA-N 1 3 357.420 3.452 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000281431112 498148396 /nfs/dbraw/zinc/14/83/96/498148396.db2.gz SMUVBURTHHBFKM-UHFFFAOYSA-N 1 3 357.420 3.452 20 0 FGADHO C[N@H+](Cc1ccccc1)C1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000285645030 498158191 /nfs/dbraw/zinc/15/81/91/498158191.db2.gz LYVKLATZZPYJID-XVAXZDLZSA-N 1 3 351.494 3.246 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000285645030 498158195 /nfs/dbraw/zinc/15/81/95/498158195.db2.gz LYVKLATZZPYJID-XVAXZDLZSA-N 1 3 351.494 3.246 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517023 498178127 /nfs/dbraw/zinc/17/81/27/498178127.db2.gz HOBXHGJCUMRCGA-LEWJYISDSA-N 1 3 355.457 3.028 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517023 498178131 /nfs/dbraw/zinc/17/81/31/498178131.db2.gz HOBXHGJCUMRCGA-LEWJYISDSA-N 1 3 355.457 3.028 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905374 498191651 /nfs/dbraw/zinc/19/16/51/498191651.db2.gz GWJNDSKWIUKEKH-SFHVURJKSA-N 1 3 369.431 3.452 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905374 498191659 /nfs/dbraw/zinc/19/16/59/498191659.db2.gz GWJNDSKWIUKEKH-SFHVURJKSA-N 1 3 369.431 3.452 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289771709 498286306 /nfs/dbraw/zinc/28/63/06/498286306.db2.gz RISRGRGWXSCEOU-UXHICEINSA-N 1 3 370.493 3.204 20 0 FGADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000581547704 506012773 /nfs/dbraw/zinc/01/27/73/506012773.db2.gz RDTREGIWOFWPKS-HXUWFJFHSA-N 1 3 355.526 3.133 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345680 498371217 /nfs/dbraw/zinc/37/12/17/498371217.db2.gz FHVLDCVZMSHGLT-FMEUAVTJSA-N 1 3 350.453 3.336 20 0 FGADHO c1nn(-c2ccccc2)cc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601908 506025555 /nfs/dbraw/zinc/02/55/55/506025555.db2.gz WZXSNVVTEPZVHU-GMAHTHKFSA-N 1 3 374.488 3.260 20 0 FGADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826218 506025769 /nfs/dbraw/zinc/02/57/69/506025769.db2.gz RJHWYSJMMUMGHR-MAUKXSAKSA-N 1 3 371.447 3.203 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3cccc(O)c3)CC2)CC1 ZINC000581616602 506029166 /nfs/dbraw/zinc/02/91/66/506029166.db2.gz RMTHPPSSZZNUQO-QGZVFWFLSA-N 1 3 373.541 3.108 20 0 FGADHO FC(F)(F)c1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000297404314 498436939 /nfs/dbraw/zinc/43/69/39/498436939.db2.gz KSXMOKSIAHWFHA-UHFFFAOYSA-N 1 3 350.388 3.297 20 0 FGADHO Cc1cc(C)c(NC(=O)CNC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000297634694 498518902 /nfs/dbraw/zinc/51/89/02/498518902.db2.gz MEHRDOZZSRIFSW-UHFFFAOYSA-N 1 3 352.482 3.204 20 0 FGADHO CN(C)C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(F)cc1 ZINC000287033569 498598952 /nfs/dbraw/zinc/59/89/52/498598952.db2.gz FVVDXGSHTIMYGE-HXUWFJFHSA-N 1 3 372.488 3.354 20 0 FGADHO C[C@H]1CN(C(=O)Nc2ccccc2CCN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000297918420 498609101 /nfs/dbraw/zinc/60/91/01/498609101.db2.gz UOVAUTPGEBZXGJ-QGZVFWFLSA-N 1 3 358.530 3.129 20 0 FGADHO C[C@H]1CN(C(=O)Nc2ccccc2CCN(C)C)CC[N@H+](C2CCC2)C1 ZINC000297918420 498609107 /nfs/dbraw/zinc/60/91/07/498609107.db2.gz UOVAUTPGEBZXGJ-QGZVFWFLSA-N 1 3 358.530 3.129 20 0 FGADHO Cc1cc(N2CCN(C)CC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297931573 498613574 /nfs/dbraw/zinc/61/35/74/498613574.db2.gz UPCBSDSBBURWQW-UHFFFAOYSA-N 1 3 365.525 3.223 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000363055949 498625392 /nfs/dbraw/zinc/62/53/92/498625392.db2.gz OVQVXNPCUBBIFW-NRFANRHFSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000363055949 498625398 /nfs/dbraw/zinc/62/53/98/498625398.db2.gz OVQVXNPCUBBIFW-NRFANRHFSA-N 1 3 365.521 3.043 20 0 FGADHO OC1CCN(Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298000772 498634426 /nfs/dbraw/zinc/63/44/26/498634426.db2.gz ZMBWMSXZGVEGKM-UHFFFAOYSA-N 1 3 366.509 3.119 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1)C(C)C ZINC000294354900 498667663 /nfs/dbraw/zinc/66/76/63/498667663.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1)C(C)C ZINC000294354900 498667670 /nfs/dbraw/zinc/66/76/70/498667670.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889249 506076204 /nfs/dbraw/zinc/07/62/04/506076204.db2.gz FVBDGVIZEQMSHD-IRXDYDNUSA-N 1 3 353.510 3.466 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469403 498701636 /nfs/dbraw/zinc/70/16/36/498701636.db2.gz GSODKTDMOAOPID-ZBFHGGJFSA-N 1 3 370.335 3.071 20 0 FGADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298260374 498712532 /nfs/dbraw/zinc/71/25/32/498712532.db2.gz FLURLJMTUKIPSC-MRXNPFEDSA-N 1 3 353.466 3.390 20 0 FGADHO C[C@@H](O)c1cnc(CNCC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000366024601 498740233 /nfs/dbraw/zinc/74/02/33/498740233.db2.gz SHKITACAQSZEHK-CQSZACIVSA-N 1 3 363.502 3.337 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H](N2CCCCC2)C1 ZINC000363392074 498796794 /nfs/dbraw/zinc/79/67/94/498796794.db2.gz CLCHHAKIKDRSCV-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CCc1cccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000576168734 506092253 /nfs/dbraw/zinc/09/22/53/506092253.db2.gz ZLMWZUIXQBFXBC-KDURUIRLSA-N 1 3 360.542 3.449 20 0 FGADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000581934293 506094093 /nfs/dbraw/zinc/09/40/93/506094093.db2.gz FPEXPGOAFIQDJX-QFIPXVFZSA-N 1 3 369.557 3.100 20 0 FGADHO CN1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324459 498874904 /nfs/dbraw/zinc/87/49/04/498874904.db2.gz AXZPMEWSEVEKRG-LPHOPBHVSA-N 1 3 351.922 3.358 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366345461 498884176 /nfs/dbraw/zinc/88/41/76/498884176.db2.gz IYONORBJDARNKM-KXBFYZLASA-N 1 3 357.523 3.165 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000291332002 498898248 /nfs/dbraw/zinc/89/82/48/498898248.db2.gz AJZAURZSECXHQM-SFHVURJKSA-N 1 3 365.525 3.261 20 0 FGADHO Cc1ccccc1[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000299482590 499072402 /nfs/dbraw/zinc/07/24/02/499072402.db2.gz GAYJULMNDFGFGL-SFHVURJKSA-N 1 3 372.557 3.256 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000284451459 499109358 /nfs/dbraw/zinc/10/93/58/499109358.db2.gz UJERVRGIKLZGJE-NJDAHSKKSA-N 1 3 358.526 3.453 20 0 FGADHO Cc1ccc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000367027594 499136253 /nfs/dbraw/zinc/13/62/53/499136253.db2.gz GGJOUXVTUNTGMU-IRLDBZIGSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367029917 499136334 /nfs/dbraw/zinc/13/63/34/499136334.db2.gz OGTWCDWEFHIRTM-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367029917 499136336 /nfs/dbraw/zinc/13/63/36/499136336.db2.gz OGTWCDWEFHIRTM-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1CN(CCSc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367029917 499136338 /nfs/dbraw/zinc/13/63/38/499136338.db2.gz OGTWCDWEFHIRTM-LPHOPBHVSA-N 1 3 367.990 3.390 20 0 FGADHO CN(Cc1cnoc1C1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000367373476 499190697 /nfs/dbraw/zinc/19/06/97/499190697.db2.gz YTDGVLAIDAMOBF-OAQYLSRUSA-N 1 3 369.509 3.429 20 0 FGADHO CN(CC[C@@H]1CCC[N@@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192227 /nfs/dbraw/zinc/19/22/27/499192227.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 1 3 358.530 3.347 20 0 FGADHO CN(CC[C@@H]1CCC[N@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192228 /nfs/dbraw/zinc/19/22/28/499192228.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 1 3 358.530 3.347 20 0 FGADHO C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000367433103 499198456 /nfs/dbraw/zinc/19/84/56/499198456.db2.gz SQVVIXZUMODIGC-UHFFFAOYSA-N 1 3 368.468 3.406 20 0 FGADHO C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000367433103 499198457 /nfs/dbraw/zinc/19/84/57/499198457.db2.gz SQVVIXZUMODIGC-UHFFFAOYSA-N 1 3 368.468 3.406 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636891 499238429 /nfs/dbraw/zinc/23/84/29/499238429.db2.gz SLDDWLSHAIDRHL-HOCLYGCPSA-N 1 3 353.457 3.107 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250183 /nfs/dbraw/zinc/25/01/83/499250183.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 1 3 373.504 3.426 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250185 /nfs/dbraw/zinc/25/01/85/499250185.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 1 3 373.504 3.426 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368047057 499259094 /nfs/dbraw/zinc/25/90/94/499259094.db2.gz SHFPCKYHLVLTJL-KRWDZBQOSA-N 1 3 351.535 3.240 20 0 FGADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155535 499269535 /nfs/dbraw/zinc/26/95/35/499269535.db2.gz OTDVJDBLBQJYOG-ICSRJNTNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155535 499269538 /nfs/dbraw/zinc/26/95/38/499269538.db2.gz OTDVJDBLBQJYOG-ICSRJNTNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421218 499293985 /nfs/dbraw/zinc/29/39/85/499293985.db2.gz BZJFPIDSXLHHHO-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421218 499293987 /nfs/dbraw/zinc/29/39/87/499293987.db2.gz BZJFPIDSXLHHHO-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368421218 499293988 /nfs/dbraw/zinc/29/39/88/499293988.db2.gz BZJFPIDSXLHHHO-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO Cc1ccc2cc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930382 499347723 /nfs/dbraw/zinc/34/77/23/499347723.db2.gz KYGNWDDUXVTNDQ-HTAPYJJXSA-N 1 3 352.526 3.001 20 0 FGADHO CCCN1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000369042294 499359660 /nfs/dbraw/zinc/35/96/60/499359660.db2.gz UDBNCCJPSDVOQF-NRFANRHFSA-N 1 3 363.590 3.360 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000369449700 499404597 /nfs/dbraw/zinc/40/45/97/499404597.db2.gz XPSITIRZRNLADC-GHTZIAJQSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515170 499411238 /nfs/dbraw/zinc/41/12/38/499411238.db2.gz HQMUKSDWYZBQPU-HHXXYDBFSA-N 1 3 374.554 3.128 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515170 499411239 /nfs/dbraw/zinc/41/12/39/499411239.db2.gz HQMUKSDWYZBQPU-HHXXYDBFSA-N 1 3 374.554 3.128 20 0 FGADHO CC1CCC([NH+]2CCC(N(C)C(=O)C3CCN(C4CC4)CC3)CC2)CC1 ZINC000373204445 499457231 /nfs/dbraw/zinc/45/72/31/499457231.db2.gz NWKLGKOQPJYJDB-UHFFFAOYSA-N 1 3 361.574 3.362 20 0 FGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511991 /nfs/dbraw/zinc/51/19/91/499511991.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@H+]1CCC[C@@H]1CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511992 /nfs/dbraw/zinc/51/19/92/499511992.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 1 3 351.535 3.194 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622934 499542358 /nfs/dbraw/zinc/54/23/58/499542358.db2.gz HOUMROKIOJSUNH-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622934 499542359 /nfs/dbraw/zinc/54/23/59/499542359.db2.gz HOUMROKIOJSUNH-BAGYTPMASA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccnc([C@@H](C)[NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781896 499555401 /nfs/dbraw/zinc/55/54/01/499555401.db2.gz BZPJJCXVVUXXRT-XMSQKQJNSA-N 1 3 353.510 3.486 20 0 FGADHO Cc1ccnc([C@@H](C)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781896 499555402 /nfs/dbraw/zinc/55/54/02/499555402.db2.gz BZPJJCXVVUXXRT-XMSQKQJNSA-N 1 3 353.510 3.486 20 0 FGADHO C[C@@H](Cc1ccccc1F)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397529917 499564117 /nfs/dbraw/zinc/56/41/17/499564117.db2.gz YUQIPNNDHGILNU-SFHVURJKSA-N 1 3 356.485 3.373 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN3CCCCC3)cc2)C1 ZINC000410366276 499657741 /nfs/dbraw/zinc/65/77/41/499657741.db2.gz GTOITMBXSNKISM-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCN3CCCCC3)cc2)C1 ZINC000410366276 499657743 /nfs/dbraw/zinc/65/77/43/499657743.db2.gz GTOITMBXSNKISM-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO O=C(NCC1CC1)[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179218 499707344 /nfs/dbraw/zinc/70/73/44/499707344.db2.gz ZWMKZNMCARLCES-JOCHJYFZSA-N 1 3 369.553 3.411 20 0 FGADHO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411179218 499707345 /nfs/dbraw/zinc/70/73/45/499707345.db2.gz ZWMKZNMCARLCES-JOCHJYFZSA-N 1 3 369.553 3.411 20 0 FGADHO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411179218 499707347 /nfs/dbraw/zinc/70/73/47/499707347.db2.gz ZWMKZNMCARLCES-JOCHJYFZSA-N 1 3 369.553 3.411 20 0 FGADHO COCCC1(C[N@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000377617226 499711193 /nfs/dbraw/zinc/71/11/93/499711193.db2.gz AGZRHYNPVCSNOF-FQEVSTJZSA-N 1 3 351.579 3.074 20 0 FGADHO COCCC1(C[N@@H+](C)[C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000377617226 499711195 /nfs/dbraw/zinc/71/11/95/499711195.db2.gz AGZRHYNPVCSNOF-FQEVSTJZSA-N 1 3 351.579 3.074 20 0 FGADHO c1cc(CN2CCN(CC3CCOCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411273563 499720270 /nfs/dbraw/zinc/72/02/70/499720270.db2.gz HZLSLIROMBRPDJ-UHFFFAOYSA-N 1 3 371.569 3.217 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000377763201 499730293 /nfs/dbraw/zinc/73/02/93/499730293.db2.gz RDAUZXHXSMCJBN-GHTZIAJQSA-N 1 3 370.493 3.495 20 0 FGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411415318 499737314 /nfs/dbraw/zinc/73/73/14/499737314.db2.gz MVJSFGRJQSBJFB-XMSQKQJNSA-N 1 3 352.526 3.001 20 0 FGADHO Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411415318 499737316 /nfs/dbraw/zinc/73/73/16/499737316.db2.gz MVJSFGRJQSBJFB-XMSQKQJNSA-N 1 3 352.526 3.001 20 0 FGADHO c1cc(CN2CCOCC3(CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411515054 499750138 /nfs/dbraw/zinc/75/01/38/499750138.db2.gz UKTXJAHQJPHGBL-UHFFFAOYSA-N 1 3 358.526 3.302 20 0 FGADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000414190753 499767142 /nfs/dbraw/zinc/76/71/42/499767142.db2.gz ROACXSQFOLQZKL-QFBILLFUSA-N 1 3 354.494 3.454 20 0 FGADHO COc1ccsc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414314299 499776721 /nfs/dbraw/zinc/77/67/21/499776721.db2.gz ZQJAPHIQVIRPPM-INIZCTEOSA-N 1 3 360.523 3.434 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000414324928 499778103 /nfs/dbraw/zinc/77/81/03/499778103.db2.gz LGERWZFMDKAWGB-NHCUHLMSSA-N 1 3 355.526 3.052 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000414330040 499778209 /nfs/dbraw/zinc/77/82/09/499778209.db2.gz RDHQJNROWNRGCM-YADHBBJMSA-N 1 3 369.553 3.442 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000414330037 499778397 /nfs/dbraw/zinc/77/83/97/499778397.db2.gz RDHQJNROWNRGCM-FGZHOGPDSA-N 1 3 369.553 3.442 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000414337662 499779059 /nfs/dbraw/zinc/77/90/59/499779059.db2.gz JIWZNNUTUPZLKY-JOCHJYFZSA-N 1 3 369.553 3.442 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000414344988 499779552 /nfs/dbraw/zinc/77/95/52/499779552.db2.gz SECBOLUNIJMBSP-NRFANRHFSA-N 1 3 355.526 3.052 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411161 499788315 /nfs/dbraw/zinc/78/83/15/499788315.db2.gz PHGJMAOYCCPQFB-VQIMIIECSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411161 499788317 /nfs/dbraw/zinc/78/83/17/499788317.db2.gz PHGJMAOYCCPQFB-VQIMIIECSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411161 499788319 /nfs/dbraw/zinc/78/83/19/499788319.db2.gz PHGJMAOYCCPQFB-VQIMIIECSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)c1 ZINC000414553685 499807708 /nfs/dbraw/zinc/80/77/08/499807708.db2.gz JFNGNLQZBBEOCB-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cc2ccccc2o1 ZINC000414698691 499820998 /nfs/dbraw/zinc/82/09/98/499820998.db2.gz XTHGXXVDFPZZNA-IAGOWNOFSA-N 1 3 357.498 3.403 20 0 FGADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cc2ccccc2o1 ZINC000414698691 499820999 /nfs/dbraw/zinc/82/09/99/499820999.db2.gz XTHGXXVDFPZZNA-IAGOWNOFSA-N 1 3 357.498 3.403 20 0 FGADHO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414729917 499823839 /nfs/dbraw/zinc/82/38/39/499823839.db2.gz GBTWGHAQMKRRMB-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC[NH2+]1 ZINC000414762661 499827648 /nfs/dbraw/zinc/82/76/48/499827648.db2.gz WJWFTGBNFGFXCH-ZIAGYGMSSA-N 1 3 365.905 3.084 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414798458 499832706 /nfs/dbraw/zinc/83/27/06/499832706.db2.gz JDUJQSDXVGOVNX-RKVPGOIHSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414798458 499832707 /nfs/dbraw/zinc/83/27/07/499832707.db2.gz JDUJQSDXVGOVNX-RKVPGOIHSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C[NH3+])C1CC1 ZINC000414805871 499833304 /nfs/dbraw/zinc/83/33/04/499833304.db2.gz PXNSVCKJOHAIIP-LKFCYVNXSA-N 1 3 363.811 3.403 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000414888723 499841953 /nfs/dbraw/zinc/84/19/53/499841953.db2.gz RQTUBHQLTZBQAP-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cc3c(cc2Br)OCO3)CC1 ZINC000415021782 499855608 /nfs/dbraw/zinc/85/56/08/499855608.db2.gz IGBPOWRUKSMKBT-HAQNSBGRSA-N 1 3 355.276 3.033 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123100 499866474 /nfs/dbraw/zinc/86/64/74/499866474.db2.gz KXOACJSQZCTBSJ-FUHWJXTLSA-N 1 3 354.441 3.049 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126049 499867140 /nfs/dbraw/zinc/86/71/40/499867140.db2.gz OVCDFSAFVAYXRQ-FUHWJXTLSA-N 1 3 372.431 3.346 20 0 FGADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000415128124 499867416 /nfs/dbraw/zinc/86/74/16/499867416.db2.gz JRRNKFBYGZVZRQ-UHFFFAOYSA-N 1 3 373.928 3.432 20 0 FGADHO Clc1ccc2cccnc2c1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144288 499869775 /nfs/dbraw/zinc/86/97/75/499869775.db2.gz VDWJNZVGRKCBNN-AEFFLSMTSA-N 1 3 357.885 3.089 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415309549 499885434 /nfs/dbraw/zinc/88/54/34/499885434.db2.gz NJAWUGDAFUYIQS-MSOLQXFVSA-N 1 3 374.529 3.190 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415311696 499885690 /nfs/dbraw/zinc/88/56/90/499885690.db2.gz RKUXCRRYNINMRQ-SFHVURJKSA-N 1 3 374.529 3.144 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(CCCc2ccccc2)CCN(C)C)c1 ZINC000415914505 499928088 /nfs/dbraw/zinc/92/80/88/499928088.db2.gz ARZFKNYKNNKBSV-UHFFFAOYSA-N 1 3 368.525 3.434 20 0 FGADHO CC[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)N1CCc2ccccc2C1 ZINC000415982138 499937135 /nfs/dbraw/zinc/93/71/35/499937135.db2.gz DHMPRMWXNJYSDS-NRFANRHFSA-N 1 3 366.509 3.364 20 0 FGADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000570451452 506170406 /nfs/dbraw/zinc/17/04/06/506170406.db2.gz MTJGFVZNMYVOSQ-FUPPJEDESA-N 1 3 369.553 3.356 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099877 /nfs/dbraw/zinc/09/98/77/500099877.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 1 3 356.510 3.282 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099881 /nfs/dbraw/zinc/09/98/81/500099881.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 1 3 356.510 3.282 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104511 /nfs/dbraw/zinc/10/45/11/500104511.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104514 /nfs/dbraw/zinc/10/45/14/500104514.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104542 /nfs/dbraw/zinc/10/45/42/500104542.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104545 /nfs/dbraw/zinc/10/45/45/500104545.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 1 3 357.542 3.150 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000416833155 500133074 /nfs/dbraw/zinc/13/30/74/500133074.db2.gz CHAPZMJYVDNDPZ-NHCUHLMSSA-N 1 3 372.557 3.025 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417675162 500146290 /nfs/dbraw/zinc/14/62/90/500146290.db2.gz BHCQVJGYOVLRNP-FXAWDEMLSA-N 1 3 374.573 3.276 20 0 FGADHO CN(C(=O)NCc1ccccc1CN1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416899633 500151008 /nfs/dbraw/zinc/15/10/08/500151008.db2.gz GGFVUHVHZHEHAK-WCRBZPEASA-N 1 3 370.541 3.097 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417698305 500151641 /nfs/dbraw/zinc/15/16/41/500151641.db2.gz XNDKZWHMRIIJKD-DYESRHJHSA-N 1 3 366.509 3.211 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104460 500154332 /nfs/dbraw/zinc/15/43/32/500154332.db2.gz FVXCVJRGMUYHKC-YLJYHZDGSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104460 500154334 /nfs/dbraw/zinc/15/43/34/500154334.db2.gz FVXCVJRGMUYHKC-YLJYHZDGSA-N 1 3 354.494 3.421 20 0 FGADHO COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000421867961 500166212 /nfs/dbraw/zinc/16/62/12/500166212.db2.gz PTWBJWRMFCWTPW-MJUUVYJYSA-N 1 3 358.526 3.071 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000417833184 500180254 /nfs/dbraw/zinc/18/02/54/500180254.db2.gz LSHRKDZEFNSVJP-QFIPXVFZSA-N 1 3 365.521 3.221 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002041 500181280 /nfs/dbraw/zinc/18/12/80/500181280.db2.gz FPUJGIAIVMDMGE-ROUUACIJSA-N 1 3 360.527 3.130 20 0 FGADHO C[C@@H](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997871 500211634 /nfs/dbraw/zinc/21/16/34/500211634.db2.gz GMWMLGFKXSBNMT-LAUBAEHRSA-N 1 3 368.525 3.403 20 0 FGADHO CC1=C[C@H](C)CN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260976 500217799 /nfs/dbraw/zinc/21/77/99/500217799.db2.gz IBCSBPKRLNGMRH-PKOBYXMFSA-N 1 3 355.526 3.054 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418156838 500238735 /nfs/dbraw/zinc/23/87/35/500238735.db2.gz NPJYOHPLXKPHEN-IHPCNDPISA-N 1 3 372.557 3.056 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166629 500241059 /nfs/dbraw/zinc/24/10/59/500241059.db2.gz ZOAYIYZIGQDAAG-WOJBJXKFSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N(C)C ZINC000418183992 500244335 /nfs/dbraw/zinc/24/43/35/500244335.db2.gz PFKVPKZJADMWJL-DSKINZAPSA-N 1 3 372.557 3.017 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)N(CC)CC)cc1 ZINC000418215419 500250764 /nfs/dbraw/zinc/25/07/64/500250764.db2.gz MXBYOKLNSQDBDL-AHRSYUTCSA-N 1 3 360.546 3.011 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000418253612 500255820 /nfs/dbraw/zinc/25/58/20/500255820.db2.gz ZEWAUJSNQJUSGI-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325644 500262546 /nfs/dbraw/zinc/26/25/46/500262546.db2.gz JKKXGOQLYHJPQB-UXPWSPDFSA-N 1 3 360.546 3.182 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325644 500262547 /nfs/dbraw/zinc/26/25/47/500262547.db2.gz JKKXGOQLYHJPQB-UXPWSPDFSA-N 1 3 360.546 3.182 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1)CC1CC1 ZINC000418423091 500274104 /nfs/dbraw/zinc/27/41/04/500274104.db2.gz FDEFCZLOWLJLBG-NRFANRHFSA-N 1 3 372.557 3.230 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1)CC1CC1 ZINC000418423091 500274107 /nfs/dbraw/zinc/27/41/07/500274107.db2.gz FDEFCZLOWLJLBG-NRFANRHFSA-N 1 3 372.557 3.230 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418435736 500276771 /nfs/dbraw/zinc/27/67/71/500276771.db2.gz IBGJRGMQWHFIPJ-MJGOQNOKSA-N 1 3 360.546 3.198 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[C@H]1C ZINC000418482515 500282091 /nfs/dbraw/zinc/28/20/91/500282091.db2.gz FBTWXGLEMKFHDN-CZAAIQMYSA-N 1 3 368.525 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[C@H]1C ZINC000418482515 500282094 /nfs/dbraw/zinc/28/20/94/500282094.db2.gz FBTWXGLEMKFHDN-CZAAIQMYSA-N 1 3 368.525 3.354 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497879 500284459 /nfs/dbraw/zinc/28/44/59/500284459.db2.gz IUORSRQUTJDLML-FCHUYYIVSA-N 1 3 374.488 3.026 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2)cc1F ZINC000422641649 500285376 /nfs/dbraw/zinc/28/53/76/500285376.db2.gz YETDHZWQKPNBKH-ZOBUZTSGSA-N 1 3 360.477 3.422 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502770 500285687 /nfs/dbraw/zinc/28/56/87/500285687.db2.gz VYSHWTOUJCCEOX-FQEVSTJZSA-N 1 3 356.514 3.069 20 0 FGADHO FC(F)(F)c1cccc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422699643 500286835 /nfs/dbraw/zinc/28/68/35/500286835.db2.gz AVOKGQHCCVIJSS-RCCFBDPRSA-N 1 3 356.432 3.385 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422702419 500287031 /nfs/dbraw/zinc/28/70/31/500287031.db2.gz KRNOEQPBOCUPPO-FGTMMUONSA-N 1 3 368.443 3.484 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812190 500289511 /nfs/dbraw/zinc/28/95/11/500289511.db2.gz UWVZAEZGDKLESQ-YLAKUSLOSA-N 1 3 363.571 3.273 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422741409 500293138 /nfs/dbraw/zinc/29/31/38/500293138.db2.gz DLFLRTCYRIYUIH-IWKCEXAMSA-N 1 3 353.938 3.065 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745631 500293325 /nfs/dbraw/zinc/29/33/25/500293325.db2.gz MPXOICSOSCCVLY-PMXSJFBMSA-N 1 3 357.542 3.342 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)c1 ZINC000422756486 500294423 /nfs/dbraw/zinc/29/44/23/500294423.db2.gz IXLIZLGWRHRFJZ-AOMKIAJQSA-N 1 3 368.525 3.345 20 0 FGADHO CN(CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758703 500294552 /nfs/dbraw/zinc/29/45/52/500294552.db2.gz KPCWEUSJYPULLC-IRLDBZIGSA-N 1 3 351.494 3.358 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791273 500298135 /nfs/dbraw/zinc/29/81/35/500298135.db2.gz QBYUYANLEGKBBJ-FQELHTAISA-N 1 3 356.441 3.439 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801121 500299504 /nfs/dbraw/zinc/29/95/04/500299504.db2.gz DQRYWANNBFRTQS-ONGXBYRLSA-N 1 3 358.457 3.247 20 0 FGADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422820152 500301750 /nfs/dbraw/zinc/30/17/50/500301750.db2.gz PEHVWSDYTQGOHA-GOSISDBHSA-N 1 3 368.525 3.216 20 0 FGADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422816659 500302097 /nfs/dbraw/zinc/30/20/97/500302097.db2.gz FQFYNOXHSGPYIE-PCCBWWKXSA-N 1 3 352.526 3.374 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000426663936 500303675 /nfs/dbraw/zinc/30/36/75/500303675.db2.gz OJTCCMIKNOWTRV-RBBKRZOGSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000426663936 500303678 /nfs/dbraw/zinc/30/36/78/500303678.db2.gz OJTCCMIKNOWTRV-RBBKRZOGSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000422837642 500304449 /nfs/dbraw/zinc/30/44/49/500304449.db2.gz MQTFMTLELFSHGW-NQIIRXRSSA-N 1 3 359.558 3.044 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842964 500304741 /nfs/dbraw/zinc/30/47/41/500304741.db2.gz ZXFDLVFXNDPSOC-MXSMSXNCSA-N 1 3 352.906 3.244 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422842962 500304761 /nfs/dbraw/zinc/30/47/61/500304761.db2.gz ZXFDLVFXNDPSOC-CYGHRXIMSA-N 1 3 352.906 3.244 20 0 FGADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422861162 500306518 /nfs/dbraw/zinc/30/65/18/500306518.db2.gz MJNCBOPJDIJAQH-CEWLAPEOSA-N 1 3 373.516 3.331 20 0 FGADHO COCCOc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860293 500306579 /nfs/dbraw/zinc/30/65/79/500306579.db2.gz LHXWWEMHVKANBA-IFMALSPDSA-N 1 3 368.477 3.057 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873220 500308140 /nfs/dbraw/zinc/30/81/40/500308140.db2.gz KOKCPEZXXPOYMY-JBLDHEPKSA-N 1 3 350.816 3.048 20 0 FGADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934387 500309881 /nfs/dbraw/zinc/30/98/81/500309881.db2.gz MDNLMPUOWXRJEL-ROUUACIJSA-N 1 3 365.521 3.340 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707347 500310319 /nfs/dbraw/zinc/31/03/19/500310319.db2.gz BOKDUFDWSTYONO-IRXDYDNUSA-N 1 3 352.567 3.046 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887305 500311021 /nfs/dbraw/zinc/31/10/21/500311021.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887305 500311023 /nfs/dbraw/zinc/31/10/23/500311023.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885037 500311032 /nfs/dbraw/zinc/31/10/32/500311032.db2.gz SZRKGPVNCQUQHX-XJKSGUPXSA-N 1 3 357.420 3.086 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418715877 500311971 /nfs/dbraw/zinc/31/19/71/500311971.db2.gz BPOYHTCFPUKGRB-PWRODBHTSA-N 1 3 372.557 3.058 20 0 FGADHO CCN1CCN(Cc2ccccc2CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422893939 500312539 /nfs/dbraw/zinc/31/25/39/500312539.db2.gz RPWISIMYJYNNSB-DHIUTWEWSA-N 1 3 364.537 3.059 20 0 FGADHO C[C@@H](NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903522 500313855 /nfs/dbraw/zinc/31/38/55/500313855.db2.gz WHPITGQNKUDPSX-VKJFTORMSA-N 1 3 366.347 3.396 20 0 FGADHO COc1ccc(Cl)cc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000422907846 500314550 /nfs/dbraw/zinc/31/45/50/500314550.db2.gz XURUYLLFPYMQKX-SJPCQFCGSA-N 1 3 364.917 3.269 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906883 500314665 /nfs/dbraw/zinc/31/46/65/500314665.db2.gz KNPXCJQJIDNTNC-NVXWUHKLSA-N 1 3 374.479 3.442 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H](C)[C@H]3CCCCN3)CC2)cs1 ZINC000422915120 500316013 /nfs/dbraw/zinc/31/60/13/500316013.db2.gz XERJXBJOAIBIQV-CRAIPNDOSA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(CN[C@H](C)[C@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422915120 500316015 /nfs/dbraw/zinc/31/60/15/500316015.db2.gz XERJXBJOAIBIQV-CRAIPNDOSA-N 1 3 350.576 3.038 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922039 500317127 /nfs/dbraw/zinc/31/71/27/500317127.db2.gz RQBWYDONALSHHE-CHWSQXEVSA-N 1 3 356.869 3.451 20 0 FGADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418780669 500322690 /nfs/dbraw/zinc/32/26/90/500322690.db2.gz YOPKGHFXYGCZDJ-GIVPXCGWSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012963 500322849 /nfs/dbraw/zinc/32/28/49/500322849.db2.gz HGJXARHTXQSIGT-MSOLQXFVSA-N 1 3 369.553 3.207 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000426821330 500324951 /nfs/dbraw/zinc/32/49/51/500324951.db2.gz RUJDYCFWYIQLJB-HDICACEKSA-N 1 3 364.505 3.416 20 0 FGADHO OCCC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979093 500326824 /nfs/dbraw/zinc/32/68/24/500326824.db2.gz LGJKPDJKDLRMIQ-TUNNFDKTSA-N 1 3 352.478 3.346 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422983858 500326950 /nfs/dbraw/zinc/32/69/50/500326950.db2.gz VLQQGHORRQCFDN-GFCCVEGCSA-N 1 3 371.872 3.445 20 0 FGADHO COCC[C@H](Cc1ccco1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035519 500333862 /nfs/dbraw/zinc/33/38/62/500333862.db2.gz RRKJQOIZOMNAOZ-LKUPVBHCSA-N 1 3 356.466 3.073 20 0 FGADHO CCCN(CCC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000431086123 500334154 /nfs/dbraw/zinc/33/41/54/500334154.db2.gz RZTDHEQQDZKWFL-UHFFFAOYSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCc2ccccc2F)cc1 ZINC000423051783 500335599 /nfs/dbraw/zinc/33/55/99/500335599.db2.gz PAYDYGMQWVTGLX-DLVCFXQMSA-N 1 3 358.457 3.247 20 0 FGADHO C[C@H](CCC[NH3+])N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099356 500341767 /nfs/dbraw/zinc/34/17/67/500341767.db2.gz TXOVNJBBLDNXKP-NOZJJQNGSA-N 1 3 369.225 3.218 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141105 500347867 /nfs/dbraw/zinc/34/78/67/500347867.db2.gz NYAJESLEPBWNRR-UUAYOZFRSA-N 1 3 353.304 3.037 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141105 500347868 /nfs/dbraw/zinc/34/78/68/500347868.db2.gz NYAJESLEPBWNRR-UUAYOZFRSA-N 1 3 353.304 3.037 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056366 500349137 /nfs/dbraw/zinc/34/91/37/500349137.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056366 500349142 /nfs/dbraw/zinc/34/91/42/500349142.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 1 3 367.537 3.126 20 0 FGADHO Brc1cccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423207146 500354881 /nfs/dbraw/zinc/35/48/81/500354881.db2.gz RFFRIRQDRAVXBM-LJQANCHMSA-N 1 3 374.326 3.033 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292440 500361921 /nfs/dbraw/zinc/36/19/21/500361921.db2.gz NAFXVLHYPICYBZ-IIBYNOLFSA-N 1 3 365.481 3.228 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000423356492 500366650 /nfs/dbraw/zinc/36/66/50/500366650.db2.gz JYPIZLSPXGYVFX-CVEARBPZSA-N 1 3 357.523 3.410 20 0 FGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375620 500368327 /nfs/dbraw/zinc/36/83/27/500368327.db2.gz UKEZIVMQYYKVCD-MVWJERBFSA-N 1 3 362.230 3.351 20 0 FGADHO CCSc1ccccc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399442 500370627 /nfs/dbraw/zinc/37/06/27/500370627.db2.gz WDUNNXBMFNSAFM-XJKSGUPXSA-N 1 3 361.477 3.285 20 0 FGADHO Cc1c([C@@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455305 500376043 /nfs/dbraw/zinc/37/60/43/500376043.db2.gz MJLZLNXCZXIMLT-NWDGAFQWSA-N 1 3 366.307 3.116 20 0 FGADHO Cc1c([C@H](C)N[C@@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455306 500376175 /nfs/dbraw/zinc/37/61/75/500376175.db2.gz MJLZLNXCZXIMLT-RYUDHWBXSA-N 1 3 366.307 3.116 20 0 FGADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332804 500382051 /nfs/dbraw/zinc/38/20/51/500382051.db2.gz VNFWUOKYMWXHQE-NFBKMPQASA-N 1 3 369.553 3.281 20 0 FGADHO Cc1nc(C)c([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000423543969 500383841 /nfs/dbraw/zinc/38/38/41/500383841.db2.gz CAACOUHJPQWUGC-HNNXBMFYSA-N 1 3 358.555 3.404 20 0 FGADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccccc1I ZINC000423546608 500384293 /nfs/dbraw/zinc/38/42/93/500384293.db2.gz FOLZHCHXBCZCDQ-GFCCVEGCSA-N 1 3 356.251 3.252 20 0 FGADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000423582366 500386851 /nfs/dbraw/zinc/38/68/51/500386851.db2.gz ZZFZTUSWSIVVMK-KRWDZBQOSA-N 1 3 367.493 3.059 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000423738182 500398264 /nfs/dbraw/zinc/39/82/64/500398264.db2.gz FURQESHPBUUWDT-DYESRHJHSA-N 1 3 353.510 3.433 20 0 FGADHO C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000423741206 500398301 /nfs/dbraw/zinc/39/83/01/500398301.db2.gz HGHPSVJOUSRESU-CTNGQTDRSA-N 1 3 359.558 3.035 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423754501 500399398 /nfs/dbraw/zinc/39/93/98/500399398.db2.gz YROCTJFCQYUIPI-SJLPKXTDSA-N 1 3 351.922 3.138 20 0 FGADHO COc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431652414 500403400 /nfs/dbraw/zinc/40/34/00/500403400.db2.gz CEKFGNQLPGPEER-CTNGQTDRSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431652414 500403401 /nfs/dbraw/zinc/40/34/01/500403401.db2.gz CEKFGNQLPGPEER-CTNGQTDRSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423897069 500417187 /nfs/dbraw/zinc/41/71/87/500417187.db2.gz OONWWVWYUKDWTB-HRAATJIYSA-N 1 3 367.493 3.282 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431757351 500420399 /nfs/dbraw/zinc/42/03/99/500420399.db2.gz CBYOQCAPRPMXDG-NRFANRHFSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431757351 500420401 /nfs/dbraw/zinc/42/04/01/500420401.db2.gz CBYOQCAPRPMXDG-NRFANRHFSA-N 1 3 357.542 3.340 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000431795795 500425975 /nfs/dbraw/zinc/42/59/75/500425975.db2.gz HVLUWDVNOBTQPQ-RTWAWAEBSA-N 1 3 374.573 3.448 20 0 FGADHO C[NH2+]CCC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000420300945 500436828 /nfs/dbraw/zinc/43/68/28/500436828.db2.gz DLJUZZBPGQUWMV-UHFFFAOYSA-N 1 3 359.283 3.289 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313165 500438886 /nfs/dbraw/zinc/43/88/86/500438886.db2.gz XPRMJHFRRVGGKQ-FPOVZHCZSA-N 1 3 354.494 3.276 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313165 500438891 /nfs/dbraw/zinc/43/88/91/500438891.db2.gz XPRMJHFRRVGGKQ-FPOVZHCZSA-N 1 3 354.494 3.276 20 0 FGADHO Ic1ccc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312407 500438993 /nfs/dbraw/zinc/43/89/93/500438993.db2.gz WXWXNHIHEHGRAH-CZUORRHYSA-N 1 3 370.278 3.428 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431897110 500440421 /nfs/dbraw/zinc/44/04/21/500440421.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 1 3 369.553 3.348 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431897110 500440424 /nfs/dbraw/zinc/44/04/24/500440424.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 1 3 369.553 3.348 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317657 500441197 /nfs/dbraw/zinc/44/11/97/500441197.db2.gz NPBXXBIWCZDQCS-VQIMIIECSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317657 500441200 /nfs/dbraw/zinc/44/12/00/500441200.db2.gz NPBXXBIWCZDQCS-VQIMIIECSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317657 500441201 /nfs/dbraw/zinc/44/12/01/500441201.db2.gz NPBXXBIWCZDQCS-VQIMIIECSA-N 1 3 365.481 3.011 20 0 FGADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337879 500443949 /nfs/dbraw/zinc/44/39/49/500443949.db2.gz KFOCBANVGPWZKX-VDGAXYAQSA-N 1 3 357.542 3.460 20 0 FGADHO c1ccc(-n2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335921 500444280 /nfs/dbraw/zinc/44/42/80/500444280.db2.gz VHSSSAYPZGWFNZ-MSOLQXFVSA-N 1 3 350.510 3.183 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340612 500444560 /nfs/dbraw/zinc/44/45/60/500444560.db2.gz MVXISEXFIQOIQH-FVJLSDCUSA-N 1 3 357.542 3.279 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361848 500447776 /nfs/dbraw/zinc/44/77/76/500447776.db2.gz NORYUVMDAPVBOO-HXUWFJFHSA-N 1 3 356.514 3.126 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361848 500447777 /nfs/dbraw/zinc/44/77/77/500447777.db2.gz NORYUVMDAPVBOO-HXUWFJFHSA-N 1 3 356.514 3.126 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420382697 500451867 /nfs/dbraw/zinc/45/18/67/500451867.db2.gz ZXXWRZABHFAPMY-INIZCTEOSA-N 1 3 353.894 3.174 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397319 500455431 /nfs/dbraw/zinc/45/54/31/500455431.db2.gz XHMLQEYCLANCJV-AEFFLSMTSA-N 1 3 372.431 3.303 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285175 500481277 /nfs/dbraw/zinc/48/12/77/500481277.db2.gz FKHUMTLPDRJNIS-CYBMUJFWSA-N 1 3 355.404 3.108 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288630 500481888 /nfs/dbraw/zinc/48/18/88/500481888.db2.gz KUTHLVIMBUGDRL-QAPCUYQASA-N 1 3 363.571 3.416 20 0 FGADHO Cc1ccc([C@@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287644 500481963 /nfs/dbraw/zinc/48/19/63/500481963.db2.gz JIOMECSGSAPMEE-LAUBAEHRSA-N 1 3 355.526 3.026 20 0 FGADHO CCN(C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305496 500484057 /nfs/dbraw/zinc/48/40/57/500484057.db2.gz SLRJLQNFANSHIT-GDBMZVCRSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@H]1CC[N@H+](C[C@@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305496 500484059 /nfs/dbraw/zinc/48/40/59/500484059.db2.gz SLRJLQNFANSHIT-GDBMZVCRSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](C[C@@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305496 500484063 /nfs/dbraw/zinc/48/40/63/500484063.db2.gz SLRJLQNFANSHIT-GDBMZVCRSA-N 1 3 361.427 3.074 20 0 FGADHO COc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1OC(C)C ZINC000573460414 506199128 /nfs/dbraw/zinc/19/91/28/506199128.db2.gz FHJKLOJOYQLNSR-ICSRJNTNSA-N 1 3 362.514 3.201 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420786022 500501198 /nfs/dbraw/zinc/50/11/98/500501198.db2.gz BIZAADBBBSAWOX-NRFANRHFSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792144 500501991 /nfs/dbraw/zinc/50/19/91/500501991.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792144 500501992 /nfs/dbraw/zinc/50/19/92/500501992.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000424427696 500502961 /nfs/dbraw/zinc/50/29/61/500502961.db2.gz QKHIZWHTQHSCJJ-UZLBHIALSA-N 1 3 352.482 3.238 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000424443453 500506513 /nfs/dbraw/zinc/50/65/13/500506513.db2.gz KFPRREYWYCLZME-UHFFFAOYSA-N 1 3 366.509 3.282 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3nc4ccccc4s3)CC2)CC1 ZINC000420985604 500548361 /nfs/dbraw/zinc/54/83/61/500548361.db2.gz WLARFJSWROAAKX-UHFFFAOYSA-N 1 3 358.555 3.288 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3nc4ccccc4s3)CC2)CC1 ZINC000420985604 500548363 /nfs/dbraw/zinc/54/83/63/500548363.db2.gz WLARFJSWROAAKX-UHFFFAOYSA-N 1 3 358.555 3.288 20 0 FGADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000573483088 506202479 /nfs/dbraw/zinc/20/24/79/506202479.db2.gz IPPKZFHEFURJLC-FGZHOGPDSA-N 1 3 365.521 3.420 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061932 500568586 /nfs/dbraw/zinc/56/85/86/500568586.db2.gz GKOIQJDIJWEORI-LJQANCHMSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442867173 500636205 /nfs/dbraw/zinc/63/62/05/500636205.db2.gz KNOPCGSSMFFVOU-HNNXBMFYSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442877912 500639065 /nfs/dbraw/zinc/63/90/65/500639065.db2.gz RTIABAZEAWDXNV-OAHLLOKOSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@H](CC[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000447810971 500667706 /nfs/dbraw/zinc/66/77/06/500667706.db2.gz CGDQTXJKNMTHAR-HXUWFJFHSA-N 1 3 352.526 3.377 20 0 FGADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433320734 500671415 /nfs/dbraw/zinc/67/14/15/500671415.db2.gz VOCDKFQZPWWXIN-NRFANRHFSA-N 1 3 371.500 3.409 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215798 500733928 /nfs/dbraw/zinc/73/39/28/500733928.db2.gz ZTRHTDICBWLALF-CTNGQTDRSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215798 500733931 /nfs/dbraw/zinc/73/39/31/500733931.db2.gz ZTRHTDICBWLALF-CTNGQTDRSA-N 1 3 374.573 3.265 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+]CCCCOc3ccccc3)cc2)CC1 ZINC000438088833 500736216 /nfs/dbraw/zinc/73/62/16/500736216.db2.gz LWEAWYLATTVTPU-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678815 500754968 /nfs/dbraw/zinc/75/49/68/500754968.db2.gz DIZWNERTNDYYSU-ICSRJNTNSA-N 1 3 374.573 3.269 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438344942 500774571 /nfs/dbraw/zinc/77/45/71/500774571.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 1 3 362.562 3.052 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438344942 500774574 /nfs/dbraw/zinc/77/45/74/500774574.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 1 3 362.562 3.052 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445435 500843871 /nfs/dbraw/zinc/84/38/71/500843871.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445435 500843872 /nfs/dbraw/zinc/84/38/72/500843872.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037453 500907448 /nfs/dbraw/zinc/90/74/48/500907448.db2.gz NHONXSUFWXJKFH-GUXCAODWSA-N 1 3 351.485 3.026 20 0 FGADHO C[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037453 500907452 /nfs/dbraw/zinc/90/74/52/500907452.db2.gz NHONXSUFWXJKFH-GUXCAODWSA-N 1 3 351.485 3.026 20 0 FGADHO CC1(C)CCCN(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000444885550 500917193 /nfs/dbraw/zinc/91/71/93/500917193.db2.gz NKAQBKRCKSQCID-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn3c(n2)CCCC3)CC1 ZINC000449071290 500917326 /nfs/dbraw/zinc/91/73/26/500917326.db2.gz ARHWXOZKACCCSZ-IBGZPJMESA-N 1 3 366.553 3.447 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@H](C)O1 ZINC000449100154 500925120 /nfs/dbraw/zinc/92/51/20/500925120.db2.gz AWEZGGHHQXGYQZ-ROUUACIJSA-N 1 3 362.514 3.217 20 0 FGADHO COCCCN1CCC([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449110588 500927274 /nfs/dbraw/zinc/92/72/74/500927274.db2.gz FBDMGLAARNLRDL-FQEVSTJZSA-N 1 3 373.585 3.173 20 0 FGADHO C[C@@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247389 500959852 /nfs/dbraw/zinc/95/98/52/500959852.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247389 500959855 /nfs/dbraw/zinc/95/98/55/500959855.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375365 500962274 /nfs/dbraw/zinc/96/22/74/500962274.db2.gz UPDDRQXGOURUPM-YLJYHZDGSA-N 1 3 367.493 3.027 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387573 500965979 /nfs/dbraw/zinc/96/59/79/500965979.db2.gz ASMRHJVRWALUKB-NUEKZKHPSA-N 1 3 350.388 3.060 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449357154 500985394 /nfs/dbraw/zinc/98/53/94/500985394.db2.gz BUZDFLKFJDIEGD-RBDMOPTHSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449357154 500985397 /nfs/dbraw/zinc/98/53/97/500985397.db2.gz BUZDFLKFJDIEGD-RBDMOPTHSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449357154 500985400 /nfs/dbraw/zinc/98/54/00/500985400.db2.gz BUZDFLKFJDIEGD-RBDMOPTHSA-N 1 3 356.485 3.229 20 0 FGADHO CCN(CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623133 501004097 /nfs/dbraw/zinc/00/40/97/501004097.db2.gz GGDMBJFVARZFNV-OAHLLOKOSA-N 1 3 353.894 3.141 20 0 FGADHO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCCNCC1 ZINC000435623133 501004099 /nfs/dbraw/zinc/00/40/99/501004099.db2.gz GGDMBJFVARZFNV-OAHLLOKOSA-N 1 3 353.894 3.141 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCCNCC1 ZINC000435623133 501004100 /nfs/dbraw/zinc/00/41/00/501004100.db2.gz GGDMBJFVARZFNV-OAHLLOKOSA-N 1 3 353.894 3.141 20 0 FGADHO CCO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1C ZINC000449490818 501015621 /nfs/dbraw/zinc/01/56/21/501015621.db2.gz CZZSNDOMZJJWHR-PGRDOPGGSA-N 1 3 359.558 3.464 20 0 FGADHO CCO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1C ZINC000449490818 501015624 /nfs/dbraw/zinc/01/56/24/501015624.db2.gz CZZSNDOMZJJWHR-PGRDOPGGSA-N 1 3 359.558 3.464 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974212 501057019 /nfs/dbraw/zinc/05/70/19/501057019.db2.gz KFDYKBKFKFLZID-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000446002799 501061433 /nfs/dbraw/zinc/06/14/33/501061433.db2.gz PENBSNFHPVMXID-YPAWHYETSA-N 1 3 365.521 3.331 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282579 501101404 /nfs/dbraw/zinc/10/14/04/501101404.db2.gz HKYJQGNAFBRNOE-QUCCMNQESA-N 1 3 357.542 3.267 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282579 501101407 /nfs/dbraw/zinc/10/14/07/501101407.db2.gz HKYJQGNAFBRNOE-QUCCMNQESA-N 1 3 357.542 3.267 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449835396 501101500 /nfs/dbraw/zinc/10/15/00/501101500.db2.gz PMAQEJLLIYCIEA-HXUWFJFHSA-N 1 3 373.541 3.040 20 0 FGADHO Cc1ccc([C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818266 501167902 /nfs/dbraw/zinc/16/79/02/501167902.db2.gz MURFKZOSXBINEK-NHCUHLMSSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccc([C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818266 501167903 /nfs/dbraw/zinc/16/79/03/501167903.db2.gz MURFKZOSXBINEK-NHCUHLMSSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1nc2c(n1[C@@H]1CCN(CC[N@@H+](C)Cc3ccccc3)C1)CCCC2 ZINC000450784665 501207958 /nfs/dbraw/zinc/20/79/58/501207958.db2.gz KAGYENQIDJQUAE-HXUWFJFHSA-N 1 3 352.526 3.449 20 0 FGADHO Cc1nc2c(n1[C@@H]1CCN(CC[N@H+](C)Cc3ccccc3)C1)CCCC2 ZINC000450784665 501207961 /nfs/dbraw/zinc/20/79/61/501207961.db2.gz KAGYENQIDJQUAE-HXUWFJFHSA-N 1 3 352.526 3.449 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccco1 ZINC000453071965 501262711 /nfs/dbraw/zinc/26/27/11/501262711.db2.gz MVUYHVTVAFAWPZ-ZCNNSNEGSA-N 1 3 367.493 3.042 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccco1 ZINC000453071965 501262714 /nfs/dbraw/zinc/26/27/14/501262714.db2.gz MVUYHVTVAFAWPZ-ZCNNSNEGSA-N 1 3 367.493 3.042 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000457631924 501272346 /nfs/dbraw/zinc/27/23/46/501272346.db2.gz FHVLAQIFPNJGFR-UHFFFAOYSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H](Cc1cnccn1)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000453120954 501273362 /nfs/dbraw/zinc/27/33/62/501273362.db2.gz DAXONWMHPRTMKJ-IBGZPJMESA-N 1 3 368.525 3.069 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000453129076 501275159 /nfs/dbraw/zinc/27/51/59/501275159.db2.gz DIIALLUAXBYGNB-QRVBRYPASA-N 1 3 354.498 3.207 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000453129076 501275161 /nfs/dbraw/zinc/27/51/61/501275161.db2.gz DIIALLUAXBYGNB-QRVBRYPASA-N 1 3 354.498 3.207 20 0 FGADHO CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000453182508 501287191 /nfs/dbraw/zinc/28/71/91/501287191.db2.gz MNTUSLOKUKCUHV-OALUTQOASA-N 1 3 359.539 3.078 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698595 501289973 /nfs/dbraw/zinc/28/99/73/501289973.db2.gz ZCIGDXYYYFICGH-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698595 501289975 /nfs/dbraw/zinc/28/99/75/501289975.db2.gz ZCIGDXYYYFICGH-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209101 501291957 /nfs/dbraw/zinc/29/19/57/501291957.db2.gz CTABQCGIYQXIMH-YPAWHYETSA-N 1 3 365.521 3.227 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234371 501295381 /nfs/dbraw/zinc/29/53/81/501295381.db2.gz SGHYOGRHIVUWHO-AFXVXQJMSA-N 1 3 365.521 3.190 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234371 501295384 /nfs/dbraw/zinc/29/53/84/501295384.db2.gz SGHYOGRHIVUWHO-AFXVXQJMSA-N 1 3 365.521 3.190 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328023 /nfs/dbraw/zinc/32/80/23/501328023.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328025 /nfs/dbraw/zinc/32/80/25/501328025.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328028 /nfs/dbraw/zinc/32/80/28/501328028.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328032 /nfs/dbraw/zinc/32/80/32/501328032.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CC1(C)CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000607748460 506252106 /nfs/dbraw/zinc/25/21/06/506252106.db2.gz CDXIDVFKTBCGTG-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000458416579 501439714 /nfs/dbraw/zinc/43/97/14/501439714.db2.gz QIXQCSUXIJMOEQ-NQIIRXRSSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000458416579 501439716 /nfs/dbraw/zinc/43/97/16/501439716.db2.gz QIXQCSUXIJMOEQ-NQIIRXRSSA-N 1 3 372.557 3.336 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N(C)C ZINC000458783432 501530654 /nfs/dbraw/zinc/53/06/54/501530654.db2.gz VDQUKLKJGNTXQL-KAGYGMCKSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N(C)C ZINC000458783432 501530655 /nfs/dbraw/zinc/53/06/55/501530655.db2.gz VDQUKLKJGNTXQL-KAGYGMCKSA-N 1 3 372.557 3.114 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458934978 501561694 /nfs/dbraw/zinc/56/16/94/501561694.db2.gz LATATGUWUKTLQP-VQTJNVASSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593436 501586917 /nfs/dbraw/zinc/58/69/17/501586917.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593436 501586918 /nfs/dbraw/zinc/58/69/18/501586918.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1OC(F)F ZINC000459387170 501644533 /nfs/dbraw/zinc/64/45/33/501644533.db2.gz JSBWFJACCPRLSD-UHFFFAOYSA-N 1 3 363.408 3.450 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459734287 501706418 /nfs/dbraw/zinc/70/64/18/501706418.db2.gz OKSKPWIPSIPZNN-GOSISDBHSA-N 1 3 369.509 3.491 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459734287 501706420 /nfs/dbraw/zinc/70/64/20/501706420.db2.gz OKSKPWIPSIPZNN-GOSISDBHSA-N 1 3 369.509 3.491 20 0 FGADHO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C12CCC2 ZINC000459799071 501715421 /nfs/dbraw/zinc/71/54/21/501715421.db2.gz YHBKGIOJOIOADL-LEWJYISDSA-N 1 3 357.542 3.264 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000460107788 501726859 /nfs/dbraw/zinc/72/68/59/501726859.db2.gz LPJHHEHTAIMCPF-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460107360 501727419 /nfs/dbraw/zinc/72/74/19/501727419.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460107360 501727421 /nfs/dbraw/zinc/72/74/21/501727421.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000467306489 501766937 /nfs/dbraw/zinc/76/69/37/501766937.db2.gz BRFXTWPWNJYROO-OAHLLOKOSA-N 1 3 357.464 3.252 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470718455 501781136 /nfs/dbraw/zinc/78/11/36/501781136.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470718455 501781141 /nfs/dbraw/zinc/78/11/41/501781141.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470739813 501788432 /nfs/dbraw/zinc/78/84/32/501788432.db2.gz FRFPBTQPIVEHOV-LEWJYISDSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470758274 501794400 /nfs/dbraw/zinc/79/44/00/501794400.db2.gz WDYVGTHCHNRCFX-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854481 501810569 /nfs/dbraw/zinc/81/05/69/501810569.db2.gz BKUHBGXNHFYBKU-PKOBYXMFSA-N 1 3 367.493 3.083 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460484403 501835099 /nfs/dbraw/zinc/83/50/99/501835099.db2.gz XDJVCJDKXICNTF-IRFCIJBXSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460484403 501835103 /nfs/dbraw/zinc/83/51/03/501835103.db2.gz XDJVCJDKXICNTF-IRFCIJBXSA-N 1 3 374.573 3.317 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000470876309 501839783 /nfs/dbraw/zinc/83/97/83/501839783.db2.gz RSANQNCYAPAFRU-GOSISDBHSA-N 1 3 361.530 3.133 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000470876309 501839789 /nfs/dbraw/zinc/83/97/89/501839789.db2.gz RSANQNCYAPAFRU-GOSISDBHSA-N 1 3 361.530 3.133 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000474737291 501938137 /nfs/dbraw/zinc/93/81/37/501938137.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 1 3 357.542 3.206 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000474737291 501938143 /nfs/dbraw/zinc/93/81/43/501938143.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 1 3 357.542 3.206 20 0 FGADHO Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482039208 501955644 /nfs/dbraw/zinc/95/56/44/501955644.db2.gz RCGUKMHRZBKYSB-FQEVSTJZSA-N 1 3 360.546 3.050 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1OC ZINC000482126364 501981787 /nfs/dbraw/zinc/98/17/87/501981787.db2.gz XEYCMLBSURBHIJ-NRFANRHFSA-N 1 3 368.525 3.343 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475009723 502019777 /nfs/dbraw/zinc/01/97/77/502019777.db2.gz SCLGFRCHMNYWJV-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475028559 502026948 /nfs/dbraw/zinc/02/69/48/502026948.db2.gz LLVBOYLJEJGDKX-OAQYLSRUSA-N 1 3 374.573 3.411 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475034246 502029600 /nfs/dbraw/zinc/02/96/00/502029600.db2.gz VHWBFVAMPMDFRK-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000486107233 502049544 /nfs/dbraw/zinc/04/95/44/502049544.db2.gz FEVMSIMUUNJZOK-UHFFFAOYSA-N 1 3 364.578 3.303 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475154171 502083557 /nfs/dbraw/zinc/08/35/57/502083557.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 1 3 360.546 3.023 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475154171 502083560 /nfs/dbraw/zinc/08/35/60/502083560.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475176433 502091709 /nfs/dbraw/zinc/09/17/09/502091709.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475176433 502091713 /nfs/dbraw/zinc/09/17/13/502091713.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475179874 502091825 /nfs/dbraw/zinc/09/18/25/502091825.db2.gz XTDZAVKFHDEGFX-NJDAHSKKSA-N 1 3 372.557 3.165 20 0 FGADHO CC(=O)N[C@H](C)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000482505823 502091869 /nfs/dbraw/zinc/09/18/69/502091869.db2.gz OKLNGSIQFUJWCM-GOSISDBHSA-N 1 3 359.558 3.381 20 0 FGADHO CC(=O)N[C@H](C)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482505823 502091873 /nfs/dbraw/zinc/09/18/73/502091873.db2.gz OKLNGSIQFUJWCM-GOSISDBHSA-N 1 3 359.558 3.381 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000461414196 502104895 /nfs/dbraw/zinc/10/48/95/502104895.db2.gz AOVOFJDQBYKBBB-UHFFFAOYSA-N 1 3 374.573 3.414 20 0 FGADHO Cc1cc2cc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553865 502108535 /nfs/dbraw/zinc/10/85/35/502108535.db2.gz MDNKJWJBBXHELJ-DLBZAZTESA-N 1 3 357.498 3.288 20 0 FGADHO CC[C@H](C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501512 502132458 /nfs/dbraw/zinc/13/24/58/502132458.db2.gz BQDTUMDPFBYIFU-WOJBJXKFSA-N 1 3 361.530 3.069 20 0 FGADHO c1cn(-c2csc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2)cn1 ZINC000475343100 502141714 /nfs/dbraw/zinc/14/17/14/502141714.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 1 3 364.518 3.498 20 0 FGADHO c1cn(-c2csc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2)cn1 ZINC000475343100 502141718 /nfs/dbraw/zinc/14/17/18/502141718.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 1 3 364.518 3.498 20 0 FGADHO CC[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N(CC)CC ZINC000468714432 502156434 /nfs/dbraw/zinc/15/64/34/502156434.db2.gz HZHJCCNHXRVPHB-NRFANRHFSA-N 1 3 357.542 3.156 20 0 FGADHO CC[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N(CC)CC ZINC000468714432 502156439 /nfs/dbraw/zinc/15/64/39/502156439.db2.gz HZHJCCNHXRVPHB-NRFANRHFSA-N 1 3 357.542 3.156 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479074803 502156605 /nfs/dbraw/zinc/15/66/05/502156605.db2.gz AZJYRDBUCHXBDE-ICSRJNTNSA-N 1 3 356.514 3.196 20 0 FGADHO C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N1CCCCCC1 ZINC000468716222 502157578 /nfs/dbraw/zinc/15/75/78/502157578.db2.gz UMAWGFZAOGDFTR-LJQANCHMSA-N 1 3 369.553 3.300 20 0 FGADHO C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N1CCCCCC1 ZINC000468716222 502157583 /nfs/dbraw/zinc/15/75/83/502157583.db2.gz UMAWGFZAOGDFTR-LJQANCHMSA-N 1 3 369.553 3.300 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464965038 502159022 /nfs/dbraw/zinc/15/90/22/502159022.db2.gz UASIDNWLZHKWMN-KNQAVFIVSA-N 1 3 371.569 3.272 20 0 FGADHO C[C@@H](CCNC(=O)c1ccccc1CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000486516481 502178121 /nfs/dbraw/zinc/17/81/21/502178121.db2.gz JOHKLKFBURYVDL-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@@H](CCNC(=O)c1ccccc1CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000486516481 502178128 /nfs/dbraw/zinc/17/81/28/502178128.db2.gz JOHKLKFBURYVDL-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179189 /nfs/dbraw/zinc/17/91/89/502179189.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179201 /nfs/dbraw/zinc/17/92/01/502179201.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479186601 502187816 /nfs/dbraw/zinc/18/78/16/502187816.db2.gz LRQMREAAHSZYNZ-HXUWFJFHSA-N 1 3 373.472 3.227 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479221150 502196656 /nfs/dbraw/zinc/19/66/56/502196656.db2.gz IJCCWCVRRVGMDQ-HNAYVOBHSA-N 1 3 357.473 3.114 20 0 FGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482875702 502205700 /nfs/dbraw/zinc/20/57/00/502205700.db2.gz MKIDPNQKZMSHFR-QGZVFWFLSA-N 1 3 357.542 3.159 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000465198525 502211964 /nfs/dbraw/zinc/21/19/64/502211964.db2.gz UBBQPCNJNRZJRK-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000465198525 502211970 /nfs/dbraw/zinc/21/19/70/502211970.db2.gz UBBQPCNJNRZJRK-HXUWFJFHSA-N 1 3 357.542 3.380 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472076923 502222087 /nfs/dbraw/zinc/22/20/87/502222087.db2.gz XADOPTMKFBEISQ-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000465554251 502305161 /nfs/dbraw/zinc/30/51/61/502305161.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000465554251 502305167 /nfs/dbraw/zinc/30/51/67/502305167.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 1 3 372.557 3.200 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000465555471 502306385 /nfs/dbraw/zinc/30/63/85/502306385.db2.gz XKTCWXXKYBJZBL-WIYYLYMNSA-N 1 3 372.557 3.200 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306755 /nfs/dbraw/zinc/30/67/55/502306755.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306760 /nfs/dbraw/zinc/30/67/60/502306760.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196442 502310734 /nfs/dbraw/zinc/31/07/34/502310734.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196442 502310741 /nfs/dbraw/zinc/31/07/41/502310741.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000465579869 502313665 /nfs/dbraw/zinc/31/36/65/502313665.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000465579869 502313671 /nfs/dbraw/zinc/31/36/71/502313671.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581829 502391431 /nfs/dbraw/zinc/39/14/31/502391431.db2.gz PYTFCCYRCAONGT-SFTDATJTSA-N 1 3 365.606 3.462 20 0 FGADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581829 502391436 /nfs/dbraw/zinc/39/14/36/502391436.db2.gz PYTFCCYRCAONGT-SFTDATJTSA-N 1 3 365.606 3.462 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851622 502397119 /nfs/dbraw/zinc/39/71/19/502397119.db2.gz OOIVXOUJCIEFCJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851622 502397123 /nfs/dbraw/zinc/39/71/23/502397123.db2.gz OOIVXOUJCIEFCJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851622 502397128 /nfs/dbraw/zinc/39/71/28/502397128.db2.gz OOIVXOUJCIEFCJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000472600102 502398322 /nfs/dbraw/zinc/39/83/22/502398322.db2.gz XKQWHIVLAIFJEV-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000472600102 502398323 /nfs/dbraw/zinc/39/83/23/502398323.db2.gz XKQWHIVLAIFJEV-VQTJNVASSA-N 1 3 353.595 3.318 20 0 FGADHO CC[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000465991237 502447896 /nfs/dbraw/zinc/44/78/96/502447896.db2.gz ZJJFNKAYPFOUPZ-GUDVDZBRSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000465991237 502447900 /nfs/dbraw/zinc/44/79/00/502447900.db2.gz ZJJFNKAYPFOUPZ-GUDVDZBRSA-N 1 3 352.567 3.013 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080306 502467004 /nfs/dbraw/zinc/46/70/04/502467004.db2.gz BATCTUAGZLKHLL-OKZBNKHCSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080306 502467008 /nfs/dbraw/zinc/46/70/08/502467008.db2.gz BATCTUAGZLKHLL-OKZBNKHCSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080306 502467011 /nfs/dbraw/zinc/46/70/11/502467011.db2.gz BATCTUAGZLKHLL-OKZBNKHCSA-N 1 3 353.576 3.077 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588710598 506316922 /nfs/dbraw/zinc/31/69/22/506316922.db2.gz STZWHKQLTMIXBZ-HDICACEKSA-N 1 3 364.505 3.416 20 0 FGADHO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000480231706 502507752 /nfs/dbraw/zinc/50/77/52/502507752.db2.gz SQPYJHAKOUWJSR-LJQANCHMSA-N 1 3 367.537 3.336 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)CC1CCCC1)C1CCN(C)CC1 ZINC000466417277 502565184 /nfs/dbraw/zinc/56/51/84/502565184.db2.gz OAYJQROLYBWXBA-FQEVSTJZSA-N 1 3 373.585 3.495 20 0 FGADHO COC(=O)CCCN1CCC(Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000462781172 502568619 /nfs/dbraw/zinc/56/86/19/502568619.db2.gz YUUMPAHVLINJEZ-UHFFFAOYSA-N 1 3 373.541 3.420 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NCCc2ncn(C)n2)c2ccc(F)cc2)CC1 ZINC000462820473 502586555 /nfs/dbraw/zinc/58/65/55/502586555.db2.gz WFBGBKFMMLFLKS-HXUWFJFHSA-N 1 3 373.520 3.340 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501989 502613279 /nfs/dbraw/zinc/61/32/79/502613279.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501989 502613286 /nfs/dbraw/zinc/61/32/86/502613286.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000484284820 502615102 /nfs/dbraw/zinc/61/51/02/502615102.db2.gz PPMQWMGVABXGMA-QWFCFKBJSA-N 1 3 360.546 3.099 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907373 502617126 /nfs/dbraw/zinc/61/71/26/502617126.db2.gz PWDFJFPEQFJANE-ZWKOTPCHSA-N 1 3 364.534 3.130 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000480679632 502640845 /nfs/dbraw/zinc/64/08/45/502640845.db2.gz VPYIKTINHZBOTH-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679632 502640847 /nfs/dbraw/zinc/64/08/47/502640847.db2.gz VPYIKTINHZBOTH-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679632 502640850 /nfs/dbraw/zinc/64/08/50/502640850.db2.gz VPYIKTINHZBOTH-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CCN1Cc1ccccc1 ZINC000476989308 502644092 /nfs/dbraw/zinc/64/40/92/502644092.db2.gz MBKNEORUTNSIFG-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO CN(c1ccccc1CNCC(C)(C)C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000480936139 502709419 /nfs/dbraw/zinc/70/94/19/502709419.db2.gz MCTOEBSZUNDLLZ-UHFFFAOYSA-N 1 3 372.601 3.429 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000488444865 502716514 /nfs/dbraw/zinc/71/65/14/502716514.db2.gz XEGOLSZLTQNSKC-HBFSDRIKSA-N 1 3 360.546 3.097 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481025481 502731580 /nfs/dbraw/zinc/73/15/80/502731580.db2.gz PKBTWDOGQWRFKJ-AABGKKOBSA-N 1 3 353.595 3.224 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C ZINC000484772322 502736860 /nfs/dbraw/zinc/73/68/60/502736860.db2.gz PRUBJDWGEFJYEQ-DYESRHJHSA-N 1 3 372.557 3.160 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000477320192 502740857 /nfs/dbraw/zinc/74/08/57/502740857.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 1 3 364.578 3.158 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000477320192 502740860 /nfs/dbraw/zinc/74/08/60/502740860.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000463277286 502743606 /nfs/dbraw/zinc/74/36/06/502743606.db2.gz CJRVUVISDVYDNT-KDURUIRLSA-N 1 3 352.563 3.405 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000481177488 502774803 /nfs/dbraw/zinc/77/48/03/502774803.db2.gz ZYQQJFKTGLPRBY-NQIIRXRSSA-N 1 3 351.494 3.150 20 0 FGADHO CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531044 502806483 /nfs/dbraw/zinc/80/64/83/502806483.db2.gz UFCYTULZMLNSLF-RTWAWAEBSA-N 1 3 359.558 3.477 20 0 FGADHO CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531044 502806487 /nfs/dbraw/zinc/80/64/87/502806487.db2.gz UFCYTULZMLNSLF-RTWAWAEBSA-N 1 3 359.558 3.477 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000500680294 502838986 /nfs/dbraw/zinc/83/89/86/502838986.db2.gz BKYJBWQCIUQJNY-RTBURBONSA-N 1 3 372.557 3.012 20 0 FGADHO COCC1(C)CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000500749682 502854004 /nfs/dbraw/zinc/85/40/04/502854004.db2.gz OBWNNILLWWFXFY-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO C[NH+]1CCC(CCNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000489042616 502867224 /nfs/dbraw/zinc/86/72/24/502867224.db2.gz MOCOVAQBFKMCQU-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO O[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000513212254 502878786 /nfs/dbraw/zinc/87/87/86/502878786.db2.gz IYKJQYOBJUXZSE-HSZRJFAPSA-N 1 3 371.569 3.010 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000509403519 502893345 /nfs/dbraw/zinc/89/33/45/502893345.db2.gz CKYFKPXLMUTIBU-GPANFISMSA-N 1 3 363.468 3.075 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCSC3CCCCC3)CC2)CC1 ZINC000501022962 502913796 /nfs/dbraw/zinc/91/37/96/502913796.db2.gz LGBIQSHAHMJYHT-UHFFFAOYSA-N 1 3 353.620 3.402 20 0 FGADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081594 502931264 /nfs/dbraw/zinc/93/12/64/502931264.db2.gz XVGDXRVCHUYYBO-GBESFXJTSA-N 1 3 372.557 3.408 20 0 FGADHO CN(Cc1nc2cccnc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090857 502935156 /nfs/dbraw/zinc/93/51/56/502935156.db2.gz TVPXYPZLDMAYQZ-UHFFFAOYSA-N 1 3 353.495 3.435 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C[C@@H](C)O1 ZINC000513505467 502955504 /nfs/dbraw/zinc/95/55/04/502955504.db2.gz KOGCAWJLYCMSIL-KNKQGSTJSA-N 1 3 368.525 3.239 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727444 502974108 /nfs/dbraw/zinc/97/41/08/502974108.db2.gz ZOFXATAISUKGQR-NRFANRHFSA-N 1 3 357.542 3.054 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727444 502974110 /nfs/dbraw/zinc/97/41/10/502974110.db2.gz ZOFXATAISUKGQR-NRFANRHFSA-N 1 3 357.542 3.054 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731126 502975242 /nfs/dbraw/zinc/97/52/42/502975242.db2.gz HUNWJLXFGAHUFU-NRFANRHFSA-N 1 3 353.510 3.328 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731126 502975243 /nfs/dbraw/zinc/97/52/43/502975243.db2.gz HUNWJLXFGAHUFU-NRFANRHFSA-N 1 3 353.510 3.328 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1 ZINC000497549535 502985008 /nfs/dbraw/zinc/98/50/08/502985008.db2.gz AOYPZRNEWBORKA-ZWKOTPCHSA-N 1 3 366.525 3.094 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655146 502991805 /nfs/dbraw/zinc/99/18/05/502991805.db2.gz LKWUJWDCUDYCKY-XUVXKRRUSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655146 502991808 /nfs/dbraw/zinc/99/18/08/502991808.db2.gz LKWUJWDCUDYCKY-XUVXKRRUSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)no1 ZINC000513655146 502991812 /nfs/dbraw/zinc/99/18/12/502991812.db2.gz LKWUJWDCUDYCKY-XUVXKRRUSA-N 1 3 368.525 3.455 20 0 FGADHO CN(C)[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362790 502992827 /nfs/dbraw/zinc/99/28/27/502992827.db2.gz PSRPTZLNLWTXLM-VQTJNVASSA-N 1 3 360.546 3.099 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835280 502996445 /nfs/dbraw/zinc/99/64/45/502996445.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 1 3 357.542 3.278 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835280 502996451 /nfs/dbraw/zinc/99/64/51/502996451.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 1 3 357.542 3.278 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513673508 502997370 /nfs/dbraw/zinc/99/73/70/502997370.db2.gz SMDFSZILBPXABR-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513673508 502997374 /nfs/dbraw/zinc/99/73/74/502997374.db2.gz SMDFSZILBPXABR-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513673508 502997378 /nfs/dbraw/zinc/99/73/78/502997378.db2.gz SMDFSZILBPXABR-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875427 503003642 /nfs/dbraw/zinc/00/36/42/503003642.db2.gz WCCAGDDSLZUHQU-ROUUACIJSA-N 1 3 351.494 3.141 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000497635170 503004731 /nfs/dbraw/zinc/00/47/31/503004731.db2.gz XPGSPDQFFUWMAC-RXVVDRJESA-N 1 3 372.557 3.386 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000497635170 503004735 /nfs/dbraw/zinc/00/47/35/503004735.db2.gz XPGSPDQFFUWMAC-RXVVDRJESA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000501491973 503020609 /nfs/dbraw/zinc/02/06/09/503020609.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000501491973 503020610 /nfs/dbraw/zinc/02/06/10/503020610.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499210 503021426 /nfs/dbraw/zinc/02/14/26/503021426.db2.gz DPWKICAZDWOESR-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499210 503021427 /nfs/dbraw/zinc/02/14/27/503021427.db2.gz DPWKICAZDWOESR-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000501547124 503034590 /nfs/dbraw/zinc/03/45/90/503034590.db2.gz RSROJLFXCSVBMS-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489811555 503041000 /nfs/dbraw/zinc/04/10/00/503041000.db2.gz QFINFXBVSAVWCZ-SFTDATJTSA-N 1 3 374.573 3.065 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088515 503046143 /nfs/dbraw/zinc/04/61/43/503046143.db2.gz WLGKILJNKNUQRE-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088515 503046147 /nfs/dbraw/zinc/04/61/47/503046147.db2.gz WLGKILJNKNUQRE-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916553 503048062 /nfs/dbraw/zinc/04/80/62/503048062.db2.gz JHPVSKURJJIJIO-GGPKGHCWSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916553 503048067 /nfs/dbraw/zinc/04/80/67/503048067.db2.gz JHPVSKURJJIJIO-GGPKGHCWSA-N 1 3 357.542 3.276 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000489904631 503061296 /nfs/dbraw/zinc/06/12/96/503061296.db2.gz FUAWEKKMNXVDHF-GOSISDBHSA-N 1 3 369.513 3.021 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821471 503087486 /nfs/dbraw/zinc/08/74/86/503087486.db2.gz FRVIBQGVISHUNP-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326653 503092688 /nfs/dbraw/zinc/09/26/88/503092688.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326653 503092690 /nfs/dbraw/zinc/09/26/90/503092690.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 1 3 372.557 3.069 20 0 FGADHO O=C1COc2ccc(C[NH2+]CC3CCN(Cc4cccs4)CC3)cc2N1 ZINC000510368908 503101019 /nfs/dbraw/zinc/10/10/19/503101019.db2.gz HOMMFBWZNQJUPZ-UHFFFAOYSA-N 1 3 371.506 3.081 20 0 FGADHO Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088760 503107198 /nfs/dbraw/zinc/10/71/98/503107198.db2.gz JEJDGHZCWDKZBB-AZUAARDMSA-N 1 3 357.542 3.162 20 0 FGADHO C[C@H](CCNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCC1 ZINC000501914156 503108403 /nfs/dbraw/zinc/10/84/03/503108403.db2.gz LFESGCIKZSYTDF-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514229968 503119103 /nfs/dbraw/zinc/11/91/03/503119103.db2.gz VKIDVHYLXBTBRM-BJLQDIEVSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514229968 503119107 /nfs/dbraw/zinc/11/91/07/503119107.db2.gz VKIDVHYLXBTBRM-BJLQDIEVSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000490199838 503128971 /nfs/dbraw/zinc/12/89/71/503128971.db2.gz VTPHSPGCPMNXSF-PXNSSMCTSA-N 1 3 360.546 3.099 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000490216229 503132800 /nfs/dbraw/zinc/13/28/00/503132800.db2.gz KHJVJMFCQDZNTB-SJLPKXTDSA-N 1 3 364.534 3.273 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000514564193 503137429 /nfs/dbraw/zinc/13/74/29/503137429.db2.gz CDIMULUMFGOJED-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000502148796 503150728 /nfs/dbraw/zinc/15/07/28/503150728.db2.gz YCWHUTMIOJYENM-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393134 503177816 /nfs/dbraw/zinc/17/78/16/503177816.db2.gz XYHKJBZZEDKVQT-FUHWJXTLSA-N 1 3 364.534 3.130 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510735377 503181675 /nfs/dbraw/zinc/18/16/75/503181675.db2.gz OEHMAPHPMDFNRA-RTWAWAEBSA-N 1 3 355.526 3.181 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000498410670 503182212 /nfs/dbraw/zinc/18/22/12/503182212.db2.gz RUKRZKJJHRIYOE-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000514783826 503191925 /nfs/dbraw/zinc/19/19/25/503191925.db2.gz DTNBVGCOWLJXEL-PXNSSMCTSA-N 1 3 358.530 3.084 20 0 FGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000511008691 503234801 /nfs/dbraw/zinc/23/48/01/503234801.db2.gz DHECLAZOFLVZKJ-FQEVSTJZSA-N 1 3 357.542 3.073 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)NCCN3CCCC[C@H]3C)CC2)CC1 ZINC000502628025 503241740 /nfs/dbraw/zinc/24/17/40/503241740.db2.gz ODYVYTUBHBXXOU-XEVCZEQESA-N 1 3 364.578 3.203 20 0 FGADHO CN(CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000490947935 503250290 /nfs/dbraw/zinc/25/02/90/503250290.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CN(CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000490947935 503250292 /nfs/dbraw/zinc/25/02/92/503250292.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000502912248 503306678 /nfs/dbraw/zinc/30/66/78/503306678.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000502912248 503306680 /nfs/dbraw/zinc/30/66/80/503306680.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000502943021 503312102 /nfs/dbraw/zinc/31/21/02/503312102.db2.gz YJORUQUKKHVRPM-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000499104962 503335558 /nfs/dbraw/zinc/33/55/58/503335558.db2.gz YMBIWNUGJHIBPK-UWJYYQICSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@@H](NCCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198178 503364819 /nfs/dbraw/zinc/36/48/19/503364819.db2.gz KKOJXQFTNANEIF-QZTJIDSGSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@@H](NCCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198178 503364823 /nfs/dbraw/zinc/36/48/23/503364823.db2.gz KKOJXQFTNANEIF-QZTJIDSGSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000503198178 503364828 /nfs/dbraw/zinc/36/48/28/503364828.db2.gz KKOJXQFTNANEIF-QZTJIDSGSA-N 1 3 371.525 3.045 20 0 FGADHO CCn1cc(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000503210645 503368041 /nfs/dbraw/zinc/36/80/41/503368041.db2.gz YREXRCUWWPUYTA-UHFFFAOYSA-N 1 3 352.526 3.434 20 0 FGADHO CCn1cc(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000503210645 503368043 /nfs/dbraw/zinc/36/80/43/503368043.db2.gz YREXRCUWWPUYTA-UHFFFAOYSA-N 1 3 352.526 3.434 20 0 FGADHO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000492815226 503386587 /nfs/dbraw/zinc/38/65/87/503386587.db2.gz FWCKSFMKAJIHHB-OSYNSWQESA-N 1 3 366.509 3.035 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811092 503406016 /nfs/dbraw/zinc/40/60/16/503406016.db2.gz OMYCLNHDIKUOBN-MAUKXSAKSA-N 1 3 366.937 3.103 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C ZINC000503431398 503408017 /nfs/dbraw/zinc/40/80/17/503408017.db2.gz QAYHIRXWRJKYAI-OXKPJDFFSA-N 1 3 372.557 3.302 20 0 FGADHO C[C@H](CNC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048597 503436935 /nfs/dbraw/zinc/43/69/35/503436935.db2.gz JYXQYACBBZHAEI-MBOZVWFJSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000516048597 503436940 /nfs/dbraw/zinc/43/69/40/503436940.db2.gz JYXQYACBBZHAEI-MBOZVWFJSA-N 1 3 368.949 3.490 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456845 /nfs/dbraw/zinc/45/68/45/503456845.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456849 /nfs/dbraw/zinc/45/68/49/503456849.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000503734190 503466317 /nfs/dbraw/zinc/46/63/17/503466317.db2.gz XHKMZDGWAZGXES-QUCCMNQESA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182629 503479744 /nfs/dbraw/zinc/47/97/44/503479744.db2.gz FLJJRJJQOIAFOQ-LAUBAEHRSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537131 503530230 /nfs/dbraw/zinc/53/02/30/503530230.db2.gz PGEFGHQWKIMWOF-LJQANCHMSA-N 1 3 364.578 3.203 20 0 FGADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000504207400 503538738 /nfs/dbraw/zinc/53/87/38/503538738.db2.gz IKDKIRJGOBXUHC-ROUUACIJSA-N 1 3 358.530 3.028 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582082 503542882 /nfs/dbraw/zinc/54/28/82/503542882.db2.gz QRWFNDIBVGGVRM-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508848864 503576379 /nfs/dbraw/zinc/57/63/79/503576379.db2.gz AYZDHKHDCJNHET-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO O=C1COc2ccc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc2N1 ZINC000508855867 503579371 /nfs/dbraw/zinc/57/93/71/503579371.db2.gz KERSKBPGPALMEM-UHFFFAOYSA-N 1 3 357.498 3.106 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)N(C)C ZINC000508902534 503595548 /nfs/dbraw/zinc/59/55/48/503595548.db2.gz WQTRIEKFCQTLBL-IWFBPKFRSA-N 1 3 372.557 3.254 20 0 FGADHO Cc1cc(CN2CCC(OCC[NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000536676607 503674958 /nfs/dbraw/zinc/67/49/58/503674958.db2.gz QRBPWWDVHLRNOX-UHFFFAOYSA-N 1 3 356.457 3.447 20 0 FGADHO CC(C)[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975829 503682807 /nfs/dbraw/zinc/68/28/07/503682807.db2.gz XMRHCONQBXSCBS-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181660 503753117 /nfs/dbraw/zinc/75/31/17/503753117.db2.gz NYCTUJOCKVUJCC-HKUYNNGSSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@H+]1C ZINC000533181660 503753123 /nfs/dbraw/zinc/75/31/23/503753123.db2.gz NYCTUJOCKVUJCC-HKUYNNGSSA-N 1 3 374.529 3.156 20 0 FGADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000517513138 503760651 /nfs/dbraw/zinc/76/06/51/503760651.db2.gz UHPHYASKVUFRCQ-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000517667751 503801900 /nfs/dbraw/zinc/80/19/00/503801900.db2.gz FXSNFIABTXKZPO-LJQANCHMSA-N 1 3 359.558 3.176 20 0 FGADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000517667751 503801906 /nfs/dbraw/zinc/80/19/06/503801906.db2.gz FXSNFIABTXKZPO-LJQANCHMSA-N 1 3 359.558 3.176 20 0 FGADHO CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C[C@H]1OC ZINC000540593491 503826903 /nfs/dbraw/zinc/82/69/03/503826903.db2.gz HHXLZMFUEHVHBA-RTBURBONSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000543639320 503837406 /nfs/dbraw/zinc/83/74/06/503837406.db2.gz DAZWXDFXMVXVQX-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534147 503945479 /nfs/dbraw/zinc/94/54/79/503945479.db2.gz APIIUZWEFHUHKS-GCJKJVERSA-N 1 3 368.525 3.345 20 0 FGADHO Clc1ccc(-c2noc(CCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349056 503959264 /nfs/dbraw/zinc/95/92/64/503959264.db2.gz PAXRYJNWZJEAKQ-WBVHZDCISA-N 1 3 360.889 3.397 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000541109499 504010874 /nfs/dbraw/zinc/01/08/74/504010874.db2.gz KSPIBOMJGLXOKH-GOSISDBHSA-N 1 3 364.578 3.180 20 0 FGADHO C[C@H](NCc1ccc2cn(C)nc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000527961076 504018173 /nfs/dbraw/zinc/01/81/73/504018173.db2.gz GMBAUXQVMGBPHE-INIZCTEOSA-N 1 3 352.482 3.365 20 0 FGADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000541155298 504024568 /nfs/dbraw/zinc/02/45/68/504024568.db2.gz BGWNVNKYAXURGG-KZNAEPCWSA-N 1 3 358.530 3.363 20 0 FGADHO C[C@](O)(C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000518758781 504055492 /nfs/dbraw/zinc/05/54/92/504055492.db2.gz ADJHAIGOJBUKTA-INIZCTEOSA-N 1 3 364.839 3.455 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367985 504078347 /nfs/dbraw/zinc/07/83/47/504078347.db2.gz GDMBWKSQKXQGEY-ZWKOTPCHSA-N 1 3 371.525 3.019 20 0 FGADHO C[C@H](CCNC(=O)C1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000544334802 504092196 /nfs/dbraw/zinc/09/21/96/504092196.db2.gz WFHDSWCGGAORCJ-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000519035403 504123420 /nfs/dbraw/zinc/12/34/20/504123420.db2.gz UDYIVHYWWYOYMY-QFIPXVFZSA-N 1 3 372.557 3.168 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633603 504162835 /nfs/dbraw/zinc/16/28/35/504162835.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633603 504162840 /nfs/dbraw/zinc/16/28/40/504162840.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 1 3 372.557 3.071 20 0 FGADHO O=C1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc2N1 ZINC000541541753 504170340 /nfs/dbraw/zinc/17/03/40/504170340.db2.gz DKHSZJDCHCRQDA-IBGZPJMESA-N 1 3 350.466 3.361 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707403 504228087 /nfs/dbraw/zinc/22/80/87/504228087.db2.gz PLOAXYXUAWKZSG-TUNNFDKTSA-N 1 3 360.542 3.461 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707403 504228089 /nfs/dbraw/zinc/22/80/89/504228089.db2.gz PLOAXYXUAWKZSG-TUNNFDKTSA-N 1 3 360.542 3.461 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000519479574 504228901 /nfs/dbraw/zinc/22/89/01/504228901.db2.gz DHDTWYAJFXAMED-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000531322889 504265955 /nfs/dbraw/zinc/26/59/55/504265955.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000531322889 504265961 /nfs/dbraw/zinc/26/59/61/504265961.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357243 504277451 /nfs/dbraw/zinc/27/74/51/504277451.db2.gz GVDAHCTYHVGBQM-LSDHHAIUSA-N 1 3 372.340 3.049 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342356 /nfs/dbraw/zinc/34/23/56/504342356.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342359 /nfs/dbraw/zinc/34/23/59/504342359.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 1 3 360.546 3.067 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000528995545 504487779 /nfs/dbraw/zinc/48/77/79/504487779.db2.gz JCDCWRNMEOYKPU-STZQEDGTSA-N 1 3 369.553 3.301 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000528995545 504487783 /nfs/dbraw/zinc/48/77/83/504487783.db2.gz JCDCWRNMEOYKPU-STZQEDGTSA-N 1 3 369.553 3.301 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCOC3CCCCCC3)CC2)CC1 ZINC000542594136 504548578 /nfs/dbraw/zinc/54/85/78/504548578.db2.gz JLNQDJJKZYGXFE-UHFFFAOYSA-N 1 3 351.579 3.075 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218683 504576667 /nfs/dbraw/zinc/57/66/67/504576667.db2.gz JKZQOIIHUCBIFA-OLZOCXBDSA-N 1 3 356.308 3.096 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532239207 504582415 /nfs/dbraw/zinc/58/24/15/504582415.db2.gz VAFNNACIMMVNKC-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532239207 504582418 /nfs/dbraw/zinc/58/24/18/504582418.db2.gz VAFNNACIMMVNKC-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO CC1CC[NH+](Cc2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000542729504 504589691 /nfs/dbraw/zinc/58/96/91/504589691.db2.gz XNWDTGBPXQGOGY-QFIPXVFZSA-N 1 3 365.521 3.105 20 0 FGADHO CC(C)C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523294 504682158 /nfs/dbraw/zinc/68/21/58/504682158.db2.gz VVNFNNZFEVBCIB-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1c1ccccc1 ZINC000543097618 504723742 /nfs/dbraw/zinc/72/37/42/504723742.db2.gz RRDWDSMADHDEPN-BULFRSBZSA-N 1 3 365.521 3.260 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116546 504785726 /nfs/dbraw/zinc/78/57/26/504785726.db2.gz WQAKKSHCFKTKKY-FXAWDEMLSA-N 1 3 370.493 3.008 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624043 504884454 /nfs/dbraw/zinc/88/44/54/504884454.db2.gz VSBGDBHUQBPACX-HXUWFJFHSA-N 1 3 372.557 3.202 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732273 504917500 /nfs/dbraw/zinc/91/75/00/504917500.db2.gz FKDSTQSCDWRBBA-VXKWHMMOSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732273 504917507 /nfs/dbraw/zinc/91/75/07/504917507.db2.gz FKDSTQSCDWRBBA-VXKWHMMOSA-N 1 3 361.493 3.252 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742870 504921457 /nfs/dbraw/zinc/92/14/57/504921457.db2.gz GUAYBSZGBSJCPM-QKLQHJQFSA-N 1 3 362.514 3.403 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750784 504933276 /nfs/dbraw/zinc/93/32/76/504933276.db2.gz VCLOJNGUDVZPRK-QGZVFWFLSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750784 504933280 /nfs/dbraw/zinc/93/32/80/504933280.db2.gz VCLOJNGUDVZPRK-QGZVFWFLSA-N 1 3 371.485 3.442 20 0 FGADHO C[C@]1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC[N@@H+]1Cc1ccccc1 ZINC000562772532 504940133 /nfs/dbraw/zinc/94/01/33/504940133.db2.gz GHPDIABZNOXQRX-JOCHJYFZSA-N 1 3 364.493 3.466 20 0 FGADHO C[C@]1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC[N@H+]1Cc1ccccc1 ZINC000562772532 504940138 /nfs/dbraw/zinc/94/01/38/504940138.db2.gz GHPDIABZNOXQRX-JOCHJYFZSA-N 1 3 364.493 3.466 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985174 505009957 /nfs/dbraw/zinc/00/99/57/505009957.db2.gz ICVAMZVQXQYEGS-DZGCQCFKSA-N 1 3 361.313 3.055 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026373 /nfs/dbraw/zinc/02/63/73/505026373.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 1 3 350.450 3.124 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026374 /nfs/dbraw/zinc/02/63/74/505026374.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 1 3 350.450 3.124 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054944 505034984 /nfs/dbraw/zinc/03/49/84/505034984.db2.gz CMXBVCWNXPUMTF-GUYCJALGSA-N 1 3 371.447 3.345 20 0 FGADHO CC(C)(N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000553965009 505054987 /nfs/dbraw/zinc/05/49/87/505054987.db2.gz FVBZXPPXJOJZJU-UHFFFAOYSA-N 1 3 351.494 3.303 20 0 FGADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000566092425 505078407 /nfs/dbraw/zinc/07/84/07/505078407.db2.gz LGXMKHKCLGLUMM-SFHVURJKSA-N 1 3 365.521 3.361 20 0 FGADHO CSc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000557156431 505080797 /nfs/dbraw/zinc/08/07/97/505080797.db2.gz HTEJTTQOKXPFFL-UHFFFAOYSA-N 1 3 358.939 3.019 20 0 FGADHO C[NH+](C)Cc1ccc(CNC[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000560481958 505098449 /nfs/dbraw/zinc/09/84/49/505098449.db2.gz XOHATJXUIGVSBY-JOCHJYFZSA-N 1 3 364.489 3.431 20 0 FGADHO C[NH+](C)Cc1ccc(CNC[C@H](O)COc2ccc3ccccc3c2)cc1 ZINC000560481959 505099186 /nfs/dbraw/zinc/09/91/86/505099186.db2.gz XOHATJXUIGVSBY-QFIPXVFZSA-N 1 3 364.489 3.431 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCCO1 ZINC000563300008 505101014 /nfs/dbraw/zinc/10/10/14/505101014.db2.gz ABLMWMQYJISVSS-CEWLAPEOSA-N 1 3 358.526 3.072 20 0 FGADHO CC[N@H+](CCC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319240 505107340 /nfs/dbraw/zinc/10/73/40/505107340.db2.gz YBIRVQAAVZLBKJ-HXUWFJFHSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319240 505107342 /nfs/dbraw/zinc/10/73/42/505107342.db2.gz YBIRVQAAVZLBKJ-HXUWFJFHSA-N 1 3 351.579 3.466 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886556 505120708 /nfs/dbraw/zinc/12/07/08/505120708.db2.gz HMCFIZLOOWAUDF-MSOLQXFVSA-N 1 3 355.530 3.423 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886556 505120709 /nfs/dbraw/zinc/12/07/09/505120709.db2.gz HMCFIZLOOWAUDF-MSOLQXFVSA-N 1 3 355.530 3.423 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087645 505155008 /nfs/dbraw/zinc/15/50/08/505155008.db2.gz VNXVQLPEMFGLPP-BJESRGMDSA-N 1 3 371.569 3.179 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000554449840 505176301 /nfs/dbraw/zinc/17/63/01/505176301.db2.gz PVBUOHLBPOEHJW-DZFGPLHGSA-N 1 3 368.525 3.280 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597633 505217113 /nfs/dbraw/zinc/21/71/13/505217113.db2.gz OCPVNYADEVEGSK-QYZOEREBSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@](CO)(CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804497 505243727 /nfs/dbraw/zinc/24/37/27/505243727.db2.gz PTLZNJUYPMGLQY-MZYLBHOOSA-N 1 3 366.505 3.073 20 0 FGADHO O=C(CC[NH2+]CC1CCN(c2ccncc2)CC1)Nc1cccc(F)c1 ZINC000566733557 505259001 /nfs/dbraw/zinc/25/90/01/505259001.db2.gz WGRBMKOMBNQEED-UHFFFAOYSA-N 1 3 356.445 3.056 20 0 FGADHO CCc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000554855795 505282201 /nfs/dbraw/zinc/28/22/01/505282201.db2.gz BAKQSYVUIDLTGX-UHFFFAOYSA-N 1 3 358.574 3.272 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882255 505288908 /nfs/dbraw/zinc/28/89/08/505288908.db2.gz JPASUJUBYWCBPS-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882255 505288911 /nfs/dbraw/zinc/28/89/11/505288911.db2.gz JPASUJUBYWCBPS-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555133781 505359628 /nfs/dbraw/zinc/35/96/28/505359628.db2.gz WRJBKCHFCCTJRF-YJBOKZPZSA-N 1 3 366.937 3.116 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376994 505370968 /nfs/dbraw/zinc/37/09/68/505370968.db2.gz HADYWYSWFOILLD-QFBILLFUSA-N 1 3 372.513 3.270 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000564374343 505398656 /nfs/dbraw/zinc/39/86/56/505398656.db2.gz VPHIBWIPFLVQFU-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000564374343 505398662 /nfs/dbraw/zinc/39/86/62/505398662.db2.gz VPHIBWIPFLVQFU-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CCOCC1)c1ccccc1 ZINC000552249948 505440892 /nfs/dbraw/zinc/44/08/92/505440892.db2.gz QIPJQXVXWVXKEQ-UVUJQTEASA-N 1 3 371.569 3.349 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccccc1C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558931752 505532956 /nfs/dbraw/zinc/53/29/56/505532956.db2.gz CNISHPPWXXSWBI-LJQANCHMSA-N 1 3 359.901 3.434 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989519 505565871 /nfs/dbraw/zinc/56/58/71/505565871.db2.gz PNFLNWYEBCCLDV-CAMMJAKZSA-N 1 3 369.509 3.320 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C3CCCC2CCC3)CC1 ZINC000608499345 506588914 /nfs/dbraw/zinc/58/89/14/506588914.db2.gz HQOYDNSTBRAXID-UHFFFAOYSA-N 1 3 369.553 3.483 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000589639025 506615058 /nfs/dbraw/zinc/61/50/58/506615058.db2.gz NWXQLRRNVMDRSY-CALCHBBNSA-N 1 3 364.493 3.462 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1C ZINC000583230566 506661970 /nfs/dbraw/zinc/66/19/70/506661970.db2.gz AKVZESJCDJBAIC-FQEVSTJZSA-N 1 3 374.525 3.019 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1C ZINC000583230566 506661978 /nfs/dbraw/zinc/66/19/78/506661978.db2.gz AKVZESJCDJBAIC-FQEVSTJZSA-N 1 3 374.525 3.019 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112285 506718559 /nfs/dbraw/zinc/71/85/59/506718559.db2.gz SMQCXFBCEHBARD-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590078970 506727814 /nfs/dbraw/zinc/72/78/14/506727814.db2.gz MJJHOAANWVNUTN-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590078970 506727823 /nfs/dbraw/zinc/72/78/23/506727823.db2.gz MJJHOAANWVNUTN-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171437 506733842 /nfs/dbraw/zinc/73/38/42/506733842.db2.gz KWQFAVUUQZGZJW-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171437 506733849 /nfs/dbraw/zinc/73/38/49/506733849.db2.gz KWQFAVUUQZGZJW-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186130 506822447 /nfs/dbraw/zinc/82/24/47/506822447.db2.gz FJSPDYQIHKBLTI-OAQYLSRUSA-N 1 3 356.535 3.276 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583565148 506851714 /nfs/dbraw/zinc/85/17/14/506851714.db2.gz SJEAYWKSAJPRDV-DEVSCXNHSA-N 1 3 369.553 3.063 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963853 506854013 /nfs/dbraw/zinc/85/40/13/506854013.db2.gz FCAWMEJRTLRMDG-PZJWPPBQSA-N 1 3 373.516 3.125 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000604786643 506942567 /nfs/dbraw/zinc/94/25/67/506942567.db2.gz FRTYDTXKBRCWNC-ICSRJNTNSA-N 1 3 361.505 3.027 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789019 506943087 /nfs/dbraw/zinc/94/30/87/506943087.db2.gz XFEHLSIWARLKAU-PMACEKPBSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000583802319 506982505 /nfs/dbraw/zinc/98/25/05/506982505.db2.gz QKSKCKBTBVCRDT-RMVXJAJNSA-N 1 3 372.557 3.371 20 0 FGADHO CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000584290127 507261885 /nfs/dbraw/zinc/26/18/85/507261885.db2.gz FBIWUWLWGZUMND-QWFCFKBJSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N(C)C1CC1 ZINC000591554111 507290141 /nfs/dbraw/zinc/29/01/41/507290141.db2.gz PITHKYITDSOJFQ-GOSISDBHSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000598175402 507296352 /nfs/dbraw/zinc/29/63/52/507296352.db2.gz GEIRWNHWLVLMRB-QZTJIDSGSA-N 1 3 360.546 3.145 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000598175402 507296359 /nfs/dbraw/zinc/29/63/59/507296359.db2.gz GEIRWNHWLVLMRB-QZTJIDSGSA-N 1 3 360.546 3.145 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3cccs3)CC2)CC1 ZINC000584359503 507302449 /nfs/dbraw/zinc/30/24/49/507302449.db2.gz DXFAEDCRZGOXPD-UHFFFAOYSA-N 1 3 363.571 3.296 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccsc1 ZINC000601243242 507309479 /nfs/dbraw/zinc/30/94/79/507309479.db2.gz SPXPRTYONTYLJL-ZWKOTPCHSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000584458138 507356733 /nfs/dbraw/zinc/35/67/33/507356733.db2.gz QTRLRPCETHHXBW-HOTGVXAUSA-N 1 3 358.530 3.210 20 0 FGADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584663721 507437582 /nfs/dbraw/zinc/43/75/82/507437582.db2.gz KBSCJTPUZNYWLH-JOCHJYFZSA-N 1 3 365.521 3.137 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381562 507475920 /nfs/dbraw/zinc/47/59/20/507475920.db2.gz LJGYPJYMASMKDO-KRWDZBQOSA-N 1 3 361.530 3.010 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419942 608328941 /nfs/dbraw/zinc/32/89/41/608328941.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419942 608328943 /nfs/dbraw/zinc/32/89/43/608328943.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)C ZINC000825419942 608328945 /nfs/dbraw/zinc/32/89/45/608328945.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)C ZINC000825419942 608328947 /nfs/dbraw/zinc/32/89/47/608328947.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584810 609335122 /nfs/dbraw/zinc/33/51/22/609335122.db2.gz HUCJNXRVULRMQT-HNNXBMFYSA-N 1 3 360.481 3.313 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219352 /nfs/dbraw/zinc/21/93/52/700219352.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 1 3 353.551 3.440 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219356 /nfs/dbraw/zinc/21/93/56/700219356.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 1 3 353.551 3.440 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831631 700832004 /nfs/dbraw/zinc/83/20/04/700832004.db2.gz PBFBRDXGPWSNMB-GOSISDBHSA-N 1 3 353.551 3.344 20 0 FGADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187289274 712738098 /nfs/dbraw/zinc/73/80/98/712738098.db2.gz UZGUOGJMOOEBBO-DZGCQCFKSA-N 1 3 373.335 3.471 20 0 FGADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000236674498 713582184 /nfs/dbraw/zinc/58/21/84/713582184.db2.gz JNZZCJWEAKBMSL-MRXNPFEDSA-N 1 3 351.560 3.402 20 0 FGADHO CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507133 714663323 /nfs/dbraw/zinc/66/33/23/714663323.db2.gz JTXIUOXWOVWTOE-AWEZNQCLSA-N 1 3 371.978 3.454 20 0 FGADHO CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507133 714663325 /nfs/dbraw/zinc/66/33/25/714663325.db2.gz JTXIUOXWOVWTOE-AWEZNQCLSA-N 1 3 371.978 3.454 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000617507399 714663476 /nfs/dbraw/zinc/66/34/76/714663476.db2.gz VJPVGHJZQALXCD-AWEZNQCLSA-N 1 3 371.928 3.145 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000617507399 714663478 /nfs/dbraw/zinc/66/34/78/714663478.db2.gz VJPVGHJZQALXCD-AWEZNQCLSA-N 1 3 371.928 3.145 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422993 715333235 /nfs/dbraw/zinc/33/32/35/715333235.db2.gz PFTBWVQDOKVHBP-CABCVRRESA-N 1 3 353.457 3.329 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422993 715333242 /nfs/dbraw/zinc/33/32/42/715333242.db2.gz PFTBWVQDOKVHBP-CABCVRRESA-N 1 3 353.457 3.329 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623439040 715336571 /nfs/dbraw/zinc/33/65/71/715336571.db2.gz UFSBJGXPEMCVJH-CQSZACIVSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439040 715336574 /nfs/dbraw/zinc/33/65/74/715336574.db2.gz UFSBJGXPEMCVJH-CQSZACIVSA-N 1 3 353.894 3.140 20 0 FGADHO Cc1cc(Br)ccc1[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580383 716311108 /nfs/dbraw/zinc/31/11/08/716311108.db2.gz ABYNPRIABRRJIV-RDJZCZTQSA-N 1 3 365.315 3.415 20 0 FGADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000638529826 717454663 /nfs/dbraw/zinc/45/46/63/717454663.db2.gz FLUMVLDTYSUQJI-ICSRJNTNSA-N 1 3 366.933 3.193 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210941 717532625 /nfs/dbraw/zinc/53/26/25/717532625.db2.gz PQEDONOQAMLYFQ-MISYRCLQSA-N 1 3 360.567 3.399 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1SCCc2ccccc21 ZINC000644584915 718128972 /nfs/dbraw/zinc/12/89/72/718128972.db2.gz VABQAROBCNLSQH-CTNGQTDRSA-N 1 3 356.535 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1SCCc2ccccc21 ZINC000644584915 718128973 /nfs/dbraw/zinc/12/89/73/718128973.db2.gz VABQAROBCNLSQH-CTNGQTDRSA-N 1 3 356.535 3.100 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976291 718391473 /nfs/dbraw/zinc/39/14/73/718391473.db2.gz MOTVEDLHFCAIAU-GJZGRUSLSA-N 1 3 369.962 3.072 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC000650705611 718717083 /nfs/dbraw/zinc/71/70/83/718717083.db2.gz NSDQFDOPHYXUJQ-USXIJHARSA-N 1 3 353.304 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723164 718720795 /nfs/dbraw/zinc/72/07/95/718720795.db2.gz IETRBIBSCDKGNS-FHLIZLRMSA-N 1 3 358.511 3.066 20 0 FGADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723676 718721305 /nfs/dbraw/zinc/72/13/05/718721305.db2.gz RPFFIEOXYNZTKP-ZACQAIPSSA-N 1 3 350.528 3.278 20 0 FGADHO CN1CCC(C[NH2+]Cc2cc3ccncc3s2)(N2CCCCC2)CC1 ZINC000657376953 719635681 /nfs/dbraw/zinc/63/56/81/719635681.db2.gz LRAMBDRIGDKSMG-UHFFFAOYSA-N 1 3 358.555 3.336 20 0 FGADHO C[C@@H]1CN(CCSc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660153726 719998197 /nfs/dbraw/zinc/99/81/97/719998197.db2.gz HEMAKDPUEBPUKJ-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000660153726 719998200 /nfs/dbraw/zinc/99/82/00/719998200.db2.gz HEMAKDPUEBPUKJ-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000660153726 719998202 /nfs/dbraw/zinc/99/82/02/719998202.db2.gz HEMAKDPUEBPUKJ-APWZRJJASA-N 1 3 367.990 3.390 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338950 720032999 /nfs/dbraw/zinc/03/29/99/720032999.db2.gz NSTJUPUPRLRRHR-IRXDYDNUSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338950 720033001 /nfs/dbraw/zinc/03/30/01/720033001.db2.gz NSTJUPUPRLRRHR-IRXDYDNUSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000662679429 720451903 /nfs/dbraw/zinc/45/19/03/720451903.db2.gz OOXJGLJWIOGNIF-LJQANCHMSA-N 1 3 357.523 3.207 20 0 FGADHO C[C@@H](N[C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773015 722047535 /nfs/dbraw/zinc/04/75/35/722047535.db2.gz QFBDQVJAHHKPPS-DYVFJYSZSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700802282 722409827 /nfs/dbraw/zinc/40/98/27/722409827.db2.gz HJQNIIVBGHLZJY-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458760 722413198 /nfs/dbraw/zinc/41/31/98/722413198.db2.gz OFBJUYLKQVHILF-XDNAFOTISA-N 1 3 351.535 3.096 20 0 FGADHO COc1nsc(CNC2CCC(C)([NH+](C)C)CC2)c1Br ZINC000715582435 722415925 /nfs/dbraw/zinc/41/59/25/722415925.db2.gz FHGQJPQCIVKJGG-UHFFFAOYSA-N 1 3 362.337 3.267 20 0 FGADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047060 722949671 /nfs/dbraw/zinc/94/96/71/722949671.db2.gz DRQDVXXRERREQB-BZSNNMDCSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1c(CNCCC[N@@H+]2CCCO[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483052 723247323 /nfs/dbraw/zinc/24/73/23/723247323.db2.gz OHQBXYBHVNVNMZ-CYBMUJFWSA-N 1 3 362.543 3.207 20 0 FGADHO Cc1c(CNCCC[N@H+]2CCCO[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483052 723247326 /nfs/dbraw/zinc/24/73/26/723247326.db2.gz OHQBXYBHVNVNMZ-CYBMUJFWSA-N 1 3 362.543 3.207 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764469283 723416171 /nfs/dbraw/zinc/41/61/71/723416171.db2.gz OFFNEQUQIJXHFM-YJBOKZPZSA-N 1 3 369.525 3.459 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764469283 723416172 /nfs/dbraw/zinc/41/61/72/723416172.db2.gz OFFNEQUQIJXHFM-YJBOKZPZSA-N 1 3 369.525 3.459 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012050 724353789 /nfs/dbraw/zinc/35/37/89/724353789.db2.gz HQGLEZWDWRSPTC-YJBOKZPZSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785442570 724912886 /nfs/dbraw/zinc/91/28/86/724912886.db2.gz OKMNKNNEHMALBY-KRWDZBQOSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000810487352 725310259 /nfs/dbraw/zinc/31/02/59/725310259.db2.gz QSBATPCWLALIJZ-LBXVMSDZSA-N 1 3 353.526 3.112 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525720 725372628 /nfs/dbraw/zinc/37/26/28/725372628.db2.gz XXCYLRUMLVROAB-KHYOSLBOSA-N 1 3 353.482 3.038 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525720 725372629 /nfs/dbraw/zinc/37/26/29/725372629.db2.gz XXCYLRUMLVROAB-KHYOSLBOSA-N 1 3 353.482 3.038 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339910 727308161 /nfs/dbraw/zinc/30/81/61/727308161.db2.gz FYUBAFLMJWWVOS-ZDUSSCGKSA-N 1 3 369.481 3.404 20 0 FGADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819043238 727341498 /nfs/dbraw/zinc/34/14/98/727341498.db2.gz QPTSYTXOHUIMAI-QGZVFWFLSA-N 1 3 373.310 3.476 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC000819078271 727345403 /nfs/dbraw/zinc/34/54/03/727345403.db2.gz IBOUVZKSLAQBOU-CJNGLKHVSA-N 1 3 359.283 3.086 20 0 FGADHO C[NH+](C)CC[C@@H](NC[C@@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083241 727346013 /nfs/dbraw/zinc/34/60/13/727346013.db2.gz YJVBTXKJASAUOH-HZPDHXFCSA-N 1 3 357.336 3.439 20 0 FGADHO C[C@H]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451638 729176449 /nfs/dbraw/zinc/17/64/49/729176449.db2.gz NMAUHSNACKHSJF-RDJZCZTQSA-N 1 3 351.535 3.381 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465421 729283137 /nfs/dbraw/zinc/28/31/37/729283137.db2.gz YBRDNZXHMOTDCC-QZTJIDSGSA-N 1 3 353.551 3.201 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828121626 729440234 /nfs/dbraw/zinc/44/02/34/729440234.db2.gz GBMNGZHJYIDHGA-LJQANCHMSA-N 1 3 351.535 3.194 20 0 FGADHO C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398377 730614355 /nfs/dbraw/zinc/61/43/55/730614355.db2.gz IBWKPPQAEBDXLF-YJBOKZPZSA-N 1 3 351.535 3.096 20 0 FGADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554452 731372516 /nfs/dbraw/zinc/37/25/16/731372516.db2.gz DARCQHDNFUWDIB-QAPCUYQASA-N 1 3 373.324 3.260 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H](CNC1CC[NH+](C2CCC2)CC1)CC(F)F ZINC000865434950 733199884 /nfs/dbraw/zinc/19/98/84/733199884.db2.gz WLQDPGFWZWOHAM-CQSZACIVSA-N 1 3 361.477 3.141 20 0 FGADHO c1c(CNCc2ccc(N3CCCCCC3)nc2)sc2c1C[NH2+]CC2 ZINC000873212489 735738668 /nfs/dbraw/zinc/73/86/68/735738668.db2.gz MARUVDBXYXXIEG-UHFFFAOYSA-N 1 3 356.539 3.459 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000877201428 736197993 /nfs/dbraw/zinc/19/79/93/736197993.db2.gz YCLXGZQGZZGNCB-KRWDZBQOSA-N 1 3 366.937 3.060 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516874 740011390 /nfs/dbraw/zinc/01/13/90/740011390.db2.gz QBKPOVNMTUJXFN-ZNMIVQPWSA-N 1 3 352.441 3.217 20 0 FGADHO CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209587 742124677 /nfs/dbraw/zinc/12/46/77/742124677.db2.gz LIBLQPIGLKCNRT-JZRNTERHSA-N 1 3 351.897 3.439 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328279 742140733 /nfs/dbraw/zinc/14/07/33/742140733.db2.gz WPJQOLHVXQOXLA-MOPGFXCFSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328279 742140739 /nfs/dbraw/zinc/14/07/39/742140739.db2.gz WPJQOLHVXQOXLA-MOPGFXCFSA-N 1 3 350.478 3.250 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790660 743884310 /nfs/dbraw/zinc/88/43/10/743884310.db2.gz ULFLIFSJDLHKGG-WBVHZDCISA-N 1 3 363.571 3.497 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)CC2 ZINC000904392083 743951467 /nfs/dbraw/zinc/95/14/67/743951467.db2.gz MRHXYNJPXBYKGD-QGZVFWFLSA-N 1 3 360.889 3.060 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1Br ZINC000925776957 759533874 /nfs/dbraw/zinc/53/38/74/759533874.db2.gz BKXWVILMUYUJJC-PWSUYJOCSA-N 1 3 363.246 3.353 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000971572858 762915036 /nfs/dbraw/zinc/91/50/36/762915036.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000971572858 762915040 /nfs/dbraw/zinc/91/50/40/762915040.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCCN(C/C=C/Cl)CC2)CC[N@@H+]1C ZINC000998006641 765091911 /nfs/dbraw/zinc/09/19/11/765091911.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCCN(C/C=C/Cl)CC2)CC[N@H+]1C ZINC000998006641 765091918 /nfs/dbraw/zinc/09/19/18/765091918.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 1 3 355.954 3.172 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000576789078 505594317 /nfs/dbraw/zinc/59/43/17/505594317.db2.gz AFXZZTGMOJKRQA-JOCHJYFZSA-N 1 3 359.558 3.346 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000576789078 505594320 /nfs/dbraw/zinc/59/43/20/505594320.db2.gz AFXZZTGMOJKRQA-JOCHJYFZSA-N 1 3 359.558 3.346 20 0 FGADHO COc1ncccc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000573734551 505607259 /nfs/dbraw/zinc/60/72/59/505607259.db2.gz ZFJPUNWMVYMQJF-WKCHPHFGSA-N 1 3 351.494 3.418 20 0 FGADHO COc1ncccc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000573734551 505607261 /nfs/dbraw/zinc/60/72/61/505607261.db2.gz ZFJPUNWMVYMQJF-WKCHPHFGSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746311 505611860 /nfs/dbraw/zinc/61/18/60/505611860.db2.gz OCLJPIBLZNSBMI-GCJKJVERSA-N 1 3 365.521 3.041 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865177 505612314 /nfs/dbraw/zinc/61/23/14/505612314.db2.gz ZTHVYZMESKQJDF-HXUWFJFHSA-N 1 3 356.514 3.190 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865177 505612318 /nfs/dbraw/zinc/61/23/18/505612318.db2.gz ZTHVYZMESKQJDF-HXUWFJFHSA-N 1 3 356.514 3.190 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4ncsc4c3)CC2)CC1 ZINC000573861459 505638407 /nfs/dbraw/zinc/63/84/07/505638407.db2.gz XRPAKNXLOCAOHG-UHFFFAOYSA-N 1 3 372.538 3.431 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000571122540 505657783 /nfs/dbraw/zinc/65/77/83/505657783.db2.gz GXNKHZYFMXPVFH-IRXDYDNUSA-N 1 3 372.513 3.381 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000571193841 505676342 /nfs/dbraw/zinc/67/63/42/505676342.db2.gz WTOSDDSYVXPHLW-MRXNPFEDSA-N 1 3 374.504 3.175 20 0 FGADHO C[C@H](C1CC1)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675131 493949191 /nfs/dbraw/zinc/94/91/91/493949191.db2.gz AMBLRPHCMYMGMO-QGZVFWFLSA-N 1 3 355.526 3.162 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000574090613 505691112 /nfs/dbraw/zinc/69/11/12/505691112.db2.gz UIWCEIAJWDLEAL-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000574090613 505691119 /nfs/dbraw/zinc/69/11/19/505691119.db2.gz UIWCEIAJWDLEAL-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387468 494118438 /nfs/dbraw/zinc/11/84/38/494118438.db2.gz MQEZZGARMJJWIN-YSIASYRMSA-N 1 3 360.546 3.051 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387468 494118441 /nfs/dbraw/zinc/11/84/41/494118441.db2.gz MQEZZGARMJJWIN-YSIASYRMSA-N 1 3 360.546 3.051 20 0 FGADHO O=C(CCC[NH2+]C1CCN(C2CCCC2)CC1)N1Cc2ccccc2C1 ZINC000089597236 494328704 /nfs/dbraw/zinc/32/87/04/494328704.db2.gz SOPIOIMOBRIUQC-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO O=C(CCCNC1CC[NH+](C2CCCC2)CC1)N1Cc2ccccc2C1 ZINC000089597236 494328707 /nfs/dbraw/zinc/32/87/07/494328707.db2.gz SOPIOIMOBRIUQC-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000044277461 494346786 /nfs/dbraw/zinc/34/67/86/494346786.db2.gz FUJVQHMBWXMHJB-UHFFFAOYSA-N 1 3 354.498 3.392 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000044277461 494346788 /nfs/dbraw/zinc/34/67/88/494346788.db2.gz FUJVQHMBWXMHJB-UHFFFAOYSA-N 1 3 354.498 3.392 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259588 505715131 /nfs/dbraw/zinc/71/51/31/505715131.db2.gz OUEPKVQQWNKHOU-NRFANRHFSA-N 1 3 369.557 3.233 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259588 505715134 /nfs/dbraw/zinc/71/51/34/505715134.db2.gz OUEPKVQQWNKHOU-NRFANRHFSA-N 1 3 369.557 3.233 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000073897394 494444221 /nfs/dbraw/zinc/44/42/21/494444221.db2.gz AJYSSVBOMLOWFD-FQEVSTJZSA-N 1 3 360.546 3.019 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000073897531 494444420 /nfs/dbraw/zinc/44/44/20/494444420.db2.gz UXZQGMSPXOLYNP-VQTJNVASSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000073897531 494444423 /nfs/dbraw/zinc/44/44/23/494444423.db2.gz UXZQGMSPXOLYNP-VQTJNVASSA-N 1 3 360.546 3.114 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895174 494444527 /nfs/dbraw/zinc/44/45/27/494444527.db2.gz BHHWOLNYRFUZNH-OAQYLSRUSA-N 1 3 356.510 3.384 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895174 494444531 /nfs/dbraw/zinc/44/45/31/494444531.db2.gz BHHWOLNYRFUZNH-OAQYLSRUSA-N 1 3 356.510 3.384 20 0 FGADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC000074168723 494491484 /nfs/dbraw/zinc/49/14/84/494491484.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N(C)Cc1ccccc1 ZINC000074168723 494491488 /nfs/dbraw/zinc/49/14/88/494491488.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](NCc1ccnc(N2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131407645 494608750 /nfs/dbraw/zinc/60/87/50/494608750.db2.gz FIBIXVWEOVQBKJ-SFHVURJKSA-N 1 3 368.525 3.473 20 0 FGADHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1F ZINC000092427143 494624287 /nfs/dbraw/zinc/62/42/87/494624287.db2.gz DQPBVVSBYROSED-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092564290 494671233 /nfs/dbraw/zinc/67/12/33/494671233.db2.gz PVUVFXZGRKROEE-YXWAVELNSA-N 1 3 368.562 3.366 20 0 FGADHO CC[C@@H]1C[C@@H](C)CN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022650 494675825 /nfs/dbraw/zinc/67/58/25/494675825.db2.gz KLXIDJYUNXKABF-DYESRHJHSA-N 1 3 357.542 3.196 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075503419 494778760 /nfs/dbraw/zinc/77/87/60/494778760.db2.gz GOGNSNOMUIDDJM-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075503419 494778766 /nfs/dbraw/zinc/77/87/66/494778766.db2.gz GOGNSNOMUIDDJM-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000116440426 494786028 /nfs/dbraw/zinc/78/60/28/494786028.db2.gz BDSVLOKLNDCRIP-FQEVSTJZSA-N 1 3 374.573 3.270 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000132074350 494813297 /nfs/dbraw/zinc/81/32/97/494813297.db2.gz HKLOLYBOOKSHEV-WIYYLYMNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CCC(C)(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132139068 494826831 /nfs/dbraw/zinc/82/68/31/494826831.db2.gz BSGARBDICHRBBN-MRXNPFEDSA-N 1 3 352.567 3.059 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907552 /nfs/dbraw/zinc/90/75/52/494907552.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 1 3 362.514 3.017 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907554 /nfs/dbraw/zinc/90/75/54/494907554.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 1 3 362.514 3.017 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093769428 494919306 /nfs/dbraw/zinc/91/93/06/494919306.db2.gz UZHHQKLDOSOACH-UHFFFAOYSA-N 1 3 374.573 3.252 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093769428 494919308 /nfs/dbraw/zinc/91/93/08/494919308.db2.gz UZHHQKLDOSOACH-UHFFFAOYSA-N 1 3 374.573 3.252 20 0 FGADHO C[C@@H](CNCc1ccccc1N(C)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000133098723 494968952 /nfs/dbraw/zinc/96/89/52/494968952.db2.gz PZKSYNWGDGZFSP-IBGZPJMESA-N 1 3 358.574 3.039 20 0 FGADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128298996 495075220 /nfs/dbraw/zinc/07/52/20/495075220.db2.gz FQCXCFZMHUEZTM-IBGZPJMESA-N 1 3 374.573 3.144 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133950299 495085532 /nfs/dbraw/zinc/08/55/32/495085532.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 1 3 372.601 3.427 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133950299 495085536 /nfs/dbraw/zinc/08/55/36/495085536.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 1 3 372.601 3.427 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000128643325 495128375 /nfs/dbraw/zinc/12/83/75/495128375.db2.gz SRRVGDRVLCDUJH-QGZVFWFLSA-N 1 3 361.530 3.117 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128643325 495128379 /nfs/dbraw/zinc/12/83/79/495128379.db2.gz SRRVGDRVLCDUJH-QGZVFWFLSA-N 1 3 361.530 3.117 20 0 FGADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000128697020 495137067 /nfs/dbraw/zinc/13/70/67/495137067.db2.gz BKBYWWBPYUHEEX-GOSISDBHSA-N 1 3 371.447 3.190 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702246 495138430 /nfs/dbraw/zinc/13/84/30/495138430.db2.gz QAQZIIZYKZSVJW-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO COCC1CCN(Cc2cccc(C[NH+]3CCC(COC)CC3)c2)CC1 ZINC000112355589 495180423 /nfs/dbraw/zinc/18/04/23/495180423.db2.gz DDUFATCGILTCHG-UHFFFAOYSA-N 1 3 360.542 3.403 20 0 FGADHO CCC[C@@H](C)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545453 495187375 /nfs/dbraw/zinc/18/73/75/495187375.db2.gz NMOIDISFUJMMIY-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119589258 495196745 /nfs/dbraw/zinc/19/67/45/495196745.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119589258 495196748 /nfs/dbraw/zinc/19/67/48/495196748.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 1 3 372.557 3.165 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119639764 495208480 /nfs/dbraw/zinc/20/84/80/495208480.db2.gz MVPAGJOCFLUDNU-QFIPXVFZSA-N 1 3 365.521 3.447 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119639764 495208485 /nfs/dbraw/zinc/20/84/85/495208485.db2.gz MVPAGJOCFLUDNU-QFIPXVFZSA-N 1 3 365.521 3.447 20 0 FGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)Cn2cc(Br)cn2)c1 ZINC000123943668 495209987 /nfs/dbraw/zinc/20/99/87/495209987.db2.gz RDPJABKEFHDWLG-AWEZNQCLSA-N 1 3 365.319 3.276 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)Cn2cc(Br)cn2)c1 ZINC000123943668 495209991 /nfs/dbraw/zinc/20/99/91/495209991.db2.gz RDPJABKEFHDWLG-AWEZNQCLSA-N 1 3 365.319 3.276 20 0 FGADHO O=C(CCNCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000113346763 495299008 /nfs/dbraw/zinc/29/90/08/495299008.db2.gz UQXUNICBHVNAMJ-UHFFFAOYSA-N 1 3 367.493 3.280 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855741 495305509 /nfs/dbraw/zinc/30/55/09/495305509.db2.gz YONVODPQMDIMJT-QGZVFWFLSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855741 495305511 /nfs/dbraw/zinc/30/55/11/495305511.db2.gz YONVODPQMDIMJT-QGZVFWFLSA-N 1 3 352.910 3.220 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113577560 495316397 /nfs/dbraw/zinc/31/63/97/495316397.db2.gz SAVQSXUVAAVOIK-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000113586117 495317507 /nfs/dbraw/zinc/31/75/07/495317507.db2.gz POXBUZHEERWOCZ-MRXNPFEDSA-N 1 3 358.530 3.042 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000113611523 495321083 /nfs/dbraw/zinc/32/10/83/495321083.db2.gz ZMIDAUGOIULJGI-UHFFFAOYSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000113611523 495321087 /nfs/dbraw/zinc/32/10/87/495321087.db2.gz ZMIDAUGOIULJGI-UHFFFAOYSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105134911 495339749 /nfs/dbraw/zinc/33/97/49/495339749.db2.gz NSGDMPJWBDHUGM-WOJBJXKFSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105134911 495339753 /nfs/dbraw/zinc/33/97/53/495339753.db2.gz NSGDMPJWBDHUGM-WOJBJXKFSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105134914 495340252 /nfs/dbraw/zinc/34/02/52/495340252.db2.gz NSGDMPJWBDHUGM-VQTJNVASSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105134914 495340254 /nfs/dbraw/zinc/34/02/54/495340254.db2.gz NSGDMPJWBDHUGM-VQTJNVASSA-N 1 3 364.578 3.158 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1n1cccn1 ZINC000568785899 505776799 /nfs/dbraw/zinc/77/67/99/505776799.db2.gz LCVDUXZBYLEODU-PWRODBHTSA-N 1 3 370.541 3.349 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1n1cccn1 ZINC000568785899 505776803 /nfs/dbraw/zinc/77/68/03/505776803.db2.gz LCVDUXZBYLEODU-PWRODBHTSA-N 1 3 370.541 3.349 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480478 495365707 /nfs/dbraw/zinc/36/57/07/495365707.db2.gz AKQAHMJMLNGMGM-BBRMVZONSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480478 495365708 /nfs/dbraw/zinc/36/57/08/495365708.db2.gz AKQAHMJMLNGMGM-BBRMVZONSA-N 1 3 352.404 3.321 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000130384231 495384072 /nfs/dbraw/zinc/38/40/72/495384072.db2.gz FAPQZYQXXYSXBE-UHFFFAOYSA-N 1 3 365.521 3.451 20 0 FGADHO Cc1nc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000125083585 495388561 /nfs/dbraw/zinc/38/85/61/495388561.db2.gz KQMZSCRSQPOZRN-IYBDPMFKSA-N 1 3 351.560 3.205 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000107327410 495525234 /nfs/dbraw/zinc/52/52/34/495525234.db2.gz ZEZWGCUJTRESST-GOSISDBHSA-N 1 3 366.575 3.305 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154245249 495555418 /nfs/dbraw/zinc/55/54/18/495555418.db2.gz SOCHSNMMVODORL-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000182448289 495567991 /nfs/dbraw/zinc/56/79/91/495567991.db2.gz JZLOWUMBJZQOAY-TXTKFYIRSA-N 1 3 374.569 3.191 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000154352130 495588895 /nfs/dbraw/zinc/58/88/95/495588895.db2.gz TVMQKABWMCOFAY-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000154510371 495637713 /nfs/dbraw/zinc/63/77/13/495637713.db2.gz QBWKWINOERIHPC-FQEVSTJZSA-N 1 3 357.542 3.440 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173747000 495674899 /nfs/dbraw/zinc/67/48/99/495674899.db2.gz ACWXGTISJHWHDG-WIYYLYMNSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173747000 495674902 /nfs/dbraw/zinc/67/49/02/495674902.db2.gz ACWXGTISJHWHDG-WIYYLYMNSA-N 1 3 372.557 3.084 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(Br)c1 ZINC000150952512 495692609 /nfs/dbraw/zinc/69/26/09/495692609.db2.gz VUTWUEKBLJOABB-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000151003574 495708889 /nfs/dbraw/zinc/70/88/89/495708889.db2.gz GBGOURIPATZNGG-SFHVURJKSA-N 1 3 352.526 3.425 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173993841 495780123 /nfs/dbraw/zinc/78/01/23/495780123.db2.gz OAQJLZMSNLHMKN-SEJPIABJSA-N 1 3 372.557 3.295 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000173993841 495780128 /nfs/dbraw/zinc/78/01/28/495780128.db2.gz OAQJLZMSNLHMKN-SEJPIABJSA-N 1 3 372.557 3.295 20 0 FGADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000151379336 495821245 /nfs/dbraw/zinc/82/12/45/495821245.db2.gz MQMMBKNTFNPVAD-QGZVFWFLSA-N 1 3 355.320 3.337 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000186036958 495830892 /nfs/dbraw/zinc/83/08/92/495830892.db2.gz QLFSTTFGSHEAQV-QFIPXVFZSA-N 1 3 357.542 3.073 20 0 FGADHO C[C@H](NCc1cccnc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151441265 495840886 /nfs/dbraw/zinc/84/08/86/495840886.db2.gz ONIKOCFAKBZTEY-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO COCOc1ccc(OC)cc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000180274538 495932718 /nfs/dbraw/zinc/93/27/18/495932718.db2.gz UOCZNJIMKNSUKZ-UHFFFAOYSA-N 1 3 371.481 3.079 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453640 495965563 /nfs/dbraw/zinc/96/55/63/495965563.db2.gz ZHWAWQLSNMQIHH-HLAWJBBLSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453640 495965567 /nfs/dbraw/zinc/96/55/67/495965567.db2.gz ZHWAWQLSNMQIHH-HLAWJBBLSA-N 1 3 372.557 3.256 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccccc2O)CC1 ZINC000151856863 495970931 /nfs/dbraw/zinc/97/09/31/495970931.db2.gz QXLMUVJNRCYZRS-UHFFFAOYSA-N 1 3 353.510 3.257 20 0 FGADHO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171656183 495975533 /nfs/dbraw/zinc/97/55/33/495975533.db2.gz GPNJVBVXVKQAFS-QGZVFWFLSA-N 1 3 359.558 3.435 20 0 FGADHO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1cccc(OCCN(C)C)c1 ZINC000180391544 495977349 /nfs/dbraw/zinc/97/73/49/495977349.db2.gz PZJDDYWHRVNSMO-OXJNMPFZSA-N 1 3 367.493 3.404 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697415 496038991 /nfs/dbraw/zinc/03/89/91/496038991.db2.gz MEFGJNAADCUKAN-CVEARBPZSA-N 1 3 351.560 3.094 20 0 FGADHO O=C(CN1C[C@@H]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513848 496093355 /nfs/dbraw/zinc/09/33/55/496093355.db2.gz LSYYOHQDOJVLSI-OYRHEFFESA-N 1 3 355.526 3.021 20 0 FGADHO CC(C)N1CCC[C@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702930 496164898 /nfs/dbraw/zinc/16/48/98/496164898.db2.gz PBAUMZNWDLYMRI-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)N1CCC[C@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702930 496164903 /nfs/dbraw/zinc/16/49/03/496164903.db2.gz PBAUMZNWDLYMRI-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)C2 ZINC000180907225 496195055 /nfs/dbraw/zinc/19/50/55/496195055.db2.gz DETPXWLWRCIBSV-VGOFRKELSA-N 1 3 365.521 3.310 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000175027774 496215237 /nfs/dbraw/zinc/21/52/37/496215237.db2.gz QVKDYFVKNUULMP-UHFFFAOYSA-N 1 3 365.477 3.486 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000152736309 496240313 /nfs/dbraw/zinc/24/03/13/496240313.db2.gz LOWSJTKWIQZCQX-QGZVFWFLSA-N 1 3 356.514 3.053 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187016900 496253236 /nfs/dbraw/zinc/25/32/36/496253236.db2.gz NDMYTCSKEMDINM-SFHVURJKSA-N 1 3 361.599 3.445 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181068159 496258544 /nfs/dbraw/zinc/25/85/44/496258544.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000181068159 496258547 /nfs/dbraw/zinc/25/85/47/496258547.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000181093009 496267757 /nfs/dbraw/zinc/26/77/57/496267757.db2.gz HJUBYRLHBXQXTD-UGKGYDQZSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000181093009 496267766 /nfs/dbraw/zinc/26/77/66/496267766.db2.gz HJUBYRLHBXQXTD-UGKGYDQZSA-N 1 3 359.558 3.200 20 0 FGADHO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000172501504 496318729 /nfs/dbraw/zinc/31/87/29/496318729.db2.gz SHWBSCYKOBFGLQ-SFHVURJKSA-N 1 3 374.529 3.028 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000172568874 496343702 /nfs/dbraw/zinc/34/37/02/496343702.db2.gz CZHRTGHEINWTDS-NRFANRHFSA-N 1 3 372.557 3.258 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000172568874 496343706 /nfs/dbraw/zinc/34/37/06/496343706.db2.gz CZHRTGHEINWTDS-NRFANRHFSA-N 1 3 372.557 3.258 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901190 496359586 /nfs/dbraw/zinc/35/95/86/496359586.db2.gz JCYNVROJVUMJKU-YJBOKZPZSA-N 1 3 357.523 3.296 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901190 496359592 /nfs/dbraw/zinc/35/95/92/496359592.db2.gz JCYNVROJVUMJKU-YJBOKZPZSA-N 1 3 357.523 3.296 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4ccccc43)c2)C1 ZINC000156902788 496360931 /nfs/dbraw/zinc/36/09/31/496360931.db2.gz QWMXMSIPZKUMOS-RBBKRZOGSA-N 1 3 363.505 3.161 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4ccccc43)c2)C1 ZINC000156902788 496360937 /nfs/dbraw/zinc/36/09/37/496360937.db2.gz QWMXMSIPZKUMOS-RBBKRZOGSA-N 1 3 363.505 3.161 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000162572507 496375619 /nfs/dbraw/zinc/37/56/19/496375619.db2.gz LDMGCMJSWIKJCN-IVCQMTBJSA-N 1 3 360.523 3.215 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571893794 505840348 /nfs/dbraw/zinc/84/03/48/505840348.db2.gz BQHMOCGAESKOMG-LJQANCHMSA-N 1 3 367.493 3.088 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571893794 505840352 /nfs/dbraw/zinc/84/03/52/505840352.db2.gz BQHMOCGAESKOMG-LJQANCHMSA-N 1 3 367.493 3.088 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000162796383 496414534 /nfs/dbraw/zinc/41/45/34/496414534.db2.gz YPRYNVNMXNNEMF-UHFFFAOYSA-N 1 3 363.864 3.060 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)c2ccc(F)cc2C1 ZINC000184516656 496419791 /nfs/dbraw/zinc/41/97/91/496419791.db2.gz IFTPBMZVXLOVNQ-HXUWFJFHSA-N 1 3 361.505 3.472 20 0 FGADHO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000162875240 496427390 /nfs/dbraw/zinc/42/73/90/496427390.db2.gz KAZLIBACXNTVAT-KRBQOJCGSA-N 1 3 366.571 3.357 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000175574360 496449006 /nfs/dbraw/zinc/44/90/06/496449006.db2.gz KNQGLJBNYJDWHI-ZACQAIPSSA-N 1 3 364.559 3.057 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)N(C)C)cc1 ZINC000571913301 505845319 /nfs/dbraw/zinc/84/53/19/505845319.db2.gz KDJVYAQHMZSLOR-APWZRJJASA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)N(C)C)cc1 ZINC000571913305 505845335 /nfs/dbraw/zinc/84/53/35/505845335.db2.gz KDJVYAQHMZSLOR-VQIMIIECSA-N 1 3 363.571 3.392 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000175687461 496500933 /nfs/dbraw/zinc/50/09/33/496500933.db2.gz LQYNUEKEAWQUFP-NRFANRHFSA-N 1 3 372.557 3.304 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646006 496542082 /nfs/dbraw/zinc/54/20/82/496542082.db2.gz KVHCTTJCJCDNRZ-IBGZPJMESA-N 1 3 364.530 3.079 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)cc1 ZINC000153732065 496561855 /nfs/dbraw/zinc/56/18/55/496561855.db2.gz YSJBQEGRCYMFHR-OAQYLSRUSA-N 1 3 359.533 3.439 20 0 FGADHO CC(C)OCCN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000157984128 496601591 /nfs/dbraw/zinc/60/15/91/496601591.db2.gz AGXBTIWEICFXTN-UHFFFAOYSA-N 1 3 373.585 3.173 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1OC(F)F ZINC000571959906 505855319 /nfs/dbraw/zinc/85/53/19/505855319.db2.gz HUPWSZMXRNRGDW-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1OC(F)F ZINC000571959906 505855321 /nfs/dbraw/zinc/85/53/21/505855321.db2.gz HUPWSZMXRNRGDW-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](N)c1ccccc1 ZINC000164729075 496629955 /nfs/dbraw/zinc/62/99/55/496629955.db2.gz OBTPWHPNACEQCL-LAUBAEHRSA-N 1 3 351.494 3.235 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000158129543 496634378 /nfs/dbraw/zinc/63/43/78/496634378.db2.gz XFCPVFULOQRNRO-KRWDZBQOSA-N 1 3 371.447 3.171 20 0 FGADHO C[C@@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000187973856 496636860 /nfs/dbraw/zinc/63/68/60/496636860.db2.gz QEUCSQNGCMDMTA-KRWDZBQOSA-N 1 3 366.594 3.307 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182273660 496724836 /nfs/dbraw/zinc/72/48/36/496724836.db2.gz OWLNFDXVJPWQED-KSSFIOAISA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182273660 496724838 /nfs/dbraw/zinc/72/48/38/496724838.db2.gz OWLNFDXVJPWQED-KSSFIOAISA-N 1 3 359.539 3.431 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000246964931 496737189 /nfs/dbraw/zinc/73/71/89/496737189.db2.gz JBDDSZQYCCAKJH-BRWVUGGUSA-N 1 3 351.510 3.432 20 0 FGADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000246966605 496738750 /nfs/dbraw/zinc/73/87/50/496738750.db2.gz IDSAZKOSYNCCJJ-HOCLYGCPSA-N 1 3 367.921 3.306 20 0 FGADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000246966605 496738755 /nfs/dbraw/zinc/73/87/55/496738755.db2.gz IDSAZKOSYNCCJJ-HOCLYGCPSA-N 1 3 367.921 3.306 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000247032808 496757971 /nfs/dbraw/zinc/75/79/71/496757971.db2.gz MHGOGSVOZBZZGM-PGRDOPGGSA-N 1 3 352.526 3.143 20 0 FGADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864219 /nfs/dbraw/zinc/86/42/19/505864219.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 1 3 364.530 3.151 20 0 FGADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864223 /nfs/dbraw/zinc/86/42/23/505864223.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 1 3 364.530 3.151 20 0 FGADHO CC(C)N(C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000268768803 496780357 /nfs/dbraw/zinc/78/03/57/496780357.db2.gz OVSFRNWKZGHNDF-UHFFFAOYSA-N 1 3 351.922 3.265 20 0 FGADHO Cc1nc(C)c([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)s1 ZINC000268799050 496790077 /nfs/dbraw/zinc/79/00/77/496790077.db2.gz IUMVNHQJYHNOEA-OAHLLOKOSA-N 1 3 359.543 3.018 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268933231 496827463 /nfs/dbraw/zinc/82/74/63/496827463.db2.gz RDBNNUFLIJGTLU-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134390 496830927 /nfs/dbraw/zinc/83/09/27/496830927.db2.gz PEICGTNEGZFYNA-HKUYNNGSSA-N 1 3 372.534 3.263 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000269051224 496858899 /nfs/dbraw/zinc/85/88/99/496858899.db2.gz RCEUALUUCIHFEZ-INIZCTEOSA-N 1 3 357.523 3.234 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247486042 496869893 /nfs/dbraw/zinc/86/98/93/496869893.db2.gz VFCGRGHEOCGAOW-LZLYRXPVSA-N 1 3 366.575 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247486042 496869895 /nfs/dbraw/zinc/86/98/95/496869895.db2.gz VFCGRGHEOCGAOW-LZLYRXPVSA-N 1 3 366.575 3.161 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000195476010 496933574 /nfs/dbraw/zinc/93/35/74/496933574.db2.gz IUQKSRNQZVFHOS-UHFFFAOYSA-N 1 3 365.521 3.185 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000248462199 497020123 /nfs/dbraw/zinc/02/01/23/497020123.db2.gz YCYINRHXEIOXJY-KNQAVFIVSA-N 1 3 352.478 3.039 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248462199 497020125 /nfs/dbraw/zinc/02/01/25/497020125.db2.gz YCYINRHXEIOXJY-KNQAVFIVSA-N 1 3 352.478 3.039 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248589105 497049228 /nfs/dbraw/zinc/04/92/28/497049228.db2.gz QSQBPAJJLIGCDS-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248589105 497049233 /nfs/dbraw/zinc/04/92/33/497049233.db2.gz QSQBPAJJLIGCDS-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248589105 497049239 /nfs/dbraw/zinc/04/92/39/497049239.db2.gz QSQBPAJJLIGCDS-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270066679 497051411 /nfs/dbraw/zinc/05/14/11/497051411.db2.gz GHLKIRPRSABILR-QGZVFWFLSA-N 1 3 369.509 3.298 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000236595559 497119479 /nfs/dbraw/zinc/11/94/79/497119479.db2.gz NNRVRSZFKWLEAF-BWQRXAFVSA-N 1 3 361.574 3.266 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000274647495 497137802 /nfs/dbraw/zinc/13/78/02/497137802.db2.gz CFJIBCYWAREWIX-FUHWJXTLSA-N 1 3 373.541 3.258 20 0 FGADHO CCCN1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000236778298 497145468 /nfs/dbraw/zinc/14/54/68/497145468.db2.gz XBYDLUFEXCQNSJ-UHFFFAOYSA-N 1 3 371.319 3.430 20 0 FGADHO CC[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236958874 497172870 /nfs/dbraw/zinc/17/28/70/497172870.db2.gz DASZNZAOKZFXOC-LEWJYISDSA-N 1 3 351.494 3.030 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc21 ZINC000237000139 497178579 /nfs/dbraw/zinc/17/85/79/497178579.db2.gz VXLAGDMHSVJIGD-IBGZPJMESA-N 1 3 350.466 3.232 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866806 497186510 /nfs/dbraw/zinc/18/65/10/497186510.db2.gz DZQRWJGZMZKCRB-TYPHKJRUSA-N 1 3 350.510 3.161 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866806 497186514 /nfs/dbraw/zinc/18/65/14/497186514.db2.gz DZQRWJGZMZKCRB-TYPHKJRUSA-N 1 3 350.510 3.161 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779242 497211933 /nfs/dbraw/zinc/21/19/33/497211933.db2.gz BFUCTRHHNCGDSO-FQEVSTJZSA-N 1 3 365.949 3.209 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779242 497211936 /nfs/dbraw/zinc/21/19/36/497211936.db2.gz BFUCTRHHNCGDSO-FQEVSTJZSA-N 1 3 365.949 3.209 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946154 497214646 /nfs/dbraw/zinc/21/46/46/497214646.db2.gz JQMGSCIQJIHHTF-RXVVDRJESA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946154 497214653 /nfs/dbraw/zinc/21/46/53/497214653.db2.gz JQMGSCIQJIHHTF-RXVVDRJESA-N 1 3 357.542 3.475 20 0 FGADHO Cc1cc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000237372438 497228030 /nfs/dbraw/zinc/22/80/30/497228030.db2.gz GUXYUWQMOLZVJT-KRWDZBQOSA-N 1 3 373.541 3.434 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237427131 497235382 /nfs/dbraw/zinc/23/53/82/497235382.db2.gz OEWYWIWWOOZMSH-PGRDOPGGSA-N 1 3 365.521 3.412 20 0 FGADHO CN(c1ccccc1CN1CCC(c2ncc[nH]2)CC1)C1CC[NH+](C)CC1 ZINC000271214763 497293307 /nfs/dbraw/zinc/29/33/07/497293307.db2.gz WVGTUNJNWKRKGG-UHFFFAOYSA-N 1 3 367.541 3.320 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000271217917 497294086 /nfs/dbraw/zinc/29/40/86/497294086.db2.gz NUHRWJGMOWENCX-UHFFFAOYSA-N 1 3 352.526 3.225 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000572148872 505901086 /nfs/dbraw/zinc/90/10/86/505901086.db2.gz GLXCAZOKTFYCBC-QGZVFWFLSA-N 1 3 354.922 3.098 20 0 FGADHO CN1CCC(C[NH2+]CCCc2ccc3c(c2)CCO3)(N2CCCCC2)CC1 ZINC000193299698 497343648 /nfs/dbraw/zinc/34/36/48/497343648.db2.gz HQQPLHWSHOYZPZ-UHFFFAOYSA-N 1 3 371.569 3.094 20 0 FGADHO COCc1cc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000271430005 497347214 /nfs/dbraw/zinc/34/72/14/497347214.db2.gz DCMHXFCUWUQCJE-MRXNPFEDSA-N 1 3 373.497 3.028 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275693474 497405570 /nfs/dbraw/zinc/40/55/70/497405570.db2.gz ROLMTZXRCYZYRF-UHFFFAOYSA-N 1 3 360.546 3.424 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573059 497415771 /nfs/dbraw/zinc/41/57/71/497415771.db2.gz APSJUSOSTPLNCI-DZFGPLHGSA-N 1 3 351.494 3.055 20 0 FGADHO C[C@H](NC(=O)[C@H](N)CC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585063 497415970 /nfs/dbraw/zinc/41/59/70/497415970.db2.gz IFYJXGGEBCJGFN-IOMROCGXSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](NC(=O)[C@H](N)CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585063 497415973 /nfs/dbraw/zinc/41/59/73/497415973.db2.gz IFYJXGGEBCJGFN-IOMROCGXSA-N 1 3 357.542 3.311 20 0 FGADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000261678774 497432127 /nfs/dbraw/zinc/43/21/27/497432127.db2.gz IFSIWEALWLIZSG-YADHBBJMSA-N 1 3 363.505 3.097 20 0 FGADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702844 497436894 /nfs/dbraw/zinc/43/68/94/497436894.db2.gz LQUQOQBHQMJFBJ-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702844 497436898 /nfs/dbraw/zinc/43/68/98/497436898.db2.gz LQUQOQBHQMJFBJ-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702844 497436902 /nfs/dbraw/zinc/43/69/02/497436902.db2.gz LQUQOQBHQMJFBJ-OAQYLSRUSA-N 1 3 353.466 3.478 20 0 FGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000279472342 497448554 /nfs/dbraw/zinc/44/85/54/497448554.db2.gz KCMCMMDQSAECRX-HSQYWUDLSA-N 1 3 354.494 3.119 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CNCC3=CC[N@H+](C)CC3)c2)cc1 ZINC000271839342 497465977 /nfs/dbraw/zinc/46/59/77/497465977.db2.gz QJXRRBZAPXLUIT-UHFFFAOYSA-N 1 3 365.477 3.299 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CNCC3=CC[N@@H+](C)CC3)c2)cc1 ZINC000271839342 497465981 /nfs/dbraw/zinc/46/59/81/497465981.db2.gz QJXRRBZAPXLUIT-UHFFFAOYSA-N 1 3 365.477 3.299 20 0 FGADHO C[C@@]1(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884139 497467786 /nfs/dbraw/zinc/46/77/86/497467786.db2.gz ROIDENKPZPJJHF-GOSISDBHSA-N 1 3 355.448 3.213 20 0 FGADHO CC(C)(C)N1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000245681759 497499839 /nfs/dbraw/zinc/49/98/39/497499839.db2.gz JAPXEFKGTJDIBG-HAGHYFMRSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231817 497526964 /nfs/dbraw/zinc/52/69/64/497526964.db2.gz GXECRVLYAWGMDS-FXTMCPBRSA-N 1 3 369.553 3.167 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378325 497547091 /nfs/dbraw/zinc/54/70/91/497547091.db2.gz MRIOSSFNYYZOPT-CXAGYDPISA-N 1 3 371.447 3.060 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000194030165 497552777 /nfs/dbraw/zinc/55/27/77/497552777.db2.gz RLWMDTLXLGEELY-YPAWHYETSA-N 1 3 370.537 3.081 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194068681 497563110 /nfs/dbraw/zinc/56/31/10/497563110.db2.gz UIYSHVWQJRARJH-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000279860035 497566964 /nfs/dbraw/zinc/56/69/64/497566964.db2.gz SMWJTAVAQBOAOX-WZYRSQIMSA-N 1 3 369.553 3.135 20 0 FGADHO CC1CCN([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000194366919 497645019 /nfs/dbraw/zinc/64/50/19/497645019.db2.gz RNYCZJAVHVTJRM-JOCHJYFZSA-N 1 3 369.553 3.450 20 0 FGADHO N[C@@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966937 497668317 /nfs/dbraw/zinc/66/83/17/497668317.db2.gz REBSSZFJPNTBRJ-RBUKOAKNSA-N 1 3 369.534 3.309 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000246246655 497673006 /nfs/dbraw/zinc/67/30/06/497673006.db2.gz DUXKXKSJFFIKIG-NJAFHUGGSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000246246655 497673014 /nfs/dbraw/zinc/67/30/14/497673014.db2.gz DUXKXKSJFFIKIG-NJAFHUGGSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000246246655 497673019 /nfs/dbraw/zinc/67/30/19/497673019.db2.gz DUXKXKSJFFIKIG-NJAFHUGGSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000246246655 497673023 /nfs/dbraw/zinc/67/30/23/497673023.db2.gz DUXKXKSJFFIKIG-NJAFHUGGSA-N 1 3 356.432 3.025 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C)C1 ZINC000246332489 497698513 /nfs/dbraw/zinc/69/85/13/497698513.db2.gz DAIZZPHYCUPGDH-HLAWJBBLSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C)C1 ZINC000246332489 497698519 /nfs/dbraw/zinc/69/85/19/497698519.db2.gz DAIZZPHYCUPGDH-HLAWJBBLSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)COC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000575117027 505924358 /nfs/dbraw/zinc/92/43/58/505924358.db2.gz WYVABKJZTXFHEL-LJQANCHMSA-N 1 3 368.949 3.175 20 0 FGADHO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272704254 497707921 /nfs/dbraw/zinc/70/79/21/497707921.db2.gz ZVHVAFRUBWKGRW-PGRDOPGGSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](N)c1ccccc1 ZINC000263286079 497750336 /nfs/dbraw/zinc/75/03/36/497750336.db2.gz UOYRAHYRBUROBF-ZJOUEHCJSA-N 1 3 357.542 3.293 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000246542549 497769656 /nfs/dbraw/zinc/76/96/56/497769656.db2.gz WPGDUCOQZKDVNZ-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000246542549 497769660 /nfs/dbraw/zinc/76/96/60/497769660.db2.gz WPGDUCOQZKDVNZ-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000246575069 497779275 /nfs/dbraw/zinc/77/92/75/497779275.db2.gz VIQOEPZTUYJIFZ-PGRDOPGGSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000246575069 497779281 /nfs/dbraw/zinc/77/92/81/497779281.db2.gz VIQOEPZTUYJIFZ-PGRDOPGGSA-N 1 3 365.521 3.420 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581250 497781572 /nfs/dbraw/zinc/78/15/72/497781572.db2.gz UCMAJBYDBPSIPQ-CEWLAPEOSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246583954 497782418 /nfs/dbraw/zinc/78/24/18/497782418.db2.gz UKGPJZURCCXTCV-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246583954 497782421 /nfs/dbraw/zinc/78/24/21/497782421.db2.gz UKGPJZURCCXTCV-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263221 505928613 /nfs/dbraw/zinc/92/86/13/505928613.db2.gz PRNLOMNKEAJFRX-PMACEKPBSA-N 1 3 358.530 3.080 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000296355474 498009787 /nfs/dbraw/zinc/00/97/87/498009787.db2.gz JFPWPXUNRIQKGH-OAQYLSRUSA-N 1 3 357.542 3.015 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218664 498025764 /nfs/dbraw/zinc/02/57/64/498025764.db2.gz XKUQPDYAFXFGMU-IEBWSBKVSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218664 498025773 /nfs/dbraw/zinc/02/57/73/498025773.db2.gz XKUQPDYAFXFGMU-IEBWSBKVSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000285218664 498025780 /nfs/dbraw/zinc/02/57/80/498025780.db2.gz XKUQPDYAFXFGMU-IEBWSBKVSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2F)CC1 ZINC000569596216 505972849 /nfs/dbraw/zinc/97/28/49/505972849.db2.gz ZVCMODVMNWWHHU-XLIONFOSSA-N 1 3 372.484 3.381 20 0 FGADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242797 498075072 /nfs/dbraw/zinc/07/50/72/498075072.db2.gz AASMCPZXDMPLLM-IBGZPJMESA-N 1 3 372.509 3.174 20 0 FGADHO CN1CCN(CC2CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000289397925 498132213 /nfs/dbraw/zinc/13/22/13/498132213.db2.gz GAPCYPCLKPAVHW-UHFFFAOYSA-N 1 3 359.558 3.195 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cc(C)c(O)c(C)c3)cc2)CC1 ZINC000578631708 505985288 /nfs/dbraw/zinc/98/52/88/505985288.db2.gz ZNYBNBWUZNXQBD-UHFFFAOYSA-N 1 3 367.537 3.436 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486898 505999331 /nfs/dbraw/zinc/99/93/31/505999331.db2.gz INBXPRHVAXFWSU-MAUKXSAKSA-N 1 3 371.447 3.334 20 0 FGADHO O=C(CC1CC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000572603602 506009170 /nfs/dbraw/zinc/00/91/70/506009170.db2.gz OXBWTCXIBKLMDI-UHFFFAOYSA-N 1 3 363.933 3.154 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000281867243 498296888 /nfs/dbraw/zinc/29/68/88/498296888.db2.gz MDAKJIORWVIRGM-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO COc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000286147576 498306289 /nfs/dbraw/zinc/30/62/89/498306289.db2.gz ORLXAZQAWWLVJA-INIZCTEOSA-N 1 3 373.497 3.198 20 0 FGADHO O[C@@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349353 498354991 /nfs/dbraw/zinc/35/49/91/498354991.db2.gz NQRQHGRPKSDXJU-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000365252850 498374544 /nfs/dbraw/zinc/37/45/44/498374544.db2.gz CHUSEGCNFPMAAG-UHFFFAOYSA-N 1 3 368.525 3.256 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000365252850 498374550 /nfs/dbraw/zinc/37/45/50/498374550.db2.gz CHUSEGCNFPMAAG-UHFFFAOYSA-N 1 3 368.525 3.256 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)nc1 ZINC000289969644 498375440 /nfs/dbraw/zinc/37/54/40/498375440.db2.gz XJFKWRVNLWFSNH-RBSFLKMASA-N 1 3 370.335 3.384 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720314 498423705 /nfs/dbraw/zinc/42/37/05/498423705.db2.gz XWDBPLWJUKMTAD-LZYRVKDDSA-N 1 3 361.555 3.168 20 0 FGADHO CCc1noc(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000361757928 498426762 /nfs/dbraw/zinc/42/67/62/498426762.db2.gz YEDQQTKLRFMWNX-UHFFFAOYSA-N 1 3 362.562 3.174 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H](C)c3ccccc3)CC2)CC1 ZINC000569863271 506033870 /nfs/dbraw/zinc/03/38/70/506033870.db2.gz FDQLHECBCJXLKR-IBGZPJMESA-N 1 3 371.569 3.445 20 0 FGADHO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(C2CCC2)C1 ZINC000293663153 498445933 /nfs/dbraw/zinc/44/59/33/498445933.db2.gz JMVNPQDBCCQRHB-LJQANCHMSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000293663153 498445938 /nfs/dbraw/zinc/44/59/38/498445938.db2.gz JMVNPQDBCCQRHB-LJQANCHMSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000293663153 498445945 /nfs/dbraw/zinc/44/59/45/498445945.db2.gz JMVNPQDBCCQRHB-LJQANCHMSA-N 1 3 369.553 3.231 20 0 FGADHO Fc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297472975 498462215 /nfs/dbraw/zinc/46/22/15/498462215.db2.gz RKCLNZDMXGLXCC-QGZVFWFLSA-N 1 3 354.473 3.306 20 0 FGADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc2n1 ZINC000362252787 498482376 /nfs/dbraw/zinc/48/23/76/498482376.db2.gz BKRXTOGCGLBJQN-HXUWFJFHSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc2n1 ZINC000362252787 498482380 /nfs/dbraw/zinc/48/23/80/498482380.db2.gz BKRXTOGCGLBJQN-HXUWFJFHSA-N 1 3 352.526 3.144 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981221 506048436 /nfs/dbraw/zinc/04/84/36/506048436.db2.gz BVKYCKIFHGYPNQ-JKSUJKDBSA-N 1 3 374.447 3.155 20 0 FGADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282540171 498550285 /nfs/dbraw/zinc/55/02/85/498550285.db2.gz RJNGQNKCUYNXQP-GOSISDBHSA-N 1 3 359.539 3.109 20 0 FGADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282540171 498550293 /nfs/dbraw/zinc/55/02/93/498550293.db2.gz RJNGQNKCUYNXQP-GOSISDBHSA-N 1 3 359.539 3.109 20 0 FGADHO O=C(NCCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949691 498564742 /nfs/dbraw/zinc/56/47/42/498564742.db2.gz BNFKVYYSOIUFIW-WOJBJXKFSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949691 498564734 /nfs/dbraw/zinc/56/47/34/498564734.db2.gz BNFKVYYSOIUFIW-WOJBJXKFSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949691 498564749 /nfs/dbraw/zinc/56/47/49/498564749.db2.gz BNFKVYYSOIUFIW-WOJBJXKFSA-N 1 3 359.514 3.300 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120428 498595253 /nfs/dbraw/zinc/59/52/53/498595253.db2.gz KRKOZNDTYHUMTD-CYBMUJFWSA-N 1 3 372.376 3.114 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000287042847 498604022 /nfs/dbraw/zinc/60/40/22/498604022.db2.gz IXLYJIDQOMXKBT-WIYYLYMNSA-N 1 3 355.526 3.371 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569986330 506062375 /nfs/dbraw/zinc/06/23/75/506062375.db2.gz SZIFAMNFZNAWJS-LJQANCHMSA-N 1 3 367.493 3.217 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569986330 506062377 /nfs/dbraw/zinc/06/23/77/506062377.db2.gz SZIFAMNFZNAWJS-LJQANCHMSA-N 1 3 367.493 3.217 20 0 FGADHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294342572 498663555 /nfs/dbraw/zinc/66/35/55/498663555.db2.gz YQPQGGAJWCYJQL-QGZVFWFLSA-N 1 3 366.509 3.369 20 0 FGADHO COc1ccc([C@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCCN2C)cc1 ZINC000363136488 498669280 /nfs/dbraw/zinc/66/92/80/498669280.db2.gz JDNDAWOBSLEOJH-LPHOPBHVSA-N 1 3 353.470 3.110 20 0 FGADHO CN1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967030 498716035 /nfs/dbraw/zinc/71/60/35/498716035.db2.gz GASHZTWOVBCMDM-FXAWDEMLSA-N 1 3 363.933 3.181 20 0 FGADHO c1ccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCC2)cc1 ZINC000298392328 498756137 /nfs/dbraw/zinc/75/61/37/498756137.db2.gz GXZKLKUJTLERBY-QFIPXVFZSA-N 1 3 350.510 3.477 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366088529 498769520 /nfs/dbraw/zinc/76/95/20/498769520.db2.gz JJUWAWXORPHFQK-IEBWSBKVSA-N 1 3 356.514 3.177 20 0 FGADHO c1cc(N2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)ccn1 ZINC000298606803 498826858 /nfs/dbraw/zinc/82/68/58/498826858.db2.gz ZQUOXHZDDWFCQP-UHFFFAOYSA-N 1 3 360.571 3.002 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000298611492 498828474 /nfs/dbraw/zinc/82/84/74/498828474.db2.gz ZZVUOHIZDLZZIP-MRXNPFEDSA-N 1 3 366.465 3.358 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3sc(Br)cc32)CC1 ZINC000294869878 498832441 /nfs/dbraw/zinc/83/24/41/498832441.db2.gz UEXHYUHUHOYYBP-AWEZNQCLSA-N 1 3 372.376 3.114 20 0 FGADHO Cn1c2ccc(CNC[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275129 498853166 /nfs/dbraw/zinc/85/31/66/498853166.db2.gz ARPZSJMBIVNUHC-KBXCAEBGSA-N 1 3 373.547 3.444 20 0 FGADHO Cn1c2ccc(CNC[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275129 498853170 /nfs/dbraw/zinc/85/31/70/498853170.db2.gz ARPZSJMBIVNUHC-KBXCAEBGSA-N 1 3 373.547 3.444 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3cc(F)ccc3F)CC2)CC1 ZINC000363661749 498930404 /nfs/dbraw/zinc/93/04/04/498930404.db2.gz LAQSATFHKYCYIJ-UHFFFAOYSA-N 1 3 351.485 3.251 20 0 FGADHO COc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1OC ZINC000576279749 506119924 /nfs/dbraw/zinc/11/99/24/506119924.db2.gz HEEYWWHJSDHNCG-IYBDPMFKSA-N 1 3 373.522 3.259 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000582056893 506123492 /nfs/dbraw/zinc/12/34/92/506123492.db2.gz ZITKQWLEGHGXMM-UKRRQHHQSA-N 1 3 368.319 3.064 20 0 FGADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199371 499160541 /nfs/dbraw/zinc/16/05/41/499160541.db2.gz JJSBDNGCNVMEGZ-ROUUACIJSA-N 1 3 373.541 3.069 20 0 FGADHO Cc1ncc([C@@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000372836021 499182122 /nfs/dbraw/zinc/18/21/22/499182122.db2.gz DYFSUQGMTTUPAD-OAHLLOKOSA-N 1 3 350.576 3.298 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CCN(C)CC1 ZINC000367423801 499197422 /nfs/dbraw/zinc/19/74/22/499197422.db2.gz WXSCAANZIKZOPN-LJQANCHMSA-N 1 3 367.541 3.320 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CCN(C)CC1 ZINC000367423801 499197423 /nfs/dbraw/zinc/19/74/23/499197423.db2.gz WXSCAANZIKZOPN-LJQANCHMSA-N 1 3 367.541 3.320 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482840 499204506 /nfs/dbraw/zinc/20/45/06/499204506.db2.gz IKUSIGFWGDJQEA-SVFBPWRDSA-N 1 3 374.550 3.298 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482840 499204508 /nfs/dbraw/zinc/20/45/08/499204508.db2.gz IKUSIGFWGDJQEA-SVFBPWRDSA-N 1 3 374.550 3.298 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000370386400 499215368 /nfs/dbraw/zinc/21/53/68/499215368.db2.gz LPUADQVYJYKTDY-NRFANRHFSA-N 1 3 351.494 3.143 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367611328 499217503 /nfs/dbraw/zinc/21/75/03/499217503.db2.gz BQMSNTYGXAQPPV-GBESFXJTSA-N 1 3 353.466 3.494 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247493 499278087 /nfs/dbraw/zinc/27/80/87/499278087.db2.gz ZXYQSBKGIRVFAE-MLNNCEHLSA-N 1 3 365.606 3.054 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247493 499278089 /nfs/dbraw/zinc/27/80/89/499278089.db2.gz ZXYQSBKGIRVFAE-MLNNCEHLSA-N 1 3 365.606 3.054 20 0 FGADHO C[C@@H]1CN(CCOc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301593 499307356 /nfs/dbraw/zinc/30/73/56/499307356.db2.gz GIUNLJFRXJMONS-KNQAVFIVSA-N 1 3 367.537 3.176 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316554 499309483 /nfs/dbraw/zinc/30/94/83/499309483.db2.gz GMJXQVUDOOEPIT-WXSAJPJJSA-N 1 3 350.478 3.374 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316554 499309485 /nfs/dbraw/zinc/30/94/85/499309485.db2.gz GMJXQVUDOOEPIT-WXSAJPJJSA-N 1 3 350.478 3.374 20 0 FGADHO Fc1cc(F)cc(C2CC(NC3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000368586735 499310631 /nfs/dbraw/zinc/31/06/31/499310631.db2.gz YYIUXSPNYBBKCC-PCVOSPCESA-N 1 3 350.453 3.301 20 0 FGADHO CCc1nn(C)c(CC)c1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000371900518 499376554 /nfs/dbraw/zinc/37/65/54/499376554.db2.gz ZHQIIXFRGCQGKO-UHFFFAOYSA-N 1 3 355.530 3.288 20 0 FGADHO CCc1nn(C)c(CC)c1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000371900518 499376556 /nfs/dbraw/zinc/37/65/56/499376556.db2.gz ZHQIIXFRGCQGKO-UHFFFAOYSA-N 1 3 355.530 3.288 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@@H](N)c1ccccc1 ZINC000372099331 499399030 /nfs/dbraw/zinc/39/90/30/499399030.db2.gz SZMMAGWYXRNEDC-WQCNXYOZSA-N 1 3 357.523 3.193 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[C@@H](N)c1ccccc1 ZINC000372099331 499399032 /nfs/dbraw/zinc/39/90/32/499399032.db2.gz SZMMAGWYXRNEDC-WQCNXYOZSA-N 1 3 357.523 3.193 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385706 506145446 /nfs/dbraw/zinc/14/54/46/506145446.db2.gz DLOLNLHFJIOKKH-QZTJIDSGSA-N 1 3 371.525 3.161 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385707 506145458 /nfs/dbraw/zinc/14/54/58/506145458.db2.gz DLOLNLHFJIOKKH-ROUUACIJSA-N 1 3 371.525 3.161 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000372436583 499434703 /nfs/dbraw/zinc/43/47/03/499434703.db2.gz UIXSZKNVXBKOAS-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378220186 499491382 /nfs/dbraw/zinc/49/13/82/499491382.db2.gz BPEQZJAKRLROTA-SFHVURJKSA-N 1 3 355.482 3.099 20 0 FGADHO C[C@@H]1CN(CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369462 499508209 /nfs/dbraw/zinc/50/82/09/499508209.db2.gz KVZZSQLIYQPNHV-QGZVFWFLSA-N 1 3 365.949 3.209 20 0 FGADHO C[N@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2ccncc2)CC1 ZINC000378540076 499529715 /nfs/dbraw/zinc/52/97/15/499529715.db2.gz PAQULLWJFFRRFT-FQEVSTJZSA-N 1 3 361.436 3.242 20 0 FGADHO C[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2ccncc2)CC1 ZINC000378540076 499529717 /nfs/dbraw/zinc/52/97/17/499529717.db2.gz PAQULLWJFFRRFT-FQEVSTJZSA-N 1 3 361.436 3.242 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622936 499542335 /nfs/dbraw/zinc/54/23/35/499542335.db2.gz HOUMROKIOJSUNH-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622936 499542337 /nfs/dbraw/zinc/54/23/37/499542337.db2.gz HOUMROKIOJSUNH-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccnc([C@@H](C)[NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781894 499555220 /nfs/dbraw/zinc/55/52/20/499555220.db2.gz BZPJJCXVVUXXRT-GCJKJVERSA-N 1 3 353.510 3.486 20 0 FGADHO Cc1ccnc([C@@H](C)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781894 499555222 /nfs/dbraw/zinc/55/52/22/499555222.db2.gz BZPJJCXVVUXXRT-GCJKJVERSA-N 1 3 353.510 3.486 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375814147 499558366 /nfs/dbraw/zinc/55/83/66/499558366.db2.gz KUOXUVPYUQDBLO-YJBOKZPZSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375814147 499558367 /nfs/dbraw/zinc/55/83/67/499558367.db2.gz KUOXUVPYUQDBLO-YJBOKZPZSA-N 1 3 371.447 3.043 20 0 FGADHO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000582176797 506152153 /nfs/dbraw/zinc/15/21/53/506152153.db2.gz MGERQUJNZQEZFB-HNNXBMFYSA-N 1 3 374.447 3.157 20 0 FGADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000376562267 499618978 /nfs/dbraw/zinc/61/89/78/499618978.db2.gz QSLICGBXXVWXKP-LJQANCHMSA-N 1 3 373.516 3.028 20 0 FGADHO CCN(CC)CCN(CCC(F)(F)F)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377057543 499657632 /nfs/dbraw/zinc/65/76/32/499657632.db2.gz QYTWEFDTWKUIEG-DLBZAZTESA-N 1 3 364.500 3.056 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000570382811 506155432 /nfs/dbraw/zinc/15/54/32/506155432.db2.gz JUCHVRBTRXEZKE-KRWDZBQOSA-N 1 3 366.575 3.208 20 0 FGADHO c1cc(CN2CCC[C@H](CN3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411261259 499718500 /nfs/dbraw/zinc/71/85/00/499718500.db2.gz POAJNKWJMGSQHP-HSZRJFAPSA-N 1 3 371.569 3.217 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc4cc[nH]c4c3)CC2)CC1 ZINC000573266165 506158058 /nfs/dbraw/zinc/15/80/58/506158058.db2.gz VFSBWMDGYJAGEJ-UHFFFAOYSA-N 1 3 368.525 3.327 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)cn1 ZINC000414126772 499762770 /nfs/dbraw/zinc/76/27/70/499762770.db2.gz FJKCENONPSLRBH-KRWDZBQOSA-N 1 3 369.509 3.284 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000411566250 499763906 /nfs/dbraw/zinc/76/39/06/499763906.db2.gz ZEKVUTOWETYGEQ-LJQANCHMSA-N 1 3 371.569 3.466 20 0 FGADHO CCc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)cc1 ZINC000414182241 499766697 /nfs/dbraw/zinc/76/66/97/499766697.db2.gz CXVOERSKOOSCTB-QFIPXVFZSA-N 1 3 373.585 3.332 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000414191207 499767490 /nfs/dbraw/zinc/76/74/90/499767490.db2.gz LETOUYXTDGBJPJ-LJQANCHMSA-N 1 3 373.585 3.431 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199808 499768219 /nfs/dbraw/zinc/76/82/19/499768219.db2.gz RLEQLFSENOIBMS-FGZHOGPDSA-N 1 3 371.569 3.099 20 0 FGADHO Cc1ccc2cc([C@H](C)[NH2+]CC3(N4CCOCC4)CCN(C)CC3)oc2c1 ZINC000414204288 499768387 /nfs/dbraw/zinc/76/83/87/499768387.db2.gz WCUVZGGCXGFVBE-SFHVURJKSA-N 1 3 371.525 3.188 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000414346423 499779651 /nfs/dbraw/zinc/77/96/51/499779651.db2.gz VEAQLILYAUOFAT-FCHUYYIVSA-N 1 3 369.553 3.442 20 0 FGADHO Cc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000414777635 499829926 /nfs/dbraw/zinc/82/99/26/499829926.db2.gz GAWZXSBDDGPJNB-AEFFLSMTSA-N 1 3 354.441 3.233 20 0 FGADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813844 499833733 /nfs/dbraw/zinc/83/37/33/499833733.db2.gz MZSIJLZCSXZPPD-IUODEOHRSA-N 1 3 356.308 3.273 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838327 499836277 /nfs/dbraw/zinc/83/62/77/499836277.db2.gz KHWJWGPMPWGFBG-WFASDCNBSA-N 1 3 356.308 3.129 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCCNC1 ZINC000414853531 499838282 /nfs/dbraw/zinc/83/82/82/499838282.db2.gz KXJXGLVECOPKPH-CABCVRRESA-N 1 3 353.913 3.421 20 0 FGADHO C[C@@H](CNC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000573287990 506161334 /nfs/dbraw/zinc/16/13/34/506161334.db2.gz GGMJOECHFFPCNP-YJBOKZPZSA-N 1 3 358.448 3.491 20 0 FGADHO C[C@@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCNC1 ZINC000414904396 499843328 /nfs/dbraw/zinc/84/33/28/499843328.db2.gz JXXGZSOGABEOLE-LJQANCHMSA-N 1 3 353.913 3.423 20 0 FGADHO Brc1cccc(-c2c[nH]c(CNCCC[C@@H]3CCC[NH2+]3)n2)c1 ZINC000414967102 499849975 /nfs/dbraw/zinc/84/99/75/499849975.db2.gz GVPDIHBMMHSDRZ-OAHLLOKOSA-N 1 3 363.303 3.461 20 0 FGADHO C[C@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000573287987 506161965 /nfs/dbraw/zinc/16/19/65/506161965.db2.gz GGMJOECHFFPCNP-CRAIPNDOSA-N 1 3 358.448 3.491 20 0 FGADHO FC(F)(F)[C@@H](CNCc1cc(-c2ccccc2)cs1)N1CC[NH2+]CC1 ZINC000414997720 499853195 /nfs/dbraw/zinc/85/31/95/499853195.db2.gz YXXBCWYTTOCBML-QGZVFWFLSA-N 1 3 369.456 3.341 20 0 FGADHO C[C@H](CCC[NH3+])NCc1ccc(I)cc1Cl ZINC000415027697 499856211 /nfs/dbraw/zinc/85/62/11/499856211.db2.gz XEQAKJGVMZYRSX-SECBINFHSA-N 1 3 352.647 3.162 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122369 499866636 /nfs/dbraw/zinc/86/66/36/499866636.db2.gz JXLDVZAAJZVZHG-NVXWUHKLSA-N 1 3 358.404 3.304 20 0 FGADHO CCc1cc(OC)ccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126879 499867221 /nfs/dbraw/zinc/86/72/21/499867221.db2.gz HEWPYASZMPNYDO-UHFFFAOYSA-N 1 3 367.537 3.341 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129596 499867781 /nfs/dbraw/zinc/86/77/81/499867781.db2.gz VGLRFTMPMUKUPZ-WMZOPIPTSA-N 1 3 372.431 3.346 20 0 FGADHO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415309816 499885453 /nfs/dbraw/zinc/88/54/53/499885453.db2.gz NLZAYXWIRLOTDB-HXUWFJFHSA-N 1 3 362.518 3.046 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415309801 499885488 /nfs/dbraw/zinc/88/54/88/499885488.db2.gz NJAWUGDAFUYIQS-ZWKOTPCHSA-N 1 3 374.529 3.190 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415561117 499902397 /nfs/dbraw/zinc/90/23/97/499902397.db2.gz GHGHVLWURRXYMN-QUCCMNQESA-N 1 3 358.530 3.177 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1F)CCNC2 ZINC000415949137 499932365 /nfs/dbraw/zinc/93/23/65/499932365.db2.gz BEPIKVHSSBLHCK-UHFFFAOYSA-N 1 3 362.493 3.249 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1OCCN(C)C ZINC000415962171 499933944 /nfs/dbraw/zinc/93/39/44/499933944.db2.gz WNWAVUKMEKFCLA-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO [NH3+]Cc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000415960967 499934002 /nfs/dbraw/zinc/93/40/02/499934002.db2.gz CQOGOAWZHPPBAM-INIZCTEOSA-N 1 3 370.419 3.256 20 0 FGADHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415973481 499935842 /nfs/dbraw/zinc/93/58/42/499935842.db2.gz QJGZUJVFVGOFFB-HNNXBMFYSA-N 1 3 358.408 3.112 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976869 499936128 /nfs/dbraw/zinc/93/61/28/499936128.db2.gz VYDSXSHVZHDXKS-QWHCGFSZSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976869 499936129 /nfs/dbraw/zinc/93/61/29/499936129.db2.gz VYDSXSHVZHDXKS-QWHCGFSZSA-N 1 3 372.435 3.406 20 0 FGADHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415975245 499936274 /nfs/dbraw/zinc/93/62/74/499936274.db2.gz SJZUNTBRQHFRJO-GFCCVEGCSA-N 1 3 358.408 3.018 20 0 FGADHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415975245 499936276 /nfs/dbraw/zinc/93/62/76/499936276.db2.gz SJZUNTBRQHFRJO-GFCCVEGCSA-N 1 3 358.408 3.018 20 0 FGADHO C[C@@H](NC(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189165 499974067 /nfs/dbraw/zinc/97/40/67/499974067.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H](NC(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189165 499974072 /nfs/dbraw/zinc/97/40/72/499974072.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 1 3 369.553 3.204 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291948 500030258 /nfs/dbraw/zinc/03/02/58/500030258.db2.gz BONWQYSRKZTOMJ-XJKSGUPXSA-N 1 3 374.451 3.077 20 0 FGADHO CC[C@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000413858066 500078342 /nfs/dbraw/zinc/07/83/42/500078342.db2.gz LXWAECBHNBRJFZ-RTWAWAEBSA-N 1 3 371.569 3.476 20 0 FGADHO CS[C@H]1CC[C@H]1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350984 500082175 /nfs/dbraw/zinc/08/21/75/500082175.db2.gz LVFKMFRZKMZMIW-UXHICEINSA-N 1 3 364.555 3.160 20 0 FGADHO CS[C@H]1CC[C@H]1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350984 500082177 /nfs/dbraw/zinc/08/21/77/500082177.db2.gz LVFKMFRZKMZMIW-UXHICEINSA-N 1 3 364.555 3.160 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000417587091 500118728 /nfs/dbraw/zinc/11/87/28/500118728.db2.gz NMXBFGLSMTYBPZ-DLBZAZTESA-N 1 3 354.498 3.026 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000416844451 500135812 /nfs/dbraw/zinc/13/58/12/500135812.db2.gz PZMWCNFCEUFZMI-UXHICEINSA-N 1 3 354.498 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417677189 500146789 /nfs/dbraw/zinc/14/67/89/500146789.db2.gz FPDQPRSPUJBXMJ-ABSDTBQOSA-N 1 3 358.530 3.123 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818348 500158604 /nfs/dbraw/zinc/15/86/04/500158604.db2.gz AGJGMYOGHLZYCJ-MRXNPFEDSA-N 1 3 353.938 3.417 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000417796445 500174062 /nfs/dbraw/zinc/17/40/62/500174062.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000417796445 500174064 /nfs/dbraw/zinc/17/40/64/500174064.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 1 3 365.521 3.342 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000417011363 500183584 /nfs/dbraw/zinc/18/35/84/500183584.db2.gz RSKGZMVJPZDXQR-IBGZPJMESA-N 1 3 372.538 3.234 20 0 FGADHO CN(c1ccccc1CN1CCOC[C@@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117679 500195531 /nfs/dbraw/zinc/19/55/31/500195531.db2.gz ZKKPCEVATSCENZ-NRFANRHFSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1)C1CCN(C)CC1 ZINC000430117679 500195533 /nfs/dbraw/zinc/19/55/33/500195533.db2.gz ZKKPCEVATSCENZ-NRFANRHFSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1)C1CCN(C)CC1 ZINC000430117679 500195534 /nfs/dbraw/zinc/19/55/34/500195534.db2.gz ZKKPCEVATSCENZ-NRFANRHFSA-N 1 3 371.569 3.466 20 0 FGADHO COCC[C@H](c1ccccc1)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958034 500216904 /nfs/dbraw/zinc/21/69/04/500216904.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 1 3 368.521 3.333 20 0 FGADHO COCC[C@H](c1ccccc1)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958034 500216907 /nfs/dbraw/zinc/21/69/07/500216907.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 1 3 368.521 3.333 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418159855 500239458 /nfs/dbraw/zinc/23/94/58/500239458.db2.gz RKMRFLKFROZPMN-GOSISDBHSA-N 1 3 360.546 3.104 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174865 500242624 /nfs/dbraw/zinc/24/26/24/500242624.db2.gz FHIUSKUVSNDGET-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192422 500246841 /nfs/dbraw/zinc/24/68/41/500246841.db2.gz YRBXTEAUXYKWML-FHLIZLRMSA-N 1 3 366.937 3.102 20 0 FGADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542539 500251515 /nfs/dbraw/zinc/25/15/15/500251515.db2.gz KTVCZTYDTAPSKC-HUUCEWRRSA-N 1 3 351.922 3.227 20 0 FGADHO [NH3+]CCCNC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418311909 500260465 /nfs/dbraw/zinc/26/04/65/500260465.db2.gz NBMJYYFBSFUPRQ-NRFANRHFSA-N 1 3 372.557 3.202 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327849 500263226 /nfs/dbraw/zinc/26/32/26/500263226.db2.gz ZXMMQPTYBNFXFN-FQEVSTJZSA-N 1 3 372.557 3.202 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337985 500264974 /nfs/dbraw/zinc/26/49/74/500264974.db2.gz YQOWSZSZBOXFGQ-VDGAXYAQSA-N 1 3 360.546 3.324 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337985 500264975 /nfs/dbraw/zinc/26/49/75/500264975.db2.gz YQOWSZSZBOXFGQ-VDGAXYAQSA-N 1 3 360.546 3.324 20 0 FGADHO [NH3+]C[C@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642441 500265622 /nfs/dbraw/zinc/26/56/22/500265622.db2.gz KMFWWESXPSJEPK-UZLBHIALSA-N 1 3 357.523 3.015 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000418345514 500266142 /nfs/dbraw/zinc/26/61/42/500266142.db2.gz HIRLBFSNCUSQEO-DBVUQKKJSA-N 1 3 358.530 3.078 20 0 FGADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418356148 500267512 /nfs/dbraw/zinc/26/75/12/500267512.db2.gz XLHQOSQMYAYQNF-KOUHRCEDSA-N 1 3 372.557 3.242 20 0 FGADHO NC[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394078 500271535 /nfs/dbraw/zinc/27/15/35/500271535.db2.gz XJZFRLFFJXIWIM-UXHICEINSA-N 1 3 354.498 3.046 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418471569 500280560 /nfs/dbraw/zinc/28/05/60/500280560.db2.gz RRSXSVJQNRTSJW-UNMCSNQZSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)cc1 ZINC000418485359 500282243 /nfs/dbraw/zinc/28/22/43/500282243.db2.gz HCNAWHGQFJRXFD-KRWDZBQOSA-N 1 3 368.525 3.416 20 0 FGADHO CN(C)CCN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000418486110 500282442 /nfs/dbraw/zinc/28/24/42/500282442.db2.gz ITCGSJRDAWDQTQ-NRFANRHFSA-N 1 3 368.525 3.355 20 0 FGADHO NC[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccc2ccccc2c1 ZINC000418498607 500284656 /nfs/dbraw/zinc/28/46/56/500284656.db2.gz KFAOBDQCKFUILF-NRFANRHFSA-N 1 3 368.525 3.390 20 0 FGADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418553124 500290377 /nfs/dbraw/zinc/29/03/77/500290377.db2.gz MEUQPOJJCPNTQA-UHFFFAOYSA-N 1 3 370.541 3.087 20 0 FGADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000418553124 500290380 /nfs/dbraw/zinc/29/03/80/500290380.db2.gz MEUQPOJJCPNTQA-UHFFFAOYSA-N 1 3 370.541 3.087 20 0 FGADHO CC1CCN([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744824 500293075 /nfs/dbraw/zinc/29/30/75/500293075.db2.gz WROYDLMYEXGDBF-SSGKUCQKSA-N 1 3 371.569 3.206 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590901 500294497 /nfs/dbraw/zinc/29/44/97/500294497.db2.gz UGLYKWSCXFRQRQ-IEBWSBKVSA-N 1 3 370.541 3.086 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590901 500294499 /nfs/dbraw/zinc/29/44/99/500294499.db2.gz UGLYKWSCXFRQRQ-IEBWSBKVSA-N 1 3 370.541 3.086 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753261 500294611 /nfs/dbraw/zinc/29/46/11/500294611.db2.gz IGJJOOCVXCCQFR-KCZVDYSFSA-N 1 3 351.494 3.135 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772288 500295856 /nfs/dbraw/zinc/29/58/56/500295856.db2.gz WPODFTCIQYHVDF-NQIIRXRSSA-N 1 3 357.542 3.439 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cnccc3N)CC2)c1 ZINC000422809644 500301450 /nfs/dbraw/zinc/30/14/50/500301450.db2.gz MKDCYMXEYMKKEK-IBGZPJMESA-N 1 3 367.541 3.056 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833422 500303364 /nfs/dbraw/zinc/30/33/64/500303364.db2.gz GVFYGRRCLAAKAA-CHIMOYNISA-N 1 3 367.704 3.368 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847083 500305433 /nfs/dbraw/zinc/30/54/33/500305433.db2.gz QZYARHXGNYIEQZ-BBRMVZONSA-N 1 3 366.502 3.274 20 0 FGADHO COCCOc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860295 500306658 /nfs/dbraw/zinc/30/66/58/500306658.db2.gz LHXWWEMHVKANBA-RBBKRZOGSA-N 1 3 368.477 3.057 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418687591 500308080 /nfs/dbraw/zinc/30/80/80/500308080.db2.gz DNJBEGCUPJRDEN-HBFSDRIKSA-N 1 3 360.546 3.198 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929329 500308534 /nfs/dbraw/zinc/30/85/34/500308534.db2.gz VXXCIBUUMVXLPA-IAGOWNOFSA-N 1 3 353.510 3.337 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430929042 500308539 /nfs/dbraw/zinc/30/85/39/500308539.db2.gz NAPZMFGIDKZFFL-GOSISDBHSA-N 1 3 364.917 3.473 20 0 FGADHO CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418694616 500309339 /nfs/dbraw/zinc/30/93/39/500309339.db2.gz WAOLXMUNMKOINO-AZUAARDMSA-N 1 3 360.546 3.200 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885031 500310955 /nfs/dbraw/zinc/31/09/55/500310955.db2.gz SZRKGPVNCQUQHX-BBRMVZONSA-N 1 3 357.420 3.086 20 0 FGADHO CCN1CCN(Cc2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890198 500311347 /nfs/dbraw/zinc/31/13/47/500311347.db2.gz HWPRIONNFJTZJG-PKTZIBPZSA-N 1 3 364.537 3.059 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890058 500311676 /nfs/dbraw/zinc/31/16/76/500311676.db2.gz HSELBRCDXKBXGB-YJBOKZPZSA-N 1 3 366.347 3.131 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCOCC1 ZINC000422897230 500312747 /nfs/dbraw/zinc/31/27/47/500312747.db2.gz BNWZMFBGVDSMMH-YJBOKZPZSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422897230 500312750 /nfs/dbraw/zinc/31/27/50/500312750.db2.gz BNWZMFBGVDSMMH-YJBOKZPZSA-N 1 3 366.933 3.375 20 0 FGADHO Cc1nccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cc1F ZINC000422904169 500314068 /nfs/dbraw/zinc/31/40/68/500314068.db2.gz PSWLREIAALVPFB-FOIQADDNSA-N 1 3 352.457 3.368 20 0 FGADHO CCc1nc(CN2CCC(CN[C@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913015 500315276 /nfs/dbraw/zinc/31/52/76/500315276.db2.gz OVRGYKGJWXMMFN-MSOLQXFVSA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H](CC)[C@@H]3CCCN3)CC2)cs1 ZINC000422913015 500315278 /nfs/dbraw/zinc/31/52/78/500315278.db2.gz OVRGYKGJWXMMFN-MSOLQXFVSA-N 1 3 350.576 3.038 20 0 FGADHO CO[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923781 500317926 /nfs/dbraw/zinc/31/79/26/500317926.db2.gz XBJXFEAAFMRPQH-CEWLAPEOSA-N 1 3 356.441 3.359 20 0 FGADHO Clc1cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928420 500318524 /nfs/dbraw/zinc/31/85/24/500318524.db2.gz KMIOYUCCVXRUOU-OIISXLGYSA-N 1 3 350.890 3.164 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938174 500319665 /nfs/dbraw/zinc/31/96/65/500319665.db2.gz GTHQEOATAJHCBP-BBRMVZONSA-N 1 3 366.889 3.075 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004412 500321232 /nfs/dbraw/zinc/32/12/32/500321232.db2.gz QZUYTNAIVUSWOM-NHCUHLMSSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@H](NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949885 500322460 /nfs/dbraw/zinc/32/24/60/500322460.db2.gz UWGCSIAVELIDRO-HDMKZQKVSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952503 500322484 /nfs/dbraw/zinc/32/24/84/500322484.db2.gz COKRJHQXRQOYOW-CZPYZCIJSA-N 1 3 373.360 3.272 20 0 FGADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952503 500322486 /nfs/dbraw/zinc/32/24/86/500322486.db2.gz COKRJHQXRQOYOW-CZPYZCIJSA-N 1 3 373.360 3.272 20 0 FGADHO Cn1cc(-c2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961454 500324497 /nfs/dbraw/zinc/32/44/97/500324497.db2.gz CBCYDHGIRKYCEX-FYYLOGMGSA-N 1 3 374.488 3.433 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026243 500332647 /nfs/dbraw/zinc/33/26/47/500332647.db2.gz PWLAPDPVNADUFP-CYFNAFFESA-N 1 3 372.900 3.125 20 0 FGADHO CCOC(=O)C1([C@@H](C)NC2(c3ccc(F)cc3F)CCC2)CC[NH2+]CC1 ZINC000423029127 500332968 /nfs/dbraw/zinc/33/29/68/500332968.db2.gz RRIGLHDUIKOGTM-CQSZACIVSA-N 1 3 366.452 3.255 20 0 FGADHO CCN(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069924 500338004 /nfs/dbraw/zinc/33/80/04/500338004.db2.gz FKZWFSBDHYRBTQ-AEFFLSMTSA-N 1 3 371.447 3.106 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)c1 ZINC000423084737 500339805 /nfs/dbraw/zinc/33/98/05/500339805.db2.gz IRBSVBCUMFMHQH-IXDOHACOSA-N 1 3 369.351 3.326 20 0 FGADHO Fc1ccc(C2CC(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094845 500341299 /nfs/dbraw/zinc/34/12/99/500341299.db2.gz CVEGNNYWDQDTNX-HLJPGJHGSA-N 1 3 352.881 3.472 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127277 500345918 /nfs/dbraw/zinc/34/59/18/500345918.db2.gz BTNADDHZKPRKSW-BZUAXINKSA-N 1 3 352.906 3.410 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423152372 500349036 /nfs/dbraw/zinc/34/90/36/500349036.db2.gz FSCBDMKDYXGXMD-ZVZYQTTQSA-N 1 3 369.347 3.016 20 0 FGADHO Cc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242976 500358279 /nfs/dbraw/zinc/35/82/79/500358279.db2.gz FYRKWSQBTFVOOP-DYESRHJHSA-N 1 3 372.534 3.077 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC)CC2)N(CC)CC)cc1 ZINC000431286282 500359038 /nfs/dbraw/zinc/35/90/38/500359038.db2.gz XPTIFFBHBMQAFG-OAQYLSRUSA-N 1 3 374.573 3.415 20 0 FGADHO CNC[C@H](C)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423270750 500360696 /nfs/dbraw/zinc/36/06/96/500360696.db2.gz IJFWKSRTUBBTBW-QWHCGFSZSA-N 1 3 360.283 3.057 20 0 FGADHO C[NH2+]C[C@H](C)CN[C@H](C)CCc1ccc(I)cc1 ZINC000423270750 500360698 /nfs/dbraw/zinc/36/06/98/500360698.db2.gz IJFWKSRTUBBTBW-QWHCGFSZSA-N 1 3 360.283 3.057 20 0 FGADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ccccc1I ZINC000423343846 500365165 /nfs/dbraw/zinc/36/51/65/500365165.db2.gz XIYIDJLXVFCSMI-GFCCVEGCSA-N 1 3 358.267 3.332 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393885 500370635 /nfs/dbraw/zinc/37/06/35/500370635.db2.gz RMZQMHYCMJYGSL-RISCZKNCSA-N 1 3 369.353 3.192 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406672 /nfs/dbraw/zinc/40/66/72/500406672.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406673 /nfs/dbraw/zinc/40/66/73/500406673.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000431852270 500434283 /nfs/dbraw/zinc/43/42/83/500434283.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000431852270 500434286 /nfs/dbraw/zinc/43/42/86/500434286.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 1 3 357.542 3.420 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296759 500435741 /nfs/dbraw/zinc/43/57/41/500435741.db2.gz DTZDRWFBVBKCFO-AVRDEDQJSA-N 1 3 365.521 3.424 20 0 FGADHO Ic1ccccc1[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420295733 500435898 /nfs/dbraw/zinc/43/58/98/500435898.db2.gz CNMXMLWSOYEVPM-XJKSGUPXSA-N 1 3 370.278 3.428 20 0 FGADHO Ic1ccccc1[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420295731 500436148 /nfs/dbraw/zinc/43/61/48/500436148.db2.gz CNMXMLWSOYEVPM-CZUORRHYSA-N 1 3 370.278 3.428 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297894 500436565 /nfs/dbraw/zinc/43/65/65/500436565.db2.gz DUCKEQGCTSGLCD-QUCCMNQESA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297894 500436567 /nfs/dbraw/zinc/43/65/67/500436567.db2.gz DUCKEQGCTSGLCD-QUCCMNQESA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297894 500436570 /nfs/dbraw/zinc/43/65/70/500436570.db2.gz DUCKEQGCTSGLCD-QUCCMNQESA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317655 500441183 /nfs/dbraw/zinc/44/11/83/500441183.db2.gz NPBXXBIWCZDQCS-QFBILLFUSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317655 500441184 /nfs/dbraw/zinc/44/11/84/500441184.db2.gz NPBXXBIWCZDQCS-QFBILLFUSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317655 500441187 /nfs/dbraw/zinc/44/11/87/500441187.db2.gz NPBXXBIWCZDQCS-QFBILLFUSA-N 1 3 365.481 3.011 20 0 FGADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333201 500443229 /nfs/dbraw/zinc/44/32/29/500443229.db2.gz SMLMEKPFDHFJTB-NEWSRXKRSA-N 1 3 361.505 3.057 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361847 500448079 /nfs/dbraw/zinc/44/80/79/500448079.db2.gz NORYUVMDAPVBOO-FQEVSTJZSA-N 1 3 356.514 3.126 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000420361847 500448080 /nfs/dbraw/zinc/44/80/80/500448080.db2.gz NORYUVMDAPVBOO-FQEVSTJZSA-N 1 3 356.514 3.126 20 0 FGADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000420372886 500450023 /nfs/dbraw/zinc/45/00/23/500450023.db2.gz YKIZMJRFXIQNBQ-AWEZNQCLSA-N 1 3 361.711 3.459 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382566 500452058 /nfs/dbraw/zinc/45/20/58/500452058.db2.gz DQZZGOHJRBBCMQ-KDOFPFPSSA-N 1 3 356.869 3.076 20 0 FGADHO CSc1ccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391107 500453900 /nfs/dbraw/zinc/45/39/00/500453900.db2.gz OARDNSUQZOWMND-LPHOPBHVSA-N 1 3 350.528 3.006 20 0 FGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCN3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000424265286 500478266 /nfs/dbraw/zinc/47/82/66/500478266.db2.gz JTHUTBBCOPUBRP-MLMHEIKCSA-N 1 3 371.569 3.382 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297577 500483105 /nfs/dbraw/zinc/48/31/05/500483105.db2.gz SYROPUHKISWDQM-HZPDHXFCSA-N 1 3 363.933 3.323 20 0 FGADHO CCN1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690806 500544455 /nfs/dbraw/zinc/54/44/55/500544455.db2.gz LSJCOUKOOUOOAF-PZJWPPBQSA-N 1 3 374.573 3.489 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCOCc3ccccc3)CC2)CC1 ZINC000420985173 500548734 /nfs/dbraw/zinc/54/87/34/500548734.db2.gz VSWVWFMGOWQYCT-UHFFFAOYSA-N 1 3 359.558 3.085 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCOCc3ccccc3)CC2)CC1 ZINC000420985173 500548735 /nfs/dbraw/zinc/54/87/35/500548735.db2.gz VSWVWFMGOWQYCT-UHFFFAOYSA-N 1 3 359.558 3.085 20 0 FGADHO CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000576631395 506202683 /nfs/dbraw/zinc/20/26/83/506202683.db2.gz NZMQUJYHLHHTFF-IRXDYDNUSA-N 1 3 352.544 3.002 20 0 FGADHO C[NH+]1CCC(C)(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000442591488 500602048 /nfs/dbraw/zinc/60/20/48/500602048.db2.gz IFGVJUASSPZYJG-UHFFFAOYSA-N 1 3 364.578 3.064 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597676 500631154 /nfs/dbraw/zinc/63/11/54/500631154.db2.gz TUQXBJWHEPMPBW-BRXKOZLESA-N 1 3 370.537 3.498 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597676 500631156 /nfs/dbraw/zinc/63/11/56/500631156.db2.gz TUQXBJWHEPMPBW-BRXKOZLESA-N 1 3 370.537 3.498 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871049 500637100 /nfs/dbraw/zinc/63/71/00/500637100.db2.gz AXDFUWZCVPEUCP-AWEZNQCLSA-N 1 3 352.592 3.426 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872222 500637253 /nfs/dbraw/zinc/63/72/53/500637253.db2.gz HXAINLBEHPIZDU-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000433162286 500637508 /nfs/dbraw/zinc/63/75/08/500637508.db2.gz UENCNYNGINRRJR-GOSISDBHSA-N 1 3 357.523 3.377 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876593 500637927 /nfs/dbraw/zinc/63/79/27/500637927.db2.gz RXZHQXUQQJVNTA-MRXNPFEDSA-N 1 3 353.963 3.493 20 0 FGADHO O=C(NC1CCN(C2CC2)CC1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442897292 500643000 /nfs/dbraw/zinc/64/30/00/500643000.db2.gz MAMZNFKKROQNHA-AUSIDOKSSA-N 1 3 367.537 3.032 20 0 FGADHO O=C(NC1CCN(C2CC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442897292 500643003 /nfs/dbraw/zinc/64/30/03/500643003.db2.gz MAMZNFKKROQNHA-AUSIDOKSSA-N 1 3 367.537 3.032 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(C[NH+](C)C)cc3)cccc21 ZINC000447721655 500653129 /nfs/dbraw/zinc/65/31/29/500653129.db2.gz GWRNMNVBRYWLPK-LJQANCHMSA-N 1 3 353.466 3.386 20 0 FGADHO C[C@@H](CC[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000447810970 500667520 /nfs/dbraw/zinc/66/75/20/500667520.db2.gz CGDQTXJKNMTHAR-FQEVSTJZSA-N 1 3 352.526 3.377 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc1 ZINC000433322769 500672838 /nfs/dbraw/zinc/67/28/38/500672838.db2.gz ZAQGJEMMKKSMNZ-FQEVSTJZSA-N 1 3 359.514 3.363 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000433574417 500715542 /nfs/dbraw/zinc/71/55/42/500715542.db2.gz IUYMFLZBSFYOAV-OAQYLSRUSA-N 1 3 370.541 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000443636333 500748143 /nfs/dbraw/zinc/74/81/43/500748143.db2.gz AYQCVKKONGTELB-RTBURBONSA-N 1 3 357.542 3.267 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000443639627 500748174 /nfs/dbraw/zinc/74/81/74/500748174.db2.gz GVEIIALLUFNWCR-LPHOPBHVSA-N 1 3 369.475 3.472 20 0 FGADHO CC(C)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000444768523 500895921 /nfs/dbraw/zinc/89/59/21/500895921.db2.gz UFEVXWJYJLAKPM-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO CSc1ccc([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000439467960 500900857 /nfs/dbraw/zinc/90/08/57/500900857.db2.gz JRFMHUDJVKNKQQ-UZLBHIALSA-N 1 3 371.550 3.478 20 0 FGADHO C[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037452 500907516 /nfs/dbraw/zinc/90/75/16/500907516.db2.gz NHONXSUFWXJKFH-GQIGUUNPSA-N 1 3 351.485 3.026 20 0 FGADHO C[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037452 500907517 /nfs/dbraw/zinc/90/75/17/500907517.db2.gz NHONXSUFWXJKFH-GQIGUUNPSA-N 1 3 351.485 3.026 20 0 FGADHO CC(C)[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070439 500917168 /nfs/dbraw/zinc/91/71/68/500917168.db2.gz KFCMFEOYUKDDBR-OFNKIYASSA-N 1 3 373.585 3.028 20 0 FGADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc2ccccc21 ZINC000449109849 500927220 /nfs/dbraw/zinc/92/72/20/500927220.db2.gz YYKKIKBRKYQHSY-UHFFFAOYSA-N 1 3 367.537 3.497 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449132968 500932209 /nfs/dbraw/zinc/93/22/09/500932209.db2.gz WOVYHXVDZHKPJX-GOSISDBHSA-N 1 3 355.526 3.212 20 0 FGADHO C[C@@H](CNC1CC[NH+](C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184855 500943242 /nfs/dbraw/zinc/94/32/42/500943242.db2.gz NJDHSCCPOSBETG-INIZCTEOSA-N 1 3 364.555 3.190 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184855 500943244 /nfs/dbraw/zinc/94/32/44/500943244.db2.gz NJDHSCCPOSBETG-INIZCTEOSA-N 1 3 364.555 3.190 20 0 FGADHO COc1cccc2c(CNC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cccc12 ZINC000449193349 500945134 /nfs/dbraw/zinc/94/51/34/500945134.db2.gz SDBWWGCHWSPJMQ-NHCUHLMSSA-N 1 3 354.494 3.316 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215206 500949977 /nfs/dbraw/zinc/94/99/77/500949977.db2.gz NDIFTGIFXNADDY-SIKLNZKXSA-N 1 3 364.537 3.346 20 0 FGADHO Cc1cccc(CC[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000449224560 500951731 /nfs/dbraw/zinc/95/17/31/500951731.db2.gz MEDAZKANHRKYJN-UHFFFAOYSA-N 1 3 365.521 3.153 20 0 FGADHO COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383338 500964188 /nfs/dbraw/zinc/96/41/88/500964188.db2.gz GQESNHIBCQHBKZ-UFYCRDLUSA-N 1 3 367.493 3.228 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115662 500976519 /nfs/dbraw/zinc/97/65/19/500976519.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115662 500976523 /nfs/dbraw/zinc/97/65/23/500976523.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 1 3 355.526 3.345 20 0 FGADHO CCN(Cc1cc(C[N@H+](CC)CC(C)(C)O)ccc1F)CC(C)(C)O ZINC000450414812 501116108 /nfs/dbraw/zinc/11/61/08/501116108.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 1 3 354.510 3.011 20 0 FGADHO CCN(Cc1cc(C[N@@H+](CC)CC(C)(C)O)ccc1F)CC(C)(C)O ZINC000450414812 501116110 /nfs/dbraw/zinc/11/61/10/501116110.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 1 3 354.510 3.011 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000446756477 501161823 /nfs/dbraw/zinc/16/18/23/501161823.db2.gz IYYPDSIYXMHRFM-OAQYLSRUSA-N 1 3 355.530 3.430 20 0 FGADHO Brc1cc2c(c(CNCC3CC[NH+](C4CC4)CC3)c1)OCC2 ZINC000446885175 501177778 /nfs/dbraw/zinc/17/77/78/501177778.db2.gz UTVRVVKBIBEATF-UHFFFAOYSA-N 1 3 365.315 3.348 20 0 FGADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107708 501271066 /nfs/dbraw/zinc/27/10/66/501271066.db2.gz JINYLDOHGIYXGT-RTWAWAEBSA-N 1 3 366.509 3.020 20 0 FGADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107708 501271069 /nfs/dbraw/zinc/27/10/69/501271069.db2.gz JINYLDOHGIYXGT-RTWAWAEBSA-N 1 3 366.509 3.020 20 0 FGADHO CN(C)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453126522 501274838 /nfs/dbraw/zinc/27/48/38/501274838.db2.gz SQARMHWETBJXHQ-BDTNDASRSA-N 1 3 371.569 3.130 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453130792 501275444 /nfs/dbraw/zinc/27/54/44/501275444.db2.gz SVGFMZXBSGKMNE-QGZVFWFLSA-N 1 3 367.331 3.263 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000453148050 501279458 /nfs/dbraw/zinc/27/94/58/501279458.db2.gz QPDRHWQMYKBARY-UHFFFAOYSA-N 1 3 365.521 3.015 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(OCCN(C)C)cc1 ZINC000453248373 501298467 /nfs/dbraw/zinc/29/84/67/501298467.db2.gz PNGIZAGPLMSMKL-UZLBHIALSA-N 1 3 360.473 3.020 20 0 FGADHO C[C@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000455627119 501350359 /nfs/dbraw/zinc/35/03/59/501350359.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000455627119 501350361 /nfs/dbraw/zinc/35/03/61/501350361.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000458157334 501381324 /nfs/dbraw/zinc/38/13/24/501381324.db2.gz UTYPTSMWCXETDG-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000458157334 501381326 /nfs/dbraw/zinc/38/13/26/501381326.db2.gz UTYPTSMWCXETDG-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000451931932 501403239 /nfs/dbraw/zinc/40/32/39/501403239.db2.gz MAHIJDHSYONYDO-GOSISDBHSA-N 1 3 357.542 3.244 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](N4CCCCC4)C3)ccc21 ZINC000455892905 501409090 /nfs/dbraw/zinc/40/90/90/501409090.db2.gz CACJDNGJLCSOSU-ICSRJNTNSA-N 1 3 356.514 3.328 20 0 FGADHO Cc1cc(NC(=O)CC2(N3CCOCC3)CCCC2)ccc1C[NH+](C)C ZINC000458284633 501411750 /nfs/dbraw/zinc/41/17/50/501411750.db2.gz MUGMBYBGFJDEEN-UHFFFAOYSA-N 1 3 359.514 3.030 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000458438892 501444526 /nfs/dbraw/zinc/44/45/26/501444526.db2.gz ZUCFVVAMSPWXOO-IBGZPJMESA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458486394 501455486 /nfs/dbraw/zinc/45/54/86/501455486.db2.gz GPKCAXLTPUEFDT-ICSRJNTNSA-N 1 3 374.573 3.459 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000456300336 501492127 /nfs/dbraw/zinc/49/21/27/501492127.db2.gz GUIQCICXVXCTGO-LJQANCHMSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)N(C)CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454621 501504065 /nfs/dbraw/zinc/50/40/65/501504065.db2.gz VELJJDZDAIOMLH-JOCHJYFZSA-N 1 3 371.569 3.476 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358537 501522470 /nfs/dbraw/zinc/52/24/70/501522470.db2.gz GRXINQMSPZZSHK-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC2=CCN(C)CC2)[NH+](CC)CC)cc1 ZINC000458793099 501532927 /nfs/dbraw/zinc/53/29/27/501532927.db2.gz MCMGOMMOSPSQLA-NRFANRHFSA-N 1 3 372.557 3.193 20 0 FGADHO CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458860448 501547196 /nfs/dbraw/zinc/54/71/96/501547196.db2.gz VRMYRYJEEOJVSG-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000458938239 501562297 /nfs/dbraw/zinc/56/22/97/501562297.db2.gz OXNDIIMFJABQTB-FQEVSTJZSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454527931 501570160 /nfs/dbraw/zinc/57/01/60/501570160.db2.gz VVMZEVFFWBSSEI-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454527931 501570163 /nfs/dbraw/zinc/57/01/63/501570163.db2.gz VVMZEVFFWBSSEI-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459381232 501643438 /nfs/dbraw/zinc/64/34/38/501643438.db2.gz BUYNZFDQOUYNGC-UHFFFAOYSA-N 1 3 365.525 3.046 20 0 FGADHO O=C1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1ccccc1Cl ZINC000459412381 501649563 /nfs/dbraw/zinc/64/95/63/501649563.db2.gz KJVXXNKAGMJRPW-MRXNPFEDSA-N 1 3 370.884 3.099 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000459414126 501649660 /nfs/dbraw/zinc/64/96/60/501649660.db2.gz PSIUDLCGARVWTI-AQNXPRMDSA-N 1 3 364.555 3.160 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC000459454942 501656506 /nfs/dbraw/zinc/65/65/06/501656506.db2.gz DMTQCFDQMUQRCO-UHFFFAOYSA-N 1 3 365.521 3.188 20 0 FGADHO c1ncn(CC[N@@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)n1 ZINC000459529632 501670564 /nfs/dbraw/zinc/67/05/64/501670564.db2.gz SBGTVCFPTZSLFJ-JOCHJYFZSA-N 1 3 367.541 3.435 20 0 FGADHO c1ncn(CC[N@H+]2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)n1 ZINC000459529632 501670565 /nfs/dbraw/zinc/67/05/65/501670565.db2.gz SBGTVCFPTZSLFJ-JOCHJYFZSA-N 1 3 367.541 3.435 20 0 FGADHO COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000459764052 501710533 /nfs/dbraw/zinc/71/05/33/501710533.db2.gz WNIQZMUJYBRLEN-NYVOZVTQSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764052 501710535 /nfs/dbraw/zinc/71/05/35/501710535.db2.gz WNIQZMUJYBRLEN-NYVOZVTQSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764052 501710538 /nfs/dbraw/zinc/71/05/38/501710538.db2.gz WNIQZMUJYBRLEN-NYVOZVTQSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCC[C@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC000459800681 501715903 /nfs/dbraw/zinc/71/59/03/501715903.db2.gz ZXODGXLDRKZLIM-LJQANCHMSA-N 1 3 370.541 3.378 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCC[C@H]3CCC[N@@H+](C)C3)c2C)cc1 ZINC000459800681 501715905 /nfs/dbraw/zinc/71/59/05/501715905.db2.gz ZXODGXLDRKZLIM-LJQANCHMSA-N 1 3 370.541 3.378 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000470663524 501758074 /nfs/dbraw/zinc/75/80/74/501758074.db2.gz PSVZSEVGIHISJQ-LJQANCHMSA-N 1 3 363.521 3.228 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000485417642 501815085 /nfs/dbraw/zinc/81/50/85/501815085.db2.gz WZKAOBYRWQLWRR-XQBPLPMBSA-N 1 3 365.521 3.192 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000460508489 501844054 /nfs/dbraw/zinc/84/40/54/501844054.db2.gz FKSJTHVHWYUDOU-FQEVSTJZSA-N 1 3 366.594 3.262 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000460508489 501844058 /nfs/dbraw/zinc/84/40/58/501844058.db2.gz FKSJTHVHWYUDOU-FQEVSTJZSA-N 1 3 366.594 3.262 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520465 501847664 /nfs/dbraw/zinc/84/76/64/501847664.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520465 501847666 /nfs/dbraw/zinc/84/76/66/501847666.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000458775607 501869734 /nfs/dbraw/zinc/86/97/34/501869734.db2.gz RMWCYVPLQPHQNV-YJBOKZPZSA-N 1 3 362.518 3.025 20 0 FGADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000474602905 501890255 /nfs/dbraw/zinc/89/02/55/501890255.db2.gz UJOIIQBXXCQKGQ-IFMALSPDSA-N 1 3 359.558 3.384 20 0 FGADHO CC[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)N1CCc2ccccc2C1 ZINC000485666025 501893731 /nfs/dbraw/zinc/89/37/31/501893731.db2.gz NMNVOAZRLZSGGD-NRFANRHFSA-N 1 3 365.521 3.315 20 0 FGADHO Fc1cc(Cl)cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000485691577 501902950 /nfs/dbraw/zinc/90/29/50/501902950.db2.gz DGEHBUJNRIQFJU-UHFFFAOYSA-N 1 3 362.880 3.176 20 0 FGADHO CC(C)C[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021598 501932714 /nfs/dbraw/zinc/93/27/14/501932714.db2.gz KHKSAFBAEVWUFS-YZGWKJHDSA-N 1 3 372.557 3.288 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582541689 506284614 /nfs/dbraw/zinc/28/46/14/506284614.db2.gz NSCHDFARUIVXSS-SFHVURJKSA-N 1 3 358.448 3.319 20 0 FGADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)s1 ZINC000482112664 501978858 /nfs/dbraw/zinc/97/88/58/501978858.db2.gz VTDCSLMIKXGIGA-MRXNPFEDSA-N 1 3 373.570 3.272 20 0 FGADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482130267 501982748 /nfs/dbraw/zinc/98/27/48/501982748.db2.gz UVFYRVIFWWEDSZ-HTAPYJJXSA-N 1 3 368.500 3.256 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000471379418 502004270 /nfs/dbraw/zinc/00/42/70/502004270.db2.gz IEFYMDNRBNUUJM-JOCHJYFZSA-N 1 3 365.521 3.162 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000471379418 502004276 /nfs/dbraw/zinc/00/42/76/502004276.db2.gz IEFYMDNRBNUUJM-JOCHJYFZSA-N 1 3 365.521 3.162 20 0 FGADHO Cc1ccc(-n2cc(CNCCOCC[NH+](C)C)c(C(C)(C)C)n2)cc1 ZINC000471556495 502063814 /nfs/dbraw/zinc/06/38/14/502063814.db2.gz SYRLKJVWIXXQBL-UHFFFAOYSA-N 1 3 358.530 3.146 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000464778190 502091619 /nfs/dbraw/zinc/09/16/19/502091619.db2.gz RRTITAWTJCUXPX-UEXGIBASSA-N 1 3 359.558 3.367 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000464778190 502091624 /nfs/dbraw/zinc/09/16/24/502091624.db2.gz RRTITAWTJCUXPX-UEXGIBASSA-N 1 3 359.558 3.367 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825199 502107874 /nfs/dbraw/zinc/10/78/74/502107874.db2.gz CFMWQLVOADXIJN-PZJWPPBQSA-N 1 3 374.573 3.347 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825199 502107881 /nfs/dbraw/zinc/10/78/81/502107881.db2.gz CFMWQLVOADXIJN-PZJWPPBQSA-N 1 3 374.573 3.347 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000471839247 502150194 /nfs/dbraw/zinc/15/01/94/502150194.db2.gz ZETZPADEIKERSF-UHFFFAOYSA-N 1 3 374.573 3.414 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000461633007 502158735 /nfs/dbraw/zinc/15/87/35/502158735.db2.gz RNNLTAMCXORISJ-LJQANCHMSA-N 1 3 374.573 3.067 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000461633007 502158737 /nfs/dbraw/zinc/15/87/37/502158737.db2.gz RNNLTAMCXORISJ-LJQANCHMSA-N 1 3 374.573 3.067 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178954 /nfs/dbraw/zinc/17/89/54/502178954.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178960 /nfs/dbraw/zinc/17/89/60/502178960.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 1 3 360.546 3.021 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280022 502213182 /nfs/dbraw/zinc/21/31/82/502213182.db2.gz JBOCCYWFTXSYID-XLAORIBOSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280022 502213186 /nfs/dbraw/zinc/21/31/86/502213186.db2.gz JBOCCYWFTXSYID-XLAORIBOSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353431 502232565 /nfs/dbraw/zinc/23/25/65/502232565.db2.gz TZTVYCXLMVHTGC-VSZNYVQBSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353431 502232570 /nfs/dbraw/zinc/23/25/70/502232570.db2.gz TZTVYCXLMVHTGC-VSZNYVQBSA-N 1 3 364.534 3.128 20 0 FGADHO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000472150684 502249186 /nfs/dbraw/zinc/24/91/86/502249186.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 1 3 360.542 3.149 20 0 FGADHO CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000472150684 502249189 /nfs/dbraw/zinc/24/91/89/502249189.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 1 3 360.542 3.149 20 0 FGADHO CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000461977288 502260458 /nfs/dbraw/zinc/26/04/58/502260458.db2.gz MXBLHVVQNARPRW-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000483113121 502277916 /nfs/dbraw/zinc/27/79/16/502277916.db2.gz ANSMJOAURNTSIV-HNNXBMFYSA-N 1 3 374.356 3.034 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154843 502317141 /nfs/dbraw/zinc/31/71/41/502317141.db2.gz IYKHQLAQTMXQFV-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154843 502317146 /nfs/dbraw/zinc/31/71/46/502317146.db2.gz IYKHQLAQTMXQFV-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000475904469 502326963 /nfs/dbraw/zinc/32/69/63/502326963.db2.gz ZHIWOGDTMSUNQC-HNNXBMFYSA-N 1 3 353.938 3.397 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398876 /nfs/dbraw/zinc/39/88/76/502398876.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398881 /nfs/dbraw/zinc/39/88/81/502398881.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398948 /nfs/dbraw/zinc/39/89/48/502398948.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398952 /nfs/dbraw/zinc/39/89/52/502398952.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 1 3 366.575 3.161 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600118 502440381 /nfs/dbraw/zinc/44/03/81/502440381.db2.gz RIGDXDCBYZXZKF-FGZHOGPDSA-N 1 3 369.553 3.231 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600118 502440386 /nfs/dbraw/zinc/44/03/86/502440386.db2.gz RIGDXDCBYZXZKF-FGZHOGPDSA-N 1 3 369.553 3.231 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466033973 502460666 /nfs/dbraw/zinc/46/06/66/502460666.db2.gz DPMZHCZMIKTJNN-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483704482 502468737 /nfs/dbraw/zinc/46/87/37/502468737.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 1 3 369.553 3.300 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483704482 502468743 /nfs/dbraw/zinc/46/87/43/502468743.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 1 3 369.553 3.300 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473020428 502502019 /nfs/dbraw/zinc/50/20/19/502502019.db2.gz JTQQCNPYDCATMI-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473020428 502502023 /nfs/dbraw/zinc/50/20/23/502502023.db2.gz JTQQCNPYDCATMI-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000480256640 502514713 /nfs/dbraw/zinc/51/47/13/502514713.db2.gz LKVKVGFPYVOBPT-LJQANCHMSA-N 1 3 367.537 3.336 20 0 FGADHO CC(C)CN(C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000469767864 502537885 /nfs/dbraw/zinc/53/78/85/502537885.db2.gz ZZZKRKPSKGPTNT-RTBURBONSA-N 1 3 371.569 3.380 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)[C@@H]1Oc1ccccc1 ZINC000480334017 502539829 /nfs/dbraw/zinc/53/98/29/502539829.db2.gz MVVMUNVHBCKRHT-VSKRKVRLSA-N 1 3 354.494 3.463 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)N(C)C)cc1 ZINC000476631419 502545505 /nfs/dbraw/zinc/54/55/05/502545505.db2.gz RLCPNFNSJPVJNH-UXHICEINSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)N(C)C)cc1 ZINC000476631419 502545511 /nfs/dbraw/zinc/54/55/11/502545511.db2.gz RLCPNFNSJPVJNH-UXHICEINSA-N 1 3 360.546 3.025 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000473290382 502560090 /nfs/dbraw/zinc/56/00/90/502560090.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000473290382 502560094 /nfs/dbraw/zinc/56/00/94/502560094.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO COc1ccc2oc([C@H](C)[NH2+]C3CCN(CCN(C)C)CC3)c(C)c2c1 ZINC000480532855 502593017 /nfs/dbraw/zinc/59/30/17/502593017.db2.gz ALZWXAPHGVYZGH-INIZCTEOSA-N 1 3 359.514 3.426 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462860398 502602578 /nfs/dbraw/zinc/60/25/78/502602578.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 1 3 365.521 3.186 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462860398 502602581 /nfs/dbraw/zinc/60/25/81/502602581.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 1 3 365.521 3.186 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968197 502612522 /nfs/dbraw/zinc/61/25/22/502612522.db2.gz YAGKEKDQACLYTM-LJQANCHMSA-N 1 3 362.514 3.264 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000484345875 502630205 /nfs/dbraw/zinc/63/02/05/502630205.db2.gz WWHSUDCWHBARFR-APWZRJJASA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[C@H](CN[C@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654476 502633938 /nfs/dbraw/zinc/63/39/38/502633938.db2.gz SUDDGDKSFCAAGB-HJNYFJLDSA-N 1 3 359.558 3.158 20 0 FGADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000463035504 502669283 /nfs/dbraw/zinc/66/92/83/502669283.db2.gz QRUKPEUTWWXQNY-RTWAWAEBSA-N 1 3 359.558 3.116 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480905183 502701747 /nfs/dbraw/zinc/70/17/47/502701747.db2.gz GZMWSGMVLCGEMU-SFHVURJKSA-N 1 3 369.509 3.016 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000477223689 502712102 /nfs/dbraw/zinc/71/21/02/502712102.db2.gz QMKBGRCXRMWUQP-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000477223689 502712104 /nfs/dbraw/zinc/71/21/04/502712104.db2.gz QMKBGRCXRMWUQP-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc2c(c1)CNC2 ZINC000470464178 502784783 /nfs/dbraw/zinc/78/47/83/502784783.db2.gz GEFCNHKYAQKOAO-IRXDYDNUSA-N 1 3 363.505 3.176 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000470476544 502789058 /nfs/dbraw/zinc/78/90/58/502789058.db2.gz ZITWOOWEEKXJNK-NRFANRHFSA-N 1 3 374.573 3.459 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131526 502828728 /nfs/dbraw/zinc/82/87/28/502828728.db2.gz IWMQGQCUZHGPMX-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H](C(=O)NC1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048512 502922287 /nfs/dbraw/zinc/92/22/87/502922287.db2.gz VXTOVCXKAYISEV-KRWDZBQOSA-N 1 3 358.530 3.067 20 0 FGADHO C[N@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501049108 502922407 /nfs/dbraw/zinc/92/24/07/502922407.db2.gz SPNVUCBVNMHHSR-UHFFFAOYSA-N 1 3 372.557 3.316 20 0 FGADHO C[N@@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501049108 502922409 /nfs/dbraw/zinc/92/24/09/502922409.db2.gz SPNVUCBVNMHHSR-UHFFFAOYSA-N 1 3 372.557 3.316 20 0 FGADHO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063146 502925595 /nfs/dbraw/zinc/92/55/95/502925595.db2.gz GFZZFNHEBJMCOR-SIKLNZKXSA-N 1 3 359.558 3.494 20 0 FGADHO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063146 502925600 /nfs/dbraw/zinc/92/56/00/502925600.db2.gz GFZZFNHEBJMCOR-SIKLNZKXSA-N 1 3 359.558 3.494 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161797 502952185 /nfs/dbraw/zinc/95/21/85/502952185.db2.gz GNSYWPOGJTXGSL-AEFFLSMTSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161797 502952186 /nfs/dbraw/zinc/95/21/86/502952186.db2.gz GNSYWPOGJTXGSL-AEFFLSMTSA-N 1 3 366.575 3.305 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000489435624 502957962 /nfs/dbraw/zinc/95/79/62/502957962.db2.gz XDWAGBLONZVDTN-HBMCJLEFSA-N 1 3 372.557 3.304 20 0 FGADHO COCC[C@@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497495848 502973237 /nfs/dbraw/zinc/97/32/37/502973237.db2.gz OPFGBLAMSGCVFR-PJEZACDQSA-N 1 3 357.542 3.007 20 0 FGADHO COCC[C@@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497495848 502973242 /nfs/dbraw/zinc/97/32/42/502973242.db2.gz OPFGBLAMSGCVFR-PJEZACDQSA-N 1 3 357.542 3.007 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000513667334 502995434 /nfs/dbraw/zinc/99/54/34/502995434.db2.gz QNILEKZDSYCMRV-HYVNUMGLSA-N 1 3 350.890 3.464 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000513690589 503001756 /nfs/dbraw/zinc/00/17/56/503001756.db2.gz KVSJRXCOWJONAZ-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000513690589 503001761 /nfs/dbraw/zinc/00/17/61/503001761.db2.gz KVSJRXCOWJONAZ-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000513690589 503001765 /nfs/dbraw/zinc/00/17/65/503001765.db2.gz KVSJRXCOWJONAZ-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO O[C@@H](CNCC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000501447463 503011512 /nfs/dbraw/zinc/01/15/12/503011512.db2.gz JJJUZLIYXMEUHP-FQEVSTJZSA-N 1 3 360.448 3.143 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535667 503032200 /nfs/dbraw/zinc/03/22/00/503032200.db2.gz XARAPVSAAMPLCW-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535667 503032204 /nfs/dbraw/zinc/03/22/04/503032204.db2.gz XARAPVSAAMPLCW-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861511 503051252 /nfs/dbraw/zinc/05/12/52/503051252.db2.gz OJZZYGKEWVDAKL-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000514053813 503076073 /nfs/dbraw/zinc/07/60/73/503076073.db2.gz BEFDBDNEAQWWSX-NJYVYQBISA-N 1 3 370.541 3.058 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCC2)cc1 ZINC000514053813 503076078 /nfs/dbraw/zinc/07/60/78/503076078.db2.gz BEFDBDNEAQWWSX-NJYVYQBISA-N 1 3 370.541 3.058 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000506267035 503082366 /nfs/dbraw/zinc/08/23/66/503082366.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 1 3 357.542 3.422 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000506267035 503082372 /nfs/dbraw/zinc/08/23/72/503082372.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 1 3 357.542 3.422 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336829 503094363 /nfs/dbraw/zinc/09/43/63/503094363.db2.gz NPKNONXPQKASOR-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336829 503094366 /nfs/dbraw/zinc/09/43/66/503094366.db2.gz NPKNONXPQKASOR-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171631 503122363 /nfs/dbraw/zinc/12/23/63/503122363.db2.gz GHZIECOLGFPUAH-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155660 /nfs/dbraw/zinc/15/56/60/503155660.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155663 /nfs/dbraw/zinc/15/56/63/503155663.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000507090687 503228439 /nfs/dbraw/zinc/22/84/39/503228439.db2.gz VDLTYOKUNBODFZ-UXHICEINSA-N 1 3 360.546 3.061 20 0 FGADHO C[C@@H]1CN(CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491020163 503261932 /nfs/dbraw/zinc/26/19/32/503261932.db2.gz NBHRIFJIGSBZDV-KNQAVFIVSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491020163 503261934 /nfs/dbraw/zinc/26/19/34/503261934.db2.gz NBHRIFJIGSBZDV-KNQAVFIVSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000491020163 503261936 /nfs/dbraw/zinc/26/19/36/503261936.db2.gz NBHRIFJIGSBZDV-KNQAVFIVSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000491101986 503273245 /nfs/dbraw/zinc/27/32/45/503273245.db2.gz KJLCRLRGYKFCJZ-UEXGIBASSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000491101986 503273249 /nfs/dbraw/zinc/27/32/49/503273249.db2.gz KJLCRLRGYKFCJZ-UEXGIBASSA-N 1 3 372.557 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000507388400 503291781 /nfs/dbraw/zinc/29/17/81/503291781.db2.gz FWMMIAQXOBOFDK-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000507388400 503291785 /nfs/dbraw/zinc/29/17/85/503291785.db2.gz FWMMIAQXOBOFDK-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)(CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000502874995 503296128 /nfs/dbraw/zinc/29/61/28/503296128.db2.gz HKERIHDKCPHWAB-FQEVSTJZSA-N 1 3 357.542 3.279 20 0 FGADHO CC(C)(CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000502874995 503296133 /nfs/dbraw/zinc/29/61/33/503296133.db2.gz HKERIHDKCPHWAB-FQEVSTJZSA-N 1 3 357.542 3.279 20 0 FGADHO COc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000511754922 503381001 /nfs/dbraw/zinc/38/10/01/503381001.db2.gz KMWOBTGUFSEJLX-UHFFFAOYSA-N 1 3 353.304 3.422 20 0 FGADHO CN1CCC(Oc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000511860599 503402140 /nfs/dbraw/zinc/40/21/40/503402140.db2.gz DBNMRBMDDBLSJX-LJQANCHMSA-N 1 3 373.541 3.040 20 0 FGADHO CN1CCC(Oc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000511860599 503402144 /nfs/dbraw/zinc/40/21/44/503402144.db2.gz DBNMRBMDDBLSJX-LJQANCHMSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@H](CNC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048596 503437102 /nfs/dbraw/zinc/43/71/02/503437102.db2.gz JYXQYACBBZHAEI-HLIPFELVSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000516048596 503437105 /nfs/dbraw/zinc/43/71/05/503437105.db2.gz JYXQYACBBZHAEI-HLIPFELVSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000493694972 503440608 /nfs/dbraw/zinc/44/06/08/503440608.db2.gz ZLQGPLYMXKJFNM-XXBNENTESA-N 1 3 371.569 3.130 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCN3CCC2CC3)c1 ZINC000499732131 503469624 /nfs/dbraw/zinc/46/96/24/503469624.db2.gz LIUHRLBIYMAYTK-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCN3CCC2CC3)c1 ZINC000499732131 503469627 /nfs/dbraw/zinc/46/96/27/503469627.db2.gz LIUHRLBIYMAYTK-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CCCN1CCN(c2ccccc2CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000516215160 503472636 /nfs/dbraw/zinc/47/26/36/503472636.db2.gz IKKJTMUVXUXKGS-RBBKRZOGSA-N 1 3 370.585 3.277 20 0 FGADHO Cn1c(CNCC2(C)CC[NH+](C)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000503947749 503495934 /nfs/dbraw/zinc/49/59/34/503495934.db2.gz UWJYYGHOKZVUQS-UHFFFAOYSA-N 1 3 354.420 3.414 20 0 FGADHO Cc1nc2ccc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2s1 ZINC000494190639 503500702 /nfs/dbraw/zinc/50/07/02/503500702.db2.gz CMFDYIOXEWXMCP-LJQANCHMSA-N 1 3 367.518 3.461 20 0 FGADHO Cc1nc2ccc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2s1 ZINC000494190639 503500705 /nfs/dbraw/zinc/50/07/05/503500705.db2.gz CMFDYIOXEWXMCP-LJQANCHMSA-N 1 3 367.518 3.461 20 0 FGADHO Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000582706960 506375919 /nfs/dbraw/zinc/37/59/19/506375919.db2.gz VZPVGYVWHPUGQG-MBDNFAEBSA-N 1 3 374.500 3.140 20 0 FGADHO C[C@@H](NCc1ccc2cnn(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000516522209 503526976 /nfs/dbraw/zinc/52/69/76/503526976.db2.gz GEKINZZDYJFYLA-MRXNPFEDSA-N 1 3 352.482 3.365 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](c2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000516559060 503536243 /nfs/dbraw/zinc/53/62/43/503536243.db2.gz RLCPMDLDMXRPQX-YFVAEKQCSA-N 1 3 360.546 3.099 20 0 FGADHO Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508693738 503544430 /nfs/dbraw/zinc/54/44/30/503544430.db2.gz BJQXSLDCWAVDJZ-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693738 503544433 /nfs/dbraw/zinc/54/44/33/503544433.db2.gz BJQXSLDCWAVDJZ-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693738 503544435 /nfs/dbraw/zinc/54/44/35/503544435.db2.gz BJQXSLDCWAVDJZ-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)CCN2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430983 503549117 /nfs/dbraw/zinc/54/91/17/503549117.db2.gz WIJKFYZVFNEYTI-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)CCN2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430983 503549119 /nfs/dbraw/zinc/54/91/19/503549119.db2.gz WIJKFYZVFNEYTI-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508715640 503549949 /nfs/dbraw/zinc/54/99/49/503549949.db2.gz JIEJFGYJFBSSFH-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715640 503549952 /nfs/dbraw/zinc/54/99/52/503549952.db2.gz JIEJFGYJFBSSFH-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715640 503549955 /nfs/dbraw/zinc/54/99/55/503549955.db2.gz JIEJFGYJFBSSFH-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508867943 503583275 /nfs/dbraw/zinc/58/32/75/503583275.db2.gz UNRFSJZYFNXBCV-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N(C)C ZINC000508869451 503583603 /nfs/dbraw/zinc/58/36/03/503583603.db2.gz ICXBZRJUQHILGW-ZJOUEHCJSA-N 1 3 372.557 3.256 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592841 /nfs/dbraw/zinc/59/28/41/503592841.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 1 3 373.585 3.189 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592843 /nfs/dbraw/zinc/59/28/43/503592843.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 1 3 373.585 3.189 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N(C)C ZINC000508903528 503596186 /nfs/dbraw/zinc/59/61/86/503596186.db2.gz YDGZWBFEGBKEGF-ZSXPUABSSA-N 1 3 372.557 3.254 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512642490 503601715 /nfs/dbraw/zinc/60/17/15/503601715.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 1 3 353.554 3.359 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653204 503604301 /nfs/dbraw/zinc/60/43/01/503604301.db2.gz DEORUCWNVZYMNV-GBESFXJTSA-N 1 3 369.475 3.371 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653204 503604303 /nfs/dbraw/zinc/60/43/03/503604303.db2.gz DEORUCWNVZYMNV-GBESFXJTSA-N 1 3 369.475 3.371 20 0 FGADHO CN(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653204 503604305 /nfs/dbraw/zinc/60/43/05/503604305.db2.gz DEORUCWNVZYMNV-GBESFXJTSA-N 1 3 369.475 3.371 20 0 FGADHO c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512670799 503608849 /nfs/dbraw/zinc/60/88/49/503608849.db2.gz BHWDUBYMJNSLDZ-HBMCJLEFSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512670799 503608850 /nfs/dbraw/zinc/60/88/50/503608850.db2.gz BHWDUBYMJNSLDZ-HBMCJLEFSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512670799 503608851 /nfs/dbraw/zinc/60/88/51/503608851.db2.gz BHWDUBYMJNSLDZ-HBMCJLEFSA-N 1 3 365.525 3.046 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000500393118 503613434 /nfs/dbraw/zinc/61/34/34/503613434.db2.gz LAYZIOTWGUWPDU-OAQYLSRUSA-N 1 3 373.541 3.069 20 0 FGADHO CCC[N@H+](C)[C@H](CNC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627086 /nfs/dbraw/zinc/62/70/86/503627086.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 1 3 366.937 3.070 20 0 FGADHO CCC[N@@H+](C)[C@H](CNC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627092 /nfs/dbraw/zinc/62/70/92/503627092.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 1 3 366.937 3.070 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000527113997 503684959 /nfs/dbraw/zinc/68/49/59/503684959.db2.gz XIRJQMOOSLFONW-HXUWFJFHSA-N 1 3 366.509 3.036 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000540137808 503685911 /nfs/dbraw/zinc/68/59/11/503685911.db2.gz RDPOVVOIZXUWED-UGKGYDQZSA-N 1 3 374.573 3.025 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727774 /nfs/dbraw/zinc/72/77/74/503727774.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727778 /nfs/dbraw/zinc/72/77/78/503727778.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 1 3 364.578 3.013 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000530026424 503800360 /nfs/dbraw/zinc/80/03/60/503800360.db2.gz UCLXBPQHIYHDGJ-HXUWFJFHSA-N 1 3 373.541 3.154 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000517769880 503833008 /nfs/dbraw/zinc/83/30/08/503833008.db2.gz WEDZFRLXKGBEPZ-KRWDZBQOSA-N 1 3 360.546 3.147 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc2ccccc2c1 ZINC000540629024 503838346 /nfs/dbraw/zinc/83/83/46/503838346.db2.gz ROELKECUCUNRHN-UHFFFAOYSA-N 1 3 355.526 3.114 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000543667771 503846241 /nfs/dbraw/zinc/84/62/41/503846241.db2.gz JXXSQPUEEPXTOI-GOSISDBHSA-N 1 3 366.594 3.116 20 0 FGADHO CN(CCC[NH+](C)C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000543673367 503848422 /nfs/dbraw/zinc/84/84/22/503848422.db2.gz BLGVBZYXPARZPP-FQEVSTJZSA-N 1 3 374.573 3.053 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN(C)c2ccncc2)CC1 ZINC000543713127 503862387 /nfs/dbraw/zinc/86/23/87/503862387.db2.gz GZAYSSPJMVRKHL-GOSISDBHSA-N 1 3 366.509 3.250 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCN1C1CCCC1 ZINC000527658180 503880975 /nfs/dbraw/zinc/88/09/75/503880975.db2.gz FRXTWRUJSKRWTD-NRFANRHFSA-N 1 3 370.541 3.099 20 0 FGADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000533548880 503886069 /nfs/dbraw/zinc/88/60/69/503886069.db2.gz ASUKOLNPHRSTDS-ZWKOTPCHSA-N 1 3 369.509 3.059 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530238796 503888394 /nfs/dbraw/zinc/88/83/94/503888394.db2.gz CGNSNPSJWLDEIY-IBGZPJMESA-N 1 3 355.482 3.241 20 0 FGADHO Clc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530241232 503889375 /nfs/dbraw/zinc/88/93/75/503889375.db2.gz OLIDPGGKYJDTOC-QGZVFWFLSA-N 1 3 359.901 3.479 20 0 FGADHO Clc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530241231 503889867 /nfs/dbraw/zinc/88/98/67/503889867.db2.gz OLIDPGGKYJDTOC-KRWDZBQOSA-N 1 3 359.901 3.479 20 0 FGADHO FC(F)(F)c1ccccc1OCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243758 503892415 /nfs/dbraw/zinc/89/24/15/503892415.db2.gz YLOMGYDNOHDVNG-MRXNPFEDSA-N 1 3 372.431 3.175 20 0 FGADHO CCc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540788149 503893275 /nfs/dbraw/zinc/89/32/75/503893275.db2.gz YVVRDDCEIFPNMM-AVRDEDQJSA-N 1 3 367.537 3.189 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000518098396 503908660 /nfs/dbraw/zinc/90/86/60/503908660.db2.gz DUPPCRCNPSCZHL-LJQANCHMSA-N 1 3 374.529 3.109 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@]12CCCO2 ZINC000546871582 503910755 /nfs/dbraw/zinc/91/07/55/503910755.db2.gz AQDUGCVQOPKHJB-UMSONDCASA-N 1 3 362.514 3.004 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000518271000 503941360 /nfs/dbraw/zinc/94/13/60/503941360.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000518271000 503941362 /nfs/dbraw/zinc/94/13/62/503941362.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 1 3 366.575 3.159 20 0 FGADHO C[NH+](C)CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000518428463 503981796 /nfs/dbraw/zinc/98/17/96/503981796.db2.gz SNBQSBQBPATXKG-FQEVSTJZSA-N 1 3 372.557 3.017 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000518452509 503989605 /nfs/dbraw/zinc/98/96/05/503989605.db2.gz ATCGNONNTZQESQ-SFHVURJKSA-N 1 3 374.573 3.448 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000518452509 503989610 /nfs/dbraw/zinc/98/96/10/503989610.db2.gz ATCGNONNTZQESQ-SFHVURJKSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000541155301 504024180 /nfs/dbraw/zinc/02/41/80/504024180.db2.gz BGWNVNKYAXURGG-SQNIBIBYSA-N 1 3 358.530 3.363 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669714 504039519 /nfs/dbraw/zinc/03/95/19/504039519.db2.gz KTSLNUNBUPBWIF-NRFANRHFSA-N 1 3 372.557 3.204 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)N1CCCC1 ZINC000528016724 504041772 /nfs/dbraw/zinc/04/17/72/504041772.db2.gz UTXADYRAPZVRMQ-QHAWAJNXSA-N 1 3 369.553 3.135 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043557 /nfs/dbraw/zinc/04/35/57/504043557.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 1 3 369.303 3.482 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043562 /nfs/dbraw/zinc/04/35/62/504043562.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 1 3 369.303 3.482 20 0 FGADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000544303737 504079783 /nfs/dbraw/zinc/07/97/83/504079783.db2.gz SCKOXEDPRNAKGZ-OALUTQOASA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534332161 504113739 /nfs/dbraw/zinc/11/37/39/504113739.db2.gz URPLWQCMLAFTRJ-UHFFFAOYSA-N 1 3 359.493 3.350 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534332161 504113743 /nfs/dbraw/zinc/11/37/43/504113743.db2.gz URPLWQCMLAFTRJ-UHFFFAOYSA-N 1 3 359.493 3.350 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000530879882 504118293 /nfs/dbraw/zinc/11/82/93/504118293.db2.gz AFPGQWDOJOPEKB-CABCVRRESA-N 1 3 372.340 3.049 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000544408955 504122540 /nfs/dbraw/zinc/12/25/40/504122540.db2.gz QQDODWISTUDABO-KRWDZBQOSA-N 1 3 354.922 3.193 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000544408955 504122546 /nfs/dbraw/zinc/12/25/46/504122546.db2.gz QQDODWISTUDABO-KRWDZBQOSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000519381314 504207976 /nfs/dbraw/zinc/20/79/76/504207976.db2.gz WXWUDGWFLFVUTG-QYZOEREBSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000519381314 504207983 /nfs/dbraw/zinc/20/79/83/504207983.db2.gz WXWUDGWFLFVUTG-QYZOEREBSA-N 1 3 352.567 3.203 20 0 FGADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000519528779 504241005 /nfs/dbraw/zinc/24/10/05/504241005.db2.gz JXUZSOWGCOWWBF-UHFFFAOYSA-N 1 3 358.530 3.499 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000541786732 504255143 /nfs/dbraw/zinc/25/51/43/504255143.db2.gz DYHVOFHQLSPFCO-RXVVDRJESA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000531322892 504265852 /nfs/dbraw/zinc/26/58/52/504265852.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000531322892 504265859 /nfs/dbraw/zinc/26/58/59/504265859.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000548189461 504364430 /nfs/dbraw/zinc/36/44/30/504364430.db2.gz UTVWVYYCSLXDMC-LJQANCHMSA-N 1 3 374.573 3.022 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141778 504378774 /nfs/dbraw/zinc/37/87/74/504378774.db2.gz SYIRDCNZZGCPJJ-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141778 504378776 /nfs/dbraw/zinc/37/87/76/504378776.db2.gz SYIRDCNZZGCPJJ-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141778 504378780 /nfs/dbraw/zinc/37/87/80/504378780.db2.gz SYIRDCNZZGCPJJ-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO C[C@H]1CCC[C@@](CNC(=O)N2CCCN(C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192372 504431385 /nfs/dbraw/zinc/43/13/85/504431385.db2.gz OYCSAFZQFJMLJG-FXAWDEMLSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050359 504457433 /nfs/dbraw/zinc/45/74/33/504457433.db2.gz IKEQGOUJXVPCMV-VGOFRKELSA-N 1 3 353.510 3.464 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000531953501 504485241 /nfs/dbraw/zinc/48/52/41/504485241.db2.gz MUFOFJLGHOIDGW-DYXWJJEUSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000531953501 504485248 /nfs/dbraw/zinc/48/52/48/504485248.db2.gz MUFOFJLGHOIDGW-DYXWJJEUSA-N 1 3 359.558 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531983914 504494646 /nfs/dbraw/zinc/49/46/46/504494646.db2.gz MHFDNTVTDPZNJY-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531983914 504494650 /nfs/dbraw/zinc/49/46/50/504494650.db2.gz MHFDNTVTDPZNJY-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000539494969 504588578 /nfs/dbraw/zinc/58/85/78/504588578.db2.gz ATJZGMWAYALKJA-BHDDXSALSA-N 1 3 369.553 3.136 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300278 504602966 /nfs/dbraw/zinc/60/29/66/504602966.db2.gz LTIGFMKALVYZHD-IBGZPJMESA-N 1 3 367.537 3.478 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C(C)(C)C2)CC1 ZINC000520902275 504607372 /nfs/dbraw/zinc/60/73/72/504607372.db2.gz XGVJRAUQBSPZCV-IBGZPJMESA-N 1 3 371.569 3.444 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633782 /nfs/dbraw/zinc/63/37/82/504633782.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633785 /nfs/dbraw/zinc/63/37/85/504633785.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 1 3 372.557 3.099 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976732 504642744 /nfs/dbraw/zinc/64/27/44/504642744.db2.gz FCOXQBSISLUDNK-RTBURBONSA-N 1 3 370.541 3.375 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000565061291 504784889 /nfs/dbraw/zinc/78/48/89/504784889.db2.gz AMDXMOMHRBBXAC-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549448099 504824805 /nfs/dbraw/zinc/82/48/05/504824805.db2.gz FGQRYNGAJMMQSB-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000556239026 504826102 /nfs/dbraw/zinc/82/61/02/504826102.db2.gz ATPPUWWIMWHZJR-KKSFZXQISA-N 1 3 373.516 3.342 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729980 504883296 /nfs/dbraw/zinc/88/32/96/504883296.db2.gz YAUXTMSUFXPDFZ-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729980 504883300 /nfs/dbraw/zinc/88/33/00/504883300.db2.gz YAUXTMSUFXPDFZ-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO C[NH+](C)Cc1ccc(CNC[C@H](O)COc2cccc3ccccc32)cc1 ZINC000559731090 504917221 /nfs/dbraw/zinc/91/72/21/504917221.db2.gz VHYNLEKHVVGRTR-NRFANRHFSA-N 1 3 364.489 3.431 20 0 FGADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000562878776 504974135 /nfs/dbraw/zinc/97/41/35/504974135.db2.gz ZZUBUVQAHTUPPP-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000562878776 504974138 /nfs/dbraw/zinc/97/41/38/504974138.db2.gz ZZUBUVQAHTUPPP-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC000556870585 505001413 /nfs/dbraw/zinc/00/14/13/505001413.db2.gz GRHGWPKYRNRHIM-ZRBLBEILSA-N 1 3 371.569 3.370 20 0 FGADHO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556884071 505005852 /nfs/dbraw/zinc/00/58/52/505005852.db2.gz PIZLLRBUUAFKHK-NJDAHSKKSA-N 1 3 367.541 3.121 20 0 FGADHO C[C@H](NCCC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000562997174 505014017 /nfs/dbraw/zinc/01/40/17/505014017.db2.gz WBVOZUCFRFHJTQ-ZDUSSCGKSA-N 1 3 370.335 3.344 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000563003969 505016824 /nfs/dbraw/zinc/01/68/24/505016824.db2.gz ZAPRWCOXGUQGIG-INIZCTEOSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199086 505074372 /nfs/dbraw/zinc/07/43/72/505074372.db2.gz RHZRFKBCLAKIBZ-ZWKOTPCHSA-N 1 3 357.542 3.079 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109018 505083922 /nfs/dbraw/zinc/08/39/22/505083922.db2.gz JWMLNTRRFSVLQH-IBGZPJMESA-N 1 3 367.493 3.149 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109018 505083926 /nfs/dbraw/zinc/08/39/26/505083926.db2.gz JWMLNTRRFSVLQH-IBGZPJMESA-N 1 3 367.493 3.149 20 0 FGADHO COc1ccc([C@H](Cc2ccncc2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560513956 505109637 /nfs/dbraw/zinc/10/96/37/505109637.db2.gz OAKXWOFXFMHRNH-GCJKJVERSA-N 1 3 351.494 3.448 20 0 FGADHO COc1ccc([C@H](Cc2ccncc2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560513956 505109639 /nfs/dbraw/zinc/10/96/39/505109639.db2.gz OAKXWOFXFMHRNH-GCJKJVERSA-N 1 3 351.494 3.448 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000557338848 505110888 /nfs/dbraw/zinc/11/08/88/505110888.db2.gz GBXFSFYQBPJCEW-CTNGQTDRSA-N 1 3 355.482 3.368 20 0 FGADHO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521588 505112814 /nfs/dbraw/zinc/11/28/14/505112814.db2.gz VZKCIKQXCAQOAT-RYTOZCKSSA-N 1 3 369.553 3.311 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563350672 505117187 /nfs/dbraw/zinc/11/71/87/505117187.db2.gz PJKURYLDIHJTJR-ZCNNSNEGSA-N 1 3 371.912 3.022 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481312 505187190 /nfs/dbraw/zinc/18/71/90/505187190.db2.gz GYGVOVZRJBKFBR-IXDOHACOSA-N 1 3 369.431 3.056 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607651 505191656 /nfs/dbraw/zinc/19/16/56/505191656.db2.gz CABFWGIYCKSAIT-MOPGFXCFSA-N 1 3 374.916 3.448 20 0 FGADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000563804542 505243522 /nfs/dbraw/zinc/24/35/22/505243522.db2.gz YSNBVKZYIRVQGK-MTQWCTHYSA-N 1 3 356.514 3.193 20 0 FGADHO COc1ncc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529067 505245289 /nfs/dbraw/zinc/24/52/89/505245289.db2.gz AOQQDHOEPMTZNX-QLFBSQMISA-N 1 3 355.910 3.284 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881274 505265657 /nfs/dbraw/zinc/26/56/57/505265657.db2.gz FDPWHKLUVVXKDJ-HNAYVOBHSA-N 1 3 358.511 3.144 20 0 FGADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881274 505265660 /nfs/dbraw/zinc/26/56/60/505265660.db2.gz FDPWHKLUVVXKDJ-HNAYVOBHSA-N 1 3 358.511 3.144 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080295 505320036 /nfs/dbraw/zinc/32/00/36/505320036.db2.gz CFGAAOFGZIRWRW-KRWDZBQOSA-N 1 3 366.509 3.096 20 0 FGADHO CC[C@@H](NCc1cncc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168747 505343715 /nfs/dbraw/zinc/34/37/15/505343715.db2.gz QVXHLEVGJADCFH-FXELSEDVSA-N 1 3 361.530 3.176 20 0 FGADHO CC[C@@H]([NH2+]Cc1cncc(CN[C@@H](CC)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168747 505343719 /nfs/dbraw/zinc/34/37/19/505343719.db2.gz QVXHLEVGJADCFH-FXELSEDVSA-N 1 3 361.530 3.176 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000567058944 505352000 /nfs/dbraw/zinc/35/20/00/505352000.db2.gz JNNRMMUCIDMYKU-JOCHJYFZSA-N 1 3 365.521 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)N(C)C ZINC000558380526 505371810 /nfs/dbraw/zinc/37/18/10/505371810.db2.gz JMOGXEIMGMYWBB-XLIONFOSSA-N 1 3 360.546 3.158 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1C ZINC000564298700 505376240 /nfs/dbraw/zinc/37/62/40/505376240.db2.gz NBKGLWKKKBVZFP-KRWDZBQOSA-N 1 3 369.509 3.476 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1C ZINC000564298700 505376242 /nfs/dbraw/zinc/37/62/42/505376242.db2.gz NBKGLWKKKBVZFP-KRWDZBQOSA-N 1 3 369.509 3.476 20 0 FGADHO CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065483 505387963 /nfs/dbraw/zinc/38/79/63/505387963.db2.gz BKUQJLUPQXRJPI-CBPXPLCBSA-N 1 3 358.526 3.072 20 0 FGADHO CCc1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000552080281 505393642 /nfs/dbraw/zinc/39/36/42/505393642.db2.gz ZKJUWFTWQBMOKU-UHFFFAOYSA-N 1 3 364.603 3.334 20 0 FGADHO Cc1cccc2ncc(CN3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n21 ZINC000552091503 505396359 /nfs/dbraw/zinc/39/63/59/505396359.db2.gz PAYWVPUXOIUTMR-RTBURBONSA-N 1 3 370.541 3.354 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000561727354 505419356 /nfs/dbraw/zinc/41/93/56/505419356.db2.gz UAJZVTFPBIPKFU-OLMMMNRUSA-N 1 3 363.571 3.389 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000561727354 505419362 /nfs/dbraw/zinc/41/93/62/505419362.db2.gz UAJZVTFPBIPKFU-OLMMMNRUSA-N 1 3 363.571 3.389 20 0 FGADHO C[NH+](C)CCCCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000552369726 505475244 /nfs/dbraw/zinc/47/52/44/505475244.db2.gz BXGDKZQZVKZUAD-FQEVSTJZSA-N 1 3 359.558 3.308 20 0 FGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])s2)cs1 ZINC000564791831 505520920 /nfs/dbraw/zinc/52/09/20/505520920.db2.gz OCMAZKADUWPLKC-KCPJHIHWSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)s2)cs1 ZINC000564791831 505520924 /nfs/dbraw/zinc/52/09/24/505520924.db2.gz OCMAZKADUWPLKC-KCPJHIHWSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000564793381 505521789 /nfs/dbraw/zinc/52/17/89/505521789.db2.gz GEIRESNIVJEHBA-XLIONFOSSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564793381 505521793 /nfs/dbraw/zinc/52/17/93/505521793.db2.gz GEIRESNIVJEHBA-XLIONFOSSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000564793381 505521798 /nfs/dbraw/zinc/52/17/98/505521798.db2.gz GEIRESNIVJEHBA-XLIONFOSSA-N 1 3 360.542 3.106 20 0 FGADHO COc1cccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1OC ZINC000567641632 505522215 /nfs/dbraw/zinc/52/22/15/505522215.db2.gz YWUKOXMZDIPVOM-AVRDEDQJSA-N 1 3 368.477 3.092 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccc(Cl)cc1 ZINC000567680075 505533929 /nfs/dbraw/zinc/53/39/29/505533929.db2.gz OQEVWDSCFIFEKI-FQEVSTJZSA-N 1 3 374.912 3.465 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564973357 505564668 /nfs/dbraw/zinc/56/46/68/505564668.db2.gz BPVLAONPIJOLPP-OAHLLOKOSA-N 1 3 372.465 3.050 20 0 FGADHO C[C@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000582727860 506386320 /nfs/dbraw/zinc/38/63/20/506386320.db2.gz QGMKSKJEPXXQIC-UYAOXDASSA-N 1 3 372.557 3.172 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1C ZINC000589168605 506467218 /nfs/dbraw/zinc/46/72/18/506467218.db2.gz GAXRFSXODPYZET-QGZVFWFLSA-N 1 3 369.509 3.333 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1C ZINC000589168605 506467225 /nfs/dbraw/zinc/46/72/25/506467225.db2.gz GAXRFSXODPYZET-QGZVFWFLSA-N 1 3 369.509 3.333 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000593353287 506566666 /nfs/dbraw/zinc/56/66/66/506566666.db2.gz STKDGGOGQFBDIP-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000603593727 506569213 /nfs/dbraw/zinc/56/92/13/506569213.db2.gz XQNYUYYADBNWNN-MJGOQNOKSA-N 1 3 358.530 3.043 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317082 506713551 /nfs/dbraw/zinc/71/35/51/506713551.db2.gz PHNAJNUKHHTGMK-IEBWSBKVSA-N 1 3 363.505 3.229 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317082 506713555 /nfs/dbraw/zinc/71/35/55/506713555.db2.gz PHNAJNUKHHTGMK-IEBWSBKVSA-N 1 3 363.505 3.229 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171438 506734935 /nfs/dbraw/zinc/73/49/35/506734935.db2.gz KWQFAVUUQZGZJW-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171438 506734938 /nfs/dbraw/zinc/73/49/38/506734938.db2.gz KWQFAVUUQZGZJW-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184570 506740724 /nfs/dbraw/zinc/74/07/24/506740724.db2.gz XSBVKBVDOZYUBN-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184570 506740731 /nfs/dbraw/zinc/74/07/31/506740731.db2.gz XSBVKBVDOZYUBN-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025806 506749659 /nfs/dbraw/zinc/74/96/59/506749659.db2.gz AIUCBPLRNHGEAS-COPCDDAFSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025806 506749662 /nfs/dbraw/zinc/74/96/62/506749662.db2.gz AIUCBPLRNHGEAS-COPCDDAFSA-N 1 3 369.553 3.073 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604203716 506750593 /nfs/dbraw/zinc/75/05/93/506750593.db2.gz BQWBGQOHJRBOKA-SFTDATJTSA-N 1 3 372.557 3.386 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CCCN(C(C)C)CC1)[NH+]1CCCC1 ZINC000590154376 506751030 /nfs/dbraw/zinc/75/10/30/506751030.db2.gz FDIBJEKKMVHWME-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C3CCC3)C3CCC3)CC2)CC1 ZINC000583390187 506753236 /nfs/dbraw/zinc/75/32/36/506753236.db2.gz HYSNMFIQGVYRHW-UHFFFAOYSA-N 1 3 361.574 3.268 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867606 /nfs/dbraw/zinc/86/76/06/506867606.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867614 /nfs/dbraw/zinc/86/76/14/506867614.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 1 3 374.573 3.317 20 0 FGADHO CC1CCC(N2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)CC1 ZINC000604786510 506943022 /nfs/dbraw/zinc/94/30/22/506943022.db2.gz KZRYCMOKZLUFSM-ACBHZAAOSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)Cc1ccccc1 ZINC000604784935 506943293 /nfs/dbraw/zinc/94/32/93/506943293.db2.gz HTRIHBKJLMCYFF-HKUYNNGSSA-N 1 3 362.562 3.173 20 0 FGADHO C[C@@H](CC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000600738369 507092094 /nfs/dbraw/zinc/09/20/94/507092094.db2.gz ZLAZMONNJCXZQQ-XPQZIERPSA-N 1 3 368.562 3.104 20 0 FGADHO C[C@@H](CCNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000600738369 507092102 /nfs/dbraw/zinc/09/21/02/507092102.db2.gz ZLAZMONNJCXZQQ-XPQZIERPSA-N 1 3 368.562 3.104 20 0 FGADHO COc1cccc(OC)c1OCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000584017476 507104442 /nfs/dbraw/zinc/10/44/42/507104442.db2.gz ULZFDEPINGJVQT-SFHVURJKSA-N 1 3 362.514 3.281 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000584017476 507104449 /nfs/dbraw/zinc/10/44/49/507104449.db2.gz ULZFDEPINGJVQT-SFHVURJKSA-N 1 3 362.514 3.281 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000584017476 507104458 /nfs/dbraw/zinc/10/44/58/507104458.db2.gz ULZFDEPINGJVQT-SFHVURJKSA-N 1 3 362.514 3.281 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491387 507117418 /nfs/dbraw/zinc/11/74/18/507117418.db2.gz PLWVZYREPWRNDM-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491387 507117423 /nfs/dbraw/zinc/11/74/23/507117423.db2.gz PLWVZYREPWRNDM-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)cc1 ZINC000584353781 507298997 /nfs/dbraw/zinc/29/89/97/507298997.db2.gz PBINMIADUJILEY-QGZVFWFLSA-N 1 3 366.509 3.480 20 0 FGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579953 507301602 /nfs/dbraw/zinc/30/16/02/507301602.db2.gz AXRDUHPZAWQCCI-YGRLFVJLSA-N 1 3 374.241 3.223 20 0 FGADHO CC[C@@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000602127396 507601230 /nfs/dbraw/zinc/60/12/30/507601230.db2.gz NBAKWDGGDUOPJC-SFTDATJTSA-N 1 3 359.558 3.130 20 0 FGADHO CC[C@@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000602127396 507601233 /nfs/dbraw/zinc/60/12/33/507601233.db2.gz NBAKWDGGDUOPJC-SFTDATJTSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000607180525 507646509 /nfs/dbraw/zinc/64/65/09/507646509.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000607180525 507646512 /nfs/dbraw/zinc/64/65/12/507646512.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000515346980 517311021 /nfs/dbraw/zinc/31/10/21/517311021.db2.gz KHJVDPOBUPSKPZ-INIZCTEOSA-N 1 3 370.497 3.476 20 0 FGADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000515346980 517311033 /nfs/dbraw/zinc/31/10/33/517311033.db2.gz KHJVDPOBUPSKPZ-INIZCTEOSA-N 1 3 370.497 3.476 20 0 FGADHO c1ccc2nc(NCCN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225891 517657239 /nfs/dbraw/zinc/65/72/39/517657239.db2.gz HMEMNGQTCXHWIK-NFBKMPQASA-N 1 3 374.488 3.492 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825413061 608495032 /nfs/dbraw/zinc/49/50/32/608495032.db2.gz WZIWYLSVWSPLFF-KXBFYZLASA-N 1 3 356.518 3.344 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825413061 608495034 /nfs/dbraw/zinc/49/50/34/608495034.db2.gz WZIWYLSVWSPLFF-KXBFYZLASA-N 1 3 356.518 3.344 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000122223223 700686109 /nfs/dbraw/zinc/68/61/09/700686109.db2.gz KWOXYTADVBTNDO-HXUWFJFHSA-N 1 3 368.949 3.444 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000122223223 700686111 /nfs/dbraw/zinc/68/61/11/700686111.db2.gz KWOXYTADVBTNDO-HXUWFJFHSA-N 1 3 368.949 3.444 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000182723650 705858282 /nfs/dbraw/zinc/85/82/82/705858282.db2.gz DKWGYIAMXCFBKL-QZTJIDSGSA-N 1 3 353.551 3.488 20 0 FGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000641805853 717930894 /nfs/dbraw/zinc/93/08/94/717930894.db2.gz OWSZCINGWVJHGX-ZIFCJYIRSA-N 1 3 357.523 3.059 20 0 FGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457572 713982128 /nfs/dbraw/zinc/98/21/28/713982128.db2.gz ZINOEYSWLKWZAW-ZWKOTPCHSA-N 1 3 353.551 3.391 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561486 713985377 /nfs/dbraw/zinc/98/53/77/713985377.db2.gz JFBXWUNDEMNZHH-OKZBNKHCSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561486 713985379 /nfs/dbraw/zinc/98/53/79/713985379.db2.gz JFBXWUNDEMNZHH-OKZBNKHCSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561486 713985381 /nfs/dbraw/zinc/98/53/81/713985381.db2.gz JFBXWUNDEMNZHH-OKZBNKHCSA-N 1 3 353.551 3.484 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414927970 714005736 /nfs/dbraw/zinc/00/57/36/714005736.db2.gz PQPOXGWTENHRRY-ZLDLUXBVSA-N 1 3 354.292 3.026 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926572 714005926 /nfs/dbraw/zinc/00/59/26/714005926.db2.gz NNQLHWUAIQETRH-OSAQELSMSA-N 1 3 354.292 3.026 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)CC1CCCCC1)C(C)C ZINC000523457482 714235684 /nfs/dbraw/zinc/23/56/84/714235684.db2.gz QTXABYBGAUMYED-UHFFFAOYSA-N 1 3 354.583 3.259 20 0 FGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCn1ccc2cc(Cl)ccc21 ZINC000577920116 714471127 /nfs/dbraw/zinc/47/11/27/714471127.db2.gz BMMLTEHRQNYOJX-YZGWKJHDSA-N 1 3 361.917 3.478 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000643064124 718003702 /nfs/dbraw/zinc/00/37/02/718003702.db2.gz MBGCEWUTYLAMJZ-PBHICJAKSA-N 1 3 365.905 3.141 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461105 718035003 /nfs/dbraw/zinc/03/50/03/718035003.db2.gz TXBRASQPJONGAZ-GXFFZTMASA-N 1 3 350.816 3.143 20 0 FGADHO C[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392698 715325683 /nfs/dbraw/zinc/32/56/83/715325683.db2.gz NAWCVZFWFIMTIL-HNNXBMFYSA-N 1 3 368.319 3.240 20 0 FGADHO C[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392698 715325691 /nfs/dbraw/zinc/32/56/91/715325691.db2.gz NAWCVZFWFIMTIL-HNNXBMFYSA-N 1 3 368.319 3.240 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396342 715326700 /nfs/dbraw/zinc/32/67/00/715326700.db2.gz PCZRERHOGGFLFH-HOTGVXAUSA-N 1 3 351.922 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396342 715326704 /nfs/dbraw/zinc/32/67/04/715326704.db2.gz PCZRERHOGGFLFH-HOTGVXAUSA-N 1 3 351.922 3.390 20 0 FGADHO Cc1cc(Br)ccc1[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580380 716311017 /nfs/dbraw/zinc/31/10/17/716311017.db2.gz ABYNPRIABRRJIV-DOTOQJQBSA-N 1 3 365.315 3.415 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000638067119 717406291 /nfs/dbraw/zinc/40/62/91/717406291.db2.gz AJWGZWBHLZCTAC-CABCVRRESA-N 1 3 371.428 3.186 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000649684172 718550092 /nfs/dbraw/zinc/55/00/92/718550092.db2.gz HQSJARFJRMIZAL-HZPDHXFCSA-N 1 3 358.404 3.477 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707381 718717405 /nfs/dbraw/zinc/71/74/05/718717405.db2.gz DVZLFYOCROEYFY-JJRVBVJISA-N 1 3 358.404 3.145 20 0 FGADHO Cc1cc(Br)ccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707344 718717459 /nfs/dbraw/zinc/71/74/59/718717459.db2.gz DATKHWKSXLSXLB-RYQLBKOJSA-N 1 3 367.331 3.476 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657307331 719622623 /nfs/dbraw/zinc/62/26/23/719622623.db2.gz ARVMZISALRKNFX-UHFFFAOYSA-N 1 3 358.555 3.236 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657368517 719635026 /nfs/dbraw/zinc/63/50/26/719635026.db2.gz XZWIWNJIPBPOQV-KBPBESRZSA-N 1 3 360.420 3.406 20 0 FGADHO CC[C@H](CC(F)F)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659911005 719955221 /nfs/dbraw/zinc/95/52/21/719955221.db2.gz BACCDLJWCJSQNY-GOSISDBHSA-N 1 3 353.501 3.417 20 0 FGADHO CC[C@H](CC(F)F)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659911005 719955223 /nfs/dbraw/zinc/95/52/23/719955223.db2.gz BACCDLJWCJSQNY-GOSISDBHSA-N 1 3 353.501 3.417 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091048 /nfs/dbraw/zinc/09/10/48/720091048.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 1 3 353.304 3.246 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091050 /nfs/dbraw/zinc/09/10/50/720091050.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 1 3 353.304 3.246 20 0 FGADHO Brc1ccccc1[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258517 720405817 /nfs/dbraw/zinc/40/58/17/720405817.db2.gz JFULEXXAETWTPD-CZUORRHYSA-N 1 3 351.288 3.107 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554753 722415923 /nfs/dbraw/zinc/41/59/23/722415923.db2.gz YCEGUXKHFIMCEH-RYQLBKOJSA-N 1 3 353.551 3.484 20 0 FGADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974647 /nfs/dbraw/zinc/97/46/47/722974647.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974648 /nfs/dbraw/zinc/97/46/48/722974648.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974675 /nfs/dbraw/zinc/97/46/75/722974675.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974676 /nfs/dbraw/zinc/97/46/76/722974676.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156270 723040379 /nfs/dbraw/zinc/04/03/79/723040379.db2.gz JWOVRMFVULQYNB-CHWSQXEVSA-N 1 3 359.345 3.252 20 0 FGADHO Cc1c(CNCCC[N@@H+]2CCCO[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483055 723247360 /nfs/dbraw/zinc/24/73/60/723247360.db2.gz OHQBXYBHVNVNMZ-ZDUSSCGKSA-N 1 3 362.543 3.207 20 0 FGADHO Cc1c(CNCCC[N@H+]2CCCO[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483055 723247363 /nfs/dbraw/zinc/24/73/63/723247363.db2.gz OHQBXYBHVNVNMZ-ZDUSSCGKSA-N 1 3 362.543 3.207 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764469281 723415933 /nfs/dbraw/zinc/41/59/33/723415933.db2.gz OFFNEQUQIJXHFM-MAUKXSAKSA-N 1 3 369.525 3.459 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764469281 723415938 /nfs/dbraw/zinc/41/59/38/723415938.db2.gz OFFNEQUQIJXHFM-MAUKXSAKSA-N 1 3 369.525 3.459 20 0 FGADHO CC[NH+]1CCC(CCNCc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000796315807 723632455 /nfs/dbraw/zinc/63/24/55/723632455.db2.gz NNZAGAOHTIEXAM-UHFFFAOYSA-N 1 3 361.921 3.441 20 0 FGADHO C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000798187885 723912064 /nfs/dbraw/zinc/91/20/64/723912064.db2.gz VFDJZKMTQRRMMW-JUVOFCAFSA-N 1 3 351.535 3.285 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000774991197 723949018 /nfs/dbraw/zinc/94/90/18/723949018.db2.gz XCAJQAIXLCHJQB-HNNXBMFYSA-N 1 3 367.331 3.348 20 0 FGADHO O[C@@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCCC1 ZINC000775872586 724075865 /nfs/dbraw/zinc/07/58/65/724075865.db2.gz VSTBJTUMSVYDPX-DLBZAZTESA-N 1 3 371.294 3.086 20 0 FGADHO C[C@H](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000784671732 724871327 /nfs/dbraw/zinc/87/13/27/724871327.db2.gz UXQQHXYSMBFELX-QGZVFWFLSA-N 1 3 353.551 3.488 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900258 727287518 /nfs/dbraw/zinc/28/75/18/727287518.db2.gz LSNCUOIZYRWXOT-QBPKDAKJSA-N 1 3 358.404 3.129 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000817916976 727287823 /nfs/dbraw/zinc/28/78/23/727287823.db2.gz CAYCUXDNJVXZIE-NMOXLHADSA-N 1 3 351.853 3.414 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929603 727288080 /nfs/dbraw/zinc/28/80/80/727288080.db2.gz IRYOYQPKXHZISM-FJIDUMEYSA-N 1 3 367.331 3.383 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085723 727346027 /nfs/dbraw/zinc/34/60/27/727346027.db2.gz WDHHSVWCEJYLAN-SCLBCKFNSA-N 1 3 373.324 3.117 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134548 727351035 /nfs/dbraw/zinc/35/10/35/727351035.db2.gz IDOGWJOAVVJWIO-CKEIUWERSA-N 1 3 373.310 3.258 20 0 FGADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000823818572 729306683 /nfs/dbraw/zinc/30/66/83/729306683.db2.gz IDKUGTHSHPXXQS-ZWKOTPCHSA-N 1 3 355.567 3.493 20 0 FGADHO C[C@H](CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)N1CCCCC1 ZINC000824153377 729321630 /nfs/dbraw/zinc/32/16/30/729321630.db2.gz JGDQOQWYTRYKTJ-MBOZVWFJSA-N 1 3 351.535 3.098 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000841075633 730207981 /nfs/dbraw/zinc/20/79/81/730207981.db2.gz TVECFNMVPSAALQ-XXQMMXQMSA-N 1 3 366.571 3.488 20 0 FGADHO Ic1ccccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126431 730588931 /nfs/dbraw/zinc/58/89/31/730588931.db2.gz REXLDUKNALCKDN-KBPBESRZSA-N 1 3 370.278 3.113 20 0 FGADHO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364222 730610889 /nfs/dbraw/zinc/61/08/89/730610889.db2.gz SRRUYRXNHWCTQU-ZDUSSCGKSA-N 1 3 355.404 3.108 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108037 731230188 /nfs/dbraw/zinc/23/01/88/731230188.db2.gz VDAMUGVWBCNRDT-CZUORRHYSA-N 1 3 356.436 3.407 20 0 FGADHO CC(C)c1cccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000849276277 731240522 /nfs/dbraw/zinc/24/05/22/731240522.db2.gz GGZBHRPALITTID-INIZCTEOSA-N 1 3 350.576 3.368 20 0 FGADHO CC(C)c1cccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000849276277 731240524 /nfs/dbraw/zinc/24/05/24/731240524.db2.gz GGZBHRPALITTID-INIZCTEOSA-N 1 3 350.576 3.368 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534301 731370216 /nfs/dbraw/zinc/37/02/16/731370216.db2.gz LJASAKXJZBJTKH-AITUJVMLSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534301 731370220 /nfs/dbraw/zinc/37/02/20/731370220.db2.gz LJASAKXJZBJTKH-AITUJVMLSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239511 731686270 /nfs/dbraw/zinc/68/62/70/731686270.db2.gz GYOUEAAGZMEELL-GDBMZVCRSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239511 731686271 /nfs/dbraw/zinc/68/62/71/731686271.db2.gz GYOUEAAGZMEELL-GDBMZVCRSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853239511 731686272 /nfs/dbraw/zinc/68/62/72/731686272.db2.gz GYOUEAAGZMEELL-GDBMZVCRSA-N 1 3 364.921 3.164 20 0 FGADHO CC1CCN(c2ccc(CNCc3cc4c(s3)CC[NH2+]C4)cn2)CC1 ZINC000873212155 735738481 /nfs/dbraw/zinc/73/84/81/735738481.db2.gz IJNPRQISQYKOQG-UHFFFAOYSA-N 1 3 356.539 3.315 20 0 FGADHO CC1(C)CC[C@@H](CNC2CCN(C(=O)c3ccccc3Cl)CC2)[NH2+]C1 ZINC000873234548 735741796 /nfs/dbraw/zinc/74/17/96/735741796.db2.gz GHUAXLXBKMYUCI-INIZCTEOSA-N 1 3 363.933 3.312 20 0 FGADHO FC(F)(F)C(F)(F)OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283607 735746623 /nfs/dbraw/zinc/74/66/23/735746623.db2.gz XSFOTWYZLMLAMP-GXTWGEPZSA-N 1 3 366.330 3.004 20 0 FGADHO CCOC(=O)c1ncc(CN(CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000879703856 737035134 /nfs/dbraw/zinc/03/51/34/737035134.db2.gz ZVRBOFGOLFDYOH-UHFFFAOYSA-N 1 3 353.532 3.120 20 0 FGADHO F[C@H]1CC2(CC[C@H]1N1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611735 739920681 /nfs/dbraw/zinc/92/06/81/739920681.db2.gz VDRFWAVRAUVFCU-RBUKOAKNSA-N 1 3 354.510 3.208 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697412 740033824 /nfs/dbraw/zinc/03/38/24/740033824.db2.gz SDCIYIYYIKOCHQ-RBUKOAKNSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697412 740033831 /nfs/dbraw/zinc/03/38/31/740033831.db2.gz SDCIYIYYIKOCHQ-RBUKOAKNSA-N 1 3 350.478 3.250 20 0 FGADHO F[C@@H]1CC2(CC[C@@H]1NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737783 740039022 /nfs/dbraw/zinc/03/90/22/740039022.db2.gz KRISXJHTQHYMCQ-JQHSSLGASA-N 1 3 368.518 3.183 20 0 FGADHO F[C@@H]1CC2(CC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737783 740039028 /nfs/dbraw/zinc/03/90/28/740039028.db2.gz KRISXJHTQHYMCQ-JQHSSLGASA-N 1 3 368.518 3.183 20 0 FGADHO Fc1ccc([C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769292 743881817 /nfs/dbraw/zinc/88/18/17/743881817.db2.gz BQGSJDGWTQLZBO-SJORKVTESA-N 1 3 350.453 3.303 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448693 759119155 /nfs/dbraw/zinc/11/91/55/759119155.db2.gz GFNVJQLNFMHFGL-CZUORRHYSA-N 1 3 353.304 3.340 20 0 FGADHO CS(=O)(=O)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925651157 759517294 /nfs/dbraw/zinc/51/72/94/759517294.db2.gz XLEKDIPQUXVQFW-KRWDZBQOSA-N 1 3 366.914 3.313 20 0 FGADHO O=C1O[C@H](CN[C@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852982 759559266 /nfs/dbraw/zinc/55/92/66/759559266.db2.gz JAVAGFMSVNDNAU-ZFWWWQNUSA-N 1 3 366.914 3.152 20 0 FGADHO CC(C)[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856374 759560486 /nfs/dbraw/zinc/56/04/86/759560486.db2.gz NNROULCSXNGHAO-YOEHRIQHSA-N 1 3 368.880 3.451 20 0 FGADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000925881413 759565779 /nfs/dbraw/zinc/56/57/79/759565779.db2.gz AILCQTAYCYCERM-VUCTXSBTSA-N 1 3 361.287 3.046 20 0 FGADHO CC(C)CCN1CCC([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000926802339 759824833 /nfs/dbraw/zinc/82/48/33/759824833.db2.gz UGYYHWMPLHCHIY-MAEOIBBWSA-N 1 3 353.551 3.390 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)c1ccc(CN2CCCCC2)o1)c1ccsc1 ZINC000929999851 760508149 /nfs/dbraw/zinc/50/81/49/760508149.db2.gz NSPCRGOFLZDRBZ-QGZVFWFLSA-N 1 3 361.511 3.360 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccsc1 ZINC000929999851 760508155 /nfs/dbraw/zinc/50/81/55/760508155.db2.gz NSPCRGOFLZDRBZ-QGZVFWFLSA-N 1 3 361.511 3.360 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC001022103669 765973334 /nfs/dbraw/zinc/97/33/34/765973334.db2.gz KKRWZSLJMGBJAL-REBRKWNGSA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC001022103669 765973336 /nfs/dbraw/zinc/97/33/36/765973336.db2.gz KKRWZSLJMGBJAL-REBRKWNGSA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293555308 257380071 /nfs/dbraw/zinc/38/00/71/257380071.db2.gz FLQSRXSSCODFFR-JRGCBEDISA-N 1 3 351.494 3.103 20 0 FGADHO CCN(CCOCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000579714803 505607673 /nfs/dbraw/zinc/60/76/73/505607673.db2.gz YNHWBYZMYWSDLZ-CQSZACIVSA-N 1 3 359.333 3.283 20 0 FGADHO CCCn1c2ccccc2nc1CN(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000576865148 505612392 /nfs/dbraw/zinc/61/23/92/505612392.db2.gz YXKYXGBOCKDWDM-LJQANCHMSA-N 1 3 371.573 3.294 20 0 FGADHO CCCn1c2ccccc2nc1CN(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000576865148 505612395 /nfs/dbraw/zinc/61/23/95/505612395.db2.gz YXKYXGBOCKDWDM-LJQANCHMSA-N 1 3 371.573 3.294 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC000579828738 505628579 /nfs/dbraw/zinc/62/85/79/505628579.db2.gz NLDGVMDBWFVLJK-OXJNMPFZSA-N 1 3 351.494 3.119 20 0 FGADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571047268 505640896 /nfs/dbraw/zinc/64/08/96/505640896.db2.gz PGNYRDQITYSYCO-ILXRZTDVSA-N 1 3 369.431 3.354 20 0 FGADHO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000568307462 505662754 /nfs/dbraw/zinc/66/27/54/505662754.db2.gz WRQVXQCHQQJLSN-HKUYNNGSSA-N 1 3 362.514 3.006 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332162 493867988 /nfs/dbraw/zinc/86/79/88/493867988.db2.gz PGPCBEMZTOJSKA-AWEZNQCLSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332162 493867990 /nfs/dbraw/zinc/86/79/90/493867990.db2.gz PGPCBEMZTOJSKA-AWEZNQCLSA-N 1 3 370.900 3.359 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC000577216953 505689591 /nfs/dbraw/zinc/68/95/91/505689591.db2.gz ZSQNIKPNGWXUQR-NRFANRHFSA-N 1 3 360.542 3.438 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3[nH]c4ccccc4c3Cl)CC2)CC1 ZINC000050797953 493935950 /nfs/dbraw/zinc/93/59/50/493935950.db2.gz KLPJAQKKGIUZIR-UHFFFAOYSA-N 1 3 374.916 3.110 20 0 FGADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000051236039 493955723 /nfs/dbraw/zinc/95/57/23/493955723.db2.gz AVNQSCZKXFMKDF-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO COC(=O)c1cccc(OCCN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000063500329 494061390 /nfs/dbraw/zinc/06/13/90/494061390.db2.gz GBCGWSHTJJVOKB-UHFFFAOYSA-N 1 3 374.525 3.440 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000084413999 494071001 /nfs/dbraw/zinc/07/10/01/494071001.db2.gz UNDRQASGPJNLNP-UHFFFAOYSA-N 1 3 374.554 3.083 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000084431533 494072239 /nfs/dbraw/zinc/07/22/39/494072239.db2.gz WPTQTAUOZDLRIO-UHFFFAOYSA-N 1 3 374.554 3.083 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063784061 494088373 /nfs/dbraw/zinc/08/83/73/494088373.db2.gz ZIUIXAUAHIUKPC-UHFFFAOYSA-N 1 3 371.569 3.479 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362784 494116576 /nfs/dbraw/zinc/11/65/76/494116576.db2.gz CCRDKECQMCLKQR-WSTZPKSXSA-N 1 3 374.573 3.315 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000085390198 494119888 /nfs/dbraw/zinc/11/98/88/494119888.db2.gz JPYVRMBXEULFBP-FXAWDEMLSA-N 1 3 360.546 3.010 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000085404745 494121496 /nfs/dbraw/zinc/12/14/96/494121496.db2.gz JEVRMHAFOLPCCE-LNLFQRSKSA-N 1 3 360.546 3.097 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000054509879 494241826 /nfs/dbraw/zinc/24/18/26/494241826.db2.gz GSAKMSOBBZESMB-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000054509879 494241829 /nfs/dbraw/zinc/24/18/29/494241829.db2.gz GSAKMSOBBZESMB-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698589 494263728 /nfs/dbraw/zinc/26/37/28/494263728.db2.gz YCGOATWCZPLERQ-RXVVDRJESA-N 1 3 372.557 3.195 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269604 /nfs/dbraw/zinc/26/96/04/494269604.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269611 /nfs/dbraw/zinc/26/96/11/494269611.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501009 505710892 /nfs/dbraw/zinc/71/08/92/505710892.db2.gz NYQAWPRKQXLLMV-QGZVFWFLSA-N 1 3 356.432 3.172 20 0 FGADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501009 505710894 /nfs/dbraw/zinc/71/08/94/505710894.db2.gz NYQAWPRKQXLLMV-QGZVFWFLSA-N 1 3 356.432 3.172 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512107 505712914 /nfs/dbraw/zinc/71/29/14/505712914.db2.gz FXPGKAWOLMONGM-VGOVLVCLSA-N 1 3 368.308 3.158 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365043 505713885 /nfs/dbraw/zinc/71/38/85/505713885.db2.gz OPVWUEDJUADPIX-CVEARBPZSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365043 505713888 /nfs/dbraw/zinc/71/38/88/505713888.db2.gz OPVWUEDJUADPIX-CVEARBPZSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533233 494363726 /nfs/dbraw/zinc/36/37/26/494363726.db2.gz OIWIAFUWDQAIGQ-CHWSQXEVSA-N 1 3 358.267 3.284 20 0 FGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533233 494363731 /nfs/dbraw/zinc/36/37/31/494363731.db2.gz OIWIAFUWDQAIGQ-CHWSQXEVSA-N 1 3 358.267 3.284 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000079223863 494421899 /nfs/dbraw/zinc/42/18/99/494421899.db2.gz XBYSUEZRGPLWFS-OAQYLSRUSA-N 1 3 374.573 3.489 20 0 FGADHO CNC(=O)c1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000066874095 494430023 /nfs/dbraw/zinc/43/00/23/494430023.db2.gz BPKOKNRTWUQIAM-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CNC(=O)c1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000066874095 494430025 /nfs/dbraw/zinc/43/00/25/494430025.db2.gz BPKOKNRTWUQIAM-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N(C)C)cc1 ZINC000079572696 494484299 /nfs/dbraw/zinc/48/42/99/494484299.db2.gz WOZSDYLDHFNTTI-OAQYLSRUSA-N 1 3 374.573 3.225 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000090655112 494490769 /nfs/dbraw/zinc/49/07/69/494490769.db2.gz ZKKYRHNSNOSYTR-NPPFBWRTSA-N 1 3 356.510 3.270 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000074250621 494503603 /nfs/dbraw/zinc/50/36/03/494503603.db2.gz OMFIVDSSMFGNPH-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N1CCCCCC1 ZINC000074249762 494503735 /nfs/dbraw/zinc/50/37/35/494503735.db2.gz CIQNTEKJYVPDJK-QGZVFWFLSA-N 1 3 363.571 3.341 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000079826157 494531417 /nfs/dbraw/zinc/53/14/17/494531417.db2.gz FYDGRJRAWZRPNW-NRFANRHFSA-N 1 3 374.573 3.443 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000079826157 494531420 /nfs/dbraw/zinc/53/14/20/494531420.db2.gz FYDGRJRAWZRPNW-NRFANRHFSA-N 1 3 374.573 3.443 20 0 FGADHO C[NH+](C)CCCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568579595 505727095 /nfs/dbraw/zinc/72/70/95/505727095.db2.gz UCORELQUPAQFBC-QFIPXVFZSA-N 1 3 357.542 3.233 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091283704 494577480 /nfs/dbraw/zinc/57/74/80/494577480.db2.gz MYMIKQOZPZKWMI-GOSISDBHSA-N 1 3 366.347 3.052 20 0 FGADHO C[C@@H](CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)N(C)C ZINC000580309990 505730147 /nfs/dbraw/zinc/73/01/47/505730147.db2.gz YAPJUMVNDPEORY-INIZCTEOSA-N 1 3 364.559 3.336 20 0 FGADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121117045 494603972 /nfs/dbraw/zinc/60/39/72/494603972.db2.gz XFQGMHGSTUCUBK-CQSZACIVSA-N 1 3 365.568 3.396 20 0 FGADHO CC1(C)CC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000057152862 494658451 /nfs/dbraw/zinc/65/84/51/494658451.db2.gz VSZDOKQEHNSXDK-UHFFFAOYSA-N 1 3 357.542 3.324 20 0 FGADHO CCCCCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126173631 494661324 /nfs/dbraw/zinc/66/13/24/494661324.db2.gz JDUIYUPHTMQWBF-QGZVFWFLSA-N 1 3 352.567 3.203 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075215740 494708731 /nfs/dbraw/zinc/70/87/31/494708731.db2.gz AZUIEWJNZRLYTL-INIZCTEOSA-N 1 3 357.498 3.298 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355867 494717904 /nfs/dbraw/zinc/71/79/04/494717904.db2.gz NEZPEPJWFGPOBF-HZPDHXFCSA-N 1 3 353.938 3.273 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371247 494724707 /nfs/dbraw/zinc/72/47/07/494724707.db2.gz IYZXUQHPHAIWDV-GJZGRUSLSA-N 1 3 373.463 3.351 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000092739815 494734372 /nfs/dbraw/zinc/73/43/72/494734372.db2.gz ZEDIQDROPLDSAF-HXUWFJFHSA-N 1 3 352.526 3.330 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410833 494759507 /nfs/dbraw/zinc/75/95/07/494759507.db2.gz QZYBUAZXRYITQL-FPOVZHCZSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410833 494759511 /nfs/dbraw/zinc/75/95/11/494759511.db2.gz QZYBUAZXRYITQL-FPOVZHCZSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)N1CCCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820969 494762680 /nfs/dbraw/zinc/76/26/80/494762680.db2.gz ICKXNORUFPLTQV-IBGZPJMESA-N 1 3 372.557 3.411 20 0 FGADHO CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821456 494763655 /nfs/dbraw/zinc/76/36/55/494763655.db2.gz QNWRXXFIHCVTER-QZTJIDSGSA-N 1 3 360.546 3.313 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043327 494766779 /nfs/dbraw/zinc/76/67/79/494766779.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 1 3 370.585 3.135 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043327 494766783 /nfs/dbraw/zinc/76/67/83/494766783.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 1 3 370.585 3.135 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000116435077 494786258 /nfs/dbraw/zinc/78/62/58/494786258.db2.gz IFFVDNVPIVCHKP-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000116435077 494786260 /nfs/dbraw/zinc/78/62/60/494786260.db2.gz IFFVDNVPIVCHKP-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000108811085 494791425 /nfs/dbraw/zinc/79/14/25/494791425.db2.gz SYNVGQQPYSYJIE-ICSRJNTNSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000108811085 494791429 /nfs/dbraw/zinc/79/14/29/494791429.db2.gz SYNVGQQPYSYJIE-ICSRJNTNSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116561144 494815948 /nfs/dbraw/zinc/81/59/48/494815948.db2.gz IGVRVYJYGWEAKE-SFHVURJKSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000093066170 494822688 /nfs/dbraw/zinc/82/26/88/494822688.db2.gz OTHDLQULVMTEPV-ROUUACIJSA-N 1 3 356.514 3.066 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714346 494825261 /nfs/dbraw/zinc/82/52/61/494825261.db2.gz YHMZQNNIWCGWOV-JOCHJYFZSA-N 1 3 365.521 3.438 20 0 FGADHO O[C@@H](Cc1ccccc1C(F)(F)F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000132363494 494862783 /nfs/dbraw/zinc/86/27/83/494862783.db2.gz ZMNQFHPHISFISD-SFHVURJKSA-N 1 3 370.459 3.417 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914856 494888702 /nfs/dbraw/zinc/88/87/02/494888702.db2.gz IRGVKYJLCKMMGY-UWJYYQICSA-N 1 3 357.542 3.005 20 0 FGADHO c1cc2c(s1)CCN(CCNC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000132847764 494932515 /nfs/dbraw/zinc/93/25/15/494932515.db2.gz VRBYCLGXCORZFR-UHFFFAOYSA-N 1 3 369.578 3.403 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041558 494959984 /nfs/dbraw/zinc/95/99/84/494959984.db2.gz YTYJCPJBCZYHGF-ZWKOTPCHSA-N 1 3 354.498 3.024 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000122458607 494979521 /nfs/dbraw/zinc/97/95/21/494979521.db2.gz GMLCICXNXBKFPX-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000122458607 494979524 /nfs/dbraw/zinc/97/95/24/494979524.db2.gz GMLCICXNXBKFPX-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211711 494985600 /nfs/dbraw/zinc/98/56/00/494985600.db2.gz XMIOCSKEPPSTSV-PBHICJAKSA-N 1 3 359.436 3.424 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000133726973 495052571 /nfs/dbraw/zinc/05/25/71/495052571.db2.gz KUWXPOUJXGTYCJ-OAQYLSRUSA-N 1 3 374.573 3.258 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000133726973 495052574 /nfs/dbraw/zinc/05/25/74/495052574.db2.gz KUWXPOUJXGTYCJ-OAQYLSRUSA-N 1 3 374.573 3.258 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144350 495061130 /nfs/dbraw/zinc/06/11/30/495061130.db2.gz ZLWCPCNMKOBCDV-PBHICJAKSA-N 1 3 355.320 3.193 20 0 FGADHO c1ccc(COc2cccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000580445330 505760947 /nfs/dbraw/zinc/76/09/47/505760947.db2.gz SSBODUTUHFRZEI-FQEVSTJZSA-N 1 3 351.494 3.482 20 0 FGADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123473153 495137555 /nfs/dbraw/zinc/13/75/55/495137555.db2.gz ZCJPNCCSTHQJID-QGZVFWFLSA-N 1 3 363.521 3.399 20 0 FGADHO CCOc1cc2nccc(NCC3CC[NH+](CCO)CC3)c2cc1OCC ZINC000112333036 495176643 /nfs/dbraw/zinc/17/66/43/495176643.db2.gz KCYPALOTOZKLQZ-UHFFFAOYSA-N 1 3 373.497 3.148 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119639957 495208300 /nfs/dbraw/zinc/20/83/00/495208300.db2.gz MVPAGJOCFLUDNU-JOCHJYFZSA-N 1 3 365.521 3.447 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119639957 495208305 /nfs/dbraw/zinc/20/83/05/495208305.db2.gz MVPAGJOCFLUDNU-JOCHJYFZSA-N 1 3 365.521 3.447 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119678245 495216355 /nfs/dbraw/zinc/21/63/55/495216355.db2.gz VTWQACFITYZNRJ-QLFBSQMISA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119678245 495216359 /nfs/dbraw/zinc/21/63/59/495216359.db2.gz VTWQACFITYZNRJ-QLFBSQMISA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119678245 495216363 /nfs/dbraw/zinc/21/63/63/495216363.db2.gz VTWQACFITYZNRJ-QLFBSQMISA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119678561 495216860 /nfs/dbraw/zinc/21/68/60/495216860.db2.gz VTWQACFITYZNRJ-RBSFLKMASA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119678561 495216865 /nfs/dbraw/zinc/21/68/65/495216865.db2.gz VTWQACFITYZNRJ-RBSFLKMASA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119678561 495216869 /nfs/dbraw/zinc/21/68/69/495216869.db2.gz VTWQACFITYZNRJ-RBSFLKMASA-N 1 3 369.351 3.277 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134918657 495222776 /nfs/dbraw/zinc/22/27/76/495222776.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 1 3 372.553 3.300 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134918657 495222777 /nfs/dbraw/zinc/22/27/77/495222777.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 1 3 372.553 3.300 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000119719158 495225819 /nfs/dbraw/zinc/22/58/19/495225819.db2.gz RPMAIBMJRYADFO-QILLFSRXSA-N 1 3 364.559 3.055 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000119719158 495225824 /nfs/dbraw/zinc/22/58/24/495225824.db2.gz RPMAIBMJRYADFO-QILLFSRXSA-N 1 3 364.559 3.055 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405283 495282298 /nfs/dbraw/zinc/28/22/98/495282298.db2.gz KDGKYYPVBLXXAL-IBGZPJMESA-N 1 3 373.516 3.125 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000113625576 495322996 /nfs/dbraw/zinc/32/29/96/495322996.db2.gz SBFNVBQBYBRZQY-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CN(c1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC1)C1CCN(C)CC1 ZINC000129994291 495325965 /nfs/dbraw/zinc/32/59/65/495325965.db2.gz PSLGMGMIMQJKAP-SFHVURJKSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)C1CCN(C)CC1 ZINC000129994291 495325969 /nfs/dbraw/zinc/32/59/69/495325969.db2.gz PSLGMGMIMQJKAP-SFHVURJKSA-N 1 3 357.542 3.218 20 0 FGADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000135820237 495335818 /nfs/dbraw/zinc/33/58/18/495335818.db2.gz MJQCQVQMSXBJFG-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000135820237 495335822 /nfs/dbraw/zinc/33/58/22/495335822.db2.gz MJQCQVQMSXBJFG-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000105204396 495345154 /nfs/dbraw/zinc/34/51/54/495345154.db2.gz SNOPJGISTCPCGL-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO O[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124830136 495351000 /nfs/dbraw/zinc/35/10/00/495351000.db2.gz YULNEVOQAOPXGN-NRFANRHFSA-N 1 3 360.448 3.295 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000125217805 495408372 /nfs/dbraw/zinc/40/83/72/495408372.db2.gz GHKNXZRILGODFR-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114786229 495424507 /nfs/dbraw/zinc/42/45/07/495424507.db2.gz MXFDFKFFSSPIAP-FQEVSTJZSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140987 495497690 /nfs/dbraw/zinc/49/76/90/495497690.db2.gz WJWOBDLQXOSKFV-ZIAGYGMSSA-N 1 3 372.326 3.265 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125882451 495513149 /nfs/dbraw/zinc/51/31/49/495513149.db2.gz SZYKVTYWHKUQAT-IRXDYDNUSA-N 1 3 367.559 3.219 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000154339356 495585816 /nfs/dbraw/zinc/58/58/16/495585816.db2.gz KKPGVBZNFIAFJI-ICSRJNTNSA-N 1 3 357.542 3.230 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179472188 495605102 /nfs/dbraw/zinc/60/51/02/495605102.db2.gz CBYOAABKXHSJBT-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000154443568 495616615 /nfs/dbraw/zinc/61/66/15/495616615.db2.gz RXVDHCXZKQYLQY-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000182830827 495719890 /nfs/dbraw/zinc/71/98/90/495719890.db2.gz RVAGUIAKTYSWOH-KURKYZTESA-N 1 3 372.557 3.417 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905451 /nfs/dbraw/zinc/90/54/51/495905451.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905444 /nfs/dbraw/zinc/90/54/44/495905444.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 1 3 354.922 3.193 20 0 FGADHO CN(C)CCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000151647960 495906075 /nfs/dbraw/zinc/90/60/75/495906075.db2.gz JYSGIYHSLFKQQP-UHFFFAOYSA-N 1 3 364.578 3.299 20 0 FGADHO CCC[C@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174467400 495971943 /nfs/dbraw/zinc/97/19/43/495971943.db2.gz DPHHANVZWKISJJ-OAQYLSRUSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(OCCN(C)C)cc1 ZINC000186491018 496017250 /nfs/dbraw/zinc/01/72/50/496017250.db2.gz NHLQVZQCRODTBI-QGZVFWFLSA-N 1 3 366.509 3.407 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000155985249 496125061 /nfs/dbraw/zinc/12/50/61/496125061.db2.gz XEOFXNLOWHFYKB-NQIIRXRSSA-N 1 3 357.542 3.278 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174838801 496127348 /nfs/dbraw/zinc/12/73/48/496127348.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 1 3 352.567 3.011 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174838801 496127349 /nfs/dbraw/zinc/12/73/49/496127349.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 1 3 352.567 3.011 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC1(C[NH+](C)C)CCCC1 ZINC000183950211 496173410 /nfs/dbraw/zinc/17/34/10/496173410.db2.gz UDRJNIFFCMCAFZ-CQSZACIVSA-N 1 3 352.910 3.164 20 0 FGADHO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)C2 ZINC000180907245 496194304 /nfs/dbraw/zinc/19/43/04/496194304.db2.gz DETPXWLWRCIBSV-VGSWGCGISA-N 1 3 365.521 3.310 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000156436695 496245902 /nfs/dbraw/zinc/24/59/02/496245902.db2.gz XMMKTCPVIQDLHZ-UHFFFAOYSA-N 1 3 374.573 3.459 20 0 FGADHO COc1ccc(OC)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000178034145 496298117 /nfs/dbraw/zinc/29/81/17/496298117.db2.gz OXAHTTPRAWSVII-ZACQAIPSSA-N 1 3 350.503 3.244 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000178038639 496298778 /nfs/dbraw/zinc/29/87/78/496298778.db2.gz WLXHGXISGTYKTE-OTWHNJEPSA-N 1 3 356.514 3.412 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156849167 496348261 /nfs/dbraw/zinc/34/82/61/496348261.db2.gz UZNIANJRZBINJG-IFMALSPDSA-N 1 3 357.542 3.266 20 0 FGADHO C[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178209355 496371730 /nfs/dbraw/zinc/37/17/30/496371730.db2.gz GBMLZBKRHWPFLC-MRXNPFEDSA-N 1 3 356.466 3.249 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508870 496416643 /nfs/dbraw/zinc/41/66/43/496416643.db2.gz JUSYTSMOPFCOCC-BZSNNMDCSA-N 1 3 358.530 3.028 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187479044 496458557 /nfs/dbraw/zinc/45/85/57/496458557.db2.gz SKEMTKJDIKWQNS-TYPHKJRUSA-N 1 3 374.573 3.267 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187479044 496458562 /nfs/dbraw/zinc/45/85/62/496458562.db2.gz SKEMTKJDIKWQNS-TYPHKJRUSA-N 1 3 374.573 3.267 20 0 FGADHO CCCC[C@H](CCC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699577 496506254 /nfs/dbraw/zinc/50/62/54/496506254.db2.gz WCECBMLVFZTZEO-KRWDZBQOSA-N 1 3 352.567 3.203 20 0 FGADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000164440037 496611916 /nfs/dbraw/zinc/61/19/16/496611916.db2.gz FXHQDRZXOHZEKE-CQSZACIVSA-N 1 3 352.910 3.306 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529325 496661043 /nfs/dbraw/zinc/66/10/43/496661043.db2.gz SHWBERJFESXBDR-NQIIRXRSSA-N 1 3 369.509 3.359 20 0 FGADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080429 496675012 /nfs/dbraw/zinc/67/50/12/496675012.db2.gz MVPFFMJOPXBEHF-NQIIRXRSSA-N 1 3 359.514 3.144 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761648 496777523 /nfs/dbraw/zinc/77/75/23/496777523.db2.gz OEQFXZBODTVUJE-UCNVEGJOSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761648 496777524 /nfs/dbraw/zinc/77/75/24/496777524.db2.gz OEQFXZBODTVUJE-UCNVEGJOSA-N 1 3 354.494 3.371 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000247100483 496778940 /nfs/dbraw/zinc/77/89/40/496778940.db2.gz OOPWEFKEQGJZKG-XYMVCZMASA-N 1 3 366.571 3.357 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000268774332 496781392 /nfs/dbraw/zinc/78/13/92/496781392.db2.gz RCZPPBLMGVIICR-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000268774332 496781395 /nfs/dbraw/zinc/78/13/95/496781395.db2.gz RCZPPBLMGVIICR-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO CC(C)N(C)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000191547619 496806111 /nfs/dbraw/zinc/80/61/11/496806111.db2.gz ZNFOWLGXXXCIHC-UHFFFAOYSA-N 1 3 353.514 3.327 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562041 496813201 /nfs/dbraw/zinc/81/32/01/496813201.db2.gz SXYDZVJUWZQJNI-IBGZPJMESA-N 1 3 370.541 3.423 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562041 496813209 /nfs/dbraw/zinc/81/32/09/496813209.db2.gz SXYDZVJUWZQJNI-IBGZPJMESA-N 1 3 370.541 3.423 20 0 FGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268883094 496813545 /nfs/dbraw/zinc/81/35/45/496813545.db2.gz KPJDCWZNRBZILM-CQSZACIVSA-N 1 3 374.497 3.456 20 0 FGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111489 496873232 /nfs/dbraw/zinc/87/32/32/496873232.db2.gz IYKUHFKQBFOMIB-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111489 496873237 /nfs/dbraw/zinc/87/32/37/496873237.db2.gz IYKUHFKQBFOMIB-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO CSc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341840 496895827 /nfs/dbraw/zinc/89/58/27/496895827.db2.gz JAOQXVSGXIVOKT-UHFFFAOYSA-N 1 3 362.543 3.089 20 0 FGADHO OC[C@@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000569193050 505873088 /nfs/dbraw/zinc/87/30/88/505873088.db2.gz YNOKHMKHEDSCFO-OAHLLOKOSA-N 1 3 370.459 3.252 20 0 FGADHO OC[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000569193050 505873093 /nfs/dbraw/zinc/87/30/93/505873093.db2.gz YNOKHMKHEDSCFO-OAHLLOKOSA-N 1 3 370.459 3.252 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976717 496937323 /nfs/dbraw/zinc/93/73/23/496937323.db2.gz KZTAYNLAKUVWIF-ZWOKBUDYSA-N 1 3 364.530 3.491 20 0 FGADHO NC[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000192551365 497146930 /nfs/dbraw/zinc/14/69/30/497146930.db2.gz URWIHYXICGVEJJ-JOCHJYFZSA-N 1 3 373.500 3.277 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000236980288 497175222 /nfs/dbraw/zinc/17/52/22/497175222.db2.gz NLGOACRRVNVQOD-ORYQWCPZSA-N 1 3 353.510 3.304 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192789731 497215024 /nfs/dbraw/zinc/21/50/24/497215024.db2.gz WAGUJGNMMJRHTG-LJQANCHMSA-N 1 3 369.557 3.247 20 0 FGADHO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000574963123 505892207 /nfs/dbraw/zinc/89/22/07/505892207.db2.gz ZXPMNIPBCRAIMU-JBACZVJFSA-N 1 3 363.505 3.292 20 0 FGADHO CN(C)CCN1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000192945512 497254290 /nfs/dbraw/zinc/25/42/90/497254290.db2.gz NPXVBPGWTXIRPR-UHFFFAOYSA-N 1 3 351.538 3.434 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000193003832 497271406 /nfs/dbraw/zinc/27/14/06/497271406.db2.gz SNFOOXQEXCTZDJ-RBBKRZOGSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000255058658 497356662 /nfs/dbraw/zinc/35/66/62/497356662.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000255058658 497356668 /nfs/dbraw/zinc/35/66/68/497356668.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 1 3 352.567 3.061 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148972 505901605 /nfs/dbraw/zinc/90/16/05/505901605.db2.gz MBILRFJMDMGXMK-FRQCXROJSA-N 1 3 354.922 3.100 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148972 505901607 /nfs/dbraw/zinc/90/16/07/505901607.db2.gz MBILRFJMDMGXMK-FRQCXROJSA-N 1 3 354.922 3.100 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148972 505901611 /nfs/dbraw/zinc/90/16/11/505901611.db2.gz MBILRFJMDMGXMK-FRQCXROJSA-N 1 3 354.922 3.100 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000271517364 497370010 /nfs/dbraw/zinc/37/00/10/497370010.db2.gz NYJISQMPRPUUST-FQEVSTJZSA-N 1 3 355.482 3.198 20 0 FGADHO CN(CCNC(=O)Nc1ccccc1CC[NH+](C)C)Cc1ccccc1 ZINC000275691599 497404631 /nfs/dbraw/zinc/40/46/31/497404631.db2.gz RLKCOVBAGHBWAJ-UHFFFAOYSA-N 1 3 354.498 3.044 20 0 FGADHO C[C@@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261608296 497418986 /nfs/dbraw/zinc/41/89/86/497418986.db2.gz RUXOTQHUUKJONV-AZUAARDMSA-N 1 3 357.542 3.135 20 0 FGADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977582 497485864 /nfs/dbraw/zinc/48/58/64/497485864.db2.gz GQEOVIPNVFZDNA-GJZGRUSLSA-N 1 3 351.922 3.227 20 0 FGADHO CC(C)(C)N1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000245681762 497499521 /nfs/dbraw/zinc/49/95/21/497499521.db2.gz JAPXEFKGTJDIBG-LWYYNNOASA-N 1 3 355.526 3.171 20 0 FGADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2ccccc2)s1 ZINC000262065976 497502602 /nfs/dbraw/zinc/50/26/02/497502602.db2.gz ROWDPTAGLPGSFI-KRWDZBQOSA-N 1 3 357.523 3.235 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917942 497519464 /nfs/dbraw/zinc/51/94/64/497519464.db2.gz WQNDTPRRPUPKOL-OAQYLSRUSA-N 1 3 356.535 3.276 20 0 FGADHO CC(C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759908 497530971 /nfs/dbraw/zinc/53/09/71/497530971.db2.gz VKQQDVNHMYMNAX-KAOXLYBCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759908 497530973 /nfs/dbraw/zinc/53/09/73/497530973.db2.gz VKQQDVNHMYMNAX-KAOXLYBCSA-N 1 3 371.569 3.128 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569352845 505915333 /nfs/dbraw/zinc/91/53/33/505915333.db2.gz GCKPUMNITRQSFW-FQEVSTJZSA-N 1 3 351.494 3.251 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569352845 505915338 /nfs/dbraw/zinc/91/53/38/505915338.db2.gz GCKPUMNITRQSFW-FQEVSTJZSA-N 1 3 351.494 3.251 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000245983806 497589709 /nfs/dbraw/zinc/58/97/09/497589709.db2.gz HGQZOIDVSCZPMR-UYAOXDASSA-N 1 3 364.530 3.134 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000245983806 497589716 /nfs/dbraw/zinc/58/97/16/497589716.db2.gz HGQZOIDVSCZPMR-UYAOXDASSA-N 1 3 364.530 3.134 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000262645659 497590637 /nfs/dbraw/zinc/59/06/37/497590637.db2.gz NLGOACRRVNVQOD-CZAAIQMYSA-N 1 3 353.510 3.304 20 0 FGADHO C[C@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000262659763 497594376 /nfs/dbraw/zinc/59/43/76/497594376.db2.gz NJWPZSOZPLNYFJ-GOSISDBHSA-N 1 3 357.542 3.135 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)c(OC)c3)cc2)CC1 ZINC000194216530 497604455 /nfs/dbraw/zinc/60/44/55/497604455.db2.gz SQQXBSVWLCMYMV-UHFFFAOYSA-N 1 3 367.537 3.431 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132701 505917374 /nfs/dbraw/zinc/91/73/74/505917374.db2.gz MMNKSXQFBSXUPF-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132701 505917376 /nfs/dbraw/zinc/91/73/76/505917376.db2.gz MMNKSXQFBSXUPF-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565366 497663612 /nfs/dbraw/zinc/66/36/12/497663612.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565366 497663616 /nfs/dbraw/zinc/66/36/16/497663616.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C[NH+]1CCCC1 ZINC000276891603 497680366 /nfs/dbraw/zinc/68/03/66/497680366.db2.gz MEUBTQBPMMUBDO-AWEZNQCLSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)CN1CCCC1 ZINC000276891603 497680371 /nfs/dbraw/zinc/68/03/71/497680371.db2.gz MEUBTQBPMMUBDO-AWEZNQCLSA-N 1 3 352.910 3.164 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1F ZINC000246297791 497687795 /nfs/dbraw/zinc/68/77/95/497687795.db2.gz CTSNZVBIQOUZKU-ZOCIIQOWSA-N 1 3 350.478 3.253 20 0 FGADHO CN(C)Cc1cccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1 ZINC000263058695 497694659 /nfs/dbraw/zinc/69/46/59/497694659.db2.gz XXCOLTWJARJDGU-UHFFFAOYSA-N 1 3 351.372 3.478 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272743656 497718456 /nfs/dbraw/zinc/71/84/56/497718456.db2.gz RJZKFLZVCQCJST-QGZVFWFLSA-N 1 3 374.529 3.179 20 0 FGADHO C[C@H]1COCCN1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254405 505926526 /nfs/dbraw/zinc/92/65/26/505926526.db2.gz NQKMICOOKSFTDI-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194746700 497757438 /nfs/dbraw/zinc/75/74/38/497757438.db2.gz HPGAEHUCSJQMEI-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194746700 497757440 /nfs/dbraw/zinc/75/74/40/497757440.db2.gz HPGAEHUCSJQMEI-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246791794 497811126 /nfs/dbraw/zinc/81/11/26/497811126.db2.gz AMEHTUXWNLMLSR-QZTJIDSGSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246791794 497811127 /nfs/dbraw/zinc/81/11/27/497811127.db2.gz AMEHTUXWNLMLSR-QZTJIDSGSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891053 497818939 /nfs/dbraw/zinc/81/89/39/497818939.db2.gz FKLDNRZFWAAQOM-FGTMMUONSA-N 1 3 366.571 3.499 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891053 497818940 /nfs/dbraw/zinc/81/89/40/497818940.db2.gz FKLDNRZFWAAQOM-FGTMMUONSA-N 1 3 366.571 3.499 20 0 FGADHO CC1CC[NH+](C[C@@H](O)CN[C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575360676 505967988 /nfs/dbraw/zinc/96/79/88/505967988.db2.gz YHCFTQRLLPGLRW-ICSRJNTNSA-N 1 3 350.934 3.344 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000581387009 505976666 /nfs/dbraw/zinc/97/66/66/505976666.db2.gz ZAAOJZUXBRTFOQ-QFIPXVFZSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402591 505979637 /nfs/dbraw/zinc/97/96/37/505979637.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402591 505979639 /nfs/dbraw/zinc/97/96/39/505979639.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640477 505987610 /nfs/dbraw/zinc/98/76/10/505987610.db2.gz XYWRJBAMUGBQBT-OXJNMPFZSA-N 1 3 368.949 3.489 20 0 FGADHO CCCN(CCC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000575748482 505996095 /nfs/dbraw/zinc/99/60/95/505996095.db2.gz FDQQRODSKNASGB-UHFFFAOYSA-N 1 3 368.319 3.242 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484138 505998845 /nfs/dbraw/zinc/99/88/45/505998845.db2.gz VFTTXXHOMKPAMC-ZNMIVQPWSA-N 1 3 361.313 3.196 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484137 505998871 /nfs/dbraw/zinc/99/88/71/505998871.db2.gz VFTTXXHOMKPAMC-RRFJBIMHSA-N 1 3 361.313 3.196 20 0 FGADHO Cc1ccncc1CCC[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000289957692 498370300 /nfs/dbraw/zinc/37/03/00/498370300.db2.gz BBSDVSSTFZCRCE-UHFFFAOYSA-N 1 3 353.510 3.069 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282067754 498378315 /nfs/dbraw/zinc/37/83/15/498378315.db2.gz GZOGUAMPYCCWGG-QGZVFWFLSA-N 1 3 356.514 3.300 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000365273124 498382213 /nfs/dbraw/zinc/38/22/13/498382213.db2.gz YSPTUYOPCINNJR-VLCRHTCISA-N 1 3 368.525 3.160 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000365273124 498382219 /nfs/dbraw/zinc/38/22/19/498382219.db2.gz YSPTUYOPCINNJR-VLCRHTCISA-N 1 3 368.525 3.160 20 0 FGADHO C[C@@H](CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730577 498422882 /nfs/dbraw/zinc/42/28/82/498422882.db2.gz YMYJKHVFOZLKNP-ICSRJNTNSA-N 1 3 357.542 3.041 20 0 FGADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000290192125 498458762 /nfs/dbraw/zinc/45/87/62/498458762.db2.gz FZKXOLVUANPPJE-FXAWDEMLSA-N 1 3 370.468 3.178 20 0 FGADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000290192125 498458771 /nfs/dbraw/zinc/45/87/71/498458771.db2.gz FZKXOLVUANPPJE-FXAWDEMLSA-N 1 3 370.468 3.178 20 0 FGADHO CCN(Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669225 506040846 /nfs/dbraw/zinc/04/08/46/506040846.db2.gz JQFOQPCPURZMOF-SFHVURJKSA-N 1 3 364.493 3.134 20 0 FGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000578895409 506046487 /nfs/dbraw/zinc/04/64/87/506046487.db2.gz STYQQXZPHHNNFG-KRWDZBQOSA-N 1 3 358.555 3.325 20 0 FGADHO CCn1ccnc1[C@H](C)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000297682742 498535167 /nfs/dbraw/zinc/53/51/67/498535167.db2.gz LNKRUZTXDKOKKB-KRWDZBQOSA-N 1 3 356.514 3.474 20 0 FGADHO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCC2)o1 ZINC000297702743 498541604 /nfs/dbraw/zinc/54/16/04/498541604.db2.gz QOYWGRABZMSLRM-HXUWFJFHSA-N 1 3 354.498 3.379 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000578928009 506053396 /nfs/dbraw/zinc/05/33/96/506053396.db2.gz RRVJNPCIMIEJSM-UYAOXDASSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000578928009 506053399 /nfs/dbraw/zinc/05/33/99/506053399.db2.gz RRVJNPCIMIEJSM-UYAOXDASSA-N 1 3 360.546 3.160 20 0 FGADHO FC(F)(F)c1ccn([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046569 506063570 /nfs/dbraw/zinc/06/35/70/506063570.db2.gz UCGJRCKKKMBVIN-QGZVFWFLSA-N 1 3 364.415 3.385 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000287167992 498657774 /nfs/dbraw/zinc/65/77/74/498657774.db2.gz BZZRZTRWAZQESP-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO COc1ccc([C@@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCCN2C)cc1 ZINC000363136489 498668371 /nfs/dbraw/zinc/66/83/71/498668371.db2.gz JDNDAWOBSLEOJH-QFBILLFUSA-N 1 3 353.470 3.110 20 0 FGADHO C[NH+](C)C1CCN(c2ccc(NC3CCN(C4CC4)CC3)cc2F)CC1 ZINC000298255079 498711470 /nfs/dbraw/zinc/71/14/70/498711470.db2.gz DXJSOTGFWIWURY-UHFFFAOYSA-N 1 3 360.521 3.395 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311520726 498752084 /nfs/dbraw/zinc/75/20/84/498752084.db2.gz JFBUISODLPZXEW-UWJYYQICSA-N 1 3 352.478 3.473 20 0 FGADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690827 498760226 /nfs/dbraw/zinc/76/02/26/498760226.db2.gz QJWWSXHKXVYCDD-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690827 498760234 /nfs/dbraw/zinc/76/02/34/498760234.db2.gz QJWWSXHKXVYCDD-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO C[N@H+](CCSc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363379374 498789591 /nfs/dbraw/zinc/78/95/91/498789591.db2.gz PDTRARNIYUCSIG-UHFFFAOYSA-N 1 3 352.519 3.493 20 0 FGADHO C[N@@H+](CCSc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363379374 498789600 /nfs/dbraw/zinc/78/96/00/498789600.db2.gz PDTRARNIYUCSIG-UHFFFAOYSA-N 1 3 352.519 3.493 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000298528241 498802476 /nfs/dbraw/zinc/80/24/76/498802476.db2.gz RZNNQDSTEAUWHC-MRXNPFEDSA-N 1 3 366.465 3.358 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CN1CCCC1 ZINC000320698302 498809493 /nfs/dbraw/zinc/80/94/93/498809493.db2.gz HVJRKOXHELPCKW-UKRRQHHQSA-N 1 3 361.313 3.055 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncsc3C(C)C)CC2)CC1 ZINC000573018709 506099730 /nfs/dbraw/zinc/09/97/30/506099730.db2.gz AYTYMGKTEULBFC-UHFFFAOYSA-N 1 3 364.559 3.401 20 0 FGADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000287889631 498893745 /nfs/dbraw/zinc/89/37/45/498893745.db2.gz YYDUVTNHRIZBKG-SQNIBIBYSA-N 1 3 356.432 3.251 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000287991292 498919495 /nfs/dbraw/zinc/91/94/95/498919495.db2.gz KXWQFHJYXXKSDH-FXAWDEMLSA-N 1 3 360.546 3.194 20 0 FGADHO CCN1CCN(c2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000291501736 498967023 /nfs/dbraw/zinc/96/70/23/498967023.db2.gz VMHGRTOHJSVWKL-UHFFFAOYSA-N 1 3 365.525 3.304 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000364046344 499098851 /nfs/dbraw/zinc/09/88/51/499098851.db2.gz BZKMIGMDQHFWQF-TTYHFUOFSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000364046344 499098855 /nfs/dbraw/zinc/09/88/55/499098855.db2.gz BZKMIGMDQHFWQF-TTYHFUOFSA-N 1 3 366.933 3.027 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@](C)(CNC2CC([NH+]3CCCCC3)C2)C1 ZINC000366954286 499121771 /nfs/dbraw/zinc/12/17/71/499121771.db2.gz PDBPYVUHKAGYDO-LBXVMSDZSA-N 1 3 351.535 3.240 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000369871831 499142279 /nfs/dbraw/zinc/14/22/79/499142279.db2.gz JLHUIVJAXMSZCW-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)ccc1OC ZINC000367066439 499142737 /nfs/dbraw/zinc/14/27/37/499142737.db2.gz JNLVMGKAAOOCGB-OHEPNIRZSA-N 1 3 373.541 3.245 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)ccc1OC ZINC000367066440 499142832 /nfs/dbraw/zinc/14/28/32/499142832.db2.gz JNLVMGKAAOOCGB-VQPPSCEASA-N 1 3 373.541 3.245 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000367245959 499167753 /nfs/dbraw/zinc/16/77/53/499167753.db2.gz HZUMZYUVXDEATI-OXJNMPFZSA-N 1 3 373.541 3.389 20 0 FGADHO C(CN1CCCCC1)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000372905985 499192699 /nfs/dbraw/zinc/19/26/99/499192699.db2.gz ZDCUFQPWRQZMHK-LJQANCHMSA-N 1 3 371.573 3.450 20 0 FGADHO COC(=O)N1CCC(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000367517559 499208230 /nfs/dbraw/zinc/20/82/30/499208230.db2.gz CBADQYUZOUYJPG-QFBILLFUSA-N 1 3 351.535 3.098 20 0 FGADHO COC(=O)N1CCC(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000367517559 499208232 /nfs/dbraw/zinc/20/82/32/499208232.db2.gz CBADQYUZOUYJPG-QFBILLFUSA-N 1 3 351.535 3.098 20 0 FGADHO C[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000367907170 499243998 /nfs/dbraw/zinc/24/39/98/499243998.db2.gz SNRZVZOKARIQAO-INIZCTEOSA-N 1 3 372.538 3.169 20 0 FGADHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698838 499245677 /nfs/dbraw/zinc/24/56/77/499245677.db2.gz KISJEAGISXEUIV-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000367999482 499253460 /nfs/dbraw/zinc/25/34/60/499253460.db2.gz UYKZVRIQIBBSKD-OTWHNJEPSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367999482 499253462 /nfs/dbraw/zinc/25/34/62/499253462.db2.gz UYKZVRIQIBBSKD-OTWHNJEPSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367999482 499253463 /nfs/dbraw/zinc/25/34/63/499253463.db2.gz UYKZVRIQIBBSKD-OTWHNJEPSA-N 1 3 357.498 3.256 20 0 FGADHO CN(Cc1ccc(CO)cc1)[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260307 /nfs/dbraw/zinc/26/03/07/499260307.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 1 3 368.521 3.158 20 0 FGADHO CN(Cc1ccc(CO)cc1)[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260308 /nfs/dbraw/zinc/26/03/08/499260308.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 1 3 368.521 3.158 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000368279899 499281261 /nfs/dbraw/zinc/28/12/61/499281261.db2.gz CZBKVABZXIGXMS-UHFFFAOYSA-N 1 3 365.521 3.185 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361951 499289006 /nfs/dbraw/zinc/28/90/06/499289006.db2.gz DTNRBUJQBJLYMT-MJGOQNOKSA-N 1 3 366.509 3.338 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241527 499301292 /nfs/dbraw/zinc/30/12/92/499301292.db2.gz CRXKSABLTPNTSY-QKNQBKEWSA-N 1 3 373.516 3.028 20 0 FGADHO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927508 499380518 /nfs/dbraw/zinc/38/05/18/499380518.db2.gz PYISKMXZWJQZAQ-RBBKRZOGSA-N 1 3 350.510 3.464 20 0 FGADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973029 499385506 /nfs/dbraw/zinc/38/55/06/499385506.db2.gz IAHLVXHTTHTNMY-NMIHRBCNSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973029 499385508 /nfs/dbraw/zinc/38/55/08/499385508.db2.gz IAHLVXHTTHTNMY-NMIHRBCNSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973029 499385510 /nfs/dbraw/zinc/38/55/10/499385510.db2.gz IAHLVXHTTHTNMY-NMIHRBCNSA-N 1 3 359.558 3.077 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000369449701 499404449 /nfs/dbraw/zinc/40/44/49/499404449.db2.gz XPSITIRZRNLADC-NQIIRXRSSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000369766948 499441720 /nfs/dbraw/zinc/44/17/20/499441720.db2.gz PACVCTHEXWMSEQ-IFMALSPDSA-N 1 3 359.558 3.030 20 0 FGADHO CCCN1CCN(C2CC[NH+](C[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000372933080 499443632 /nfs/dbraw/zinc/44/36/32/499443632.db2.gz YIOSVUUXMLLHCK-IBGZPJMESA-N 1 3 359.558 3.291 20 0 FGADHO Cc1csc(=O)n1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301273 499499626 /nfs/dbraw/zinc/49/96/26/499499626.db2.gz IHPVCBCBTASOIE-UHFFFAOYSA-N 1 3 371.550 3.206 20 0 FGADHO Cc1csc(=O)n1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301273 499499628 /nfs/dbraw/zinc/49/96/28/499499628.db2.gz IHPVCBCBTASOIE-UHFFFAOYSA-N 1 3 371.550 3.206 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325879 499507654 /nfs/dbraw/zinc/50/76/54/499507654.db2.gz HXPIGXJFCXRUGI-QHCPKHFHSA-N 1 3 371.569 3.274 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378425928 499515786 /nfs/dbraw/zinc/51/57/86/499515786.db2.gz GTGVSYCSXUZYIJ-MAUKXSAKSA-N 1 3 367.484 3.449 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378425928 499515787 /nfs/dbraw/zinc/51/57/87/499515787.db2.gz GTGVSYCSXUZYIJ-MAUKXSAKSA-N 1 3 367.484 3.449 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449305 499520621 /nfs/dbraw/zinc/52/06/21/499520621.db2.gz PGKNQBZOPRRVFN-DNVJHFABSA-N 1 3 368.521 3.237 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449305 499520623 /nfs/dbraw/zinc/52/06/23/499520623.db2.gz PGKNQBZOPRRVFN-DNVJHFABSA-N 1 3 368.521 3.237 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592919 499535801 /nfs/dbraw/zinc/53/58/01/499535801.db2.gz VGJPDRORYAKMOI-HXUWFJFHSA-N 1 3 368.569 3.384 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592919 499535802 /nfs/dbraw/zinc/53/58/02/499535802.db2.gz VGJPDRORYAKMOI-HXUWFJFHSA-N 1 3 368.569 3.384 20 0 FGADHO OC1(C[NH2+][C@@H]2CCc3ccccc3C2)CCN(Cc2ccccc2)CC1 ZINC000397495309 499564447 /nfs/dbraw/zinc/56/44/47/499564447.db2.gz PQXBKERCVOIRPZ-JOCHJYFZSA-N 1 3 350.506 3.161 20 0 FGADHO CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000376318097 499599977 /nfs/dbraw/zinc/59/99/77/499599977.db2.gz FSEGSHPPCJDAPO-XMSQKQJNSA-N 1 3 365.521 3.437 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000582189919 506154969 /nfs/dbraw/zinc/15/49/69/506154969.db2.gz FQWAESFRZYDGRB-UHFFFAOYSA-N 1 3 357.542 3.273 20 0 FGADHO C[C@H](O)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3F)CC2)s1 ZINC000377539800 499701983 /nfs/dbraw/zinc/70/19/83/499701983.db2.gz FVTAVUMWOQELIE-AWEZNQCLSA-N 1 3 363.502 3.337 20 0 FGADHO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618134 499710875 /nfs/dbraw/zinc/71/08/75/499710875.db2.gz BKKORSDVAWRKEF-LJQANCHMSA-N 1 3 353.510 3.406 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626229 499712102 /nfs/dbraw/zinc/71/21/02/499712102.db2.gz MEAAAGDZOBJFSL-DENIHFKCSA-N 1 3 357.542 3.173 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626229 499712103 /nfs/dbraw/zinc/71/21/03/499712103.db2.gz MEAAAGDZOBJFSL-DENIHFKCSA-N 1 3 357.542 3.173 20 0 FGADHO CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278347 499720736 /nfs/dbraw/zinc/72/07/36/499720736.db2.gz AGKOFLMMRCOYFF-FCHUYYIVSA-N 1 3 372.553 3.424 20 0 FGADHO O=C1NCCCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411397512 499734046 /nfs/dbraw/zinc/73/40/46/499734046.db2.gz HROPNDMZYACLIV-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO CC(=O)N[C@@H](C)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411552225 499753945 /nfs/dbraw/zinc/75/39/45/499753945.db2.gz OWNUKARLXZRLJO-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO c1ncn(CC2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411575796 499765047 /nfs/dbraw/zinc/76/50/47/499765047.db2.gz WTIKNMGLAFTODB-UHFFFAOYSA-N 1 3 353.514 3.176 20 0 FGADHO CCc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)cc1 ZINC000414182236 499766580 /nfs/dbraw/zinc/76/65/80/499766580.db2.gz CXVOERSKOOSCTB-JOCHJYFZSA-N 1 3 373.585 3.332 20 0 FGADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414184300 499766657 /nfs/dbraw/zinc/76/66/57/499766657.db2.gz FPTNOTRHNVZPPX-FGZHOGPDSA-N 1 3 371.569 3.257 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000414286101 499774341 /nfs/dbraw/zinc/77/43/41/499774341.db2.gz ITCDLNYRSATSLX-APWZRJJASA-N 1 3 360.473 3.193 20 0 FGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414294226 499775195 /nfs/dbraw/zinc/77/51/95/499775195.db2.gz BSVXYHMQDGVMPF-UGKGYDQZSA-N 1 3 368.521 3.379 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000414337878 499778971 /nfs/dbraw/zinc/77/89/71/499778971.db2.gz JWDSSESYRUIJJA-VQTJNVASSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717648 499822476 /nfs/dbraw/zinc/82/24/76/499822476.db2.gz ZSVMGCQPFITQMB-CYBMUJFWSA-N 1 3 372.340 3.101 20 0 FGADHO COCCN(Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756216 499827083 /nfs/dbraw/zinc/82/70/83/499827083.db2.gz JDAPCLQYZXHBBY-CHWSQXEVSA-N 1 3 361.349 3.347 20 0 FGADHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777868 499830032 /nfs/dbraw/zinc/83/00/32/499830032.db2.gz INXVTPIHTLAQMO-HUUCEWRRSA-N 1 3 350.528 3.247 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414798437 499832441 /nfs/dbraw/zinc/83/24/41/499832441.db2.gz JBSYKVSIQNSVIA-DVOMOZLQSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414798437 499832442 /nfs/dbraw/zinc/83/24/42/499832442.db2.gz JBSYKVSIQNSVIA-DVOMOZLQSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCCNC1 ZINC000414853534 499838195 /nfs/dbraw/zinc/83/81/95/499838195.db2.gz KXJXGLVECOPKPH-LSDHHAIUSA-N 1 3 353.913 3.421 20 0 FGADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)CC[NH3+])cc1 ZINC000414894304 499842407 /nfs/dbraw/zinc/84/24/07/499842407.db2.gz KZDIZRMAPAVGTJ-QGZVFWFLSA-N 1 3 364.493 3.434 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414919527 499844659 /nfs/dbraw/zinc/84/46/59/499844659.db2.gz XGLQGKHTABGZTR-KXBFYZLASA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919527 499844661 /nfs/dbraw/zinc/84/46/61/499844661.db2.gz XGLQGKHTABGZTR-KXBFYZLASA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412329502 499845346 /nfs/dbraw/zinc/84/53/46/499845346.db2.gz BLVRTAPCXUGRIG-RXVVDRJESA-N 1 3 355.526 3.371 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004492 499853988 /nfs/dbraw/zinc/85/39/88/499853988.db2.gz OGAJXYKSZNZBQL-DOMZBBRYSA-N 1 3 363.303 3.446 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004146 499854140 /nfs/dbraw/zinc/85/41/40/499854140.db2.gz NWFXCVPUPQSFHY-SWLSCSKDSA-N 1 3 363.303 3.446 20 0 FGADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105705 499864213 /nfs/dbraw/zinc/86/42/13/499864213.db2.gz NDLJBDZSKWVVBO-DBXWQHBBSA-N 1 3 354.498 3.464 20 0 FGADHO CC(C)C[C@@H](N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105705 499864214 /nfs/dbraw/zinc/86/42/14/499864214.db2.gz NDLJBDZSKWVVBO-DBXWQHBBSA-N 1 3 354.498 3.464 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126357 499867020 /nfs/dbraw/zinc/86/70/20/499867020.db2.gz MAXGTXXICYRFIU-DLBZAZTESA-N 1 3 358.404 3.304 20 0 FGADHO Cc1ccc(NC(=O)NCC2([NH3+])CCCCCC2)c(OCCN(C)C)c1 ZINC000415202506 499876550 /nfs/dbraw/zinc/87/65/50/499876550.db2.gz IWEFDVXTINEMPB-UHFFFAOYSA-N 1 3 362.518 3.109 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415883498 499924147 /nfs/dbraw/zinc/92/41/47/499924147.db2.gz NRPDCDKMDVQFLH-PXNSSMCTSA-N 1 3 358.530 3.354 20 0 FGADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC000415884681 499924507 /nfs/dbraw/zinc/92/45/07/499924507.db2.gz QNTARFOSRMVTHE-QGZVFWFLSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000415884681 499924509 /nfs/dbraw/zinc/92/45/09/499924509.db2.gz QNTARFOSRMVTHE-QGZVFWFLSA-N 1 3 366.509 3.364 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887681 499924627 /nfs/dbraw/zinc/92/46/27/499924627.db2.gz XUKVTSZKSSEGBS-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415909379 499927478 /nfs/dbraw/zinc/92/74/78/499927478.db2.gz FWSSYRGZDKTJTJ-IBGZPJMESA-N 1 3 352.482 3.144 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954621 499932930 /nfs/dbraw/zinc/93/29/30/499932930.db2.gz KXFLEDOOJAOKHK-MLGOLLRUSA-N 1 3 372.435 3.358 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954621 499932931 /nfs/dbraw/zinc/93/29/31/499932931.db2.gz KXFLEDOOJAOKHK-MLGOLLRUSA-N 1 3 372.435 3.358 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000415962194 499934135 /nfs/dbraw/zinc/93/41/35/499934135.db2.gz WSORERBWLMXCBS-UHFFFAOYSA-N 1 3 366.509 3.017 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965984 499934767 /nfs/dbraw/zinc/93/47/67/499934767.db2.gz FZXLZEIQINVGGU-GFCCVEGCSA-N 1 3 358.408 3.160 20 0 FGADHO CCN(CC)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000415966453 499935050 /nfs/dbraw/zinc/93/50/50/499935050.db2.gz ZQKMWPSNFXBKNE-HXUWFJFHSA-N 1 3 370.497 3.359 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974737 499936088 /nfs/dbraw/zinc/93/60/88/499936088.db2.gz SASZXYVMFRPRGL-XHDPSFHLSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974737 499936089 /nfs/dbraw/zinc/93/60/89/499936089.db2.gz SASZXYVMFRPRGL-XHDPSFHLSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCN1C ZINC000415974737 499936090 /nfs/dbraw/zinc/93/60/90/499936090.db2.gz SASZXYVMFRPRGL-XHDPSFHLSA-N 1 3 358.408 3.111 20 0 FGADHO Cc1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000416171713 499967269 /nfs/dbraw/zinc/96/72/69/499967269.db2.gz RRSCLLIZDZZAFM-IBGZPJMESA-N 1 3 369.513 3.090 20 0 FGADHO Cc1cc(NC(=O)CCN2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000416243549 499993376 /nfs/dbraw/zinc/99/33/76/499993376.db2.gz BGFVMVCOBRKMLF-UHFFFAOYSA-N 1 3 351.494 3.444 20 0 FGADHO CCS(=O)(=O)c1c(Cl)cccc1CNC1CCC([NH+](C)C)CC1 ZINC000421379870 500032636 /nfs/dbraw/zinc/03/26/36/500032636.db2.gz XPHNWOXBYKCJIS-UHFFFAOYSA-N 1 3 358.935 3.096 20 0 FGADHO C[NH+](C)C1CCC(NCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000421383546 500033707 /nfs/dbraw/zinc/03/37/07/500033707.db2.gz ZGVHCZPNUMIXFE-UHFFFAOYSA-N 1 3 351.922 3.139 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N(CC)CC)C1CC[NH2+]CC1 ZINC000416842170 500135570 /nfs/dbraw/zinc/13/55/70/500135570.db2.gz MTDINIIUXXAVTG-FQEVSTJZSA-N 1 3 360.546 3.243 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842041 500135605 /nfs/dbraw/zinc/13/56/05/500135605.db2.gz MOGJXAOBYJZFHI-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417686443 500148611 /nfs/dbraw/zinc/14/86/11/500148611.db2.gz GLIZCQNMWRQUDV-ZHALLVOQSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417687391 500149499 /nfs/dbraw/zinc/14/94/99/500149499.db2.gz HRNDUHPUUITGGJ-FHWLQOOXSA-N 1 3 372.557 3.276 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417687392 500149678 /nfs/dbraw/zinc/14/96/78/500149678.db2.gz HRNDUHPUUITGGJ-GUDVDZBRSA-N 1 3 372.557 3.276 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000417699174 500151663 /nfs/dbraw/zinc/15/16/63/500151663.db2.gz YWVXHMDXDWLBCG-GOSISDBHSA-N 1 3 372.557 3.243 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417699335 500151695 /nfs/dbraw/zinc/15/16/95/500151695.db2.gz FOUVQHRXUICTQT-HXUWFJFHSA-N 1 3 360.546 3.204 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417698306 500151816 /nfs/dbraw/zinc/15/18/16/500151816.db2.gz XNDKZWHMRIIJKD-LAUBAEHRSA-N 1 3 366.509 3.211 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421819591 500158635 /nfs/dbraw/zinc/15/86/35/500158635.db2.gz HWZVNCIOXPCYOZ-HXUWFJFHSA-N 1 3 351.510 3.149 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000416935550 500160731 /nfs/dbraw/zinc/16/07/31/500160731.db2.gz GPMMMQHCFORONE-HXUWFJFHSA-N 1 3 360.546 3.229 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417743841 500162285 /nfs/dbraw/zinc/16/22/85/500162285.db2.gz DHGJAMVBXPVYIH-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO COc1ccccc1-n1nccc1CNCCCC[NH+]1CCC(C)CC1 ZINC000430023573 500182566 /nfs/dbraw/zinc/18/25/66/500182566.db2.gz XUDPLZVJHQFJOG-UHFFFAOYSA-N 1 3 356.514 3.483 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463573 506181561 /nfs/dbraw/zinc/18/15/61/506181561.db2.gz ZXKCJLAYUOQHHF-QUCCMNQESA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463573 506181562 /nfs/dbraw/zinc/18/15/62/506181562.db2.gz ZXKCJLAYUOQHHF-QUCCMNQESA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463573 506181563 /nfs/dbraw/zinc/18/15/63/506181563.db2.gz ZXKCJLAYUOQHHF-QUCCMNQESA-N 1 3 368.949 3.175 20 0 FGADHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950065 500215809 /nfs/dbraw/zinc/21/58/09/500215809.db2.gz IRIVXZBTDZGXCO-FDFHNCONSA-N 1 3 372.553 3.320 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151961 500238312 /nfs/dbraw/zinc/23/83/12/500238312.db2.gz GINFAGGSEGIZML-LJQANCHMSA-N 1 3 372.557 3.248 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154267 500238722 /nfs/dbraw/zinc/23/87/22/500238722.db2.gz JMVSLZZKZNFCOJ-VQTJNVASSA-N 1 3 372.557 3.119 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000418191377 500246261 /nfs/dbraw/zinc/24/62/61/500246261.db2.gz KPLMVJQKGVKEGA-XGHQBKJUSA-N 1 3 366.509 3.169 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418348213 500266741 /nfs/dbraw/zinc/26/67/41/500266741.db2.gz IVOUXZBCTNXQIF-HXUWFJFHSA-N 1 3 360.546 3.327 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352611 500266935 /nfs/dbraw/zinc/26/69/35/500266935.db2.gz MUNSWDDDQYWDCW-RTWAWAEBSA-N 1 3 372.557 3.470 20 0 FGADHO Cc1nc2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422822 500271071 /nfs/dbraw/zinc/27/10/71/500271071.db2.gz YCCSFSBOQXDYSX-HNAYVOBHSA-N 1 3 358.555 3.063 20 0 FGADHO Cc1nc2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422822 500271072 /nfs/dbraw/zinc/27/10/72/500271072.db2.gz YCCSFSBOQXDYSX-HNAYVOBHSA-N 1 3 358.555 3.063 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430749417 500279249 /nfs/dbraw/zinc/27/92/49/500279249.db2.gz JNOALMZWHSKYBZ-PGRDOPGGSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430749417 500279251 /nfs/dbraw/zinc/27/92/51/500279251.db2.gz JNOALMZWHSKYBZ-PGRDOPGGSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640952 500285114 /nfs/dbraw/zinc/28/51/14/500285114.db2.gz WPTCEWPSBLNAHS-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1CN ZINC000422640952 500285116 /nfs/dbraw/zinc/28/51/16/500285116.db2.gz WPTCEWPSBLNAHS-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1CN ZINC000422640952 500285117 /nfs/dbraw/zinc/28/51/17/500285117.db2.gz WPTCEWPSBLNAHS-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2)cc1F ZINC000422641648 500285290 /nfs/dbraw/zinc/28/52/90/500285290.db2.gz YETDHZWQKPNBKH-VYDXJSESSA-N 1 3 360.477 3.422 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCCN1 ZINC000422701811 500287135 /nfs/dbraw/zinc/28/71/35/500287135.db2.gz CPHKCXGHOHIXFJ-DZKIICNBSA-N 1 3 352.320 3.148 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704326 500287745 /nfs/dbraw/zinc/28/77/45/500287745.db2.gz KJHVUYVLJREENO-CZUORRHYSA-N 1 3 373.360 3.278 20 0 FGADHO C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708507 500287839 /nfs/dbraw/zinc/28/78/39/500287839.db2.gz IXFKZTDDOQQHEL-RDTXWAMCSA-N 1 3 355.448 3.400 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707514 500287859 /nfs/dbraw/zinc/28/78/59/500287859.db2.gz AGQHYBXSFIAMJO-BHIFYINESA-N 1 3 353.510 3.430 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704686 500288020 /nfs/dbraw/zinc/28/80/20/500288020.db2.gz QFZSTNJQOSLAFP-PGRDOPGGSA-N 1 3 351.538 3.371 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704686 500288022 /nfs/dbraw/zinc/28/80/22/500288022.db2.gz QFZSTNJQOSLAFP-PGRDOPGGSA-N 1 3 351.538 3.371 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711481 500288679 /nfs/dbraw/zinc/28/86/79/500288679.db2.gz MSMIXQCURJUGGK-SQWLQELKSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422711481 500288680 /nfs/dbraw/zinc/28/86/80/500288680.db2.gz MSMIXQCURJUGGK-SQWLQELKSA-N 1 3 352.320 3.135 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719271 500289310 /nfs/dbraw/zinc/28/93/10/500289310.db2.gz YFWXEYVNZCPNOF-LXZKKBNFSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422719271 500289312 /nfs/dbraw/zinc/28/93/12/500289312.db2.gz YFWXEYVNZCPNOF-LXZKKBNFSA-N 1 3 352.320 3.135 20 0 FGADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418550290 500290692 /nfs/dbraw/zinc/29/06/92/500290692.db2.gz GSOAFNDVOKXLCQ-LJQANCHMSA-N 1 3 370.541 3.087 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734022 500291261 /nfs/dbraw/zinc/29/12/61/500291261.db2.gz BZALKJQPVDROFO-WIYYLYMNSA-N 1 3 359.558 3.044 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734165 500291340 /nfs/dbraw/zinc/29/13/40/500291340.db2.gz SCWPBIMMGCMFOA-KTGAGVNESA-N 1 3 353.432 3.152 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797249 500299087 /nfs/dbraw/zinc/29/90/87/500299087.db2.gz LRMNXLHUQGUPOQ-YYFZDKIDSA-N 1 3 364.892 3.178 20 0 FGADHO c1ccc2c(c1)CCN2CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812333 500301127 /nfs/dbraw/zinc/30/11/27/500301127.db2.gz XLMLBYNMBVGGRT-NZQKXSOJSA-N 1 3 363.505 3.285 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430928989 500308469 /nfs/dbraw/zinc/30/84/69/500308469.db2.gz VXXCIBUUMVXLPA-DLBZAZTESA-N 1 3 353.510 3.337 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877580 500309602 /nfs/dbraw/zinc/30/96/02/500309602.db2.gz IBXNTEPDAWGLAJ-XHSDSOJGSA-N 1 3 354.441 3.349 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877579 500309648 /nfs/dbraw/zinc/30/96/48/500309648.db2.gz IBXNTEPDAWGLAJ-OAGGEKHMSA-N 1 3 354.441 3.349 20 0 FGADHO C[C@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961162 500313819 /nfs/dbraw/zinc/31/38/19/500313819.db2.gz MTCUBIRLQAPCOE-OXJNMPFZSA-N 1 3 353.466 3.477 20 0 FGADHO Fc1ccc(CN2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000422904640 500314154 /nfs/dbraw/zinc/31/41/54/500314154.db2.gz HEIJXQQTJDVGCC-SOABOVLPSA-N 1 3 351.897 3.316 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H](C)[C@H]3CCCCN3)CC2)cs1 ZINC000422915121 500316307 /nfs/dbraw/zinc/31/63/07/500316307.db2.gz XERJXBJOAIBIQV-MAUKXSAKSA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(CN[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422915121 500316310 /nfs/dbraw/zinc/31/63/10/500316310.db2.gz XERJXBJOAIBIQV-MAUKXSAKSA-N 1 3 350.576 3.038 20 0 FGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375622 500368228 /nfs/dbraw/zinc/36/82/28/500368228.db2.gz UKEZIVMQYYKVCD-ZMLRMANQSA-N 1 3 362.230 3.351 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422930735 500319198 /nfs/dbraw/zinc/31/91/98/500319198.db2.gz VRVBLBOXWTVMBI-XKGZKEIXSA-N 1 3 361.530 3.150 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422938467 500319657 /nfs/dbraw/zinc/31/96/57/500319657.db2.gz PPLPKUJSWVPSJC-LEWJYISDSA-N 1 3 367.493 3.024 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768411 500320875 /nfs/dbraw/zinc/32/08/75/500320875.db2.gz MBHMTWDGFKYZRI-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)n1cc2c(n1)C[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000422948110 500321867 /nfs/dbraw/zinc/32/18/67/500321867.db2.gz ZSBAOIZRACZICI-ZNLUXHQJSA-N 1 3 366.509 3.167 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952643 500323334 /nfs/dbraw/zinc/32/33/34/500323334.db2.gz BTEQAAPJWRUWSR-OAHLLOKOSA-N 1 3 373.545 3.006 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422955036 500323387 /nfs/dbraw/zinc/32/33/87/500323387.db2.gz KMICPTKOVPTRLQ-ZFWWWQNUSA-N 1 3 368.319 3.206 20 0 FGADHO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000422964280 500324715 /nfs/dbraw/zinc/32/47/15/500324715.db2.gz IDQKPOKTBGKRGZ-AVRDEDQJSA-N 1 3 367.537 3.272 20 0 FGADHO C[NH2+]C[C@@H](C)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000431030887 500326104 /nfs/dbraw/zinc/32/61/04/500326104.db2.gz SNDFZFPMVSEUBZ-LJQANCHMSA-N 1 3 353.510 3.003 20 0 FGADHO Cn1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064108 500337526 /nfs/dbraw/zinc/33/75/26/500337526.db2.gz QLASPXQVAKGYOQ-GBESFXJTSA-N 1 3 361.917 3.121 20 0 FGADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCCC[C@H]3N)c2)n1 ZINC000423082205 500339725 /nfs/dbraw/zinc/33/97/25/500339725.db2.gz WMMNAMOKEHYHOO-HZPDHXFCSA-N 1 3 359.495 3.346 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108210 500342977 /nfs/dbraw/zinc/34/29/77/500342977.db2.gz FSIWKNDEEGDSQU-GIVPXCGWSA-N 1 3 357.542 3.121 20 0 FGADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143882 500347659 /nfs/dbraw/zinc/34/76/59/500347659.db2.gz FHNQFJYLTNNYCW-RCCFBDPRSA-N 1 3 370.946 3.014 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000423151571 500348738 /nfs/dbraw/zinc/34/87/38/500348738.db2.gz CRQNZPGCMTWNCM-UONOGXRCSA-N 1 3 373.497 3.156 20 0 FGADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166016 500350803 /nfs/dbraw/zinc/35/08/03/500350803.db2.gz YXYXCXIQOCYKMB-CZTZKLFOSA-N 1 3 352.478 3.090 20 0 FGADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371061 500368219 /nfs/dbraw/zinc/36/82/19/500368219.db2.gz AGFVZXIGHUNLIO-JQWIXIFHSA-N 1 3 355.857 3.278 20 0 FGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccccc1I ZINC000423465945 500376400 /nfs/dbraw/zinc/37/64/00/500376400.db2.gz AENZIDUNTUBPKC-OLZOCXBDSA-N 1 3 358.267 3.474 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000423476225 500377219 /nfs/dbraw/zinc/37/72/19/500377219.db2.gz QXODQAJTSUILJN-MXASKKJJSA-N 1 3 360.395 3.218 20 0 FGADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423481936 500378252 /nfs/dbraw/zinc/37/82/52/500378252.db2.gz XDGYXNYCUDYPPJ-SQRAORDBSA-N 1 3 362.489 3.086 20 0 FGADHO COc1cccc2c1CC[C@H]2NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423541248 500383742 /nfs/dbraw/zinc/38/37/42/500383742.db2.gz ANMVKRSBUZPKRF-OAQYLSRUSA-N 1 3 365.521 3.266 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000423651646 500392517 /nfs/dbraw/zinc/39/25/17/500392517.db2.gz VZWZPTBRGWBCDA-AWEZNQCLSA-N 1 3 361.436 3.189 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2NCCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910734 500418572 /nfs/dbraw/zinc/41/85/72/500418572.db2.gz VERFXEGEKXWINU-MISYRCLQSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2NCCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910734 500418574 /nfs/dbraw/zinc/41/85/74/500418574.db2.gz VERFXEGEKXWINU-MISYRCLQSA-N 1 3 357.542 3.182 20 0 FGADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cc1 ZINC000431763810 500421472 /nfs/dbraw/zinc/42/14/72/500421472.db2.gz XJURVKHHIKBGSY-NRFANRHFSA-N 1 3 373.541 3.040 20 0 FGADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000431763810 500421473 /nfs/dbraw/zinc/42/14/73/500421473.db2.gz XJURVKHHIKBGSY-NRFANRHFSA-N 1 3 373.541 3.040 20 0 FGADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000431763810 500421477 /nfs/dbraw/zinc/42/14/77/500421477.db2.gz XJURVKHHIKBGSY-NRFANRHFSA-N 1 3 373.541 3.040 20 0 FGADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420298446 500436458 /nfs/dbraw/zinc/43/64/58/500436458.db2.gz FHPJSNASLZWZOT-JOCHJYFZSA-N 1 3 353.510 3.245 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297896 500436747 /nfs/dbraw/zinc/43/67/47/500436747.db2.gz DUCKEQGCTSGLCD-UYAOXDASSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297896 500436750 /nfs/dbraw/zinc/43/67/50/500436750.db2.gz DUCKEQGCTSGLCD-UYAOXDASSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297896 500436753 /nfs/dbraw/zinc/43/67/53/500436753.db2.gz DUCKEQGCTSGLCD-UYAOXDASSA-N 1 3 368.477 3.346 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299949 500437014 /nfs/dbraw/zinc/43/70/14/500437014.db2.gz BYHRAXCUBGWFPG-XFBWCDHKSA-N 1 3 357.267 3.026 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302462 500437663 /nfs/dbraw/zinc/43/76/63/500437663.db2.gz MHXLPXVISYNZHL-FXAWDEMLSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302462 500437665 /nfs/dbraw/zinc/43/76/65/500437665.db2.gz MHXLPXVISYNZHL-FXAWDEMLSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302462 500437668 /nfs/dbraw/zinc/43/76/68/500437668.db2.gz MHXLPXVISYNZHL-FXAWDEMLSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326415 500442099 /nfs/dbraw/zinc/44/20/99/500442099.db2.gz JXCNZIWXSBAQIV-UAGQMJEPSA-N 1 3 356.470 3.128 20 0 FGADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884788 500442651 /nfs/dbraw/zinc/44/26/51/500442651.db2.gz HEESBUKEVJTIPN-TUFLPTIASA-N 1 3 350.510 3.088 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340149 500444897 /nfs/dbraw/zinc/44/48/97/500444897.db2.gz MSOOQJBYQJNIEX-ACRUOGEOSA-N 1 3 357.542 3.212 20 0 FGADHO CCC[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344272 500445565 /nfs/dbraw/zinc/44/55/65/500445565.db2.gz SJOISRKNTJAWFA-VMXMFDLUSA-N 1 3 357.542 3.354 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367904 500448511 /nfs/dbraw/zinc/44/85/11/500448511.db2.gz AJFJBBXBTMPYIY-ROUUACIJSA-N 1 3 356.869 3.076 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420374934 500449874 /nfs/dbraw/zinc/44/98/74/500449874.db2.gz IDSZLSGZWWTTAE-IBGZPJMESA-N 1 3 371.529 3.140 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420374934 500449876 /nfs/dbraw/zinc/44/98/76/500449876.db2.gz IDSZLSGZWWTTAE-IBGZPJMESA-N 1 3 371.529 3.140 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381890 500451569 /nfs/dbraw/zinc/45/15/69/500451569.db2.gz PFUYLYHLHAPLHC-WMZOPIPTSA-N 1 3 372.431 3.303 20 0 FGADHO CC(C)c1ccc([C@H](C)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411136 500457463 /nfs/dbraw/zinc/45/74/63/500457463.db2.gz XFJYUQMEDIBUQO-ORYQWCPZSA-N 1 3 370.541 3.091 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421317 500458004 /nfs/dbraw/zinc/45/80/04/500458004.db2.gz YQPHKLVTTJYFEW-VQIMIIECSA-N 1 3 350.466 3.274 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421317 500458006 /nfs/dbraw/zinc/45/80/06/500458006.db2.gz YQPHKLVTTJYFEW-VQIMIIECSA-N 1 3 350.466 3.274 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000428146795 500474554 /nfs/dbraw/zinc/47/45/54/500474554.db2.gz CGUMJBVFKIEICB-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380651 500494522 /nfs/dbraw/zinc/49/45/22/500494522.db2.gz QDBZWAFELRMXFR-CYBMUJFWSA-N 1 3 353.304 3.422 20 0 FGADHO C[C@H]1CN(CCC[NH2+]CC(C)(C)CN(C)Cc2ccccc2)CCCO1 ZINC000432353480 500503871 /nfs/dbraw/zinc/50/38/71/500503871.db2.gz MELAOFXNUCLJBK-FQEVSTJZSA-N 1 3 361.574 3.235 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987567 500701636 /nfs/dbraw/zinc/70/16/36/500701636.db2.gz LBVJZPDEVWCPDJ-FQEVSTJZSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000448235573 500737246 /nfs/dbraw/zinc/73/72/46/500737246.db2.gz YUQMQFADIXRUHY-LAUBAEHRSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000448235573 500737248 /nfs/dbraw/zinc/73/72/48/500737248.db2.gz YUQMQFADIXRUHY-LAUBAEHRSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443598519 500744001 /nfs/dbraw/zinc/74/40/01/500744001.db2.gz BXTXOXRFIKXDEC-HXUWFJFHSA-N 1 3 371.569 3.322 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000448469125 500762381 /nfs/dbraw/zinc/76/23/81/500762381.db2.gz XRAVWHXWRBSFRM-IBGZPJMESA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000448469125 500762383 /nfs/dbraw/zinc/76/23/83/500762383.db2.gz XRAVWHXWRBSFRM-IBGZPJMESA-N 1 3 364.578 3.014 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000433945575 500768956 /nfs/dbraw/zinc/76/89/56/500768956.db2.gz IKEGBOGMBRMBKU-NRFANRHFSA-N 1 3 370.541 3.099 20 0 FGADHO Cc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1Cl ZINC000443987865 500787646 /nfs/dbraw/zinc/78/76/46/500787646.db2.gz YGINKPOOHHBENA-FQEVSTJZSA-N 1 3 373.928 3.027 20 0 FGADHO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482294 500790991 /nfs/dbraw/zinc/79/09/91/500790991.db2.gz KSTXEWDGBMMXJK-AZUAARDMSA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482294 500790993 /nfs/dbraw/zinc/79/09/93/500790993.db2.gz KSTXEWDGBMMXJK-AZUAARDMSA-N 1 3 357.542 3.134 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc4ccccc4s3)CC2)CC1 ZINC000448836294 500847967 /nfs/dbraw/zinc/84/79/67/500847967.db2.gz PGJIJBTVDBPQKU-UHFFFAOYSA-N 1 3 371.550 3.119 20 0 FGADHO C[C@H](CNCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063303 500915401 /nfs/dbraw/zinc/91/54/01/500915401.db2.gz OVCHPXCWHAKIJN-SJORKVTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](CNCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063303 500915402 /nfs/dbraw/zinc/91/54/02/500915402.db2.gz OVCHPXCWHAKIJN-SJORKVTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](C[NH2+]CCCN1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063303 500915403 /nfs/dbraw/zinc/91/54/03/500915403.db2.gz OVCHPXCWHAKIJN-SJORKVTESA-N 1 3 352.544 3.048 20 0 FGADHO CC(C)[C@@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070437 500917288 /nfs/dbraw/zinc/91/72/88/500917288.db2.gz KFCMFEOYUKDDBR-NFBKMPQASA-N 1 3 373.585 3.028 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000449090671 500921985 /nfs/dbraw/zinc/92/19/85/500921985.db2.gz ODMZWSKZILFMCY-JFIYKMOQSA-N 1 3 350.503 3.071 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379589 500963742 /nfs/dbraw/zinc/96/37/42/500963742.db2.gz JUNDVIRGXCUBEE-SLFFLAALSA-N 1 3 367.493 3.228 20 0 FGADHO C[NH2+]CC1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435389873 500966624 /nfs/dbraw/zinc/96/66/24/500966624.db2.gz OWKBBCYARKVGEH-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449357155 500985573 /nfs/dbraw/zinc/98/55/73/500985573.db2.gz BUZDFLKFJDIEGD-UCNVEGJOSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449357155 500985576 /nfs/dbraw/zinc/98/55/76/500985576.db2.gz BUZDFLKFJDIEGD-UCNVEGJOSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449357155 500985579 /nfs/dbraw/zinc/98/55/79/500985579.db2.gz BUZDFLKFJDIEGD-UCNVEGJOSA-N 1 3 356.485 3.229 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000449395440 500992896 /nfs/dbraw/zinc/99/28/96/500992896.db2.gz IYNGBUGCQRAYKS-UHFFFAOYSA-N 1 3 352.526 3.291 20 0 FGADHO CN(c1ccccc1C[NH2+]CC1(CF)CCOCC1)C1CCN(C)CC1 ZINC000449488563 501015893 /nfs/dbraw/zinc/01/58/93/501015893.db2.gz IKCWHMNIPHNFGJ-UHFFFAOYSA-N 1 3 363.521 3.073 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017621 /nfs/dbraw/zinc/01/76/21/501017621.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 1 3 357.542 3.070 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017624 /nfs/dbraw/zinc/01/76/24/501017624.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 1 3 357.542 3.070 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000436288223 501102522 /nfs/dbraw/zinc/10/25/22/501102522.db2.gz DUBUEXDNYZZNLS-QFIPXVFZSA-N 1 3 373.585 3.070 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000436304168 501104778 /nfs/dbraw/zinc/10/47/78/501104778.db2.gz CZHTVIMZROYFNT-NXNFSMPISA-N 1 3 356.510 3.218 20 0 FGADHO COC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000446750655 501161064 /nfs/dbraw/zinc/16/10/64/501161064.db2.gz HOXNPQJXTNLPMP-JOCHJYFZSA-N 1 3 359.558 3.384 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640437 501172839 /nfs/dbraw/zinc/17/28/39/501172839.db2.gz MDPJSPKMELDCSK-AVRDEDQJSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640437 501172842 /nfs/dbraw/zinc/17/28/42/501172842.db2.gz MDPJSPKMELDCSK-AVRDEDQJSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCN1C ZINC000607722325 506239351 /nfs/dbraw/zinc/23/93/51/506239351.db2.gz YMGCJFKVGVDION-PXNSSMCTSA-N 1 3 358.530 3.319 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000446986680 501191802 /nfs/dbraw/zinc/19/18/02/501191802.db2.gz KCPASYOKDRGOMI-GOSISDBHSA-N 1 3 353.510 3.255 20 0 FGADHO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccnc4ccccc43)C2)cc(OC)c1 ZINC000447058887 501198371 /nfs/dbraw/zinc/19/83/71/501198371.db2.gz JQMUECTZJGKVRW-QGZVFWFLSA-N 1 3 363.461 3.360 20 0 FGADHO COc1cc(C[N@H+]2CC[C@@H](Nc3ccnc4ccccc43)C2)cc(OC)c1 ZINC000447058887 501198373 /nfs/dbraw/zinc/19/83/73/501198373.db2.gz JQMUECTZJGKVRW-QGZVFWFLSA-N 1 3 363.461 3.360 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000453071959 501262882 /nfs/dbraw/zinc/26/28/82/501262882.db2.gz MVUYHVTVAFAWPZ-VAMGGRTRSA-N 1 3 367.493 3.042 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000453071959 501262883 /nfs/dbraw/zinc/26/28/83/501262883.db2.gz MVUYHVTVAFAWPZ-VAMGGRTRSA-N 1 3 367.493 3.042 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287833 501309199 /nfs/dbraw/zinc/30/91/99/501309199.db2.gz OPVYVFPJKFRCQT-HOCLYGCPSA-N 1 3 359.436 3.327 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000458157336 501381279 /nfs/dbraw/zinc/38/12/79/501381279.db2.gz UTYPTSMWCXETDG-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000458157336 501381281 /nfs/dbraw/zinc/38/12/81/501381281.db2.gz UTYPTSMWCXETDG-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455937356 501420654 /nfs/dbraw/zinc/42/06/54/501420654.db2.gz SHOHWYLZQVXXPN-HXUWFJFHSA-N 1 3 370.497 3.424 20 0 FGADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N1CCC(C)CC1 ZINC000455947594 501423531 /nfs/dbraw/zinc/42/35/31/501423531.db2.gz XMSPPZVUYDTLPM-OXQOHEQNSA-N 1 3 358.530 3.477 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367862 501428482 /nfs/dbraw/zinc/42/84/82/501428482.db2.gz IIVWOEZIWIPPCM-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367862 501428485 /nfs/dbraw/zinc/42/84/85/501428485.db2.gz IIVWOEZIWIPPCM-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000458788394 501531919 /nfs/dbraw/zinc/53/19/19/501531919.db2.gz YCBHJNPITLCBCS-NSHGMRRFSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000458788394 501531920 /nfs/dbraw/zinc/53/19/20/501531920.db2.gz YCBHJNPITLCBCS-NSHGMRRFSA-N 1 3 360.546 3.110 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458792339 501532583 /nfs/dbraw/zinc/53/25/83/501532583.db2.gz QSMPFAXDTTVLJT-QAPCUYQASA-N 1 3 366.575 3.039 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458792339 501532586 /nfs/dbraw/zinc/53/25/86/501532586.db2.gz QSMPFAXDTTVLJT-QAPCUYQASA-N 1 3 366.575 3.039 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619991 501594072 /nfs/dbraw/zinc/59/40/72/501594072.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619991 501594074 /nfs/dbraw/zinc/59/40/74/501594074.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCOC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007302 501599781 /nfs/dbraw/zinc/59/97/81/501599781.db2.gz CWZMYCRQJSWZSP-LEWJYISDSA-N 1 3 360.542 3.006 20 0 FGADHO CCOC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007302 501599785 /nfs/dbraw/zinc/59/97/85/501599785.db2.gz CWZMYCRQJSWZSP-LEWJYISDSA-N 1 3 360.542 3.006 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459270008 501622732 /nfs/dbraw/zinc/62/27/32/501622732.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459270008 501622734 /nfs/dbraw/zinc/62/27/34/501622734.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273304 501623273 /nfs/dbraw/zinc/62/32/73/501623273.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273304 501623275 /nfs/dbraw/zinc/62/32/75/501623275.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459327143 501631691 /nfs/dbraw/zinc/63/16/91/501631691.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459327143 501631692 /nfs/dbraw/zinc/63/16/92/501631692.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000457058073 501642806 /nfs/dbraw/zinc/64/28/06/501642806.db2.gz VNYDHGOMHCSDCP-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459411014 501649290 /nfs/dbraw/zinc/64/92/90/501649290.db2.gz PWGRLQQTBSYEOZ-GHTZIAJQSA-N 1 3 350.510 3.476 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000457480849 501706786 /nfs/dbraw/zinc/70/67/86/501706786.db2.gz NYVYKBCNQJPBEF-IBGZPJMESA-N 1 3 362.562 3.271 20 0 FGADHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784020 501713556 /nfs/dbraw/zinc/71/35/56/501713556.db2.gz NWIRFBAWOUQPRV-AWEZNQCLSA-N 1 3 372.456 3.169 20 0 FGADHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784020 501713558 /nfs/dbraw/zinc/71/35/58/501713558.db2.gz NWIRFBAWOUQPRV-AWEZNQCLSA-N 1 3 372.456 3.169 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457516554 501714942 /nfs/dbraw/zinc/71/49/42/501714942.db2.gz JEHZWNPXWDHZSR-UHFFFAOYSA-N 1 3 370.541 3.396 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457535007 501718133 /nfs/dbraw/zinc/71/81/33/501718133.db2.gz SKJQQXMYPCZTAP-JOCHJYFZSA-N 1 3 372.557 3.156 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535062 501718312 /nfs/dbraw/zinc/71/83/12/501718312.db2.gz SVQQFTBOVPSATN-OAQYLSRUSA-N 1 3 372.557 3.297 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311138 501740418 /nfs/dbraw/zinc/74/04/18/501740418.db2.gz KTHBUGKUGPGILF-PZJWPPBQSA-N 1 3 374.573 3.299 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000467384281 501782901 /nfs/dbraw/zinc/78/29/01/501782901.db2.gz WMMPVMWJZJFWGV-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467384281 501782906 /nfs/dbraw/zinc/78/29/06/501782906.db2.gz WMMPVMWJZJFWGV-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467384281 501782907 /nfs/dbraw/zinc/78/29/07/501782907.db2.gz WMMPVMWJZJFWGV-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO CCN(CC)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465551 501828344 /nfs/dbraw/zinc/82/83/44/501828344.db2.gz ISMYGZHHBRRPFB-IBGZPJMESA-N 1 3 357.542 3.231 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470885624 501842605 /nfs/dbraw/zinc/84/26/05/501842605.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470885624 501842611 /nfs/dbraw/zinc/84/26/11/501842611.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478015648 501854370 /nfs/dbraw/zinc/85/43/70/501854370.db2.gz KGYGWGUVVRHUBU-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2sccc2c1 ZINC000471021732 501892942 /nfs/dbraw/zinc/89/29/42/501892942.db2.gz JYBRRQOUACQZCM-GOSISDBHSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2sccc2c1 ZINC000471021732 501892948 /nfs/dbraw/zinc/89/29/48/501892948.db2.gz JYBRRQOUACQZCM-GOSISDBHSA-N 1 3 359.539 3.389 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023064 501932446 /nfs/dbraw/zinc/93/24/46/501932446.db2.gz VDYGVJQGXCSUKE-IRFCIJBXSA-N 1 3 374.573 3.488 20 0 FGADHO C[NH+](C)CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000468024233 501933473 /nfs/dbraw/zinc/93/34/73/501933473.db2.gz JJDQRDMUJWGLFE-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000460879087 501948208 /nfs/dbraw/zinc/94/82/08/501948208.db2.gz IOOAHYGIRAFMQY-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468116504 501961777 /nfs/dbraw/zinc/96/17/77/501961777.db2.gz FWRYYLVHHPJQKZ-MJGOQNOKSA-N 1 3 363.571 3.013 20 0 FGADHO Fc1ccc(-n2nccc2C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000474876863 501978207 /nfs/dbraw/zinc/97/82/07/501978207.db2.gz GNZUZXQVAHLRAH-UHFFFAOYSA-N 1 3 365.456 3.413 20 0 FGADHO CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000468413442 502051984 /nfs/dbraw/zinc/05/19/84/502051984.db2.gz VUGHEEMGTSPCGJ-PZJWPPBQSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000468413442 502051990 /nfs/dbraw/zinc/05/19/90/502051990.db2.gz VUGHEEMGTSPCGJ-PZJWPPBQSA-N 1 3 359.558 3.323 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430293 502057237 /nfs/dbraw/zinc/05/72/37/502057237.db2.gz SYUSKJOTAWIJSZ-GUDVDZBRSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430293 502057239 /nfs/dbraw/zinc/05/72/39/502057239.db2.gz SYUSKJOTAWIJSZ-GUDVDZBRSA-N 1 3 357.542 3.408 20 0 FGADHO Cc1ccccc1[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000475136458 502075592 /nfs/dbraw/zinc/07/55/92/502075592.db2.gz HSMCZQLKROVPTI-GGAORHGYSA-N 1 3 365.521 3.455 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140327 502076881 /nfs/dbraw/zinc/07/68/81/502076881.db2.gz RYWNOHAXCRJXKQ-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)c1ccccc1 ZINC000475141231 502077888 /nfs/dbraw/zinc/07/78/88/502077888.db2.gz VOVOKWZLVXYNGH-RXVVDRJESA-N 1 3 367.537 3.361 20 0 FGADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C1CC1)N1CCCC1 ZINC000461467836 502125655 /nfs/dbraw/zinc/12/56/55/502125655.db2.gz VQXLFNHWTVYABB-IRLDBZIGSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C1CC1)N1CCCC1 ZINC000461467836 502125659 /nfs/dbraw/zinc/12/56/59/502125659.db2.gz VQXLFNHWTVYABB-IRLDBZIGSA-N 1 3 369.553 3.279 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871586 502131645 /nfs/dbraw/zinc/13/16/45/502131645.db2.gz HOWKIUUXGYFRCP-HOTGVXAUSA-N 1 3 365.949 3.364 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000461728499 502181959 /nfs/dbraw/zinc/18/19/59/502181959.db2.gz PAHXAIKTLUXETE-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000461790663 502202913 /nfs/dbraw/zinc/20/29/13/502202913.db2.gz JDEOELMKKHDEHC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000461790663 502202920 /nfs/dbraw/zinc/20/29/20/502202920.db2.gz JDEOELMKKHDEHC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CC(C)Oc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482871320 502204341 /nfs/dbraw/zinc/20/43/41/502204341.db2.gz QSBKARJRVDDRBQ-KRWDZBQOSA-N 1 3 361.530 3.067 20 0 FGADHO CC[C@H](C)CN(CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889245 502207347 /nfs/dbraw/zinc/20/73/47/502207347.db2.gz LMAOIYYIWAQLDX-SFHVURJKSA-N 1 3 359.558 3.444 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000472129377 502242211 /nfs/dbraw/zinc/24/22/11/502242211.db2.gz BCTCQVRABMIQLJ-KURKYZTESA-N 1 3 369.509 3.058 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465449898 502266525 /nfs/dbraw/zinc/26/65/25/502266525.db2.gz WBLCRVSRVGJYFT-HXUWFJFHSA-N 1 3 374.573 3.411 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147791 502290732 /nfs/dbraw/zinc/29/07/32/502290732.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147791 502290735 /nfs/dbraw/zinc/29/07/35/502290735.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 1 3 369.553 3.422 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290150 502301915 /nfs/dbraw/zinc/30/19/15/502301915.db2.gz FAQMXHVWSQHNAH-SFHVURJKSA-N 1 3 367.921 3.101 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566883 502309428 /nfs/dbraw/zinc/30/94/28/502309428.db2.gz GQVOHCUDIMCSFJ-NRFANRHFSA-N 1 3 372.557 3.202 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000479710459 502352805 /nfs/dbraw/zinc/35/28/05/502352805.db2.gz PZLDBJMJHMUENP-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479710459 502352810 /nfs/dbraw/zinc/35/28/10/502352810.db2.gz PZLDBJMJHMUENP-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744688 502368119 /nfs/dbraw/zinc/36/81/19/502368119.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744688 502368120 /nfs/dbraw/zinc/36/81/20/502368120.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000465817616 502393806 /nfs/dbraw/zinc/39/38/06/502393806.db2.gz SZKRXQWEBLCJSP-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@@H](C)C1 ZINC000479876619 502406246 /nfs/dbraw/zinc/40/62/46/502406246.db2.gz UIFWXWCWXOGTPD-SLFFLAALSA-N 1 3 363.546 3.143 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412766 /nfs/dbraw/zinc/41/27/66/502412766.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412770 /nfs/dbraw/zinc/41/27/70/502412770.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000469438430 502418126 /nfs/dbraw/zinc/41/81/26/502418126.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000469438430 502418133 /nfs/dbraw/zinc/41/81/33/502418133.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000465923184 502428384 /nfs/dbraw/zinc/42/83/84/502428384.db2.gz SMFIHPDFLIGZRM-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465944270 502435169 /nfs/dbraw/zinc/43/51/69/502435169.db2.gz XOPWVFLAOWGBNR-LEWJYISDSA-N 1 3 374.573 3.065 20 0 FGADHO CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465944270 502435174 /nfs/dbraw/zinc/43/51/74/502435174.db2.gz XOPWVFLAOWGBNR-LEWJYISDSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017715 502454992 /nfs/dbraw/zinc/45/49/92/502454992.db2.gz PIJHAHJZNLBTDQ-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017715 502454997 /nfs/dbraw/zinc/45/49/97/502454997.db2.gz PIJHAHJZNLBTDQ-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000462508369 502469266 /nfs/dbraw/zinc/46/92/66/502469266.db2.gz VWIQPWGRWKQDTB-LJQANCHMSA-N 1 3 352.526 3.458 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000462508369 502469272 /nfs/dbraw/zinc/46/92/72/502469272.db2.gz VWIQPWGRWKQDTB-LJQANCHMSA-N 1 3 352.526 3.458 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C[C@H]1C ZINC000483767196 502487080 /nfs/dbraw/zinc/48/70/80/502487080.db2.gz GAYRENQBBYCMKW-HOJAQTOUSA-N 1 3 360.546 3.112 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C[C@H]1C ZINC000483767196 502487084 /nfs/dbraw/zinc/48/70/84/502487084.db2.gz GAYRENQBBYCMKW-HOJAQTOUSA-N 1 3 360.546 3.112 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000466147892 502489464 /nfs/dbraw/zinc/48/94/64/502489464.db2.gz YRJNABKCMWEDMZ-UYAOXDASSA-N 1 3 360.546 3.067 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+](C)C)cc2)[C@H]1Oc1ccccc1 ZINC000480334018 502539812 /nfs/dbraw/zinc/53/98/12/502539812.db2.gz MVVMUNVHBCKRHT-YPAWHYETSA-N 1 3 354.494 3.463 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN(CC)CC)C12CCOCC2 ZINC000469788515 502546081 /nfs/dbraw/zinc/54/60/81/502546081.db2.gz BMDFBIJLVDKTIZ-FUMNGEBKSA-N 1 3 352.563 3.451 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858952 502549944 /nfs/dbraw/zinc/54/99/44/502549944.db2.gz NDEYCPQZJVTESS-NLWGTHIKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858952 502549949 /nfs/dbraw/zinc/54/99/49/502549949.db2.gz NDEYCPQZJVTESS-NLWGTHIKSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)NCCN(C)C ZINC000466371485 502550806 /nfs/dbraw/zinc/55/08/06/502550806.db2.gz YLRXBJXENPVAMV-GPANFISMSA-N 1 3 365.484 3.037 20 0 FGADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000469864903 502575291 /nfs/dbraw/zinc/57/52/91/502575291.db2.gz HSSTWKOUJFOPTK-UHFFFAOYSA-N 1 3 362.905 3.164 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462860400 502602251 /nfs/dbraw/zinc/60/22/51/502602251.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 1 3 365.521 3.186 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462860400 502602255 /nfs/dbraw/zinc/60/22/55/502602255.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 1 3 365.521 3.186 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@H+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625833 /nfs/dbraw/zinc/62/58/33/502625833.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@@H+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625836 /nfs/dbraw/zinc/62/58/36/502625836.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 1 3 352.563 3.403 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000484399792 502637924 /nfs/dbraw/zinc/63/79/24/502637924.db2.gz FQGJMIPTOITMFQ-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850941 502688793 /nfs/dbraw/zinc/68/87/93/502688793.db2.gz VXHLPNNXDIJYAL-RXVVDRJESA-N 1 3 351.494 3.059 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850941 502688798 /nfs/dbraw/zinc/68/87/98/502688798.db2.gz VXHLPNNXDIJYAL-RXVVDRJESA-N 1 3 351.494 3.059 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416301 502709480 /nfs/dbraw/zinc/70/94/80/502709480.db2.gz QKOYXIYKLNJIOH-NHCUHLMSSA-N 1 3 361.599 3.444 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455280 502719061 /nfs/dbraw/zinc/71/90/61/502719061.db2.gz COMTWOREGSVIHL-BZSNNMDCSA-N 1 3 364.534 3.128 20 0 FGADHO CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000488470837 502724810 /nfs/dbraw/zinc/72/48/10/502724810.db2.gz WPJBNPQAOBERRS-NJDAHSKKSA-N 1 3 369.553 3.183 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000477340483 502747867 /nfs/dbraw/zinc/74/78/67/502747867.db2.gz UENILOLAKATWOU-NRFANRHFSA-N 1 3 374.573 3.414 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1Cl ZINC000470375249 502753961 /nfs/dbraw/zinc/75/39/61/502753961.db2.gz RAKBNCFRTWUGIV-UHFFFAOYSA-N 1 3 359.857 3.136 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502778996 /nfs/dbraw/zinc/77/89/96/502778996.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 1 3 351.922 3.151 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502779001 /nfs/dbraw/zinc/77/90/01/502779001.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 1 3 351.922 3.151 20 0 FGADHO O=C(CN[C@H](CC1CCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481253253 502797570 /nfs/dbraw/zinc/79/75/70/502797570.db2.gz HPPXRXJORQPGRP-OAQYLSRUSA-N 1 3 355.526 3.251 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769825 502859548 /nfs/dbraw/zinc/85/95/48/502859548.db2.gz SLJAOOHWJGQXOB-HDICACEKSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000500840853 502875035 /nfs/dbraw/zinc/87/50/35/502875035.db2.gz VLSDROHAORWXPK-SLFFLAALSA-N 1 3 366.594 3.308 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000505288903 502882824 /nfs/dbraw/zinc/88/28/24/502882824.db2.gz BKKMKMAANNHFLY-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000505288903 502882826 /nfs/dbraw/zinc/88/28/26/502882826.db2.gz BKKMKMAANNHFLY-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000501043682 502920394 /nfs/dbraw/zinc/92/03/94/502920394.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000501043682 502920397 /nfs/dbraw/zinc/92/03/97/502920397.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000501045896 502920676 /nfs/dbraw/zinc/92/06/76/502920676.db2.gz OFXPEQHMUJEIJR-UXHICEINSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000501045896 502920680 /nfs/dbraw/zinc/92/06/80/502920680.db2.gz OFXPEQHMUJEIJR-UXHICEINSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000501049070 502922072 /nfs/dbraw/zinc/92/20/72/502922072.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000501049070 502922077 /nfs/dbraw/zinc/92/20/77/502922077.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000501062266 502925352 /nfs/dbraw/zinc/92/53/52/502925352.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000501062266 502925354 /nfs/dbraw/zinc/92/53/54/502925354.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819664 502992195 /nfs/dbraw/zinc/99/21/95/502992195.db2.gz SUZBDDFGKBXXKE-FQEVSTJZSA-N 1 3 359.558 3.229 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819664 502992198 /nfs/dbraw/zinc/99/21/98/502992198.db2.gz SUZBDDFGKBXXKE-FQEVSTJZSA-N 1 3 359.558 3.229 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501488892 503019098 /nfs/dbraw/zinc/01/90/98/503019098.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 1 3 366.594 3.307 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501488892 503019102 /nfs/dbraw/zinc/01/91/02/503019102.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 1 3 366.594 3.307 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000501545377 503034174 /nfs/dbraw/zinc/03/41/74/503034174.db2.gz HFZMABWVCDWDQK-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497758635 503035202 /nfs/dbraw/zinc/03/52/02/503035202.db2.gz LHLGKHWIQVITOF-QGZVFWFLSA-N 1 3 355.592 3.021 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000501550414 503035507 /nfs/dbraw/zinc/03/55/07/503035507.db2.gz KPQHIDYMQMMJFM-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000506424637 503112725 /nfs/dbraw/zinc/11/27/25/503112725.db2.gz XAFJRPRAUFBWTJ-NRFANRHFSA-N 1 3 358.574 3.135 20 0 FGADHO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000490172699 503122144 /nfs/dbraw/zinc/12/21/44/503122144.db2.gz QCCZVTSGDRTULG-XLIONFOSSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000490172699 503122148 /nfs/dbraw/zinc/12/21/48/503122148.db2.gz QCCZVTSGDRTULG-XLIONFOSSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393135 503178005 /nfs/dbraw/zinc/17/80/05/503178005.db2.gz XYHKJBZZEDKVQT-SJLPKXTDSA-N 1 3 364.534 3.130 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000502773148 503269252 /nfs/dbraw/zinc/26/92/52/503269252.db2.gz FUFBCLNLFPILNW-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000498888125 503283708 /nfs/dbraw/zinc/28/37/08/503283708.db2.gz FCNRXFXKHBIMBL-UHFFFAOYSA-N 1 3 366.594 3.262 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000507390732 503292150 /nfs/dbraw/zinc/29/21/50/503292150.db2.gz LRTPQVLKSMFAMO-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000507390732 503292152 /nfs/dbraw/zinc/29/21/52/503292152.db2.gz LRTPQVLKSMFAMO-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000502916182 503307448 /nfs/dbraw/zinc/30/74/48/503307448.db2.gz DPIJKMFAUMMVJZ-ZWKOTPCHSA-N 1 3 360.546 3.289 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503033008 503330169 /nfs/dbraw/zinc/33/01/69/503330169.db2.gz NDNYEAXTGPAVCN-HKUYNNGSSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502783 503334014 /nfs/dbraw/zinc/33/40/14/503334014.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502783 503334019 /nfs/dbraw/zinc/33/40/19/503334019.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000503046350 503334772 /nfs/dbraw/zinc/33/47/72/503334772.db2.gz DADJJSUOUSRQNR-LJQANCHMSA-N 1 3 353.510 3.261 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000503086526 503343247 /nfs/dbraw/zinc/34/32/47/503343247.db2.gz UUYJNTBCNBIVGO-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000507958116 503404134 /nfs/dbraw/zinc/40/41/34/503404134.db2.gz VCSUZIXYEAGLMG-QRVBRYPASA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882870 503407224 /nfs/dbraw/zinc/40/72/24/503407224.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882870 503407228 /nfs/dbraw/zinc/40/72/28/503407228.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)CCn1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000515865967 503413487 /nfs/dbraw/zinc/41/34/87/503413487.db2.gz AFVDUZFKBSTROS-UHFFFAOYSA-N 1 3 369.513 3.073 20 0 FGADHO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000515879642 503416196 /nfs/dbraw/zinc/41/61/96/503416196.db2.gz CCXDISOPEOOPNH-IIBYNOLFSA-N 1 3 373.516 3.342 20 0 FGADHO C[C@](O)(CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601398 503441014 /nfs/dbraw/zinc/44/10/14/503441014.db2.gz XOLXHGLDAVRYPE-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@](O)(CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601398 503441015 /nfs/dbraw/zinc/44/10/15/503441015.db2.gz XOLXHGLDAVRYPE-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000493824671 503448265 /nfs/dbraw/zinc/44/82/65/503448265.db2.gz TYQNOLKDQKVPHL-RBUKOAKNSA-N 1 3 353.510 3.131 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000512137419 503467259 /nfs/dbraw/zinc/46/72/59/503467259.db2.gz HLTCNOPGRZOGHE-CQSZACIVSA-N 1 3 353.894 3.141 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[NH+]1CCCC1 ZINC000512137419 503467262 /nfs/dbraw/zinc/46/72/62/503467262.db2.gz HLTCNOPGRZOGHE-CQSZACIVSA-N 1 3 353.894 3.141 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CC4)c4ccccc43)CC2)CC1 ZINC000516313275 503492636 /nfs/dbraw/zinc/49/26/36/503492636.db2.gz LXVFLSZTKGLOOL-UHFFFAOYSA-N 1 3 367.537 3.261 20 0 FGADHO O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244431 503496842 /nfs/dbraw/zinc/49/68/42/503496842.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 1 3 366.505 3.024 20 0 FGADHO O[C@@H](COc1ccccc1)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244431 503496845 /nfs/dbraw/zinc/49/68/45/503496845.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 1 3 366.505 3.024 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000503992600 503506137 /nfs/dbraw/zinc/50/61/37/503506137.db2.gz VMYHTELUNLELDL-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(Br)c1 ZINC000499905496 503508102 /nfs/dbraw/zinc/50/81/02/503508102.db2.gz JKDMENGZPSGSNK-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(Br)c1 ZINC000499905496 503508104 /nfs/dbraw/zinc/50/81/04/503508104.db2.gz JKDMENGZPSGSNK-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO CCC(CC)[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCC1 ZINC000504191884 503537120 /nfs/dbraw/zinc/53/71/20/503537120.db2.gz WMADDXDFDMQUKC-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508693740 503544526 /nfs/dbraw/zinc/54/45/26/503544526.db2.gz BJQXSLDCWAVDJZ-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693740 503544528 /nfs/dbraw/zinc/54/45/28/503544528.db2.gz BJQXSLDCWAVDJZ-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693740 503544530 /nfs/dbraw/zinc/54/45/30/503544530.db2.gz BJQXSLDCWAVDJZ-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546049 /nfs/dbraw/zinc/54/60/49/503546049.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546053 /nfs/dbraw/zinc/54/60/53/503546053.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508860226 503580627 /nfs/dbraw/zinc/58/06/27/503580627.db2.gz DGXRKUQQKOHUSR-SVFBPWRDSA-N 1 3 374.573 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508860226 503580631 /nfs/dbraw/zinc/58/06/31/503580631.db2.gz DGXRKUQQKOHUSR-SVFBPWRDSA-N 1 3 374.573 3.360 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508872393 503583871 /nfs/dbraw/zinc/58/38/71/503583871.db2.gz RQQGDYGBVRVAKA-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508872393 503583874 /nfs/dbraw/zinc/58/38/74/503583874.db2.gz RQQGDYGBVRVAKA-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC000508871246 503584614 /nfs/dbraw/zinc/58/46/14/503584614.db2.gz PFGCMYUDDDKKCS-NQIIRXRSSA-N 1 3 372.557 3.256 20 0 FGADHO FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512637200 503600645 /nfs/dbraw/zinc/60/06/45/503600645.db2.gz SMWWXZIEEAUFAU-OKZBNKHCSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637200 503600648 /nfs/dbraw/zinc/60/06/48/503600648.db2.gz SMWWXZIEEAUFAU-OKZBNKHCSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637200 503600652 /nfs/dbraw/zinc/60/06/52/503600652.db2.gz SMWWXZIEEAUFAU-OKZBNKHCSA-N 1 3 356.432 3.456 20 0 FGADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512654077 503603750 /nfs/dbraw/zinc/60/37/50/503603750.db2.gz JCFCNSNEWXKXNJ-YPAWHYETSA-N 1 3 369.553 3.279 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122870 503675596 /nfs/dbraw/zinc/67/55/96/503675596.db2.gz TVWFJJOFKDFMLT-QUCCMNQESA-N 1 3 357.542 3.450 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696507 503684654 /nfs/dbraw/zinc/68/46/54/503684654.db2.gz STXITXFVOFSZIG-HXUWFJFHSA-N 1 3 356.514 3.318 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000540137807 503685462 /nfs/dbraw/zinc/68/54/62/503685462.db2.gz RDPOVVOIZXUWED-SIKLNZKXSA-N 1 3 374.573 3.025 20 0 FGADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccccc1 ZINC000540169703 503695605 /nfs/dbraw/zinc/69/56/05/503695605.db2.gz HTRJRDUSHXVDFU-KURKYZTESA-N 1 3 371.529 3.116 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000517371924 503728606 /nfs/dbraw/zinc/72/86/06/503728606.db2.gz LNLIMHPXAYNTBW-RLFYNMQTSA-N 1 3 363.933 3.227 20 0 FGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000543417894 503761719 /nfs/dbraw/zinc/76/17/19/503761719.db2.gz HHFBIZGFYBHTNI-URVUXULASA-N 1 3 359.558 3.303 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000543667773 503846290 /nfs/dbraw/zinc/84/62/90/503846290.db2.gz JXXSQPUEEPXTOI-SFHVURJKSA-N 1 3 366.594 3.116 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889396 503859465 /nfs/dbraw/zinc/85/94/65/503859465.db2.gz KZGQTCIRZWIBKI-NRSPTQNISA-N 1 3 372.557 3.242 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccncc3Cl)cc2)CC1 ZINC000527638748 503871003 /nfs/dbraw/zinc/87/10/03/503871003.db2.gz YLLWXUHWUIYBLR-UHFFFAOYSA-N 1 3 358.917 3.162 20 0 FGADHO COc1cccc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213116 503879447 /nfs/dbraw/zinc/87/94/47/503879447.db2.gz VCMQRKMQZIRMKB-ILWGZMRPSA-N 1 3 368.477 3.228 20 0 FGADHO Cc1cc2oc(=O)cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000530239437 503889644 /nfs/dbraw/zinc/88/96/44/503889644.db2.gz FXIOZGPRPTWAPU-IBGZPJMESA-N 1 3 370.493 3.000 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518067824 503902830 /nfs/dbraw/zinc/90/28/30/503902830.db2.gz DKWYBOLPCCIGFN-OTWHNJEPSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518067824 503902833 /nfs/dbraw/zinc/90/28/33/503902833.db2.gz DKWYBOLPCCIGFN-OTWHNJEPSA-N 1 3 364.578 3.013 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)Cc1ccccc1 ZINC000533813828 503958790 /nfs/dbraw/zinc/95/87/90/503958790.db2.gz DLPNWZJQJPPMBV-QFIPXVFZSA-N 1 3 374.488 3.150 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000530641339 504035786 /nfs/dbraw/zinc/03/57/86/504035786.db2.gz DGVORCLGRKYUQK-HNNXBMFYSA-N 1 3 373.463 3.151 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000528008699 504037841 /nfs/dbraw/zinc/03/78/41/504037841.db2.gz XAKAXRMFHXAZAM-VOQZNFBZSA-N 1 3 363.505 3.314 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000528008699 504037844 /nfs/dbraw/zinc/03/78/44/504037844.db2.gz XAKAXRMFHXAZAM-VOQZNFBZSA-N 1 3 363.505 3.314 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792456 504044205 /nfs/dbraw/zinc/04/42/05/504044205.db2.gz MUEIKARLCYQUEZ-HXUWFJFHSA-N 1 3 358.530 3.021 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000530664732 504044625 /nfs/dbraw/zinc/04/46/25/504044625.db2.gz VGVDXSLFUDEDQB-HNNXBMFYSA-N 1 3 374.481 3.440 20 0 FGADHO Cc1nn(-c2ccncc2)cc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000518836835 504076059 /nfs/dbraw/zinc/07/60/59/504076059.db2.gz SEXGOVCONKUWDV-UHFFFAOYSA-N 1 3 358.449 3.110 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937257 504089520 /nfs/dbraw/zinc/08/95/20/504089520.db2.gz DBQWDEVDCPUUPV-LALPHHSUSA-N 1 3 369.303 3.039 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952499 504094438 /nfs/dbraw/zinc/09/44/38/504094438.db2.gz IDIWRWDVNMLYDT-PGRDOPGGSA-N 1 3 370.541 3.314 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952499 504094441 /nfs/dbraw/zinc/09/44/41/504094441.db2.gz IDIWRWDVNMLYDT-PGRDOPGGSA-N 1 3 370.541 3.314 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099234 /nfs/dbraw/zinc/09/92/34/504099234.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 1 3 373.585 3.376 20 0 FGADHO COCC[C@@H](c1ccccc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491617 504152485 /nfs/dbraw/zinc/15/24/85/504152485.db2.gz QDWRCULVEGPWFU-NRFANRHFSA-N 1 3 359.558 3.114 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000541535946 504167596 /nfs/dbraw/zinc/16/75/96/504167596.db2.gz YOGYWEQLKHGWHQ-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2c1cccc2Br ZINC000544571855 504178198 /nfs/dbraw/zinc/17/81/98/504178198.db2.gz BTNPLBDXZDLDKU-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO CC[NH+](CC)CCOCCN[C@H]1CCc2c1cccc2Br ZINC000544571854 504178368 /nfs/dbraw/zinc/17/83/68/504178368.db2.gz BTNPLBDXZDLDKU-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531107704 504191604 /nfs/dbraw/zinc/19/16/04/504191604.db2.gz IJISMRQRBWXEIG-LJQANCHMSA-N 1 3 359.558 3.394 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531107704 504191609 /nfs/dbraw/zinc/19/16/09/504191609.db2.gz IJISMRQRBWXEIG-LJQANCHMSA-N 1 3 359.558 3.394 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000519344136 504197899 /nfs/dbraw/zinc/19/78/99/504197899.db2.gz SBRVQADIVHFAQF-OAQYLSRUSA-N 1 3 372.557 3.258 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000534798939 504244929 /nfs/dbraw/zinc/24/49/29/504244929.db2.gz XKYIRLZBWDNZIR-NJYVYQBISA-N 1 3 358.526 3.107 20 0 FGADHO C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508304 504267465 /nfs/dbraw/zinc/26/74/65/504267465.db2.gz HLTVAYQPPSCDDQ-LPHOPBHVSA-N 1 3 356.466 3.118 20 0 FGADHO Cc1c2ccc3ccccc3c2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357567 504277796 /nfs/dbraw/zinc/27/77/96/504277796.db2.gz CREQONHNDSMJTR-UHFFFAOYSA-N 1 3 367.493 3.460 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616117 504304955 /nfs/dbraw/zinc/30/49/55/504304955.db2.gz VEOAHQAEELORNR-MJGOQNOKSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616117 504304960 /nfs/dbraw/zinc/30/49/60/504304960.db2.gz VEOAHQAEELORNR-MJGOQNOKSA-N 1 3 352.482 3.053 20 0 FGADHO CN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548061173 504314980 /nfs/dbraw/zinc/31/49/80/504314980.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548061173 504314986 /nfs/dbraw/zinc/31/49/86/504314986.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 1 3 357.542 3.374 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325064 /nfs/dbraw/zinc/32/50/64/504325064.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325070 /nfs/dbraw/zinc/32/50/70/504325070.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728064 504351902 /nfs/dbraw/zinc/35/19/02/504351902.db2.gz IJQQXENYHABMEY-QHCPKHFHSA-N 1 3 371.569 3.262 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728064 504351908 /nfs/dbraw/zinc/35/19/08/504351908.db2.gz IJQQXENYHABMEY-QHCPKHFHSA-N 1 3 371.569 3.262 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000542185191 504396950 /nfs/dbraw/zinc/39/69/50/504396950.db2.gz IQFXQFVTRBOXCU-DEXHYYOUSA-N 1 3 369.553 3.230 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000542185191 504396955 /nfs/dbraw/zinc/39/69/55/504396955.db2.gz IQFXQFVTRBOXCU-DEXHYYOUSA-N 1 3 369.553 3.230 20 0 FGADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069022 504406590 /nfs/dbraw/zinc/40/65/90/504406590.db2.gz ZSOCVOAZBFXRFY-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339356 504471049 /nfs/dbraw/zinc/47/10/49/504471049.db2.gz QSUNDWAWWBQFAE-KNQAVFIVSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339356 504471054 /nfs/dbraw/zinc/47/10/54/504471054.db2.gz QSUNDWAWWBQFAE-KNQAVFIVSA-N 1 3 371.569 3.176 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937452 504480121 /nfs/dbraw/zinc/48/01/21/504480121.db2.gz ASLGLAXJORVKID-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937452 504480125 /nfs/dbraw/zinc/48/01/25/504480125.db2.gz ASLGLAXJORVKID-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937452 504480131 /nfs/dbraw/zinc/48/01/31/504480131.db2.gz ASLGLAXJORVKID-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OC1CCCC1 ZINC000521116635 504654026 /nfs/dbraw/zinc/65/40/26/504654026.db2.gz SWKQJOVSFWTWEJ-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000521181968 504671625 /nfs/dbraw/zinc/67/16/25/504671625.db2.gz LQJJPVKIGBPWGP-NRFANRHFSA-N 1 3 355.526 3.128 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521764 504681113 /nfs/dbraw/zinc/68/11/13/504681113.db2.gz MMHWKWGIEKEXSS-GXFFZTMASA-N 1 3 350.816 3.096 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521764 504681117 /nfs/dbraw/zinc/68/11/17/504681117.db2.gz MMHWKWGIEKEXSS-GXFFZTMASA-N 1 3 350.816 3.096 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530706 504683788 /nfs/dbraw/zinc/68/37/88/504683788.db2.gz GNEZEUKLMFFHSW-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530706 504683789 /nfs/dbraw/zinc/68/37/89/504683789.db2.gz GNEZEUKLMFFHSW-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO CC(C)c1nc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c2ccccn21 ZINC000565079335 504789309 /nfs/dbraw/zinc/78/93/09/504789309.db2.gz GVLOMFYDHSMYBD-UHFFFAOYSA-N 1 3 369.557 3.106 20 0 FGADHO CCN(CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839581 /nfs/dbraw/zinc/83/95/81/504839581.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839582 /nfs/dbraw/zinc/83/95/82/504839582.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)CN1CCCC1 ZINC000549523567 504841660 /nfs/dbraw/zinc/84/16/60/504841660.db2.gz ULAMKGICCROHGU-WMZOPIPTSA-N 1 3 367.331 3.263 20 0 FGADHO CC[NH+]1CCC(CCNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000549761231 504890740 /nfs/dbraw/zinc/89/07/40/504890740.db2.gz ZHIALQNOBZLOFN-UHFFFAOYSA-N 1 3 365.949 3.388 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742866 504921410 /nfs/dbraw/zinc/92/14/10/504921410.db2.gz GUAYBSZGBSJCPM-FUHIMQAGSA-N 1 3 362.514 3.403 20 0 FGADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525479 504940689 /nfs/dbraw/zinc/94/06/89/504940689.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525479 504940694 /nfs/dbraw/zinc/94/06/94/504940694.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 1 3 369.553 3.231 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CNCc3cc(OC)ccc3F)cc2)CC1 ZINC000550099744 504966359 /nfs/dbraw/zinc/96/63/59/504966359.db2.gz KQGBPADMDOGGEP-UHFFFAOYSA-N 1 3 371.500 3.262 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000550138770 504975336 /nfs/dbraw/zinc/97/53/36/504975336.db2.gz DWPNCWXFXDESHX-IBGZPJMESA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000550138770 504975339 /nfs/dbraw/zinc/97/53/39/504975339.db2.gz DWPNCWXFXDESHX-IBGZPJMESA-N 1 3 357.542 3.340 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870583 505001053 /nfs/dbraw/zinc/00/10/53/505001053.db2.gz GRHGWPKYRNRHIM-ZLNRFVROSA-N 1 3 371.569 3.370 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@@H]21 ZINC000556885982 505006590 /nfs/dbraw/zinc/00/65/90/505006590.db2.gz ROEHMXZOUOCSRN-ULQDDVLXSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@@H]21 ZINC000556885982 505006592 /nfs/dbraw/zinc/00/65/92/505006592.db2.gz ROEHMXZOUOCSRN-ULQDDVLXSA-N 1 3 360.889 3.395 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936343 505023849 /nfs/dbraw/zinc/02/38/49/505023849.db2.gz MXLUOAKSXIILRW-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CN(c1ccccc1)c1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000563136373 505058415 /nfs/dbraw/zinc/05/84/15/505058415.db2.gz ZXBIGYZMRAAJOB-IRLDBZIGSA-N 1 3 366.509 3.178 20 0 FGADHO COc1ccc(C[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000563154674 505061648 /nfs/dbraw/zinc/06/16/48/505061648.db2.gz TVMZBPMHQJMNTA-RTFZILSDSA-N 1 3 368.521 3.227 20 0 FGADHO COc1ccc(C[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000563154674 505061650 /nfs/dbraw/zinc/06/16/50/505061650.db2.gz TVMZBPMHQJMNTA-RTFZILSDSA-N 1 3 368.521 3.227 20 0 FGADHO COc1ccc(CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000563154674 505061654 /nfs/dbraw/zinc/06/16/54/505061654.db2.gz TVMZBPMHQJMNTA-RTFZILSDSA-N 1 3 368.521 3.227 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000557224075 505095910 /nfs/dbraw/zinc/09/59/10/505095910.db2.gz ZNVSVGRVHYKUFI-CZAAIQMYSA-N 1 3 366.509 3.108 20 0 FGADHO CC[NH+](CC)CCOCCN[C@H]1CCc2sc(Br)cc21 ZINC000550789633 505101069 /nfs/dbraw/zinc/10/10/69/505101069.db2.gz RFFPHCRVERUSQS-ZDUSSCGKSA-N 1 3 361.349 3.446 20 0 FGADHO CCN(C)C(=O)[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216647 505114005 /nfs/dbraw/zinc/11/40/05/505114005.db2.gz WPHTUSCPQVCRSO-UXHICEINSA-N 1 3 357.542 3.276 20 0 FGADHO CCN(C)C(=O)[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216647 505114007 /nfs/dbraw/zinc/11/40/07/505114007.db2.gz WPHTUSCPQVCRSO-UXHICEINSA-N 1 3 357.542 3.276 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524569 505114463 /nfs/dbraw/zinc/11/44/63/505114463.db2.gz GKBMMFPHZUOJRU-GGPKGHCWSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524569 505114469 /nfs/dbraw/zinc/11/44/69/505114469.db2.gz GKBMMFPHZUOJRU-GGPKGHCWSA-N 1 3 371.529 3.055 20 0 FGADHO COC(=O)c1csc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000560528121 505115802 /nfs/dbraw/zinc/11/58/02/505115802.db2.gz NRZBCZVGVPLNMT-KFWWJZLASA-N 1 3 354.516 3.075 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)N(C)C ZINC000554255260 505126476 /nfs/dbraw/zinc/12/64/76/505126476.db2.gz RBDXTFXTVIMHHL-IEBWSBKVSA-N 1 3 360.546 3.160 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000557618686 505183841 /nfs/dbraw/zinc/18/38/41/505183841.db2.gz QWWQVOJVSNSVNL-IBGZPJMESA-N 1 3 363.590 3.467 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481308 505187276 /nfs/dbraw/zinc/18/72/76/505187276.db2.gz GYGVOVZRJBKFBR-BRWVUGGUSA-N 1 3 369.431 3.056 20 0 FGADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000563804541 505244054 /nfs/dbraw/zinc/24/40/54/505244054.db2.gz YSNBVKZYIRVQGK-LWYYNNOASA-N 1 3 356.514 3.193 20 0 FGADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021111 505287710 /nfs/dbraw/zinc/28/77/10/505287710.db2.gz CZZWEMWNVARLGG-CSODHUTKSA-N 1 3 364.493 3.049 20 0 FGADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021111 505287715 /nfs/dbraw/zinc/28/77/15/505287715.db2.gz CZZWEMWNVARLGG-CSODHUTKSA-N 1 3 364.493 3.049 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345378 505364827 /nfs/dbraw/zinc/36/48/27/505364827.db2.gz OANUCKJSDZQMJB-YTQUADARSA-N 1 3 372.513 3.311 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)N(C)C ZINC000558380521 505371709 /nfs/dbraw/zinc/37/17/09/505371709.db2.gz JMOGXEIMGMYWBB-FXAWDEMLSA-N 1 3 360.546 3.158 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046301 505381213 /nfs/dbraw/zinc/38/12/13/505381213.db2.gz CNHQZIWMXPLLQJ-GFOJFJKKSA-N 1 3 358.526 3.373 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046303 505381468 /nfs/dbraw/zinc/38/14/68/505381468.db2.gz CNHQZIWMXPLLQJ-OYNPSCLESA-N 1 3 358.526 3.373 20 0 FGADHO CN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000552063729 505387230 /nfs/dbraw/zinc/38/72/30/505387230.db2.gz KMYHRXXUTPZXLN-NUUXYWTLSA-N 1 3 359.480 3.254 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000564548994 505449588 /nfs/dbraw/zinc/44/95/88/505449588.db2.gz LZBQGTDFXMTWAA-RLLQIKCJSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000555539556 505451393 /nfs/dbraw/zinc/45/13/93/505451393.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000555539556 505451398 /nfs/dbraw/zinc/45/13/98/505451398.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000564552558 505451520 /nfs/dbraw/zinc/45/15/20/505451520.db2.gz VGRSFXWEVQMHAK-FXAWDEMLSA-N 1 3 372.557 3.289 20 0 FGADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CCN(C4CCCC4)CC3)c2cc1C ZINC000552570361 505515635 /nfs/dbraw/zinc/51/56/35/505515635.db2.gz CAWRZJZKZYFFTP-FQEVSTJZSA-N 1 3 370.541 3.011 20 0 FGADHO CN(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000558883379 505519851 /nfs/dbraw/zinc/51/98/51/505519851.db2.gz LZUXKRAVAVWDKY-KRWDZBQOSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000564802290 505524715 /nfs/dbraw/zinc/52/47/15/505524715.db2.gz ZJMVWSORWAMVKH-XMSQKQJNSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000564802290 505524717 /nfs/dbraw/zinc/52/47/17/505524717.db2.gz ZJMVWSORWAMVKH-XMSQKQJNSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908678 505527247 /nfs/dbraw/zinc/52/72/47/505527247.db2.gz TWEUNVAHAJHGKO-WMLDXEAASA-N 1 3 368.953 3.218 20 0 FGADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969109 505564463 /nfs/dbraw/zinc/56/44/63/505564463.db2.gz RAUGPNPAQGRCCF-SFHVURJKSA-N 1 3 369.534 3.125 20 0 FGADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000583234083 506664136 /nfs/dbraw/zinc/66/41/36/506664136.db2.gz MVJFBJBWRBFIDD-OFAXGOBFSA-N 1 3 368.521 3.444 20 0 FGADHO COC(=O)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1F ZINC000597075080 506759687 /nfs/dbraw/zinc/75/96/87/506759687.db2.gz UINIFBMBXVLOKT-UHFFFAOYSA-N 1 3 357.429 3.014 20 0 FGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(I)s1 ZINC000590600597 506876135 /nfs/dbraw/zinc/87/61/35/506876135.db2.gz JRLQBXGAYOYPJG-UHFFFAOYSA-N 1 3 352.285 3.030 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC000604784715 506942584 /nfs/dbraw/zinc/94/25/84/506942584.db2.gz NIHMEIQHJWQCPZ-RTBURBONSA-N 1 3 362.562 3.263 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)oc1C ZINC000583746941 506950036 /nfs/dbraw/zinc/95/00/36/506950036.db2.gz BGUPLSGRGKGNSN-PMACEKPBSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1nc(CN2CCC(CN[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)oc1C ZINC000583746941 506950041 /nfs/dbraw/zinc/95/00/41/506950041.db2.gz BGUPLSGRGKGNSN-PMACEKPBSA-N 1 3 354.498 3.238 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000604806520 506950795 /nfs/dbraw/zinc/95/07/95/506950795.db2.gz QXKPUWLIWIWXKT-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)(C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000583867514 507019662 /nfs/dbraw/zinc/01/96/62/507019662.db2.gz ONLMEUCPAIEWGP-INIZCTEOSA-N 1 3 374.447 3.157 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)COCc1ccccc1 ZINC000583929369 507054098 /nfs/dbraw/zinc/05/40/98/507054098.db2.gz DYANQTZCSVNADZ-QHCPKHFHSA-N 1 3 368.521 3.340 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000600862682 507150412 /nfs/dbraw/zinc/15/04/12/507150412.db2.gz CGGWLDIKNBMYDS-RTWAWAEBSA-N 1 3 374.573 3.113 20 0 FGADHO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000584161085 507187538 /nfs/dbraw/zinc/18/75/38/507187538.db2.gz UZBWISOXEATHFK-IBGZPJMESA-N 1 3 364.493 3.118 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438017 507248978 /nfs/dbraw/zinc/24/89/78/507248978.db2.gz PEEOOHSQGLYUNB-XLIONFOSSA-N 1 3 373.541 3.010 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601214409 507297981 /nfs/dbraw/zinc/29/79/81/507297981.db2.gz DFJFVJJBWHFGHZ-UXHICEINSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000601215160 507298147 /nfs/dbraw/zinc/29/81/47/507298147.db2.gz YBFSFZMBECNTHK-IAGOWNOFSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579392 507301954 /nfs/dbraw/zinc/30/19/54/507301954.db2.gz XJRYJAXLFPVDRQ-BXUZGUMPSA-N 1 3 356.251 3.084 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290191 507324785 /nfs/dbraw/zinc/32/47/85/507324785.db2.gz IBQMKJVKWXYYAM-LEWJYISDSA-N 1 3 372.557 3.306 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290191 507324789 /nfs/dbraw/zinc/32/47/89/507324789.db2.gz IBQMKJVKWXYYAM-LEWJYISDSA-N 1 3 372.557 3.306 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016809 507355260 /nfs/dbraw/zinc/35/52/60/507355260.db2.gz XNOAJELIAMWIKK-MLGOLLRUSA-N 1 3 370.278 3.210 20 0 FGADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523946 507392628 /nfs/dbraw/zinc/39/26/28/507392628.db2.gz PGJPUVSTEVJYRF-ATZDWAIDSA-N 1 3 363.440 3.133 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606677200 507478042 /nfs/dbraw/zinc/47/80/42/507478042.db2.gz MWVWBJOKZYCYCT-FQEVSTJZSA-N 1 3 366.594 3.260 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606677200 507478052 /nfs/dbraw/zinc/47/80/52/507478052.db2.gz MWVWBJOKZYCYCT-FQEVSTJZSA-N 1 3 366.594 3.260 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433648 507656099 /nfs/dbraw/zinc/65/60/99/507656099.db2.gz MZGAJXBIWFOHDG-JKSUJKDBSA-N 1 3 350.890 3.338 20 0 FGADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000607245294 507669771 /nfs/dbraw/zinc/66/97/71/507669771.db2.gz IWRJXOMWPSVOAR-SFHVURJKSA-N 1 3 368.953 3.172 20 0 FGADHO Ic1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000592471383 507670143 /nfs/dbraw/zinc/67/01/43/507670143.db2.gz ZQHAKLHQCHZKBX-UHFFFAOYSA-N 1 3 356.251 3.008 20 0 FGADHO Ic1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000592471383 507670148 /nfs/dbraw/zinc/67/01/48/507670148.db2.gz ZQHAKLHQCHZKBX-UHFFFAOYSA-N 1 3 356.251 3.008 20 0 FGADHO C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CCC2)C1 ZINC000615193021 507774274 /nfs/dbraw/zinc/77/42/74/507774274.db2.gz CYLQUAJFAWXLBU-DENIHFKCSA-N 1 3 369.553 3.199 20 0 FGADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC1CC1 ZINC000182052366 568694558 /nfs/dbraw/zinc/69/45/58/568694558.db2.gz HVCOLLLNGXPWCV-UHFFFAOYSA-N 1 3 358.313 3.026 20 0 FGADHO CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000824954972 608501738 /nfs/dbraw/zinc/50/17/38/608501738.db2.gz NGPBZISMOMBUFI-FQEVSTJZSA-N 1 3 368.529 3.346 20 0 FGADHO CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000824954972 608501739 /nfs/dbraw/zinc/50/17/39/608501739.db2.gz NGPBZISMOMBUFI-FQEVSTJZSA-N 1 3 368.529 3.346 20 0 FGADHO COCOc1ccc(OC)cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688627 700453372 /nfs/dbraw/zinc/45/33/72/700453372.db2.gz AQFRADZMXMIWNH-UHFFFAOYSA-N 1 3 350.503 3.232 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551202 713930483 /nfs/dbraw/zinc/93/04/83/713930483.db2.gz SEZZRCZWPKNBCV-KRWDZBQOSA-N 1 3 361.496 3.457 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551202 713930484 /nfs/dbraw/zinc/93/04/84/713930484.db2.gz SEZZRCZWPKNBCV-KRWDZBQOSA-N 1 3 361.496 3.457 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926574 714006029 /nfs/dbraw/zinc/00/60/29/714006029.db2.gz NNQLHWUAIQETRH-UXIGCNINSA-N 1 3 354.292 3.026 20 0 FGADHO C[C@H](N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372962 714457619 /nfs/dbraw/zinc/45/76/19/714457619.db2.gz MQKJVSBCLXZURR-YXJHDRRASA-N 1 3 355.448 3.257 20 0 FGADHO Cc1ccc(Br)cc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000623871319 715419849 /nfs/dbraw/zinc/41/98/49/715419849.db2.gz BBGJZKPSWFBNRN-CQSZACIVSA-N 1 3 355.320 3.255 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416039 /nfs/dbraw/zinc/41/60/39/724416039.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 1 3 353.551 3.297 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416040 /nfs/dbraw/zinc/41/60/40/724416040.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416042 /nfs/dbraw/zinc/41/60/42/724416042.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416044 /nfs/dbraw/zinc/41/60/44/724416044.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 1 3 353.551 3.297 20 0 FGADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953193 717134945 /nfs/dbraw/zinc/13/49/45/717134945.db2.gz UQDLLCVGEYCSNH-XLIONFOSSA-N 1 3 364.555 3.118 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000638380513 717441184 /nfs/dbraw/zinc/44/11/84/717441184.db2.gz FNVXIHSUULEACQ-MJGOQNOKSA-N 1 3 351.485 3.218 20 0 FGADHO CC(C)(O)CN1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000639292935 717541669 /nfs/dbraw/zinc/54/16/69/717541669.db2.gz CDKJOHNGGBPKDG-KRWDZBQOSA-N 1 3 350.478 3.253 20 0 FGADHO C[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245531 /nfs/dbraw/zinc/24/55/31/718245531.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245532 /nfs/dbraw/zinc/24/55/32/718245532.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 1 3 352.563 3.406 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976582 718391261 /nfs/dbraw/zinc/39/12/61/718391261.db2.gz QKBZMBZDXCCNJF-BBWFWOEESA-N 1 3 361.555 3.447 20 0 FGADHO C[C@H]1OCC[C@@]1(C)NCc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489582 718520471 /nfs/dbraw/zinc/52/04/71/718520471.db2.gz SZLVPVJXVOULNY-IDENBPMYSA-N 1 3 350.478 3.140 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC000650705468 718717120 /nfs/dbraw/zinc/71/71/20/718717120.db2.gz ICAHVLJCADIVBY-DJIMGWMZSA-N 1 3 353.304 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3sccc3Br)C2)C1 ZINC000650707681 718717768 /nfs/dbraw/zinc/71/77/68/718717768.db2.gz KSUCRHQELMKLDU-OUCADQQQSA-N 1 3 359.333 3.229 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723391 718720601 /nfs/dbraw/zinc/72/06/01/718720601.db2.gz NFNCZGRVGRYQNC-NXHRZFHOSA-N 1 3 358.511 3.066 20 0 FGADHO CN(Cc1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413461 718881412 /nfs/dbraw/zinc/88/14/12/718881412.db2.gz ISHBAYVVWZHPKX-INIZCTEOSA-N 1 3 368.447 3.329 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CCN ZINC000652354444 718936421 /nfs/dbraw/zinc/93/64/21/718936421.db2.gz YRIMNLNEYHOFDN-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CCN ZINC000652354444 718936422 /nfs/dbraw/zinc/93/64/22/718936422.db2.gz YRIMNLNEYHOFDN-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354444 718936423 /nfs/dbraw/zinc/93/64/23/718936423.db2.gz YRIMNLNEYHOFDN-XJKSGUPXSA-N 1 3 368.319 3.227 20 0 FGADHO Fc1cccc(F)c1CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653562208 719058031 /nfs/dbraw/zinc/05/80/31/719058031.db2.gz JPTFEHGKRWYZAO-UHFFFAOYSA-N 1 3 352.469 3.474 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656709134 719447867 /nfs/dbraw/zinc/44/78/67/719447867.db2.gz NFXUNTMIQAMKCK-KRWDZBQOSA-N 1 3 369.347 3.063 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656709134 719447870 /nfs/dbraw/zinc/44/78/70/719447870.db2.gz NFXUNTMIQAMKCK-KRWDZBQOSA-N 1 3 369.347 3.063 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657868377 719722948 /nfs/dbraw/zinc/72/29/48/719722948.db2.gz OILDBXLQPDZDBI-GOSISDBHSA-N 1 3 352.544 3.019 20 0 FGADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000659427380 719912922 /nfs/dbraw/zinc/91/29/22/719912922.db2.gz MKLYEQNHDXOJQA-IAGOWNOFSA-N 1 3 366.575 3.194 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280914 720409004 /nfs/dbraw/zinc/40/90/04/720409004.db2.gz HIZDPIATCLMMFH-RDJZCZTQSA-N 1 3 356.482 3.275 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474775 720518164 /nfs/dbraw/zinc/51/81/64/720518164.db2.gz QKHJTXVIGGEBIP-PBHICJAKSA-N 1 3 359.436 3.327 20 0 FGADHO CSc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666556726 720947421 /nfs/dbraw/zinc/94/74/21/720947421.db2.gz JLNCALAXYZHCEA-AWEZNQCLSA-N 1 3 352.548 3.110 20 0 FGADHO CSc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666556726 720947423 /nfs/dbraw/zinc/94/74/23/720947423.db2.gz JLNCALAXYZHCEA-AWEZNQCLSA-N 1 3 352.548 3.110 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995648 721010709 /nfs/dbraw/zinc/01/07/09/721010709.db2.gz VJGVILVSLGOZSB-INIZCTEOSA-N 1 3 361.917 3.209 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600344 721966745 /nfs/dbraw/zinc/96/67/45/721966745.db2.gz MAKCRCIGWQHKJQ-BHYGNILZSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600344 721966746 /nfs/dbraw/zinc/96/67/46/721966746.db2.gz MAKCRCIGWQHKJQ-BHYGNILZSA-N 1 3 356.432 3.073 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458754 722413171 /nfs/dbraw/zinc/41/31/71/722413171.db2.gz OFBJUYLKQVHILF-OWSLCNJRSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760905356 723103362 /nfs/dbraw/zinc/10/33/62/723103362.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760905356 723103367 /nfs/dbraw/zinc/10/33/67/723103367.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 1 3 353.551 3.486 20 0 FGADHO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)CN1CCCC1 ZINC000775205113 723970908 /nfs/dbraw/zinc/97/09/08/723970908.db2.gz SSXFHRCOBJQFLL-ZWKOTPCHSA-N 1 3 367.331 3.337 20 0 FGADHO C[NH+]1CCC(C)(CNCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800263358 724172324 /nfs/dbraw/zinc/17/23/24/724172324.db2.gz WQGKLPNSVAPTHP-UHFFFAOYSA-N 1 3 354.520 3.312 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818980753 727333797 /nfs/dbraw/zinc/33/37/97/727333797.db2.gz NDDIJRPMJCUFII-QGZVFWFLSA-N 1 3 373.310 3.332 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818985096 727334332 /nfs/dbraw/zinc/33/43/32/727334332.db2.gz NYONSVRLYQWANO-GOSISDBHSA-N 1 3 366.864 3.243 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccccc1Br ZINC000819278591 727363816 /nfs/dbraw/zinc/36/38/16/727363816.db2.gz RWTISJXVRKJXOW-KVULBXGLSA-N 1 3 353.304 3.089 20 0 FGADHO C[C@H]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451633 729176542 /nfs/dbraw/zinc/17/65/42/729176542.db2.gz NMAUHSNACKHSJF-DOTOQJQBSA-N 1 3 351.535 3.381 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831412781 729640565 /nfs/dbraw/zinc/64/05/65/729640565.db2.gz XMXSREMFMJIFMH-QGZVFWFLSA-N 1 3 368.953 3.260 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566636 729814916 /nfs/dbraw/zinc/81/49/16/729814916.db2.gz PTLVZAFTUVTONT-KSZLIROESA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566637 729814981 /nfs/dbraw/zinc/81/49/81/729814981.db2.gz PTLVZAFTUVTONT-KURKYZTESA-N 1 3 353.551 3.484 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000841075630 730208009 /nfs/dbraw/zinc/20/80/09/730208009.db2.gz TVECFNMVPSAALQ-QTUASDBPSA-N 1 3 366.571 3.488 20 0 FGADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364211 730611140 /nfs/dbraw/zinc/61/11/40/730611140.db2.gz RQZKNGLRRXWLBL-ZDUSSCGKSA-N 1 3 370.324 3.246 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172481 730690487 /nfs/dbraw/zinc/69/04/87/730690487.db2.gz UXIQJDAYQUOTBR-SJORKVTESA-N 1 3 366.937 3.060 20 0 FGADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554197 731372297 /nfs/dbraw/zinc/37/22/97/731372297.db2.gz DARCQHDNFUWDIB-MAUKXSAKSA-N 1 3 373.324 3.260 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492103 732220049 /nfs/dbraw/zinc/22/00/49/732220049.db2.gz SZKMREOUBPMTTN-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491474 732220296 /nfs/dbraw/zinc/22/02/96/732220296.db2.gz IRQHZLOKVRSARK-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO Cc1sc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000873055159 735714829 /nfs/dbraw/zinc/71/48/29/735714829.db2.gz DXCFXGWUQIEVGZ-CYBMUJFWSA-N 1 3 373.360 3.410 20 0 FGADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000876725149 736136464 /nfs/dbraw/zinc/13/64/64/736136464.db2.gz GDIABDBPMAVNDM-UHFFFAOYSA-N 1 3 358.511 3.232 20 0 FGADHO C[NH+]1CCC(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000891707891 739929155 /nfs/dbraw/zinc/92/91/55/739929155.db2.gz AEJPRBMXAGYYEF-UHFFFAOYSA-N 1 3 365.905 3.038 20 0 FGADHO [NH3+]CCCC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902367683 743737728 /nfs/dbraw/zinc/73/77/28/743737728.db2.gz FBTVGOQJXZYIQU-CRAIPNDOSA-N 1 3 354.441 3.410 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391543 758911578 /nfs/dbraw/zinc/91/15/78/758911578.db2.gz WMVHFCCXJYGNJQ-VXNCWWDNSA-N 1 3 363.889 3.051 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391543 758911581 /nfs/dbraw/zinc/91/15/81/758911581.db2.gz WMVHFCCXJYGNJQ-VXNCWWDNSA-N 1 3 363.889 3.051 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393949 758913887 /nfs/dbraw/zinc/91/38/87/758913887.db2.gz NZUFPCJHLQTGJL-LFGUQSLTSA-N 1 3 365.587 3.301 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393949 758913892 /nfs/dbraw/zinc/91/38/92/758913892.db2.gz NZUFPCJHLQTGJL-LFGUQSLTSA-N 1 3 365.587 3.301 20 0 FGADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372909 759106900 /nfs/dbraw/zinc/10/69/00/759106900.db2.gz KIFUAURFWWSCJB-GOEBONIOSA-N 1 3 361.313 3.230 20 0 FGADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925778919 759536341 /nfs/dbraw/zinc/53/63/41/759536341.db2.gz VHYYTBJARRNBGQ-JQWIXIFHSA-N 1 3 365.237 3.354 20 0 FGADHO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)CC2 ZINC000925786592 759538863 /nfs/dbraw/zinc/53/88/63/759538863.db2.gz XANHOFIRSVPWMY-FZMZJTMJSA-N 1 3 350.331 3.407 20 0 FGADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857558 759561558 /nfs/dbraw/zinc/56/15/58/759561558.db2.gz PNRZWJBFUWWLGX-SWLSCSKDSA-N 1 3 362.857 3.422 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455409 /nfs/dbraw/zinc/45/54/09/760455409.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455413 /nfs/dbraw/zinc/45/54/13/760455413.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455421 /nfs/dbraw/zinc/45/54/21/760455421.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455425 /nfs/dbraw/zinc/45/54/25/760455425.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCC[NH+]1CCCCC1)C2 ZINC000934610363 761675390 /nfs/dbraw/zinc/67/53/90/761675390.db2.gz ILRZQLJZCBCMAP-KSZLIROESA-N 1 3 351.535 3.240 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894279 210194772 /nfs/dbraw/zinc/19/47/72/210194772.db2.gz FWDOPMPJIZPLKO-MFKCLSPESA-N 1 3 370.537 3.215 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNCCC(=O)Nc3cccnc3)cc2)CC1 ZINC000570897404 505605537 /nfs/dbraw/zinc/60/55/37/505605537.db2.gz PCEDUQNTALKRNX-UHFFFAOYSA-N 1 3 366.509 3.432 20 0 FGADHO O=C(CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955634 505619823 /nfs/dbraw/zinc/61/98/23/505619823.db2.gz UDECTPJEDKPHPR-QGZVFWFLSA-N 1 3 373.447 3.405 20 0 FGADHO O=C(CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955634 505619829 /nfs/dbraw/zinc/61/98/29/505619829.db2.gz UDECTPJEDKPHPR-QGZVFWFLSA-N 1 3 373.447 3.405 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000576940895 505629579 /nfs/dbraw/zinc/62/95/79/505629579.db2.gz JTBATUXCAWTCQD-CTXDPNEZSA-N 1 3 370.541 3.076 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879374 505637627 /nfs/dbraw/zinc/63/76/27/505637627.db2.gz BVSFUTVWGULGFC-YLJYHZDGSA-N 1 3 361.505 3.199 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879374 505637631 /nfs/dbraw/zinc/63/76/31/505637631.db2.gz BVSFUTVWGULGFC-YLJYHZDGSA-N 1 3 361.505 3.199 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902455 505647861 /nfs/dbraw/zinc/64/78/61/505647861.db2.gz VXTSTAGVBQPCSI-ICSRJNTNSA-N 1 3 374.916 3.244 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000571174767 505672129 /nfs/dbraw/zinc/67/21/29/505672129.db2.gz VVZMFSGHDXOCOZ-UHFFFAOYSA-N 1 3 366.509 3.004 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000048395059 493825703 /nfs/dbraw/zinc/82/57/03/493825703.db2.gz HZKKDPMXMUPHCO-GOSISDBHSA-N 1 3 364.559 3.057 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976170 493889050 /nfs/dbraw/zinc/88/90/50/493889050.db2.gz CTZRTPGEFWXUEK-JOCHJYFZSA-N 1 3 363.505 3.287 20 0 FGADHO C[C@@H](C1CC1)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675130 493948664 /nfs/dbraw/zinc/94/86/64/493948664.db2.gz AMBLRPHCMYMGMO-KRWDZBQOSA-N 1 3 355.526 3.162 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069295889 493951800 /nfs/dbraw/zinc/95/18/00/493951800.db2.gz METSPRBWRLLYNA-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069295889 493951802 /nfs/dbraw/zinc/95/18/02/493951802.db2.gz METSPRBWRLLYNA-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076983330 494002238 /nfs/dbraw/zinc/00/22/38/494002238.db2.gz FHSMCTVWENOIOT-HXUWFJFHSA-N 1 3 372.557 3.297 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000076983330 494002240 /nfs/dbraw/zinc/00/22/40/494002240.db2.gz FHSMCTVWENOIOT-HXUWFJFHSA-N 1 3 372.557 3.297 20 0 FGADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000063407985 494052590 /nfs/dbraw/zinc/05/25/90/494052590.db2.gz SGQZSJQZSGRMTI-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000077376727 494070081 /nfs/dbraw/zinc/07/00/81/494070081.db2.gz TXHNZDTXQMOVFW-CQSZACIVSA-N 1 3 371.447 3.156 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000577270830 505698271 /nfs/dbraw/zinc/69/82/71/505698271.db2.gz MDHNPADKDKGGCI-MOPGFXCFSA-N 1 3 350.466 3.034 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000577270830 505698273 /nfs/dbraw/zinc/69/82/73/505698273.db2.gz MDHNPADKDKGGCI-MOPGFXCFSA-N 1 3 350.466 3.034 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063727542 494081041 /nfs/dbraw/zinc/08/10/41/494081041.db2.gz WGOAZXFLYWQLMZ-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000063727542 494081045 /nfs/dbraw/zinc/08/10/45/494081045.db2.gz WGOAZXFLYWQLMZ-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000063727542 494081050 /nfs/dbraw/zinc/08/10/50/494081050.db2.gz WGOAZXFLYWQLMZ-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000064228623 494107622 /nfs/dbraw/zinc/10/76/22/494107622.db2.gz BBXCJBCACLJUOH-SFHVURJKSA-N 1 3 360.546 3.058 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000064228623 494107624 /nfs/dbraw/zinc/10/76/24/494107624.db2.gz BBXCJBCACLJUOH-SFHVURJKSA-N 1 3 360.546 3.058 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000085390201 494119584 /nfs/dbraw/zinc/11/95/84/494119584.db2.gz JPYVRMBXEULFBP-PXNSSMCTSA-N 1 3 360.546 3.010 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000085388349 494119876 /nfs/dbraw/zinc/11/98/76/494119876.db2.gz XXZUXGYRIKVWFV-PXNSSMCTSA-N 1 3 360.546 3.010 20 0 FGADHO O=C(CN(Cc1ccccc1)CC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064515343 494129854 /nfs/dbraw/zinc/12/98/54/494129854.db2.gz WQABKKXLVJNWCE-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000064735794 494144384 /nfs/dbraw/zinc/14/43/84/494144384.db2.gz GEAIHOUNTJWGEZ-CEXWTWQISA-N 1 3 373.541 3.104 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000064735794 494144386 /nfs/dbraw/zinc/14/43/86/494144386.db2.gz GEAIHOUNTJWGEZ-CEXWTWQISA-N 1 3 373.541 3.104 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000072796788 494251982 /nfs/dbraw/zinc/25/19/82/494251982.db2.gz VVFBOKQSVSKOCE-OAQYLSRUSA-N 1 3 366.509 3.026 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000088687623 494255149 /nfs/dbraw/zinc/25/51/49/494255149.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000088687623 494255153 /nfs/dbraw/zinc/25/51/53/494255153.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 1 3 358.574 3.040 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(CN(C)C)cc2)CC1 ZINC000072863552 494270422 /nfs/dbraw/zinc/27/04/22/494270422.db2.gz OSQXYCDTLQHBGG-UHFFFAOYSA-N 1 3 352.482 3.307 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000089214709 494273771 /nfs/dbraw/zinc/27/37/71/494273771.db2.gz HLYWMWVLJGVMJE-IVCQMTBJSA-N 1 3 357.523 3.386 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)CC(F)(F)F ZINC000568500756 505710617 /nfs/dbraw/zinc/71/06/17/505710617.db2.gz FBRGENLFYBRSHX-OAHLLOKOSA-N 1 3 364.839 3.455 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365046 505713992 /nfs/dbraw/zinc/71/39/92/505713992.db2.gz OPVWUEDJUADPIX-JKSUJKDBSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365046 505713996 /nfs/dbraw/zinc/71/39/96/505713996.db2.gz OPVWUEDJUADPIX-JKSUJKDBSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533227 494363908 /nfs/dbraw/zinc/36/39/08/494363908.db2.gz OIWIAFUWDQAIGQ-STQMWFEESA-N 1 3 358.267 3.284 20 0 FGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533227 494363913 /nfs/dbraw/zinc/36/39/13/494363913.db2.gz OIWIAFUWDQAIGQ-STQMWFEESA-N 1 3 358.267 3.284 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000067062779 494466898 /nfs/dbraw/zinc/46/68/98/494466898.db2.gz XDTHYHROVXWWMR-GOSISDBHSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1CN1CCCCC1)C[NH+]1CCCC1 ZINC000079925539 494551596 /nfs/dbraw/zinc/55/15/96/494551596.db2.gz SRBYECMARDDKED-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000080056160 494578227 /nfs/dbraw/zinc/57/82/27/494578227.db2.gz LNNJMSQVJDOQIO-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000091288708 494578231 /nfs/dbraw/zinc/57/82/31/494578231.db2.gz VIMMIBFCAHXZKJ-JOCHJYFZSA-N 1 3 352.526 3.316 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C)cc1 ZINC000067705645 494616545 /nfs/dbraw/zinc/61/65/45/494616545.db2.gz WCEUUQSSGUFZTH-OAQYLSRUSA-N 1 3 368.525 3.159 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164833 494619998 /nfs/dbraw/zinc/61/99/98/494619998.db2.gz PCWKGWVPBMTWJP-CTNGQTDRSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164833 494620004 /nfs/dbraw/zinc/62/00/04/494620004.db2.gz PCWKGWVPBMTWJP-CTNGQTDRSA-N 1 3 374.573 3.269 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249933 494666159 /nfs/dbraw/zinc/66/61/59/494666159.db2.gz NXNCDFRBSGYHJW-RTBURBONSA-N 1 3 369.557 3.105 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@@H](C)O1 ZINC000092587032 494677576 /nfs/dbraw/zinc/67/75/76/494677576.db2.gz SENHHSOEVHIBDA-RTBURBONSA-N 1 3 368.525 3.194 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745514 494736248 /nfs/dbraw/zinc/73/62/48/494736248.db2.gz FIDUBZWILOCBTP-SFHVURJKSA-N 1 3 369.509 3.422 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745514 494736254 /nfs/dbraw/zinc/73/62/54/494736254.db2.gz FIDUBZWILOCBTP-SFHVURJKSA-N 1 3 369.509 3.422 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561908 494740929 /nfs/dbraw/zinc/74/09/29/494740929.db2.gz MPQQLANEMOYYSJ-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561908 494740934 /nfs/dbraw/zinc/74/09/34/494740934.db2.gz MPQQLANEMOYYSJ-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410839 494759952 /nfs/dbraw/zinc/75/99/52/494759952.db2.gz QZYBUAZXRYITQL-PZJWPPBQSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410839 494759957 /nfs/dbraw/zinc/75/99/57/494759957.db2.gz QZYBUAZXRYITQL-PZJWPPBQSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821112 494763453 /nfs/dbraw/zinc/76/34/53/494763453.db2.gz ZZTCNOVEFHJQQH-SFHVURJKSA-N 1 3 358.530 3.021 20 0 FGADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)CC1 ZINC000092165530 494802699 /nfs/dbraw/zinc/80/26/99/494802699.db2.gz OZGUXZZJPASBSW-UHFFFAOYSA-N 1 3 360.498 3.317 20 0 FGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)CC1 ZINC000092165530 494802703 /nfs/dbraw/zinc/80/27/03/494802703.db2.gz OZGUXZZJPASBSW-UHFFFAOYSA-N 1 3 360.498 3.317 20 0 FGADHO CC[C@@H](C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116740575 494846035 /nfs/dbraw/zinc/84/60/35/494846035.db2.gz IQVOZKMLOOBULE-XMSQKQJNSA-N 1 3 371.569 3.491 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917180 494889785 /nfs/dbraw/zinc/88/97/85/494889785.db2.gz VKAAKHFKXCJRPY-VQIMIIECSA-N 1 3 365.949 3.478 20 0 FGADHO CCC1(CO)CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000093592118 494902344 /nfs/dbraw/zinc/90/23/44/494902344.db2.gz PHUIPYGKRGCLJL-UHFFFAOYSA-N 1 3 359.558 3.202 20 0 FGADHO O=c1[nH]c(CCN2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccc21 ZINC000122148958 494931877 /nfs/dbraw/zinc/93/18/77/494931877.db2.gz XDTHNGOSFWWGON-UHFFFAOYSA-N 1 3 368.525 3.054 20 0 FGADHO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(OCCN(C)C)c1 ZINC000132850264 494932767 /nfs/dbraw/zinc/93/27/67/494932767.db2.gz NLGYMYNJKBYHDB-QGZVFWFLSA-N 1 3 373.566 3.397 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000122174420 494935893 /nfs/dbraw/zinc/93/58/93/494935893.db2.gz SHOYZOFXGJDHPG-UHFFFAOYSA-N 1 3 362.514 3.028 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000122174420 494935896 /nfs/dbraw/zinc/93/58/96/494935896.db2.gz SHOYZOFXGJDHPG-UHFFFAOYSA-N 1 3 362.514 3.028 20 0 FGADHO Cc1cccc([C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257345 494948289 /nfs/dbraw/zinc/94/82/89/494948289.db2.gz BRZAGKHCBGBQKW-NRFANRHFSA-N 1 3 357.542 3.429 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccccc4)CCC3)CC2)CC1 ZINC000134072714 495101450 /nfs/dbraw/zinc/10/14/50/495101450.db2.gz ITXGYKFENJPPGE-UHFFFAOYSA-N 1 3 369.553 3.074 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000577601435 505761588 /nfs/dbraw/zinc/76/15/88/505761588.db2.gz IYBGCRYQTHGJTN-IFMALSPDSA-N 1 3 369.553 3.060 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000102005293 495114433 /nfs/dbraw/zinc/11/44/33/495114433.db2.gz DUVPYIPIKHFCNL-FQEVSTJZSA-N 1 3 360.546 3.161 20 0 FGADHO CC(C)CC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545229 495187750 /nfs/dbraw/zinc/18/77/50/495187750.db2.gz STFDVULVNVADDT-FQEVSTJZSA-N 1 3 364.578 3.155 20 0 FGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)Cn2cc(Br)cn2)c1 ZINC000123943887 495210331 /nfs/dbraw/zinc/21/03/31/495210331.db2.gz RDPJABKEFHDWLG-CQSZACIVSA-N 1 3 365.319 3.276 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)Cn2cc(Br)cn2)c1 ZINC000123943887 495210333 /nfs/dbraw/zinc/21/03/33/495210333.db2.gz RDPJABKEFHDWLG-CQSZACIVSA-N 1 3 365.319 3.276 20 0 FGADHO CC(C)CC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000119659453 495211933 /nfs/dbraw/zinc/21/19/33/495211933.db2.gz WTYQWOVGILWZQD-UHFFFAOYSA-N 1 3 364.578 3.061 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000119726587 495227763 /nfs/dbraw/zinc/22/77/63/495227763.db2.gz WRFSPVLYWLVTSG-UHFFFAOYSA-N 1 3 354.498 3.311 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000119765811 495235540 /nfs/dbraw/zinc/23/55/40/495235540.db2.gz BGNCAGLISZPAMG-UHFFFAOYSA-N 1 3 366.509 3.215 20 0 FGADHO Cc1ccc(C(C)(C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000124421501 495284483 /nfs/dbraw/zinc/28/44/83/495284483.db2.gz SAGZXSMMQLMQLH-UHFFFAOYSA-N 1 3 371.569 3.338 20 0 FGADHO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CCN(C)CC1 ZINC000105079707 495334178 /nfs/dbraw/zinc/33/41/78/495334178.db2.gz DPJWROBXVVLUMV-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1nc2c(s1)[C@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CCC2 ZINC000124739847 495335812 /nfs/dbraw/zinc/33/58/12/495335812.db2.gz KYCIYMBTEXRLLA-QGZVFWFLSA-N 1 3 362.587 3.369 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000124752593 495337871 /nfs/dbraw/zinc/33/78/71/495337871.db2.gz KXMRMGPBARMGSA-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000580533177 505780785 /nfs/dbraw/zinc/78/07/85/505780785.db2.gz NMMNFWSVSXSCMG-HXUWFJFHSA-N 1 3 368.525 3.355 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000580533177 505780790 /nfs/dbraw/zinc/78/07/90/505780790.db2.gz NMMNFWSVSXSCMG-HXUWFJFHSA-N 1 3 368.525 3.355 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513835 495459543 /nfs/dbraw/zinc/45/95/43/495459543.db2.gz ZUBJBAJQAGEWLB-TZIWHRDSSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513835 495459546 /nfs/dbraw/zinc/45/95/46/495459546.db2.gz ZUBJBAJQAGEWLB-TZIWHRDSSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(C[C@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880544 495460476 /nfs/dbraw/zinc/46/04/76/495460476.db2.gz GXLRZFMDVNLEQG-HXUWFJFHSA-N 1 3 355.526 3.033 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374048 495536759 /nfs/dbraw/zinc/53/67/59/495536759.db2.gz MHUNPQIFYCLXTF-FXAWDEMLSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374048 495536764 /nfs/dbraw/zinc/53/67/64/495536764.db2.gz MHUNPQIFYCLXTF-FXAWDEMLSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374108 495537365 /nfs/dbraw/zinc/53/73/65/495537365.db2.gz MHUNPQIFYCLXTF-XLIONFOSSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374108 495537372 /nfs/dbraw/zinc/53/73/72/495537372.db2.gz MHUNPQIFYCLXTF-XLIONFOSSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000176210994 495548311 /nfs/dbraw/zinc/54/83/11/495548311.db2.gz BQKWBNHHQPMSSM-WDSOQIARSA-N 1 3 360.546 3.288 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154230989 495551764 /nfs/dbraw/zinc/55/17/64/495551764.db2.gz KHNOUYJOJWREEX-MRXNPFEDSA-N 1 3 355.473 3.275 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000154233481 495552251 /nfs/dbraw/zinc/55/22/51/495552251.db2.gz QUUMWEPQWBYIES-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182448255 495568915 /nfs/dbraw/zinc/56/89/15/495568915.db2.gz JZLOWUMBJZQOAY-ZRCGQRJVSA-N 1 3 374.569 3.191 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCCCN2CCCCC2)cc1 ZINC000185443016 495578489 /nfs/dbraw/zinc/57/84/89/495578489.db2.gz ROZWXGZXZFDMOV-IBGZPJMESA-N 1 3 366.571 3.403 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)CCn3cccn3)CC2)cc1 ZINC000158772500 495586175 /nfs/dbraw/zinc/58/61/75/495586175.db2.gz IISPBNNIDPHAOK-GOSISDBHSA-N 1 3 356.514 3.172 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000158827784 495596497 /nfs/dbraw/zinc/59/64/97/495596497.db2.gz AXXKBVPRGKZASM-SZOBAZRNSA-N 1 3 368.521 3.352 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000158827784 495596503 /nfs/dbraw/zinc/59/65/03/495596503.db2.gz AXXKBVPRGKZASM-SZOBAZRNSA-N 1 3 368.521 3.352 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179581241 495648397 /nfs/dbraw/zinc/64/83/97/495648397.db2.gz IIAPHRFXRSLOIY-SFTDATJTSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709487 495672516 /nfs/dbraw/zinc/67/25/16/495672516.db2.gz IFVPFCABORCSOT-FQEVSTJZSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@@H]1[C@H](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674065 495674257 /nfs/dbraw/zinc/67/42/57/495674257.db2.gz NHUFSAYUFYLADB-WIYYLYMNSA-N 1 3 357.542 3.196 20 0 FGADHO CCCN(C(=O)NC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000171003263 495684368 /nfs/dbraw/zinc/68/43/68/495684368.db2.gz GEVQVXXZGJXEGX-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)s1 ZINC000150958819 495694221 /nfs/dbraw/zinc/69/42/21/495694221.db2.gz TWNWQEDXIBONHY-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000182782294 495700684 /nfs/dbraw/zinc/70/06/84/495700684.db2.gz CYULAUIJZPVBMD-NRFANRHFSA-N 1 3 369.484 3.284 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000151001230 495707479 /nfs/dbraw/zinc/70/74/79/495707479.db2.gz GBDUSEXJUJMUSQ-KRWDZBQOSA-N 1 3 363.521 3.447 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000151075409 495730271 /nfs/dbraw/zinc/73/02/71/495730271.db2.gz IDWVVDGRVDYMIP-FCHUYYIVSA-N 1 3 359.558 3.248 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@@H](C)O1 ZINC000171303657 495812101 /nfs/dbraw/zinc/81/21/01/495812101.db2.gz JUSINGJLQRPJSB-RTBURBONSA-N 1 3 368.525 3.194 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000174345190 495920060 /nfs/dbraw/zinc/92/00/60/495920060.db2.gz LLPSLASGOQCJIF-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO Cn1ccnc1[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000183368483 495949947 /nfs/dbraw/zinc/94/99/47/495949947.db2.gz FEWFVEDHZKKCGV-OAQYLSRUSA-N 1 3 368.525 3.178 20 0 FGADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000155624473 496017297 /nfs/dbraw/zinc/01/72/97/496017297.db2.gz SIDROLQHOWLYAP-HZPDHXFCSA-N 1 3 353.938 3.415 20 0 FGADHO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1CCCCCC1 ZINC000155663158 496028773 /nfs/dbraw/zinc/02/87/73/496028773.db2.gz CPYVWCBFEZFJOQ-KRWDZBQOSA-N 1 3 358.530 3.396 20 0 FGADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000155695689 496038285 /nfs/dbraw/zinc/03/82/85/496038285.db2.gz FZDVVUYULWVRPA-RDJZCZTQSA-N 1 3 355.473 3.355 20 0 FGADHO Cc1ncsc1CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484462 496080765 /nfs/dbraw/zinc/08/07/65/496080765.db2.gz WQDMEWOUKGIANK-IYBDPMFKSA-N 1 3 351.560 3.205 20 0 FGADHO O=C(CN1C[C@H]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513862 496093182 /nfs/dbraw/zinc/09/31/82/496093182.db2.gz LSYYOHQDOJVLSI-NHCUHLMSSA-N 1 3 355.526 3.021 20 0 FGADHO Cc1ccc(NC(=O)[C@@H](C)N2[C@@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838582 496132270 /nfs/dbraw/zinc/13/22/70/496132270.db2.gz DYKYPCJYGJYYGY-YESZJQIVSA-N 1 3 374.529 3.085 20 0 FGADHO Cc1ccc(-c2cc(CN(C)CCN(C)C3CC[NH+](C)CC3)on2)cc1 ZINC000180935741 496207710 /nfs/dbraw/zinc/20/77/10/496207710.db2.gz LYXJXHBFNHEPGH-UHFFFAOYSA-N 1 3 356.514 3.108 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000152681763 496224141 /nfs/dbraw/zinc/22/41/41/496224141.db2.gz UVSZMWGZJIXJGP-YNIZLOQISA-N 1 3 364.578 3.154 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582361 496284770 /nfs/dbraw/zinc/28/47/70/496284770.db2.gz NIBMLDWLIRJZPN-XUJVJEKNSA-N 1 3 358.267 3.425 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582361 496284775 /nfs/dbraw/zinc/28/47/75/496284775.db2.gz NIBMLDWLIRJZPN-XUJVJEKNSA-N 1 3 358.267 3.425 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000172416987 496289888 /nfs/dbraw/zinc/28/98/88/496289888.db2.gz YWQUINPLIAQZRA-UHFFFAOYSA-N 1 3 367.537 3.162 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181294812 496343822 /nfs/dbraw/zinc/34/38/22/496343822.db2.gz DUXVMTUOXQDGQM-QGZVFWFLSA-N 1 3 360.546 3.069 20 0 FGADHO COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1F ZINC000153080812 496347064 /nfs/dbraw/zinc/34/70/64/496347064.db2.gz NIAYNGAEPQZUPS-QGZVFWFLSA-N 1 3 371.500 3.433 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181307019 496348310 /nfs/dbraw/zinc/34/83/10/496348310.db2.gz NNLBWYLDKGACHX-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000172749542 496415140 /nfs/dbraw/zinc/41/51/40/496415140.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 1 3 365.521 3.485 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000172749542 496415143 /nfs/dbraw/zinc/41/51/43/496415143.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCN1CCCC1 ZINC000178413819 496446546 /nfs/dbraw/zinc/44/65/46/496446546.db2.gz OTTRGKYVYDEIGB-INIZCTEOSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000178413819 496446553 /nfs/dbraw/zinc/44/65/53/496446553.db2.gz OTTRGKYVYDEIGB-INIZCTEOSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000184654840 496481084 /nfs/dbraw/zinc/48/10/84/496481084.db2.gz SUNVPILBESMJIK-ZWKOTPCHSA-N 1 3 357.542 3.324 20 0 FGADHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163311933 496496248 /nfs/dbraw/zinc/49/62/48/496496248.db2.gz OGCZRAAFLSWRBJ-OAHLLOKOSA-N 1 3 353.913 3.375 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000175730104 496519233 /nfs/dbraw/zinc/51/92/33/496519233.db2.gz ATHQMKGHXVMGSW-LEWJYISDSA-N 1 3 372.557 3.131 20 0 FGADHO C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056062 496535514 /nfs/dbraw/zinc/53/55/14/496535514.db2.gz RARLHVRUCOGHCB-SJLPKXTDSA-N 1 3 363.521 3.130 20 0 FGADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000163601347 496537433 /nfs/dbraw/zinc/53/74/33/496537433.db2.gz WLSUHSBOGMTSKE-QGZVFWFLSA-N 1 3 366.571 3.499 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](N)c1ccccc1 ZINC000178688574 496542441 /nfs/dbraw/zinc/54/24/41/496542441.db2.gz DGDIAPSDFQPGGB-XMSQKQJNSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000158159698 496639743 /nfs/dbraw/zinc/63/97/43/496639743.db2.gz DOJPUTPRDRBYGW-MJGOQNOKSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000164946595 496641298 /nfs/dbraw/zinc/64/12/98/496641298.db2.gz KSHDMUNSYLPNJO-KRWDZBQOSA-N 1 3 355.482 3.306 20 0 FGADHO C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164946595 496641302 /nfs/dbraw/zinc/64/13/02/496641302.db2.gz KSHDMUNSYLPNJO-KRWDZBQOSA-N 1 3 355.482 3.306 20 0 FGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158182818 496644832 /nfs/dbraw/zinc/64/48/32/496644832.db2.gz JMBXYGQNJOWQDD-INIZCTEOSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+]1CCCC1 ZINC000165318006 496655334 /nfs/dbraw/zinc/65/53/34/496655334.db2.gz UZSNQXIFYPQXLQ-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN1CCCC1 ZINC000165318006 496655340 /nfs/dbraw/zinc/65/53/40/496655340.db2.gz UZSNQXIFYPQXLQ-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147543 496678211 /nfs/dbraw/zinc/67/82/11/496678211.db2.gz NLBFGUNKTLZAHL-IFMALSPDSA-N 1 3 359.558 3.162 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182264815 496723158 /nfs/dbraw/zinc/72/31/58/496723158.db2.gz FQTSRNKBWJZBKU-UZLBHIALSA-N 1 3 370.493 3.121 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182264815 496723162 /nfs/dbraw/zinc/72/31/62/496723162.db2.gz FQTSRNKBWJZBKU-UZLBHIALSA-N 1 3 370.493 3.121 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064558 496768475 /nfs/dbraw/zinc/76/84/75/496768475.db2.gz NZVOHIGIAFCWNS-GZBFAFLISA-N 1 3 360.420 3.455 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000247088571 496776334 /nfs/dbraw/zinc/77/63/34/496776334.db2.gz PHAQXIQQUOYUNJ-QZTJIDSGSA-N 1 3 356.514 3.382 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247119002 496784185 /nfs/dbraw/zinc/78/41/85/496784185.db2.gz AIZQWVWNSDFOFB-YRNRMSPPSA-N 1 3 351.485 3.249 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247119002 496784189 /nfs/dbraw/zinc/78/41/89/496784189.db2.gz AIZQWVWNSDFOFB-YRNRMSPPSA-N 1 3 351.485 3.249 20 0 FGADHO CCOc1ccc([C@@H](CC)NCCC[NH+]2CCC(O)CC2)cc1OCC ZINC000268882215 496812556 /nfs/dbraw/zinc/81/25/56/496812556.db2.gz XXOMAGPKLGVTGB-LJQANCHMSA-N 1 3 364.530 3.372 20 0 FGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268883090 496813777 /nfs/dbraw/zinc/81/37/77/496813777.db2.gz KPJDCWZNRBZILM-AWEZNQCLSA-N 1 3 374.497 3.456 20 0 FGADHO C[C@@H]1C[C@H](NCc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961834 496836246 /nfs/dbraw/zinc/83/62/46/496836246.db2.gz XTCPJGYRICDQOZ-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@H](NCc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961834 496836251 /nfs/dbraw/zinc/83/62/51/496836251.db2.gz XTCPJGYRICDQOZ-WIYYLYMNSA-N 1 3 361.493 3.410 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000569176271 505869273 /nfs/dbraw/zinc/86/92/73/505869273.db2.gz LXQWRXXMRGXKIB-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000247642951 496898501 /nfs/dbraw/zinc/89/85/01/496898501.db2.gz TXYRFDHEZQQASB-SIKLNZKXSA-N 1 3 369.553 3.340 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926124 496929261 /nfs/dbraw/zinc/92/92/61/496929261.db2.gz BPTWMKNDWANJLQ-OLZOCXBDSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926124 496929262 /nfs/dbraw/zinc/92/92/62/496929262.db2.gz BPTWMKNDWANJLQ-OLZOCXBDSA-N 1 3 361.349 3.398 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000195473402 496934005 /nfs/dbraw/zinc/93/40/05/496934005.db2.gz LFPTZEGSUFFBQR-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000248035723 496945414 /nfs/dbraw/zinc/94/54/14/496945414.db2.gz LESCQYBXQRKXJK-JBACZVJFSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000248035723 496945421 /nfs/dbraw/zinc/94/54/21/496945421.db2.gz LESCQYBXQRKXJK-JBACZVJFSA-N 1 3 355.526 3.203 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062705 496950429 /nfs/dbraw/zinc/95/04/29/496950429.db2.gz YXICMSRAEDNDKC-UEXGIBASSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062705 496950435 /nfs/dbraw/zinc/95/04/35/496950435.db2.gz YXICMSRAEDNDKC-UEXGIBASSA-N 1 3 371.529 3.055 20 0 FGADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248420617 497004937 /nfs/dbraw/zinc/00/49/37/497004937.db2.gz XGOGOFZBQIGTSY-HLRQEUIKSA-N 1 3 352.526 3.328 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248737583 497094295 /nfs/dbraw/zinc/09/42/95/497094295.db2.gz XOSCWQMDAUDXDH-PZJWPPBQSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788001 497104825 /nfs/dbraw/zinc/10/48/25/497104825.db2.gz IMXKNWNOYMPLNX-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000248789078 497105043 /nfs/dbraw/zinc/10/50/43/497105043.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248789078 497105045 /nfs/dbraw/zinc/10/50/45/497105045.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO COCCC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCCCC1 ZINC000189398159 497105755 /nfs/dbraw/zinc/10/57/55/497105755.db2.gz PTOHXKSTBUZNCW-NRFANRHFSA-N 1 3 360.542 3.330 20 0 FGADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C2 ZINC000192439512 497114523 /nfs/dbraw/zinc/11/45/23/497114523.db2.gz FNCXESGPATYBSL-LJQANCHMSA-N 1 3 354.494 3.283 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538445 497143925 /nfs/dbraw/zinc/14/39/25/497143925.db2.gz ASEJDXWUIGYQEA-UHFFFAOYSA-N 1 3 363.933 3.105 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(OCCN(C)C)c1 ZINC000265676782 497158398 /nfs/dbraw/zinc/15/83/98/497158398.db2.gz AVJKOJGBLHCUQX-GOSISDBHSA-N 1 3 374.529 3.028 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000581006870 505889365 /nfs/dbraw/zinc/88/93/65/505889365.db2.gz TUWUSQJSAPQEQY-SFHVURJKSA-N 1 3 366.427 3.460 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754415 497204434 /nfs/dbraw/zinc/20/44/34/497204434.db2.gz SAJPEXBBCWGWOP-MOPGFXCFSA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754415 497204439 /nfs/dbraw/zinc/20/44/39/497204439.db2.gz SAJPEXBBCWGWOP-MOPGFXCFSA-N 1 3 365.587 3.052 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000192810735 497219852 /nfs/dbraw/zinc/21/98/52/497219852.db2.gz HPOMKWZQOCBKDZ-NRFANRHFSA-N 1 3 366.509 3.015 20 0 FGADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237328373 497221590 /nfs/dbraw/zinc/22/15/90/497221590.db2.gz MSBFXYJGXAIOMJ-YSVLISHTSA-N 1 3 371.447 3.060 20 0 FGADHO C[C@@H](CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237375595 497227807 /nfs/dbraw/zinc/22/78/07/497227807.db2.gz RXZGIRIITWWKLC-RBUKOAKNSA-N 1 3 357.542 3.135 20 0 FGADHO COCCOc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192917459 497246543 /nfs/dbraw/zinc/24/65/43/497246543.db2.gz SODHEBJMEQHMTI-FQEVSTJZSA-N 1 3 354.494 3.324 20 0 FGADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000266156495 497269074 /nfs/dbraw/zinc/26/90/74/497269074.db2.gz SASDQTBFGVHHER-OAHLLOKOSA-N 1 3 363.933 3.118 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000237701771 497278205 /nfs/dbraw/zinc/27/82/05/497278205.db2.gz OEWYWIWWOOZMSH-GCJKJVERSA-N 1 3 365.521 3.412 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408026 497392022 /nfs/dbraw/zinc/39/20/22/497392022.db2.gz FFUIKDPLJVZFBU-DENIHFKCSA-N 1 3 371.569 3.491 20 0 FGADHO C[C@H](NC(=O)C[C@@H](N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573985 497415911 /nfs/dbraw/zinc/41/59/11/497415911.db2.gz AXSSDISZINDFGF-IOMROCGXSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H](NC(=O)C[C@@H](N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573985 497415914 /nfs/dbraw/zinc/41/59/14/497415914.db2.gz AXSSDISZINDFGF-IOMROCGXSA-N 1 3 351.494 3.103 20 0 FGADHO CC[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000578293017 505906429 /nfs/dbraw/zinc/90/64/29/505906429.db2.gz JRLKUSGITWFVKD-RISCZKNCSA-N 1 3 364.843 3.486 20 0 FGADHO CC[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000578293017 505906433 /nfs/dbraw/zinc/90/64/33/505906433.db2.gz JRLKUSGITWFVKD-RISCZKNCSA-N 1 3 364.843 3.486 20 0 FGADHO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484566 /nfs/dbraw/zinc/48/45/66/497484566.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 1 3 373.504 3.046 20 0 FGADHO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484571 /nfs/dbraw/zinc/48/45/71/497484571.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 1 3 373.504 3.046 20 0 FGADHO COCCCN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245681732 497499810 /nfs/dbraw/zinc/49/98/10/497499810.db2.gz JADJUNCHMAJPTJ-WBDAEOGXSA-N 1 3 371.569 3.273 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCS2 ZINC000276200187 497519583 /nfs/dbraw/zinc/51/95/83/497519583.db2.gz YOQZBVIQYGISIY-QRVBRYPASA-N 1 3 362.539 3.200 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193996792 497542653 /nfs/dbraw/zinc/54/26/53/497542653.db2.gz ATJZGMWAYALKJA-YPAWHYETSA-N 1 3 369.553 3.136 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245877410 497557574 /nfs/dbraw/zinc/55/75/74/497557574.db2.gz IRZJVNOSULJCQF-WTGUMLROSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194068696 497563020 /nfs/dbraw/zinc/56/30/20/497563020.db2.gz UIYSHVWQJRARJH-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935513 497577682 /nfs/dbraw/zinc/57/76/82/497577682.db2.gz IZKUSQWKBQIBTK-PWRODBHTSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935513 497577684 /nfs/dbraw/zinc/57/76/84/497577684.db2.gz IZKUSQWKBQIBTK-PWRODBHTSA-N 1 3 372.557 3.195 20 0 FGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262650765 497592413 /nfs/dbraw/zinc/59/24/13/497592413.db2.gz RAJSUEHUAKSNKV-RLLQIKCJSA-N 1 3 373.566 3.137 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657850 497593287 /nfs/dbraw/zinc/59/32/87/497593287.db2.gz VRIZSFKEYWYDGX-FPOVZHCZSA-N 1 3 371.569 3.383 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)Cc1ccccc1 ZINC000246148949 497638497 /nfs/dbraw/zinc/63/84/97/497638497.db2.gz KCJBFWJDCRQLKO-JBACZVJFSA-N 1 3 374.573 3.064 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317916 497693218 /nfs/dbraw/zinc/69/32/18/497693218.db2.gz MQEZZGARMJJWIN-MISYRCLQSA-N 1 3 360.546 3.051 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317916 497693225 /nfs/dbraw/zinc/69/32/25/497693225.db2.gz MQEZZGARMJJWIN-MISYRCLQSA-N 1 3 360.546 3.051 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000578368139 505923528 /nfs/dbraw/zinc/92/35/28/505923528.db2.gz DCWUSSLMMHUAAP-OAQYLSRUSA-N 1 3 374.573 3.258 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079932 497702533 /nfs/dbraw/zinc/70/25/33/497702533.db2.gz LTLKFTPHVGYGHL-UYAOXDASSA-N 1 3 362.562 3.153 20 0 FGADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347847 497703968 /nfs/dbraw/zinc/70/39/68/497703968.db2.gz OWKCAFFNQPLXPC-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC000263173542 497724239 /nfs/dbraw/zinc/72/42/39/497724239.db2.gz GAOHCAHYCPELCV-RPUPUWCGSA-N 1 3 357.542 3.406 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422221 497730095 /nfs/dbraw/zinc/73/00/95/497730095.db2.gz SPJOMVMBQOTPEC-WDSOQIARSA-N 1 3 352.567 3.011 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000246432721 497732003 /nfs/dbraw/zinc/73/20/03/497732003.db2.gz MTTVVBYDNGVZKK-NRSPTQNISA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000246432721 497732005 /nfs/dbraw/zinc/73/20/05/497732005.db2.gz MTTVVBYDNGVZKK-NRSPTQNISA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000246510488 497758740 /nfs/dbraw/zinc/75/87/40/497758740.db2.gz UABMWBCCMGLZKI-BULFRSBZSA-N 1 3 368.525 3.291 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000246901108 497819607 /nfs/dbraw/zinc/81/96/07/497819607.db2.gz FHXRWMNIMCRFGO-QZTJIDSGSA-N 1 3 364.530 3.491 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296396 497885057 /nfs/dbraw/zinc/88/50/57/497885057.db2.gz BWUBIUZTEQNGLV-RBBKRZOGSA-N 1 3 361.493 3.358 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296396 497885064 /nfs/dbraw/zinc/88/50/64/497885064.db2.gz BWUBIUZTEQNGLV-RBBKRZOGSA-N 1 3 361.493 3.358 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474129 505943941 /nfs/dbraw/zinc/94/39/41/505943941.db2.gz VUAQEQCNMBNAHG-AYOQOUSVSA-N 1 3 371.504 3.299 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289247259 498076794 /nfs/dbraw/zinc/07/67/94/498076794.db2.gz LOZBKSCEGXAWAD-KVPLUYHFSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289247259 498076797 /nfs/dbraw/zinc/07/67/97/498076797.db2.gz LOZBKSCEGXAWAD-KVPLUYHFSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000572486953 505981516 /nfs/dbraw/zinc/98/15/16/505981516.db2.gz QMLJUVFSONDCEB-RXVVDRJESA-N 1 3 357.542 3.232 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000572486953 505981518 /nfs/dbraw/zinc/98/15/18/505981518.db2.gz QMLJUVFSONDCEB-RXVVDRJESA-N 1 3 357.542 3.232 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(OCCN(C)C)c1 ZINC000281463317 498158938 /nfs/dbraw/zinc/15/89/38/498158938.db2.gz DWZHLVMXFUCFBA-MRXNPFEDSA-N 1 3 374.554 3.403 20 0 FGADHO CCC[NH+]1CCC(N2CCN(CC3(CCOC)CCCCC3)CC2)CC1 ZINC000364853542 498174703 /nfs/dbraw/zinc/17/47/03/498174703.db2.gz KIYFCABROIRAPJ-UHFFFAOYSA-N 1 3 365.606 3.465 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562972 505998243 /nfs/dbraw/zinc/99/82/43/505998243.db2.gz JYIIMBLWEURGPN-KRWDZBQOSA-N 1 3 366.347 3.052 20 0 FGADHO NC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730485 506007429 /nfs/dbraw/zinc/00/74/29/506007429.db2.gz FYYIOPXUNPBXNG-SFTDATJTSA-N 1 3 366.509 3.109 20 0 FGADHO C[C@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286242132 498336348 /nfs/dbraw/zinc/33/63/48/498336348.db2.gz UAJWHHDIXKQOCH-SFHVURJKSA-N 1 3 368.525 3.155 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297288047 498392758 /nfs/dbraw/zinc/39/27/58/498392758.db2.gz WZUWAIYSPPGDCF-UHFFFAOYSA-N 1 3 355.482 3.241 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953242 506040220 /nfs/dbraw/zinc/04/02/20/506040220.db2.gz MBLZVMJFLDAPMF-MXNKGDRCSA-N 1 3 372.553 3.461 20 0 FGADHO COc1cc([C@H](C)NCCCCC[NH+]2CCCC2)ccc1S(C)(=O)=O ZINC000293755474 498478215 /nfs/dbraw/zinc/47/82/15/498478215.db2.gz QTBMFPBSYKHXJZ-INIZCTEOSA-N 1 3 368.543 3.015 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478789 /nfs/dbraw/zinc/47/87/89/498478789.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 1 3 372.513 3.245 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478799 /nfs/dbraw/zinc/47/87/99/498478799.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 1 3 372.513 3.245 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875210 506042171 /nfs/dbraw/zinc/04/21/71/506042171.db2.gz MTOKIUGZISLAHW-PKOBYXMFSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875210 506042172 /nfs/dbraw/zinc/04/21/72/506042172.db2.gz MTOKIUGZISLAHW-PKOBYXMFSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875208 506042684 /nfs/dbraw/zinc/04/26/84/506042684.db2.gz MTOKIUGZISLAHW-IEBWSBKVSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875208 506042687 /nfs/dbraw/zinc/04/26/87/506042687.db2.gz MTOKIUGZISLAHW-IEBWSBKVSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888229 506045717 /nfs/dbraw/zinc/04/57/17/506045717.db2.gz XEYDOLLIFXYKBV-CKEIUWERSA-N 1 3 354.926 3.148 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000297782902 498566317 /nfs/dbraw/zinc/56/63/17/498566317.db2.gz WISRIBDLMMMQSL-LEWJYISDSA-N 1 3 372.463 3.364 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@]1(C)CCCO)C1CCN(C)CC1 ZINC000290553764 498595349 /nfs/dbraw/zinc/59/53/49/498595349.db2.gz RYNPEIFGKMUBSE-JOCHJYFZSA-N 1 3 359.558 3.344 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@]1(C)CCCO)C1CCN(C)CC1 ZINC000290553764 498595355 /nfs/dbraw/zinc/59/53/55/498595355.db2.gz RYNPEIFGKMUBSE-JOCHJYFZSA-N 1 3 359.558 3.344 20 0 FGADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000290599453 498614127 /nfs/dbraw/zinc/61/41/27/498614127.db2.gz VWGWVVQKRMKGPX-LJQANCHMSA-N 1 3 352.482 3.433 20 0 FGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000290599453 498614135 /nfs/dbraw/zinc/61/41/35/498614135.db2.gz VWGWVVQKRMKGPX-LJQANCHMSA-N 1 3 352.482 3.433 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061326 498645061 /nfs/dbraw/zinc/64/50/61/498645061.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061326 498645065 /nfs/dbraw/zinc/64/50/65/498645065.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809678 506067566 /nfs/dbraw/zinc/06/75/66/506067566.db2.gz PUNPGPMSHAOHLL-SQGPQFPESA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809678 506067570 /nfs/dbraw/zinc/06/75/70/506067570.db2.gz PUNPGPMSHAOHLL-SQGPQFPESA-N 1 3 368.949 3.346 20 0 FGADHO C[N@H+](CCOc1cccc(Cl)c1)C1CCN(C2CCOCC2)CC1 ZINC000363098890 498647986 /nfs/dbraw/zinc/64/79/86/498647986.db2.gz GOUZYUACKBYUSO-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO C[N@@H+](CCOc1cccc(Cl)c1)C1CCN(C2CCOCC2)CC1 ZINC000363098890 498647991 /nfs/dbraw/zinc/64/79/91/498647991.db2.gz GOUZYUACKBYUSO-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO COc1ccc([C@@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCCN2C)cc1 ZINC000363136490 498669370 /nfs/dbraw/zinc/66/93/70/498669370.db2.gz JDNDAWOBSLEOJH-VQIMIIECSA-N 1 3 353.470 3.110 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868543 506071178 /nfs/dbraw/zinc/07/11/78/506071178.db2.gz FZDPZORWSNBGCA-GXFFZTMASA-N 1 3 350.816 3.273 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868543 506071181 /nfs/dbraw/zinc/07/11/81/506071181.db2.gz FZDPZORWSNBGCA-GXFFZTMASA-N 1 3 350.816 3.273 20 0 FGADHO COc1cccc(CCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000303937472 498730047 /nfs/dbraw/zinc/73/00/47/498730047.db2.gz RXHLBJUQKCJBER-OALUTQOASA-N 1 3 360.542 3.449 20 0 FGADHO COc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)N2CCCCC2)cc1 ZINC000298385808 498753012 /nfs/dbraw/zinc/75/30/12/498753012.db2.gz LEWSWEVGJXTQSL-QFIPXVFZSA-N 1 3 357.542 3.439 20 0 FGADHO CCc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737013 498763637 /nfs/dbraw/zinc/76/36/37/498763637.db2.gz XEDVMHRWKDIIEY-VXKWHMMOSA-N 1 3 368.521 3.100 20 0 FGADHO CCc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737013 498763642 /nfs/dbraw/zinc/76/36/42/498763642.db2.gz XEDVMHRWKDIIEY-VXKWHMMOSA-N 1 3 368.521 3.100 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000320728117 498809298 /nfs/dbraw/zinc/80/92/98/498809298.db2.gz NCAGABKKPUJXTK-HIFRSBDPSA-N 1 3 361.313 3.055 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936322 498832851 /nfs/dbraw/zinc/83/28/51/498832851.db2.gz YZPVOVASBRWFEN-RHSMWYFYSA-N 1 3 356.507 3.144 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366254512 498843324 /nfs/dbraw/zinc/84/33/24/498843324.db2.gz IHLGJPDIILQBKA-IBGZPJMESA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366254512 498843331 /nfs/dbraw/zinc/84/33/31/498843331.db2.gz IHLGJPDIILQBKA-IBGZPJMESA-N 1 3 351.494 3.000 20 0 FGADHO C[C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@H](N)c1ccccc1 ZINC000366336203 498878916 /nfs/dbraw/zinc/87/89/16/498878916.db2.gz ZJPXAHZUMSVAKN-NQIIRXRSSA-N 1 3 357.542 3.293 20 0 FGADHO COC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](COC)C3)c2)C1 ZINC000295115217 498914016 /nfs/dbraw/zinc/91/40/16/498914016.db2.gz VWBSNOGPCLPJOP-IAGOWNOFSA-N 1 3 366.933 3.277 20 0 FGADHO COC[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](COC)C3)c2)C1 ZINC000295115217 498914017 /nfs/dbraw/zinc/91/40/17/498914017.db2.gz VWBSNOGPCLPJOP-IAGOWNOFSA-N 1 3 366.933 3.277 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782143 498989282 /nfs/dbraw/zinc/98/92/82/498989282.db2.gz GWBJPOYDVNPCMV-URLQWDBASA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782143 498989288 /nfs/dbraw/zinc/98/92/88/498989288.db2.gz GWBJPOYDVNPCMV-URLQWDBASA-N 1 3 368.510 3.067 20 0 FGADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H]1C ZINC000283862818 499002417 /nfs/dbraw/zinc/00/24/17/499002417.db2.gz GJWYRJVJCZKSPA-PLMTUMEDSA-N 1 3 374.525 3.227 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)CC1 ZINC000367064077 499142120 /nfs/dbraw/zinc/14/21/20/499142120.db2.gz BFWJSPSWJCOWKX-FQEVSTJZSA-N 1 3 369.557 3.089 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)CC1 ZINC000367064077 499142123 /nfs/dbraw/zinc/14/21/23/499142123.db2.gz BFWJSPSWJCOWKX-FQEVSTJZSA-N 1 3 369.557 3.089 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000367295287 499175265 /nfs/dbraw/zinc/17/52/65/499175265.db2.gz IWFYTSULHVKLAF-GOSISDBHSA-N 1 3 370.541 3.476 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000367295287 499175268 /nfs/dbraw/zinc/17/52/68/499175268.db2.gz IWFYTSULHVKLAF-GOSISDBHSA-N 1 3 370.541 3.476 20 0 FGADHO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000370160834 499189864 /nfs/dbraw/zinc/18/98/64/499189864.db2.gz IMSYQSPLMFAODD-CRAIPNDOSA-N 1 3 358.511 3.064 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374459 499190502 /nfs/dbraw/zinc/19/05/02/499190502.db2.gz IOJOCDKWOCDODN-RTWAWAEBSA-N 1 3 355.526 3.127 20 0 FGADHO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1OC ZINC000370163821 499190985 /nfs/dbraw/zinc/19/09/85/499190985.db2.gz UHDQTJDSNZZZAB-ACJLOTCBSA-N 1 3 374.510 3.395 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287681 506136892 /nfs/dbraw/zinc/13/68/92/506136892.db2.gz ORYRAGOKTRNTBM-OAQYLSRUSA-N 1 3 354.542 3.391 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287681 506136897 /nfs/dbraw/zinc/13/68/97/506136897.db2.gz ORYRAGOKTRNTBM-OAQYLSRUSA-N 1 3 354.542 3.391 20 0 FGADHO O=C(Cc1ccccc1)N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000367433014 499198298 /nfs/dbraw/zinc/19/82/98/499198298.db2.gz YNQFQYACYQKHAT-NRFANRHFSA-N 1 3 369.553 3.217 20 0 FGADHO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000367474989 499203526 /nfs/dbraw/zinc/20/35/26/499203526.db2.gz RHMMACOXIAZOAM-UHFFFAOYSA-N 1 3 368.525 3.460 20 0 FGADHO Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000367474989 499203527 /nfs/dbraw/zinc/20/35/27/499203527.db2.gz RHMMACOXIAZOAM-UHFFFAOYSA-N 1 3 368.525 3.460 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615370 499235498 /nfs/dbraw/zinc/23/54/98/499235498.db2.gz CDRUWTPRRQXFFL-OTNPHJDUSA-N 1 3 364.505 3.382 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615370 499235500 /nfs/dbraw/zinc/23/55/00/499235500.db2.gz CDRUWTPRRQXFFL-OTNPHJDUSA-N 1 3 364.505 3.382 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638197 499238418 /nfs/dbraw/zinc/23/84/18/499238418.db2.gz WOHOUAHZHFRPKK-GOEBONIOSA-N 1 3 353.457 3.107 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638276 499238589 /nfs/dbraw/zinc/23/85/89/499238589.db2.gz XFBSRQBWVQFGGK-GDBMZVCRSA-N 1 3 371.447 3.404 20 0 FGADHO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccncc2-c2cccnc2)C1 ZINC000367934398 499247409 /nfs/dbraw/zinc/24/74/09/499247409.db2.gz IDYIPYYOMXXHRX-IBGZPJMESA-N 1 3 359.477 3.497 20 0 FGADHO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccncc2-c2cccnc2)C1 ZINC000367934398 499247411 /nfs/dbraw/zinc/24/74/11/499247411.db2.gz IDYIPYYOMXXHRX-IBGZPJMESA-N 1 3 359.477 3.497 20 0 FGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000570322190 506140892 /nfs/dbraw/zinc/14/08/92/506140892.db2.gz ZYSNBWFNYQOHTF-LLVKDONJSA-N 1 3 368.312 3.299 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763382 499252344 /nfs/dbraw/zinc/25/23/44/499252344.db2.gz KANMKXICPVYXIT-TUNNFDKTSA-N 1 3 355.526 3.019 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000368187899 499272605 /nfs/dbraw/zinc/27/26/05/499272605.db2.gz XOFYKVVJNQRMDZ-HXUWFJFHSA-N 1 3 368.525 3.157 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCCn3ccnc31)c1ccccc1O2 ZINC000368361950 499288874 /nfs/dbraw/zinc/28/88/74/499288874.db2.gz DTNRBUJQBJLYMT-IEBWSBKVSA-N 1 3 366.509 3.338 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O2 ZINC000368363063 499289001 /nfs/dbraw/zinc/28/90/01/499289001.db2.gz QZSURHYWBFMROE-QUCCMNQESA-N 1 3 374.525 3.007 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241528 499301375 /nfs/dbraw/zinc/30/13/75/499301375.db2.gz CRXKSABLTPNTSY-SBHAEUEKSA-N 1 3 373.516 3.028 20 0 FGADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000371291208 499306426 /nfs/dbraw/zinc/30/64/26/499306426.db2.gz YAFBUEASKSTSDV-UHFFFAOYSA-N 1 3 363.505 3.337 20 0 FGADHO C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000371338032 499312585 /nfs/dbraw/zinc/31/25/85/499312585.db2.gz YAGGZVRWCFPFFX-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000371338032 499312586 /nfs/dbraw/zinc/31/25/86/499312586.db2.gz YAGGZVRWCFPFFX-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO Cc1ccccc1COC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000369184648 499375519 /nfs/dbraw/zinc/37/55/19/499375519.db2.gz RHJDQMYNANWIQQ-UHFFFAOYSA-N 1 3 373.585 3.392 20 0 FGADHO CN1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927506 499380648 /nfs/dbraw/zinc/38/06/48/499380648.db2.gz PYISKMXZWJQZAQ-IRLDBZIGSA-N 1 3 350.510 3.464 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000369766951 499441862 /nfs/dbraw/zinc/44/18/62/499441862.db2.gz PACVCTHEXWMSEQ-UNMCSNQZSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@@H]1N(CCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237598 499498017 /nfs/dbraw/zinc/49/80/17/499498017.db2.gz AITNWEVMZYKHFR-OALUTQOASA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@H]1N(CCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237598 499498019 /nfs/dbraw/zinc/49/80/19/499498019.db2.gz AITNWEVMZYKHFR-OALUTQOASA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1N(CCC[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375237599 499498079 /nfs/dbraw/zinc/49/80/79/499498079.db2.gz AITNWEVMZYKHFR-RTBURBONSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@H]1N(CCC[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375237599 499498080 /nfs/dbraw/zinc/49/80/80/499498080.db2.gz AITNWEVMZYKHFR-RTBURBONSA-N 1 3 350.547 3.159 20 0 FGADHO CN(Cc1csc(-c2ccoc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378301223 499499643 /nfs/dbraw/zinc/49/96/43/499499643.db2.gz HSRUBJHSYVPSIH-GOSISDBHSA-N 1 3 360.527 3.003 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231146 506149197 /nfs/dbraw/zinc/14/91/97/506149197.db2.gz UOOWDJOSPRSPMO-ICSRJNTNSA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231146 506149199 /nfs/dbraw/zinc/14/91/99/506149199.db2.gz UOOWDJOSPRSPMO-ICSRJNTNSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@](O)(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211032 499548792 /nfs/dbraw/zinc/54/87/92/499548792.db2.gz MVUFLVDQAMEBDI-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(I)cc1)C2 ZINC000394162700 499561545 /nfs/dbraw/zinc/56/15/45/499561545.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 1 3 370.278 3.348 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(I)cc1)C2 ZINC000394162700 499561546 /nfs/dbraw/zinc/56/15/46/499561546.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 1 3 370.278 3.348 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982970 499651662 /nfs/dbraw/zinc/65/16/62/499651662.db2.gz PASYKSUCXXBHIY-YLJYHZDGSA-N 1 3 357.546 3.078 20 0 FGADHO COc1ccc2cc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246763 499673674 /nfs/dbraw/zinc/67/36/74/499673674.db2.gz WIYXZDRHLZFZMI-MBSDFSHPSA-N 1 3 367.537 3.306 20 0 FGADHO COCCC1(C[N@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000377617230 499711040 /nfs/dbraw/zinc/71/10/40/499711040.db2.gz AGZRHYNPVCSNOF-HXUWFJFHSA-N 1 3 351.579 3.074 20 0 FGADHO COCCC1(C[N@@H+](C)[C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000377617230 499711041 /nfs/dbraw/zinc/71/10/41/499711041.db2.gz AGZRHYNPVCSNOF-HXUWFJFHSA-N 1 3 351.579 3.074 20 0 FGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626791 499712815 /nfs/dbraw/zinc/71/28/15/499712815.db2.gz MQMZPQNQPHKNEA-HSZRJFAPSA-N 1 3 364.537 3.349 20 0 FGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626791 499712816 /nfs/dbraw/zinc/71/28/16/499712816.db2.gz MQMZPQNQPHKNEA-HSZRJFAPSA-N 1 3 364.537 3.349 20 0 FGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000411320634 499725841 /nfs/dbraw/zinc/72/58/41/499725841.db2.gz BMKIBGSCUPIFKB-QFIPXVFZSA-N 1 3 358.526 3.442 20 0 FGADHO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410105 499736322 /nfs/dbraw/zinc/73/63/22/499736322.db2.gz CIMHSECIHBRJES-NHCUHLMSSA-N 1 3 355.526 3.163 20 0 FGADHO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410105 499736325 /nfs/dbraw/zinc/73/63/25/499736325.db2.gz CIMHSECIHBRJES-NHCUHLMSSA-N 1 3 355.526 3.163 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411443540 499740959 /nfs/dbraw/zinc/74/09/59/499740959.db2.gz YJSCEQRAXPZLBE-QGZVFWFLSA-N 1 3 357.542 3.205 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000573266836 506158010 /nfs/dbraw/zinc/15/80/10/506158010.db2.gz QIRVABPCEZVUSS-MDPIYQRISA-N 1 3 370.468 3.436 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747356 /nfs/dbraw/zinc/74/73/56/499747356.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 1 3 357.542 3.401 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747357 /nfs/dbraw/zinc/74/73/57/499747357.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 1 3 357.542 3.401 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411527366 499751368 /nfs/dbraw/zinc/75/13/68/499751368.db2.gz FVXUHXGVZVVYKM-MOXWOTFGSA-N 1 3 357.542 3.134 20 0 FGADHO CN(Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000414266840 499773152 /nfs/dbraw/zinc/77/31/52/499773152.db2.gz SHHIIAQRPWEEQL-UHFFFAOYSA-N 1 3 366.571 3.233 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000414292035 499774717 /nfs/dbraw/zinc/77/47/17/499774717.db2.gz ADYHZNQKJSTSBO-IBGZPJMESA-N 1 3 367.537 3.430 20 0 FGADHO COc1ccsc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414314302 499776838 /nfs/dbraw/zinc/77/68/38/499776838.db2.gz ZQJAPHIQVIRPPM-MRXNPFEDSA-N 1 3 360.523 3.434 20 0 FGADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326386 499778056 /nfs/dbraw/zinc/77/80/56/499778056.db2.gz NPNRZHTXXREJJT-UWJYYQICSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000414344969 499779508 /nfs/dbraw/zinc/77/95/08/499779508.db2.gz SCFKKKRAVOXDJI-LLGFUMIMSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679877 499819860 /nfs/dbraw/zinc/81/98/60/499819860.db2.gz SHCUFWYZGSRQDW-FXAWDEMLSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679877 499819863 /nfs/dbraw/zinc/81/98/63/499819863.db2.gz SHCUFWYZGSRQDW-FXAWDEMLSA-N 1 3 357.542 3.318 20 0 FGADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695505 499821054 /nfs/dbraw/zinc/82/10/54/499821054.db2.gz OXSFXUFVCQRLLH-SFTDATJTSA-N 1 3 359.558 3.307 20 0 FGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695505 499821055 /nfs/dbraw/zinc/82/10/55/499821055.db2.gz OXSFXUFVCQRLLH-SFTDATJTSA-N 1 3 359.558 3.307 20 0 FGADHO COCCN(Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756220 499827036 /nfs/dbraw/zinc/82/70/36/499827036.db2.gz JDAPCLQYZXHBBY-STQMWFEESA-N 1 3 361.349 3.347 20 0 FGADHO COc1c(Br)cccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778557 499830199 /nfs/dbraw/zinc/83/01/99/499830199.db2.gz JBPFWDCOULUABX-UONOGXRCSA-N 1 3 353.304 3.279 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851389 499837879 /nfs/dbraw/zinc/83/78/79/499837879.db2.gz JCOPKYIZMPVHKG-PMPSAXMXSA-N 1 3 351.922 3.055 20 0 FGADHO CN(c1ccccc1CNCC1([NH3+])CCCCCC1)C1CCN(C)CC1 ZINC000414859758 499839002 /nfs/dbraw/zinc/83/90/02/499839002.db2.gz NOXDACCQBPSNEH-UHFFFAOYSA-N 1 3 358.574 3.358 20 0 FGADHO C[C@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCNC1 ZINC000414904395 499843367 /nfs/dbraw/zinc/84/33/67/499843367.db2.gz JXXGZSOGABEOLE-IBGZPJMESA-N 1 3 353.913 3.423 20 0 FGADHO COCC1(CNCc2ccc(-c3ccccc3)cc2OC)CC[NH2+]CC1 ZINC000414968872 499849778 /nfs/dbraw/zinc/84/97/78/499849778.db2.gz FUTDPPZAZAWGSS-UHFFFAOYSA-N 1 3 354.494 3.468 20 0 FGADHO COc1ccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075309 499860866 /nfs/dbraw/zinc/86/08/66/499860866.db2.gz BGOPMCMJKNYDIA-WBVHZDCISA-N 1 3 350.503 3.155 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415087119 499862265 /nfs/dbraw/zinc/86/22/65/499862265.db2.gz UAEHVWZFZIOVFL-DXIQSLLYSA-N 1 3 359.558 3.308 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124690 499866944 /nfs/dbraw/zinc/86/69/44/499866944.db2.gz NAQUIXNLIAWIRH-UWJYYQICSA-N 1 3 361.505 3.144 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127277 499867502 /nfs/dbraw/zinc/86/75/02/499867502.db2.gz QTGXHFANUCJVCG-WBVHZDCISA-N 1 3 358.404 3.304 20 0 FGADHO CC(C)C[C@H](N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000415132072 499868246 /nfs/dbraw/zinc/86/82/46/499868246.db2.gz AATPPAXABGGTRC-KRWDZBQOSA-N 1 3 368.363 3.377 20 0 FGADHO CC(C)C[C@H]([NH3+])CNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000415132072 499868248 /nfs/dbraw/zinc/86/82/48/499868248.db2.gz AATPPAXABGGTRC-KRWDZBQOSA-N 1 3 368.363 3.377 20 0 FGADHO CC(C)(C)[NH2+]CCNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000415136439 499869322 /nfs/dbraw/zinc/86/93/22/499869322.db2.gz HLBLTDNKOQOHLE-UHFFFAOYSA-N 1 3 368.363 3.391 20 0 FGADHO CC(C)(C)NCC[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000415136439 499869323 /nfs/dbraw/zinc/86/93/23/499869323.db2.gz HLBLTDNKOQOHLE-UHFFFAOYSA-N 1 3 368.363 3.391 20 0 FGADHO CCc1cccc(F)c1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415139534 499869623 /nfs/dbraw/zinc/86/96/23/499869623.db2.gz XJEVNZKQVSRCRW-UHFFFAOYSA-N 1 3 355.501 3.471 20 0 FGADHO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415306765 499885067 /nfs/dbraw/zinc/88/50/67/499885067.db2.gz IHLDCMOEOXGATO-UHFFFAOYSA-N 1 3 362.518 3.190 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415880227 499923812 /nfs/dbraw/zinc/92/38/12/499923812.db2.gz FEDBQUHUQXWUPF-GOSISDBHSA-N 1 3 370.541 3.452 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000415903841 499926393 /nfs/dbraw/zinc/92/63/93/499926393.db2.gz QZAAETQKTFFCKK-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000415911156 499927459 /nfs/dbraw/zinc/92/74/59/499927459.db2.gz XHZWZJARYCUMKQ-KRWDZBQOSA-N 1 3 354.498 3.438 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000415931046 499929873 /nfs/dbraw/zinc/92/98/73/499929873.db2.gz LFPPUUXMLSATFY-UZLBHIALSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000415933286 499930196 /nfs/dbraw/zinc/93/01/96/499930196.db2.gz PKLKUXPNACMQEE-PMACEKPBSA-N 1 3 352.482 3.363 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963565 499934315 /nfs/dbraw/zinc/93/43/15/499934315.db2.gz VFYITHPVNCCTQV-HXUWFJFHSA-N 1 3 352.482 3.177 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000415964662 499934420 /nfs/dbraw/zinc/93/44/20/499934420.db2.gz XWTPNVZKGGHATQ-UHFFFAOYSA-N 1 3 362.493 3.105 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967336 499934994 /nfs/dbraw/zinc/93/49/94/499934994.db2.gz HRIXXRQMULVUIT-LBPRGKRZSA-N 1 3 360.424 3.406 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967336 499934996 /nfs/dbraw/zinc/93/49/96/499934996.db2.gz HRIXXRQMULVUIT-LBPRGKRZSA-N 1 3 360.424 3.406 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974185 499935912 /nfs/dbraw/zinc/93/59/12/499935912.db2.gz QERVMCLSMOGZHF-JXFKEZNVSA-N 1 3 352.482 3.363 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000415973517 499935983 /nfs/dbraw/zinc/93/59/83/499935983.db2.gz QQADVAYROVXOHN-CYBMUJFWSA-N 1 3 372.435 3.408 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000415983386 499937080 /nfs/dbraw/zinc/93/70/80/499937080.db2.gz ZKRBLYQBSCDCJF-MRXNPFEDSA-N 1 3 358.511 3.241 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000415984557 499937456 /nfs/dbraw/zinc/93/74/56/499937456.db2.gz PVXWZTDYEZAWLF-GOSISDBHSA-N 1 3 366.509 3.392 20 0 FGADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146355 499957679 /nfs/dbraw/zinc/95/76/79/499957679.db2.gz UIXQIIXIEMRTHB-KNKQGSTJSA-N 1 3 369.553 3.299 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292338 500030454 /nfs/dbraw/zinc/03/04/54/500030454.db2.gz CHZUNQOEDUIRRM-BBRMVZONSA-N 1 3 374.451 3.125 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000421380433 500032239 /nfs/dbraw/zinc/03/22/39/500032239.db2.gz VTQVWOGQDJFPSW-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000421380433 500032243 /nfs/dbraw/zinc/03/22/43/500032243.db2.gz VTQVWOGQDJFPSW-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000421380433 500032248 /nfs/dbraw/zinc/03/22/48/500032248.db2.gz VTQVWOGQDJFPSW-UHFFFAOYSA-N 1 3 367.541 3.069 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421393565 500036225 /nfs/dbraw/zinc/03/62/25/500036225.db2.gz YLJOQGWLTUGJOR-IBGZPJMESA-N 1 3 359.583 3.451 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000416791201 500121507 /nfs/dbraw/zinc/12/15/07/500121507.db2.gz WAALPXYIBXOSIA-UTKZUKDTSA-N 1 3 366.509 3.343 20 0 FGADHO O=C(NCC[NH2+]C1CCCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000416795635 500122461 /nfs/dbraw/zinc/12/24/61/500122461.db2.gz UJCKWBWXFPBYME-UHFFFAOYSA-N 1 3 372.557 3.263 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417677192 500147068 /nfs/dbraw/zinc/14/70/68/500147068.db2.gz FPDQPRSPUJBXMJ-SQGPQFPESA-N 1 3 358.530 3.123 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094191 500152259 /nfs/dbraw/zinc/15/22/59/500152259.db2.gz GIMJCMJJLMTCAF-CEXWTWQISA-N 1 3 370.541 3.280 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094191 500152260 /nfs/dbraw/zinc/15/22/60/500152260.db2.gz GIMJCMJJLMTCAF-CEXWTWQISA-N 1 3 370.541 3.280 20 0 FGADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416952535 500164917 /nfs/dbraw/zinc/16/49/17/500164917.db2.gz GWCJRFHZVPAURB-KRWDZBQOSA-N 1 3 368.525 3.070 20 0 FGADHO COC1([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000421862999 500165586 /nfs/dbraw/zinc/16/55/86/500165586.db2.gz WXQFOLQFALQPCT-IBGZPJMESA-N 1 3 360.542 3.341 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826281 500180116 /nfs/dbraw/zinc/18/01/16/500180116.db2.gz BZMFAKQSQGUABI-QMMLZNLJSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826281 500180119 /nfs/dbraw/zinc/18/01/19/500180119.db2.gz BZMFAKQSQGUABI-QMMLZNLJSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000417852486 500184535 /nfs/dbraw/zinc/18/45/35/500184535.db2.gz ZKTRXQMRZQHTIC-ANTGDGSKSA-N 1 3 372.557 3.104 20 0 FGADHO CC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000579470412 506182918 /nfs/dbraw/zinc/18/29/18/506182918.db2.gz FBEDLOQQQLMCMJ-UHFFFAOYSA-N 1 3 369.553 3.279 20 0 FGADHO CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422244084 500240635 /nfs/dbraw/zinc/24/06/35/500240635.db2.gz JLWXSKWVHLXOHN-XVAXZDLZSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000418171355 500242009 /nfs/dbraw/zinc/24/20/09/500242009.db2.gz UPYFGCIDNWVJPK-DAYGRLMNSA-N 1 3 358.486 3.228 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177567 500243597 /nfs/dbraw/zinc/24/35/97/500243597.db2.gz HUXIRGXIDDBEIC-RVKKMQEKSA-N 1 3 366.937 3.102 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188962 500245898 /nfs/dbraw/zinc/24/58/98/500245898.db2.gz VBUWOQJKUCQJAX-FHLIZLRMSA-N 1 3 366.937 3.163 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189212 500245962 /nfs/dbraw/zinc/24/59/62/500245962.db2.gz VDCFMKGYQRZPCK-DAWZGUTISA-N 1 3 366.937 3.292 20 0 FGADHO NC[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000418218152 500251059 /nfs/dbraw/zinc/25/10/59/500251059.db2.gz OIOQUXGJCANAGC-NRFANRHFSA-N 1 3 368.525 3.405 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)N(CC)CC)cc1 ZINC000418223747 500251789 /nfs/dbraw/zinc/25/17/89/500251789.db2.gz YZLLRCORUTZWBW-UXPWSPDFSA-N 1 3 360.546 3.011 20 0 FGADHO NC[C@H](NC(=O)NCC1([NH3+])CCCCCC1)c1ccc2ccccc2c1 ZINC000418290096 500259524 /nfs/dbraw/zinc/25/95/24/500259524.db2.gz ZMEQRJUYPSRSET-IBGZPJMESA-N 1 3 354.498 3.191 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715117 500273963 /nfs/dbraw/zinc/27/39/63/500273963.db2.gz OBBFILQBORUPCF-GOSISDBHSA-N 1 3 365.587 3.254 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715117 500273966 /nfs/dbraw/zinc/27/39/66/500273966.db2.gz OBBFILQBORUPCF-GOSISDBHSA-N 1 3 365.587 3.254 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418435742 500276544 /nfs/dbraw/zinc/27/65/44/500276544.db2.gz IBGJRGMQWHFIPJ-PKOBYXMFSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000418470364 500280534 /nfs/dbraw/zinc/28/05/34/500280534.db2.gz UWSJETMXWHFBIT-INIZCTEOSA-N 1 3 372.488 3.119 20 0 FGADHO C[C@H](C[NH3+])NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418516060 500286533 /nfs/dbraw/zinc/28/65/33/500286533.db2.gz RIOPXHZJHKZDIM-NQIIRXRSSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](C[NH3+])NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418516063 500286634 /nfs/dbraw/zinc/28/66/34/500286634.db2.gz RIOPXHZJHKZDIM-WIYYLYMNSA-N 1 3 372.557 3.200 20 0 FGADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418526426 500287880 /nfs/dbraw/zinc/28/78/80/500287880.db2.gz ZTAODMXVQWDQBF-QUCCMNQESA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCN1 ZINC000422710568 500287991 /nfs/dbraw/zinc/28/79/91/500287991.db2.gz LLXHNFONICJZLE-FRFSOERESA-N 1 3 352.320 3.148 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705236 500288050 /nfs/dbraw/zinc/28/80/50/500288050.db2.gz RCTAZOBFUDAVIH-FGTMMUONSA-N 1 3 362.514 3.155 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)N)CC2)oc1C ZINC000422712362 500288777 /nfs/dbraw/zinc/28/87/77/500288777.db2.gz OBFVKXPGPZBMNV-KKSFZXQISA-N 1 3 370.541 3.052 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NCCSCCOc1cccc(Br)c1 ZINC000422716901 500289427 /nfs/dbraw/zinc/28/94/27/500289427.db2.gz UVHUDQOFQRGXSI-OLZOCXBDSA-N 1 3 361.349 3.277 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719925 500289851 /nfs/dbraw/zinc/28/98/51/500289851.db2.gz RQDAAQSGHGNCLW-FNAHDJPLSA-N 1 3 359.558 3.206 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737322 500292499 /nfs/dbraw/zinc/29/24/99/500292499.db2.gz XHSDADFALMGBJD-UYAOXDASSA-N 1 3 367.497 3.010 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCCC1 ZINC000422749488 500293919 /nfs/dbraw/zinc/29/39/19/500293919.db2.gz ZKKWPSCLECKRGN-NYVOZVTQSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCCC1 ZINC000422749488 500293922 /nfs/dbraw/zinc/29/39/22/500293922.db2.gz ZKKWPSCLECKRGN-NYVOZVTQSA-N 1 3 367.537 3.380 20 0 FGADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746965 500294109 /nfs/dbraw/zinc/29/41/09/500294109.db2.gz XSPXGTPYSXPREL-XPWALMASSA-N 1 3 371.569 3.044 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775793 500296711 /nfs/dbraw/zinc/29/67/11/500296711.db2.gz CIISKZDZXRWRBD-SNVBAGLBSA-N 1 3 354.285 3.313 20 0 FGADHO Fc1ccc(OCCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780812 500296812 /nfs/dbraw/zinc/29/68/12/500296812.db2.gz KQMREXHXZKUWBH-TZIWHRDSSA-N 1 3 356.441 3.440 20 0 FGADHO Cc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797973 500299175 /nfs/dbraw/zinc/29/91/75/500299175.db2.gz PGQKTYCZTCCCSD-OXQOHEQNSA-N 1 3 360.523 3.205 20 0 FGADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCc2ccccc2C1 ZINC000422807525 500300400 /nfs/dbraw/zinc/30/04/00/500300400.db2.gz MNOXLYJDFRDMIX-HRAATJIYSA-N 1 3 352.526 3.336 20 0 FGADHO CC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N1CCc2ccccc2C1 ZINC000422813414 500300910 /nfs/dbraw/zinc/30/09/10/500300910.db2.gz YCQCLGHTELJRDY-SXSPYAJSSA-N 1 3 351.538 3.371 20 0 FGADHO CC[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422813414 500300914 /nfs/dbraw/zinc/30/09/14/500300914.db2.gz YCQCLGHTELJRDY-SXSPYAJSSA-N 1 3 351.538 3.371 20 0 FGADHO COc1ccc([C@H](NCc2cccc(CN(C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422810073 500301151 /nfs/dbraw/zinc/30/11/51/500301151.db2.gz RBUOIMHLMLDVRP-VXKWHMMOSA-N 1 3 353.510 3.340 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422844401 500304994 /nfs/dbraw/zinc/30/49/94/500304994.db2.gz LRNRAIHHESELQD-PMACEKPBSA-N 1 3 366.553 3.224 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422850813 500305526 /nfs/dbraw/zinc/30/55/26/500305526.db2.gz ODKAYPFCEKSDDG-NVXWUHKLSA-N 1 3 354.498 3.034 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860846 500306547 /nfs/dbraw/zinc/30/65/47/500306547.db2.gz LXJLWEALCLCDLO-UZLBHIALSA-N 1 3 355.482 3.343 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885426 500310947 /nfs/dbraw/zinc/31/09/47/500310947.db2.gz YPAPWUFRCIROPE-WMLDXEAASA-N 1 3 367.331 3.214 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H](C)[C@@H]3CCCCN3)CC2)cs1 ZINC000422915122 500316421 /nfs/dbraw/zinc/31/64/21/500316421.db2.gz XERJXBJOAIBIQV-QAPCUYQASA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(CN[C@H](C)[C@@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422915122 500316423 /nfs/dbraw/zinc/31/64/23/500316423.db2.gz XERJXBJOAIBIQV-QAPCUYQASA-N 1 3 350.576 3.038 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947425 500321564 /nfs/dbraw/zinc/32/15/64/500321564.db2.gz PZUVNBVDPJFRNI-JTPPEQCGSA-N 1 3 371.569 3.306 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418788880 500323567 /nfs/dbraw/zinc/32/35/67/500323567.db2.gz LMSPVGSJNMROJC-PWRODBHTSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431024693 500325651 /nfs/dbraw/zinc/32/56/51/500325651.db2.gz MEUQUDHYEHRANV-QGZVFWFLSA-N 1 3 351.494 3.093 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014482 500331147 /nfs/dbraw/zinc/33/11/47/500331147.db2.gz PFCVYYRGJZSZML-ZWNOBZJWSA-N 1 3 351.800 3.240 20 0 FGADHO CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)c1ccc(OC)c(OC)c1 ZINC000423044367 500334566 /nfs/dbraw/zinc/33/45/66/500334566.db2.gz BDKQDMKAYBYVBZ-CGTJXYLNSA-N 1 3 364.530 3.104 20 0 FGADHO CCN(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069927 500337946 /nfs/dbraw/zinc/33/79/46/500337946.db2.gz FKZWFSBDHYRBTQ-FUHWJXTLSA-N 1 3 371.447 3.106 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071582 500338575 /nfs/dbraw/zinc/33/85/75/500338575.db2.gz FQBSSZWCBWMPMZ-RXYZOABWSA-N 1 3 371.500 3.412 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079701 500340166 /nfs/dbraw/zinc/34/01/66/500340166.db2.gz YQQRDVNUNIJEOH-OSGQAZFXSA-N 1 3 370.459 3.155 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088081 500340622 /nfs/dbraw/zinc/34/06/22/500340622.db2.gz PKDVDBBGMZRMLA-KMFMINBZSA-N 1 3 352.320 3.006 20 0 FGADHO Cc1cc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)ccc1I ZINC000423101211 500342473 /nfs/dbraw/zinc/34/24/73/500342473.db2.gz VOPVBRAELJHASJ-XHDPSFHLSA-N 1 3 358.267 3.077 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141106 500347793 /nfs/dbraw/zinc/34/77/93/500347793.db2.gz NYAJESLEPBWNRR-VCQFHVMDSA-N 1 3 353.304 3.037 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141106 500347795 /nfs/dbraw/zinc/34/77/95/500347795.db2.gz NYAJESLEPBWNRR-VCQFHVMDSA-N 1 3 353.304 3.037 20 0 FGADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292337 500361801 /nfs/dbraw/zinc/36/18/01/500361801.db2.gz MPLSISIUIJNRHM-FDDCHVKYSA-N 1 3 367.537 3.432 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197398 500365728 /nfs/dbraw/zinc/36/57/28/500365728.db2.gz CPNOXWGZCBBILI-UYAOXDASSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000423384783 500369073 /nfs/dbraw/zinc/36/90/73/500369073.db2.gz QMMUFUYQXUJFBM-KRWDZBQOSA-N 1 3 351.494 3.443 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479814 500377985 /nfs/dbraw/zinc/37/79/85/500377985.db2.gz VCUCWTLXXYQMAI-QXAKKESOSA-N 1 3 362.489 3.230 20 0 FGADHO CC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479814 500377988 /nfs/dbraw/zinc/37/79/88/500377988.db2.gz VCUCWTLXXYQMAI-QXAKKESOSA-N 1 3 362.489 3.230 20 0 FGADHO Cc1nc(C)c([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000423543970 500383887 /nfs/dbraw/zinc/38/38/87/500383887.db2.gz CAACOUHJPQWUGC-OAHLLOKOSA-N 1 3 358.555 3.404 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000423738189 500398152 /nfs/dbraw/zinc/39/81/52/500398152.db2.gz FURQESHPBUUWDT-LAUBAEHRSA-N 1 3 353.510 3.433 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000423749324 500398742 /nfs/dbraw/zinc/39/87/42/500398742.db2.gz RNEQJPGKTXHNMU-LJQANCHMSA-N 1 3 365.521 3.487 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1 ZINC000423754859 500399685 /nfs/dbraw/zinc/39/96/85/500399685.db2.gz ZFQGDDCGXOICMY-SFHVURJKSA-N 1 3 353.510 3.343 20 0 FGADHO C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000423792642 500402135 /nfs/dbraw/zinc/40/21/35/500402135.db2.gz ICHNAGKKWQPYNV-NQIIRXRSSA-N 1 3 357.542 3.437 20 0 FGADHO NC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000423841841 500410304 /nfs/dbraw/zinc/41/03/04/500410304.db2.gz GFRBSPCJPFWXSW-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO NC1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000423841841 500410305 /nfs/dbraw/zinc/41/03/05/500410305.db2.gz GFRBSPCJPFWXSW-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423855237 500412589 /nfs/dbraw/zinc/41/25/89/500412589.db2.gz VNBZODCLEHIRLY-JKSUJKDBSA-N 1 3 352.482 3.057 20 0 FGADHO CC1CCC(O)(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000427675930 500419844 /nfs/dbraw/zinc/41/98/44/500419844.db2.gz BRBDEIJPHCCWMF-XTBIFASLSA-N 1 3 352.563 3.139 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431796902 500426118 /nfs/dbraw/zinc/42/61/18/500426118.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431796902 500426119 /nfs/dbraw/zinc/42/61/19/500426119.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 1 3 357.542 3.374 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420340730 500445077 /nfs/dbraw/zinc/44/50/77/500445077.db2.gz UFBJATIPADRFQC-SJORKVTESA-N 1 3 359.297 3.200 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000420364569 500448555 /nfs/dbraw/zinc/44/85/55/500448555.db2.gz DABZXPWRWGLYDA-HXUWFJFHSA-N 1 3 365.521 3.265 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000420365038 500448563 /nfs/dbraw/zinc/44/85/63/500448563.db2.gz DLIRVQJHIFQDJS-VXNXHJTFSA-N 1 3 360.501 3.491 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382568 500451583 /nfs/dbraw/zinc/45/15/83/500451583.db2.gz DQZZGOHJRBBCMQ-KSSFIOAISA-N 1 3 356.869 3.076 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389027 500453116 /nfs/dbraw/zinc/45/31/16/500453116.db2.gz XSYVFOZQEDZKKH-ROUUACIJSA-N 1 3 372.431 3.303 20 0 FGADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406922 500456583 /nfs/dbraw/zinc/45/65/83/500456583.db2.gz UUOBUYUUUYFADX-PBHICJAKSA-N 1 3 369.431 3.498 20 0 FGADHO C[C@@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416285 500457252 /nfs/dbraw/zinc/45/72/52/500457252.db2.gz VRSMNUFMFPKUJJ-BLIXFSHQSA-N 1 3 371.550 3.261 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412092 500457506 /nfs/dbraw/zinc/45/75/06/500457506.db2.gz SBTHXRJAZKSNKB-AVRDEDQJSA-N 1 3 368.477 3.250 20 0 FGADHO COc1ccc([C@@H](CN)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412092 500457507 /nfs/dbraw/zinc/45/75/07/500457507.db2.gz SBTHXRJAZKSNKB-AVRDEDQJSA-N 1 3 368.477 3.250 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295056 500482547 /nfs/dbraw/zinc/48/25/47/500482547.db2.gz QOOGEMULUASODL-GOSISDBHSA-N 1 3 371.569 3.107 20 0 FGADHO C[C@@H]1C[C@H](NCCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612821 506199072 /nfs/dbraw/zinc/19/90/72/506199072.db2.gz OZWMWIIFVDYIDS-IEBWSBKVSA-N 1 3 368.477 3.437 20 0 FGADHO C[C@@H]1C[C@H](NCCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612821 506199075 /nfs/dbraw/zinc/19/90/75/506199075.db2.gz OZWMWIIFVDYIDS-IEBWSBKVSA-N 1 3 368.477 3.437 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000424443272 500506498 /nfs/dbraw/zinc/50/64/98/500506498.db2.gz JYWGPSBSSAZFEO-QFBILLFUSA-N 1 3 352.482 3.411 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CCN(C)CC1 ZINC000576631494 506202620 /nfs/dbraw/zinc/20/26/20/506202620.db2.gz OFSWESOYJSSXRJ-PKOBYXMFSA-N 1 3 363.505 3.395 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421028207 500559077 /nfs/dbraw/zinc/55/90/77/500559077.db2.gz WHEVKJGBBZHJBU-HXUWFJFHSA-N 1 3 357.542 3.244 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566441 /nfs/dbraw/zinc/56/64/41/500566441.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566442 /nfs/dbraw/zinc/56/64/42/500566442.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880879 500638966 /nfs/dbraw/zinc/63/89/66/500638966.db2.gz ZMGCOPZJDBESOC-AWEZNQCLSA-N 1 3 359.436 3.262 20 0 FGADHO CC1CCN(C(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433212336 500648559 /nfs/dbraw/zinc/64/85/59/500648559.db2.gz HQNBKDXUQLKOGK-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433298784 500665157 /nfs/dbraw/zinc/66/51/57/500665157.db2.gz ALLFHHBDGPNADM-OAQYLSRUSA-N 1 3 371.500 3.409 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068406 500673414 /nfs/dbraw/zinc/67/34/14/500673414.db2.gz HZSPCHFRDNIGIG-IBGZPJMESA-N 1 3 357.542 3.066 20 0 FGADHO C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CCN1Cc1ccccc1 ZINC000433367779 500681873 /nfs/dbraw/zinc/68/18/73/500681873.db2.gz RVZTWROLJBDRDG-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000573562697 506212497 /nfs/dbraw/zinc/21/24/97/506212497.db2.gz CWRWWWZNSUCXIV-LJQANCHMSA-N 1 3 365.477 3.487 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000448211734 500733449 /nfs/dbraw/zinc/73/34/49/500733449.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000448211734 500733453 /nfs/dbraw/zinc/73/34/53/500733453.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 1 3 374.573 3.174 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746106 /nfs/dbraw/zinc/74/61/06/500746106.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746109 /nfs/dbraw/zinc/74/61/09/500746109.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 1 3 358.448 3.415 20 0 FGADHO CCCN(CCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000433856598 500756164 /nfs/dbraw/zinc/75/61/64/500756164.db2.gz XYQODQQSDQBHKD-UHFFFAOYSA-N 1 3 368.319 3.242 20 0 FGADHO CC[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)N(CC)CC ZINC000434148997 500803122 /nfs/dbraw/zinc/80/31/22/500803122.db2.gz XCXVPJNSLSGCAS-FQEVSTJZSA-N 1 3 361.530 3.244 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146780 500863713 /nfs/dbraw/zinc/86/37/13/500863713.db2.gz OEQGYGBDPXGKAK-JXFKEZNVSA-N 1 3 359.562 3.320 20 0 FGADHO Cc1cc(N2CCC(NC3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146780 500863717 /nfs/dbraw/zinc/86/37/17/500863717.db2.gz OEQGYGBDPXGKAK-JXFKEZNVSA-N 1 3 359.562 3.320 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000439177356 500866723 /nfs/dbraw/zinc/86/67/23/500866723.db2.gz LEYIMLYOUWIEEI-SJORKVTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCCC[C@H]1C ZINC000439177356 500866725 /nfs/dbraw/zinc/86/67/25/500866725.db2.gz LEYIMLYOUWIEEI-SJORKVTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H](Cc1ccoc1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449086243 500921767 /nfs/dbraw/zinc/92/17/67/500921767.db2.gz BKUDEVAQGOFXRE-FQEVSTJZSA-N 1 3 355.526 3.398 20 0 FGADHO CCOC(=O)c1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000449242022 500955863 /nfs/dbraw/zinc/95/58/63/500955863.db2.gz VVKPCWSTYORZJL-UHFFFAOYSA-N 1 3 370.497 3.243 20 0 FGADHO CCO[C@@H]1C[C@](CO)(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267438 500961935 /nfs/dbraw/zinc/96/19/35/500961935.db2.gz ZJWXLXMSOUITJF-JMUQELJHSA-N 1 3 374.569 3.238 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383761 500964670 /nfs/dbraw/zinc/96/46/70/500964670.db2.gz JSWMQVSZIAQCTE-DZGCQCFKSA-N 1 3 352.404 3.450 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387664 500965654 /nfs/dbraw/zinc/96/56/54/500965654.db2.gz AYEUMGCDEYNJDG-IOMROCGXSA-N 1 3 359.477 3.103 20 0 FGADHO C[NH2+]CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435393574 500967454 /nfs/dbraw/zinc/96/74/54/500967454.db2.gz HJLOVDKTFQSGOH-UHFFFAOYSA-N 1 3 366.431 3.382 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1cccc(F)c1 ZINC000449358703 500986085 /nfs/dbraw/zinc/98/60/85/500986085.db2.gz FZFMBHLJEGMANJ-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1cccc(F)c1 ZINC000449358703 500986087 /nfs/dbraw/zinc/98/60/87/500986087.db2.gz FZFMBHLJEGMANJ-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1cccc(F)c1 ZINC000449358703 500986088 /nfs/dbraw/zinc/98/60/88/500986088.db2.gz FZFMBHLJEGMANJ-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(CCCO)C2)CC1 ZINC000449398577 500993989 /nfs/dbraw/zinc/99/39/89/500993989.db2.gz VQGGKWHBGMQKBL-IBGZPJMESA-N 1 3 353.595 3.102 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000449490706 501015517 /nfs/dbraw/zinc/01/55/17/501015517.db2.gz CLNQONQMLLPIJL-SIKLNZKXSA-N 1 3 359.558 3.369 20 0 FGADHO CCO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1C ZINC000449490816 501015567 /nfs/dbraw/zinc/01/55/67/501015567.db2.gz CZZSNDOMZJJWHR-AVRDEDQJSA-N 1 3 359.558 3.464 20 0 FGADHO CCO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1C ZINC000449490816 501015568 /nfs/dbraw/zinc/01/55/68/501015568.db2.gz CZZSNDOMZJJWHR-AVRDEDQJSA-N 1 3 359.558 3.464 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592578 501039887 /nfs/dbraw/zinc/03/98/87/501039887.db2.gz ODHNAWRGWYUXGR-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592578 501039890 /nfs/dbraw/zinc/03/98/90/501039890.db2.gz ODHNAWRGWYUXGR-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@H](CN1CCC[C@H]([C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200281 501102894 /nfs/dbraw/zinc/10/28/94/501102894.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCC[C@H]([C@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200281 501102896 /nfs/dbraw/zinc/10/28/96/501102896.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441200281 501102899 /nfs/dbraw/zinc/10/28/99/501102899.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441200281 501102903 /nfs/dbraw/zinc/10/29/03/501102903.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 1 3 364.574 3.120 20 0 FGADHO CC(C)[C@@H](COCc1ccccc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446837298 501170901 /nfs/dbraw/zinc/17/09/01/501170901.db2.gz WPIHAZSPAVSYBD-RBBKRZOGSA-N 1 3 360.542 3.318 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@@H]4CCC[C@@H](C)C4)CC3)C2)n(C)n1 ZINC000446840290 501171863 /nfs/dbraw/zinc/17/18/63/501171863.db2.gz YJXIHSANLARZRK-JRGCBEDISA-N 1 3 373.589 3.330 20 0 FGADHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453103818 501269612 /nfs/dbraw/zinc/26/96/12/501269612.db2.gz DMCWSILMJIKXLL-SFHVURJKSA-N 1 3 369.557 3.011 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000457634961 501273035 /nfs/dbraw/zinc/27/30/35/501273035.db2.gz INJLQPXSVUKCQD-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO CN(C)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453126525 501274426 /nfs/dbraw/zinc/27/44/26/501274426.db2.gz SQARMHWETBJXHQ-BHDDXSALSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181002 501286519 /nfs/dbraw/zinc/28/65/19/501286519.db2.gz QXOYHOZOKXDEMK-NSHDSACASA-N 1 3 374.241 3.343 20 0 FGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181002 501286522 /nfs/dbraw/zinc/28/65/22/501286522.db2.gz QXOYHOZOKXDEMK-NSHDSACASA-N 1 3 374.241 3.343 20 0 FGADHO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000453197001 501289136 /nfs/dbraw/zinc/28/91/36/501289136.db2.gz MPKROEZHZMFDEU-XMSQKQJNSA-N 1 3 353.510 3.149 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453251134 501299405 /nfs/dbraw/zinc/29/94/05/501299405.db2.gz LCQQHDNVQNXGQY-QRVBRYPASA-N 1 3 356.539 3.422 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453251134 501299406 /nfs/dbraw/zinc/29/94/06/501299406.db2.gz LCQQHDNVQNXGQY-QRVBRYPASA-N 1 3 356.539 3.422 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329637 /nfs/dbraw/zinc/32/96/37/501329637.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329639 /nfs/dbraw/zinc/32/96/39/501329639.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329643 /nfs/dbraw/zinc/32/96/43/501329643.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329644 /nfs/dbraw/zinc/32/96/44/501329644.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 1 3 360.542 3.400 20 0 FGADHO COc1ccc(CNCCCC[N@H+](C)C2CC2)c(Br)c1O ZINC000453593779 501357039 /nfs/dbraw/zinc/35/70/39/501357039.db2.gz HREHKTPVJKFXOB-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO COc1ccc(CNCCCC[N@@H+](C)C2CC2)c(Br)c1O ZINC000453593779 501357040 /nfs/dbraw/zinc/35/70/40/501357040.db2.gz HREHKTPVJKFXOB-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO C[N@H+](CCCCNCc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000453593146 501356442 /nfs/dbraw/zinc/35/64/42/501356442.db2.gz GHIXFWKQVXLSMW-UHFFFAOYSA-N 1 3 351.922 3.141 20 0 FGADHO C[N@@H+](CCCCNCc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000453593146 501356445 /nfs/dbraw/zinc/35/64/45/501356445.db2.gz GHIXFWKQVXLSMW-UHFFFAOYSA-N 1 3 351.922 3.141 20 0 FGADHO CN1CCC2(CCCN2C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455919638 501415669 /nfs/dbraw/zinc/41/56/69/501415669.db2.gz LJJVRHKRDWJEIA-LJQANCHMSA-N 1 3 356.514 3.328 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458367859 501428392 /nfs/dbraw/zinc/42/83/92/501428392.db2.gz IIVWOEZIWIPPCM-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367859 501428394 /nfs/dbraw/zinc/42/83/94/501428394.db2.gz IIVWOEZIWIPPCM-QZTJIDSGSA-N 1 3 360.546 3.147 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000452161004 501448763 /nfs/dbraw/zinc/44/87/63/501448763.db2.gz FCPUDVQHVWUZBU-ROUUACIJSA-N 1 3 351.560 3.294 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508437 501462356 /nfs/dbraw/zinc/46/23/56/501462356.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508437 501462358 /nfs/dbraw/zinc/46/23/58/501462358.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511110 501462713 /nfs/dbraw/zinc/46/27/13/501462713.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511110 501462715 /nfs/dbraw/zinc/46/27/15/501462715.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665705 501502617 /nfs/dbraw/zinc/50/26/17/501502617.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665705 501502622 /nfs/dbraw/zinc/50/26/22/501502622.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 1 3 372.557 3.021 20 0 FGADHO CCN(Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1)C1CC1 ZINC000456682646 501576038 /nfs/dbraw/zinc/57/60/38/501576038.db2.gz KRKTVYTZHNAZLV-UHFFFAOYSA-N 1 3 355.526 3.418 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459391994 501645331 /nfs/dbraw/zinc/64/53/31/501645331.db2.gz SQWMUJJGWJMOGP-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)[C@@H]1SC ZINC000459393535 501645588 /nfs/dbraw/zinc/64/55/88/501645588.db2.gz VWKRZFLBUQUJMX-KURKYZTESA-N 1 3 354.585 3.459 20 0 FGADHO Clc1cccc2c1CCN(CC[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459511209 501666928 /nfs/dbraw/zinc/66/69/28/501666928.db2.gz OSOBIQAUYCTTOT-UHFFFAOYSA-N 1 3 370.928 3.352 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000477633969 501744797 /nfs/dbraw/zinc/74/47/97/501744797.db2.gz FBCTXZLVKSRHKB-HXUWFJFHSA-N 1 3 360.546 3.242 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000460257132 501773443 /nfs/dbraw/zinc/77/34/43/501773443.db2.gz PMFOEWXPSBUNQB-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470735516 501786180 /nfs/dbraw/zinc/78/61/80/501786180.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470735516 501786182 /nfs/dbraw/zinc/78/61/82/501786182.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000460359942 501803929 /nfs/dbraw/zinc/80/39/29/501803929.db2.gz PKGNKWGRZQTJEO-XCJLJZCSSA-N 1 3 371.569 3.428 20 0 FGADHO C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854477 501810094 /nfs/dbraw/zinc/81/00/94/501810094.db2.gz BKUHBGXNHFYBKU-MJGOQNOKSA-N 1 3 367.493 3.083 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834912 /nfs/dbraw/zinc/83/49/12/501834912.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834917 /nfs/dbraw/zinc/83/49/17/501834917.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 1 3 374.573 3.459 20 0 FGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000474464892 501844761 /nfs/dbraw/zinc/84/47/61/501844761.db2.gz VGDZSZTYXFPBHP-VXKWHMMOSA-N 1 3 359.558 3.119 20 0 FGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000474602906 501889929 /nfs/dbraw/zinc/88/99/29/501889929.db2.gz UJOIIQBXXCQKGQ-IRLDBZIGSA-N 1 3 359.558 3.384 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475128553 502069688 /nfs/dbraw/zinc/06/96/88/502069688.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475128553 502069692 /nfs/dbraw/zinc/06/96/92/502069692.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128157 502070083 /nfs/dbraw/zinc/07/00/83/502070083.db2.gz FWYCIUULSUMLGB-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)c1ccccc1 ZINC000475141229 502077972 /nfs/dbraw/zinc/07/79/72/502077972.db2.gz VOVOKWZLVXYNGH-NQIIRXRSSA-N 1 3 367.537 3.361 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000468521723 502089697 /nfs/dbraw/zinc/08/96/97/502089697.db2.gz FEABXBDFNYJQOB-NRFANRHFSA-N 1 3 374.573 3.443 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400694 502096974 /nfs/dbraw/zinc/09/69/74/502096974.db2.gz LFTZUPJPRVFSSR-IBGZPJMESA-N 1 3 351.579 3.467 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400694 502096978 /nfs/dbraw/zinc/09/69/78/502096978.db2.gz LFTZUPJPRVFSSR-IBGZPJMESA-N 1 3 351.579 3.467 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540807 502105596 /nfs/dbraw/zinc/10/55/96/502105596.db2.gz YVWSGFRFPLVFNL-INIZCTEOSA-N 1 3 373.463 3.306 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559200 502110149 /nfs/dbraw/zinc/11/01/49/502110149.db2.gz VTKXFVXVDORZFW-GXTWGEPZSA-N 1 3 358.313 3.231 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561160 502110944 /nfs/dbraw/zinc/11/09/44/502110944.db2.gz YVYDBYKTMVUSAX-YADHBBJMSA-N 1 3 365.521 3.147 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561160 502110947 /nfs/dbraw/zinc/11/09/47/502110947.db2.gz YVYDBYKTMVUSAX-YADHBBJMSA-N 1 3 365.521 3.147 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568546 502112813 /nfs/dbraw/zinc/11/28/13/502112813.db2.gz HFUURTMIQGOGEP-MAUKXSAKSA-N 1 3 371.550 3.456 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568546 502112817 /nfs/dbraw/zinc/11/28/17/502112817.db2.gz HFUURTMIQGOGEP-MAUKXSAKSA-N 1 3 371.550 3.456 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875213 502162051 /nfs/dbraw/zinc/16/20/51/502162051.db2.gz WJXUTRQDNSTOMM-PZJWPPBQSA-N 1 3 357.542 3.107 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875213 502162052 /nfs/dbraw/zinc/16/20/52/502162052.db2.gz WJXUTRQDNSTOMM-PZJWPPBQSA-N 1 3 357.542 3.107 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000471875213 502162054 /nfs/dbraw/zinc/16/20/54/502162054.db2.gz WJXUTRQDNSTOMM-PZJWPPBQSA-N 1 3 357.542 3.107 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296653 502217692 /nfs/dbraw/zinc/21/76/92/502217692.db2.gz QJAGHMGIEXPZPA-IBGZPJMESA-N 1 3 373.516 3.030 20 0 FGADHO CC1(C)C[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2cc(Br)ccc21 ZINC000479367312 502236220 /nfs/dbraw/zinc/23/62/20/502236220.db2.gz ZACRZFZRXPMYHZ-YOEHRIQHSA-N 1 3 367.331 3.218 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275764 /nfs/dbraw/zinc/27/57/64/502275764.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275768 /nfs/dbraw/zinc/27/57/68/502275768.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 1 3 374.573 3.410 20 0 FGADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279479 /nfs/dbraw/zinc/27/94/79/502279479.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 1 3 369.553 3.423 20 0 FGADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279484 /nfs/dbraw/zinc/27/94/84/502279484.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 1 3 369.553 3.423 20 0 FGADHO CC[N@H+](CC1CCC1)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000483123287 502281069 /nfs/dbraw/zinc/28/10/69/502281069.db2.gz UVJOJDJERKVYEC-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000483123287 502281074 /nfs/dbraw/zinc/28/10/74/502281074.db2.gz UVJOJDJERKVYEC-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000465559809 502308311 /nfs/dbraw/zinc/30/83/11/502308311.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000465559809 502308316 /nfs/dbraw/zinc/30/83/16/502308316.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 1 3 372.557 3.343 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793843 502386904 /nfs/dbraw/zinc/38/69/04/502386904.db2.gz WSCGSCFCGCYFPR-HXUWFJFHSA-N 1 3 374.573 3.169 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793843 502386909 /nfs/dbraw/zinc/38/69/09/502386909.db2.gz WSCGSCFCGCYFPR-HXUWFJFHSA-N 1 3 374.573 3.169 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000465817615 502393639 /nfs/dbraw/zinc/39/36/39/502393639.db2.gz SZKRXQWEBLCJSP-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(CC)C1CC1 ZINC000465844099 502400367 /nfs/dbraw/zinc/40/03/67/502400367.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(CC)C1CC1 ZINC000465844099 502400370 /nfs/dbraw/zinc/40/03/70/502400370.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000465861126 502406396 /nfs/dbraw/zinc/40/63/96/502406396.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000465861126 502406399 /nfs/dbraw/zinc/40/63/99/502406399.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000483630170 502447715 /nfs/dbraw/zinc/44/77/15/502447715.db2.gz XBWYQKITRCMJLC-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](C)CN1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000472970076 502487995 /nfs/dbraw/zinc/48/79/95/502487995.db2.gz KLAADWGEBINFCM-RBUKOAKNSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](C)CN1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472970076 502488000 /nfs/dbraw/zinc/48/80/00/502488000.db2.gz KLAADWGEBINFCM-RBUKOAKNSA-N 1 3 360.546 3.071 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000466147881 502489280 /nfs/dbraw/zinc/48/92/80/502489280.db2.gz YRJNABKCMWEDMZ-AZUAARDMSA-N 1 3 360.546 3.067 20 0 FGADHO CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCCN1CC)[NH+]1CCCC1 ZINC000476481369 502500708 /nfs/dbraw/zinc/50/07/08/502500708.db2.gz BODOURAOCDYODV-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+](C)C)cc2)[C@H]1Oc1ccccc1 ZINC000480334016 502540092 /nfs/dbraw/zinc/54/00/92/502540092.db2.gz MVVMUNVHBCKRHT-BHDDXSALSA-N 1 3 354.494 3.463 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000480468456 502577005 /nfs/dbraw/zinc/57/70/05/502577005.db2.gz KQUCDTONMVZSDQ-OAQYLSRUSA-N 1 3 358.501 3.477 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000480468456 502577010 /nfs/dbraw/zinc/57/70/10/502577010.db2.gz KQUCDTONMVZSDQ-OAQYLSRUSA-N 1 3 358.501 3.477 20 0 FGADHO C[C@H](NCC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2F)n1 ZINC000462812617 502583654 /nfs/dbraw/zinc/58/36/54/502583654.db2.gz IEHWOEBHDJRIJK-AWEZNQCLSA-N 1 3 363.502 3.304 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462860399 502602339 /nfs/dbraw/zinc/60/23/39/502602339.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 1 3 365.521 3.186 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462860399 502602344 /nfs/dbraw/zinc/60/23/44/502602344.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 1 3 365.521 3.186 20 0 FGADHO CCSc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000480571404 502606590 /nfs/dbraw/zinc/60/65/90/502606590.db2.gz IXKYHTIPORGXFL-GOSISDBHSA-N 1 3 363.571 3.287 20 0 FGADHO CCSc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000480571404 502606597 /nfs/dbraw/zinc/60/65/97/502606597.db2.gz IXKYHTIPORGXFL-GOSISDBHSA-N 1 3 363.571 3.287 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907369 502617397 /nfs/dbraw/zinc/61/73/97/502617397.db2.gz PWDFJFPEQFJANE-MSOLQXFVSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000469985464 502618392 /nfs/dbraw/zinc/61/83/92/502618392.db2.gz YCLRVZYMROXUKB-HDICACEKSA-N 1 3 357.542 3.366 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990235 502620874 /nfs/dbraw/zinc/62/08/74/502620874.db2.gz IGWCQNUVOHKMIT-LVNQGSGBSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990235 502620875 /nfs/dbraw/zinc/62/08/75/502620875.db2.gz IGWCQNUVOHKMIT-LVNQGSGBSA-N 1 3 355.526 3.171 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041820 502657067 /nfs/dbraw/zinc/65/70/67/502657067.db2.gz GMQWWVFXDSAVKO-SFHVURJKSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041820 502657073 /nfs/dbraw/zinc/65/70/73/502657073.db2.gz GMQWWVFXDSAVKO-SFHVURJKSA-N 1 3 351.922 3.137 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000480763953 502664530 /nfs/dbraw/zinc/66/45/30/502664530.db2.gz WZFVMFBBQASBDO-FKBYEOEOSA-N 1 3 367.622 3.470 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802405 502675273 /nfs/dbraw/zinc/67/52/73/502675273.db2.gz JALXNBKARLUSJU-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802405 502675275 /nfs/dbraw/zinc/67/52/75/502675275.db2.gz JALXNBKARLUSJU-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802405 502675278 /nfs/dbraw/zinc/67/52/78/502675278.db2.gz JALXNBKARLUSJU-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000463055959 502677851 /nfs/dbraw/zinc/67/78/51/502677851.db2.gz DMFAZGSSJBJUBO-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000463055959 502677856 /nfs/dbraw/zinc/67/78/56/502677856.db2.gz DMFAZGSSJBJUBO-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488507087 502735575 /nfs/dbraw/zinc/73/55/75/502735575.db2.gz VWALLGMJVSPMFG-BBTUJRGHSA-N 1 3 372.557 3.010 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488507087 502735577 /nfs/dbraw/zinc/73/55/77/502735577.db2.gz VWALLGMJVSPMFG-BBTUJRGHSA-N 1 3 372.557 3.010 20 0 FGADHO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@H]1C ZINC000463336142 502762980 /nfs/dbraw/zinc/76/29/80/502762980.db2.gz QAJYBNSRVAWARA-ZACQAIPSSA-N 1 3 356.514 3.403 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000473970138 502766017 /nfs/dbraw/zinc/76/60/17/502766017.db2.gz ONPDIPPKLUQMAA-XVAXZDLZSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(CC)CC ZINC000484938892 502781698 /nfs/dbraw/zinc/78/16/98/502781698.db2.gz MIZGURGIWKVIAX-PCCBWWKXSA-N 1 3 357.542 3.087 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(CC)CC ZINC000484938892 502781703 /nfs/dbraw/zinc/78/17/03/502781703.db2.gz MIZGURGIWKVIAX-PCCBWWKXSA-N 1 3 357.542 3.087 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474019715 502781890 /nfs/dbraw/zinc/78/18/90/502781890.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474019715 502781895 /nfs/dbraw/zinc/78/18/95/502781895.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787773 /nfs/dbraw/zinc/78/77/73/502787773.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787778 /nfs/dbraw/zinc/78/77/78/502787778.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC(F)(F)CC1 ZINC000474084209 502803314 /nfs/dbraw/zinc/80/33/14/502803314.db2.gz SQSQYSGXWFXKLH-HNNXBMFYSA-N 1 3 367.484 3.282 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000500816107 502869639 /nfs/dbraw/zinc/86/96/39/502869639.db2.gz WWPBHHHVMJINHL-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000489275715 502916537 /nfs/dbraw/zinc/91/65/37/502916537.db2.gz HHEBCZOIOKEEDO-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000489275715 502916541 /nfs/dbraw/zinc/91/65/41/502916541.db2.gz HHEBCZOIOKEEDO-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000501045897 502921037 /nfs/dbraw/zinc/92/10/37/502921037.db2.gz OFXPEQHMUJEIJR-VQTJNVASSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000501045897 502921040 /nfs/dbraw/zinc/92/10/40/502921040.db2.gz OFXPEQHMUJEIJR-VQTJNVASSA-N 1 3 360.546 3.161 20 0 FGADHO CC(C)N(C(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063595 502925763 /nfs/dbraw/zinc/92/57/63/502925763.db2.gz QJSMTWRTIXTZEL-SFHVURJKSA-N 1 3 360.546 3.264 20 0 FGADHO C[C@@H](C(=O)N(C)c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063282 502925833 /nfs/dbraw/zinc/92/58/33/502925833.db2.gz NFLCHDZYVHHQRX-SFHVURJKSA-N 1 3 366.509 3.281 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586530 502942112 /nfs/dbraw/zinc/94/21/12/502942112.db2.gz HIWVRARCKIFJFS-IRXDYDNUSA-N 1 3 364.534 3.130 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586530 502942115 /nfs/dbraw/zinc/94/21/15/502942115.db2.gz HIWVRARCKIFJFS-IRXDYDNUSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@H]1C[C@@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493906 502952240 /nfs/dbraw/zinc/95/22/40/502952240.db2.gz DLPZZRGLMZTVIQ-PKOBYXMFSA-N 1 3 368.525 3.107 20 0 FGADHO C[C@H]1C[C@@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493906 502952244 /nfs/dbraw/zinc/95/22/44/502952244.db2.gz DLPZZRGLMZTVIQ-PKOBYXMFSA-N 1 3 368.525 3.107 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505465 502955446 /nfs/dbraw/zinc/95/54/46/502955446.db2.gz KOGCAWJLYCMSIL-JQVVWYNYSA-N 1 3 368.525 3.239 20 0 FGADHO CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000501186635 502955617 /nfs/dbraw/zinc/95/56/17/502955617.db2.gz KGISGEJGCBUPKG-RTWAWAEBSA-N 1 3 374.573 3.345 20 0 FGADHO COCC[C@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497495847 502973187 /nfs/dbraw/zinc/97/31/87/502973187.db2.gz OPFGBLAMSGCVFR-IUPYZPJSSA-N 1 3 357.542 3.007 20 0 FGADHO COCC[C@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497495847 502973192 /nfs/dbraw/zinc/97/31/92/502973192.db2.gz OPFGBLAMSGCVFR-IUPYZPJSSA-N 1 3 357.542 3.007 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520234 502977900 /nfs/dbraw/zinc/97/79/00/502977900.db2.gz CHFYNXZIYVXUTQ-UYAOXDASSA-N 1 3 373.541 3.201 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000501491970 503019680 /nfs/dbraw/zinc/01/96/80/503019680.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000501491970 503019683 /nfs/dbraw/zinc/01/96/83/503019683.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555773 503037103 /nfs/dbraw/zinc/03/71/03/503037103.db2.gz XHNUDZWADIAAQN-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000513899970 503044704 /nfs/dbraw/zinc/04/47/04/503044704.db2.gz NQVXUKQHJPFUQG-UHFFFAOYSA-N 1 3 374.573 3.068 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810055 503046101 /nfs/dbraw/zinc/04/61/01/503046101.db2.gz XMOLKIOOCQIDAM-PMACEKPBSA-N 1 3 358.526 3.263 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501734554 503069287 /nfs/dbraw/zinc/06/92/87/503069287.db2.gz KUCNDEQFZGBRGO-GOSISDBHSA-N 1 3 367.484 3.120 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501734554 503069289 /nfs/dbraw/zinc/06/92/89/503069289.db2.gz KUCNDEQFZGBRGO-GOSISDBHSA-N 1 3 367.484 3.120 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000501808627 503084803 /nfs/dbraw/zinc/08/48/03/503084803.db2.gz DDNNTRXXQTUORF-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000501937406 503111932 /nfs/dbraw/zinc/11/19/32/503111932.db2.gz ICDJEOOCLDAGFK-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000490185703 503125813 /nfs/dbraw/zinc/12/58/13/503125813.db2.gz ZNHNQEBRUOZIEZ-GHTZIAJQSA-N 1 3 374.573 3.407 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000498405172 503180482 /nfs/dbraw/zinc/18/04/82/503180482.db2.gz ZBWZYTMSMHHQPR-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405175 503180656 /nfs/dbraw/zinc/18/06/56/503180656.db2.gz ZBWZYTMSMHHQPR-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736177 503181894 /nfs/dbraw/zinc/18/18/94/503181894.db2.gz QGLCVVLUAQXJEQ-QGZVFWFLSA-N 1 3 353.501 3.293 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000506878617 503187936 /nfs/dbraw/zinc/18/79/36/503187936.db2.gz ZZRQOUOUGPMJCI-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000498505894 503198671 /nfs/dbraw/zinc/19/86/71/503198671.db2.gz NUMPDBCMHVHFQF-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000498505894 503198676 /nfs/dbraw/zinc/19/86/76/503198676.db2.gz NUMPDBCMHVHFQF-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498596416 503223654 /nfs/dbraw/zinc/22/36/54/503223654.db2.gz PSJKEZZPAMQYQB-UHFFFAOYSA-N 1 3 364.578 3.301 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243850 /nfs/dbraw/zinc/24/38/50/503243850.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243853 /nfs/dbraw/zinc/24/38/53/503243853.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1cc([C@H](C)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1C ZINC000502709059 503256217 /nfs/dbraw/zinc/25/62/17/503256217.db2.gz SOLCZHPUQSXRKO-FQEVSTJZSA-N 1 3 369.557 3.290 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN2C)CCCC1)c1ccccc1 ZINC000502798887 503275041 /nfs/dbraw/zinc/27/50/41/503275041.db2.gz NWDWPEWACACHHU-MJGOQNOKSA-N 1 3 358.530 3.043 20 0 FGADHO FC(F)(F)c1cccc(CCCCN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000491131305 503277517 /nfs/dbraw/zinc/27/75/17/503277517.db2.gz CRCNGMCZXXCURX-GOSISDBHSA-N 1 3 355.448 3.008 20 0 FGADHO CC[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000503046347 503334655 /nfs/dbraw/zinc/33/46/55/503334655.db2.gz DADJJSUOUSRQNR-IBGZPJMESA-N 1 3 353.510 3.261 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000503091071 503345280 /nfs/dbraw/zinc/34/52/80/503345280.db2.gz DZIMYRSGAHJBBU-QGZVFWFLSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@H](NCCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198184 503364971 /nfs/dbraw/zinc/36/49/71/503364971.db2.gz KKOJXQFTNANEIF-ZWKOTPCHSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@H](NCCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198184 503364976 /nfs/dbraw/zinc/36/49/76/503364976.db2.gz KKOJXQFTNANEIF-ZWKOTPCHSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000503198184 503364978 /nfs/dbraw/zinc/36/49/78/503364978.db2.gz KKOJXQFTNANEIF-ZWKOTPCHSA-N 1 3 371.525 3.045 20 0 FGADHO CC[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800227 503368429 /nfs/dbraw/zinc/36/84/29/503368429.db2.gz ZCACLNWRZLCOFZ-KOUHRCEDSA-N 1 3 352.563 3.403 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390456 503399444 /nfs/dbraw/zinc/39/94/44/503399444.db2.gz LTOJHBJAWWLAGC-BQFCYCMXSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390456 503399448 /nfs/dbraw/zinc/39/94/48/503399448.db2.gz LTOJHBJAWWLAGC-BQFCYCMXSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882873 503407283 /nfs/dbraw/zinc/40/72/83/503407283.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882873 503407286 /nfs/dbraw/zinc/40/72/86/503407286.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882872 503407406 /nfs/dbraw/zinc/40/74/06/503407406.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCN1C ZINC000511882872 503407410 /nfs/dbraw/zinc/40/74/10/503407410.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 1 3 372.557 3.069 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1Cl ZINC000499496984 503418980 /nfs/dbraw/zinc/41/89/80/503418980.db2.gz GTKBKGQLLKLNJO-GOSISDBHSA-N 1 3 365.949 3.147 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1Cl ZINC000499496984 503418986 /nfs/dbraw/zinc/41/89/86/503418986.db2.gz GTKBKGQLLKLNJO-GOSISDBHSA-N 1 3 365.949 3.147 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000503525398 503429102 /nfs/dbraw/zinc/42/91/02/503429102.db2.gz DSDHAUFAPFVAML-VXKWHMMOSA-N 1 3 359.558 3.130 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000503525397 503429267 /nfs/dbraw/zinc/42/92/67/503429267.db2.gz DSDHAUFAPFVAML-FGZHOGPDSA-N 1 3 359.558 3.130 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)N(C)C ZINC000493866080 503450855 /nfs/dbraw/zinc/45/08/55/503450855.db2.gz ZOUJZWQVJNJMEG-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)C1CCCC1)N(C)C ZINC000493866080 503450856 /nfs/dbraw/zinc/45/08/56/503450856.db2.gz ZOUJZWQVJNJMEG-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1cc(Br)cc2c1[C@@H](NCCC[NH+]1CCC(O)CC1)CC2 ZINC000493944205 503463390 /nfs/dbraw/zinc/46/33/90/503463390.db2.gz HOGUSCGHCIJNAW-KRWDZBQOSA-N 1 3 367.331 3.181 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079380 503484134 /nfs/dbraw/zinc/48/41/34/503484134.db2.gz NPBPQKZLJZVOMN-SYYKKAFVSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079380 503484137 /nfs/dbraw/zinc/48/41/37/503484137.db2.gz NPBPQKZLJZVOMN-SYYKKAFVSA-N 1 3 369.553 3.420 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC000504036921 503513657 /nfs/dbraw/zinc/51/36/57/503513657.db2.gz OYSDWTZBZGLTOD-NRFANRHFSA-N 1 3 374.573 3.271 20 0 FGADHO Cc1nc2ccc(CNC3CC[NH+](C4CCN(C)CC4)CC3)cc2s1 ZINC000494373334 503532591 /nfs/dbraw/zinc/53/25/91/503532591.db2.gz XACMADPPQHLWHL-UHFFFAOYSA-N 1 3 358.555 3.253 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416600 503543957 /nfs/dbraw/zinc/54/39/57/503543957.db2.gz ANHZPRKFLAZTNC-CTNGQTDRSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416600 503543958 /nfs/dbraw/zinc/54/39/58/503543958.db2.gz ANHZPRKFLAZTNC-CTNGQTDRSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714576 503549437 /nfs/dbraw/zinc/54/94/37/503549437.db2.gz BVNDZOYLWNRDRP-PKOBYXMFSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@H](NCCOc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714576 503549443 /nfs/dbraw/zinc/54/94/43/503549443.db2.gz BVNDZOYLWNRDRP-PKOBYXMFSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@H](NCCOc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714576 503549447 /nfs/dbraw/zinc/54/94/47/503549447.db2.gz BVNDZOYLWNRDRP-PKOBYXMFSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@H](O)C[C@H]1CCCCCN1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550901 /nfs/dbraw/zinc/55/09/01/503550901.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@H](O)C[C@H]1CCCCCN1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550902 /nfs/dbraw/zinc/55/09/02/503550902.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550907 /nfs/dbraw/zinc/55/09/07/503550907.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550910 /nfs/dbraw/zinc/55/09/10/503550910.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 1 3 354.579 3.408 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C ZINC000508898125 503593215 /nfs/dbraw/zinc/59/32/15/503593215.db2.gz KLOJCLRDLPNJBV-WIYYLYMNSA-N 1 3 374.573 3.360 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N(C)C ZINC000508899184 503594181 /nfs/dbraw/zinc/59/41/81/503594181.db2.gz OAMCJBNROYZAHY-DYXWJJEUSA-N 1 3 372.557 3.256 20 0 FGADHO c1ccc(-c2n[nH]c(C3CCN(Cc4ccc5c(c4)C[NH2+]CC5)CC3)n2)cc1 ZINC000516872310 503605812 /nfs/dbraw/zinc/60/58/12/503605812.db2.gz VEQCWSFREZWXRB-UHFFFAOYSA-N 1 3 373.504 3.497 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118869 503674182 /nfs/dbraw/zinc/67/41/82/503674182.db2.gz JCBBIVCBZMNFFM-GJZGRUSLSA-N 1 3 371.978 3.380 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118869 503674189 /nfs/dbraw/zinc/67/41/89/503674189.db2.gz JCBBIVCBZMNFFM-GJZGRUSLSA-N 1 3 371.978 3.380 20 0 FGADHO Cn1c2ccc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000527238967 503734082 /nfs/dbraw/zinc/73/40/82/503734082.db2.gz WKLHCAMFVXSTLJ-SFHVURJKSA-N 1 3 367.518 3.212 20 0 FGADHO Cc1ncc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021843 503779433 /nfs/dbraw/zinc/77/94/33/503779433.db2.gz PACOLBALHCVOQU-QZTJIDSGSA-N 1 3 368.525 3.084 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CC=C(C)CC1)c1ccsc1 ZINC000546567750 503791877 /nfs/dbraw/zinc/79/18/77/503791877.db2.gz JGXQVVZCLXRGFO-GOSISDBHSA-N 1 3 364.559 3.082 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(CN2CCCCC2)c1 ZINC000530023353 503796667 /nfs/dbraw/zinc/79/66/67/503796667.db2.gz UXMVBVKZZAXKJH-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc(CN2CCCCC2)c1 ZINC000530023353 503796672 /nfs/dbraw/zinc/79/66/72/503796672.db2.gz UXMVBVKZZAXKJH-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO COC(=O)c1coc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634400 503836186 /nfs/dbraw/zinc/83/61/86/503836186.db2.gz ZCCQXKCFWIZPEJ-AEFFLSMTSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1coc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634400 503836188 /nfs/dbraw/zinc/83/61/88/503836188.db2.gz ZCCQXKCFWIZPEJ-AEFFLSMTSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628416 503838426 /nfs/dbraw/zinc/83/84/26/503838426.db2.gz ZTEOYXWFCFMCLG-FUHWJXTLSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628416 503838433 /nfs/dbraw/zinc/83/84/33/503838433.db2.gz ZTEOYXWFCFMCLG-FUHWJXTLSA-N 1 3 356.466 3.457 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CCN(C)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713761 503863149 /nfs/dbraw/zinc/86/31/49/503863149.db2.gz UTBKTEZWQLGFAU-QUCCMNQESA-N 1 3 366.509 3.077 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CCN(C)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000543713761 503863150 /nfs/dbraw/zinc/86/31/50/503863150.db2.gz UTBKTEZWQLGFAU-QUCCMNQESA-N 1 3 366.509 3.077 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762212 503883128 /nfs/dbraw/zinc/88/31/28/503883128.db2.gz ISNZKCFPDVAAFX-KKSHJYNMSA-N 1 3 368.521 3.321 20 0 FGADHO c1ccc2cc(OCCN3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530240969 503889180 /nfs/dbraw/zinc/88/91/80/503889180.db2.gz OKSZHFAZOGPDJE-QFIPXVFZSA-N 1 3 354.494 3.309 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@]12CCCO2 ZINC000546874259 503911779 /nfs/dbraw/zinc/91/17/79/503911779.db2.gz KSGWBDJOCWTTJV-DVWBAYGPSA-N 1 3 362.514 3.004 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344773 503957684 /nfs/dbraw/zinc/95/76/84/503957684.db2.gz XTMNEDZDZJEMGS-HLAWJBBLSA-N 1 3 372.557 3.276 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402360 503975116 /nfs/dbraw/zinc/97/51/16/503975116.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402360 503975123 /nfs/dbraw/zinc/97/51/23/503975123.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)c1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000527907978 503993886 /nfs/dbraw/zinc/99/38/86/503993886.db2.gz JLRFJLSJVLCLBY-IBGZPJMESA-N 1 3 359.558 3.257 20 0 FGADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000541085757 504002251 /nfs/dbraw/zinc/00/22/51/504002251.db2.gz JPHTVXXTAHJAOF-IBGZPJMESA-N 1 3 351.579 3.467 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544362397 504104344 /nfs/dbraw/zinc/10/43/44/504104344.db2.gz GWCBQALPHVOEOH-IBGZPJMESA-N 1 3 353.466 3.190 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633604 504162539 /nfs/dbraw/zinc/16/25/39/504162539.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633604 504162544 /nfs/dbraw/zinc/16/25/44/504162544.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 1 3 372.557 3.071 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000541572319 504182121 /nfs/dbraw/zinc/18/21/21/504182121.db2.gz FCCDTOSHVBNZHW-AWEZNQCLSA-N 1 3 355.473 3.022 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190885 /nfs/dbraw/zinc/19/08/85/504190885.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190891 /nfs/dbraw/zinc/19/08/91/504190891.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 1 3 372.557 3.242 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000519383442 504208161 /nfs/dbraw/zinc/20/81/61/504208161.db2.gz WOTBAVRTYARFPU-RTWAWAEBSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000519479571 504229160 /nfs/dbraw/zinc/22/91/60/504229160.db2.gz DHDTWYAJFXAMED-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398021 504233845 /nfs/dbraw/zinc/23/38/45/504233845.db2.gz AVKMSFGGGZWCPQ-FCHUYYIVSA-N 1 3 371.569 3.261 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(C[C@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526547 504261229 /nfs/dbraw/zinc/26/12/29/504261229.db2.gz JSRXFZPXABWCNA-NRFANRHFSA-N 1 3 363.521 3.005 20 0 FGADHO CCN1CCC([N@H+]2CCCN(C[C@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526547 504261234 /nfs/dbraw/zinc/26/12/34/504261234.db2.gz JSRXFZPXABWCNA-NRFANRHFSA-N 1 3 363.521 3.005 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C[C@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526547 504261238 /nfs/dbraw/zinc/26/12/38/504261238.db2.gz JSRXFZPXABWCNA-NRFANRHFSA-N 1 3 363.521 3.005 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922999 504303728 /nfs/dbraw/zinc/30/37/28/504303728.db2.gz WOPMHLSBLXGFPR-WMZOPIPTSA-N 1 3 355.482 3.192 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922999 504303732 /nfs/dbraw/zinc/30/37/32/504303732.db2.gz WOPMHLSBLXGFPR-WMZOPIPTSA-N 1 3 355.482 3.192 20 0 FGADHO CN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548061172 504314857 /nfs/dbraw/zinc/31/48/57/504314857.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548061172 504314860 /nfs/dbraw/zinc/31/48/60/504314860.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 1 3 357.542 3.374 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2c(Br)cccc21 ZINC000542152971 504383416 /nfs/dbraw/zinc/38/34/16/504383416.db2.gz ZXIBAHLQCSJPDK-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2c(Br)cccc21 ZINC000542152971 504383420 /nfs/dbraw/zinc/38/34/20/504383420.db2.gz ZXIBAHLQCSJPDK-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@H+](C)CCCN[C@H]1CCCc2ccc(Br)cc21 ZINC000538866732 504398431 /nfs/dbraw/zinc/39/84/31/504398431.db2.gz BOYNYDQMCSYLPL-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2ccc(Br)cc21 ZINC000538866732 504398437 /nfs/dbraw/zinc/39/84/37/504398437.db2.gz BOYNYDQMCSYLPL-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178250 504428015 /nfs/dbraw/zinc/42/80/15/504428015.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178250 504428018 /nfs/dbraw/zinc/42/80/18/504428018.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000539071683 504464829 /nfs/dbraw/zinc/46/48/29/504464829.db2.gz YJDAHTCKFGEOBQ-FHWLQOOXSA-N 1 3 361.530 3.191 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000542519675 504523538 /nfs/dbraw/zinc/52/35/38/504523538.db2.gz BVHLPDRLXUJOOM-SFHVURJKSA-N 1 3 368.949 3.442 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734732 504569604 /nfs/dbraw/zinc/56/96/04/504569604.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 1 3 373.516 3.171 20 0 FGADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734732 504569607 /nfs/dbraw/zinc/56/96/07/504569607.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 1 3 373.516 3.171 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NCC2=CCN(C)CC2)CCCC1)c1ccccc1 ZINC000539475457 504583721 /nfs/dbraw/zinc/58/37/21/504583721.db2.gz QBZDSYLCZINEKZ-SFHVURJKSA-N 1 3 370.541 3.211 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000542948828 504670294 /nfs/dbraw/zinc/67/02/94/504670294.db2.gz BUWNSMLGOHBDFK-MRXNPFEDSA-N 1 3 369.431 3.273 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000521193842 504675096 /nfs/dbraw/zinc/67/50/96/504675096.db2.gz VDDRJYVHWZNNBL-OAQYLSRUSA-N 1 3 355.526 3.129 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000542964713 504675347 /nfs/dbraw/zinc/67/53/47/504675347.db2.gz MRKPUKHXZCDOFS-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000549807464 504903531 /nfs/dbraw/zinc/90/35/31/504903531.db2.gz BKSAGJHOCPLKOG-GHTZIAJQSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000549807464 504903535 /nfs/dbraw/zinc/90/35/35/504903535.db2.gz BKSAGJHOCPLKOG-GHTZIAJQSA-N 1 3 373.541 3.213 20 0 FGADHO Cn1cccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549879865 504923875 /nfs/dbraw/zinc/92/38/75/504923875.db2.gz NPEYVHGNVDCFGI-HXUWFJFHSA-N 1 3 353.510 3.044 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000565654949 504950664 /nfs/dbraw/zinc/95/06/64/504950664.db2.gz ZMPSTXLCMAVCCD-PXNSSMCTSA-N 1 3 360.542 3.272 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550123578 504972044 /nfs/dbraw/zinc/97/20/44/504972044.db2.gz PCTSNIWTFDXQEC-UHFFFAOYSA-N 1 3 355.526 3.230 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550123578 504972046 /nfs/dbraw/zinc/97/20/46/504972046.db2.gz PCTSNIWTFDXQEC-UHFFFAOYSA-N 1 3 355.526 3.230 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000565757697 504979179 /nfs/dbraw/zinc/97/91/79/504979179.db2.gz CZHMYARAKDOKAP-MYGLTJDJSA-N 1 3 358.526 3.215 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000565757697 504979183 /nfs/dbraw/zinc/97/91/83/504979183.db2.gz CZHMYARAKDOKAP-MYGLTJDJSA-N 1 3 358.526 3.215 20 0 FGADHO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556884084 505005869 /nfs/dbraw/zinc/00/58/69/505005869.db2.gz PIZLLRBUUAFKHK-PCCBWWKXSA-N 1 3 367.541 3.121 20 0 FGADHO CSc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000562985330 505010868 /nfs/dbraw/zinc/01/08/68/505010868.db2.gz QMYHKNQYZCLYEL-MRXNPFEDSA-N 1 3 352.544 3.001 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988897 505011703 /nfs/dbraw/zinc/01/17/03/505011703.db2.gz CQSSNBIBSJZRBS-GDBMZVCRSA-N 1 3 357.420 3.496 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988897 505011706 /nfs/dbraw/zinc/01/17/06/505011706.db2.gz CQSSNBIBSJZRBS-GDBMZVCRSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000560340232 505050764 /nfs/dbraw/zinc/05/07/64/505050764.db2.gz FKFBWKQYOIYVPH-HNNXBMFYSA-N 1 3 373.463 3.151 20 0 FGADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000563122790 505053456 /nfs/dbraw/zinc/05/34/56/505053456.db2.gz DMJGFNHOZQTMLZ-YRPNKDGESA-N 1 3 355.526 3.171 20 0 FGADHO O=C1CCCN1[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203170 505074478 /nfs/dbraw/zinc/07/44/78/505074478.db2.gz FIOSJSZLPYPGGQ-NRFANRHFSA-N 1 3 355.526 3.259 20 0 FGADHO CN1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185389 505106882 /nfs/dbraw/zinc/10/68/82/505106882.db2.gz BOLZCCGXIVGVRC-DBXWQHBBSA-N 1 3 371.550 3.207 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000566286971 505134803 /nfs/dbraw/zinc/13/48/03/505134803.db2.gz ORXFBKZTKIVNRP-JOCHJYFZSA-N 1 3 365.521 3.261 20 0 FGADHO FC(F)(F)c1cnc(NCCNC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000560603797 505141035 /nfs/dbraw/zinc/14/10/35/505141035.db2.gz DOBZDNXUHUHEQS-UHFFFAOYSA-N 1 3 362.827 3.382 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000551006640 505141193 /nfs/dbraw/zinc/14/11/93/505141193.db2.gz VAMQAMFSPDEKEJ-OAQYLSRUSA-N 1 3 365.521 3.182 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000566332918 505145921 /nfs/dbraw/zinc/14/59/21/505145921.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000566332918 505145924 /nfs/dbraw/zinc/14/59/24/505145924.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 1 3 360.546 3.069 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921082 505211315 /nfs/dbraw/zinc/21/13/15/505211315.db2.gz VVAXCPPZKBUQDX-MISYRCLQSA-N 1 3 350.547 3.347 20 0 FGADHO CN(C)C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000561046631 505237546 /nfs/dbraw/zinc/23/75/46/505237546.db2.gz VNOSJABERMUNIA-LJQANCHMSA-N 1 3 372.900 3.410 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)CC1 ZINC000561067570 505242437 /nfs/dbraw/zinc/24/24/37/505242437.db2.gz KZXBWWMTLGABJW-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537087 505246511 /nfs/dbraw/zinc/24/65/11/505246511.db2.gz LSCRRJNZWUJQJL-NHCUHLMSSA-N 1 3 359.558 3.240 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537088 505246522 /nfs/dbraw/zinc/24/65/22/505246522.db2.gz LSCRRJNZWUJQJL-RTWAWAEBSA-N 1 3 359.558 3.240 20 0 FGADHO COc1cc(OC)cc(OCCCN(C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000563816694 505246856 /nfs/dbraw/zinc/24/68/56/505246856.db2.gz QYBSHOSFBANWCE-UHFFFAOYSA-N 1 3 370.493 3.250 20 0 FGADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000563936792 505280672 /nfs/dbraw/zinc/28/06/72/505280672.db2.gz LHJCRDSUQARYOA-VSKRKVRLSA-N 1 3 363.505 3.318 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279257 505301878 /nfs/dbraw/zinc/30/18/78/505301878.db2.gz NANSNWHYMWPCKG-MOPGFXCFSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279257 505301883 /nfs/dbraw/zinc/30/18/83/505301883.db2.gz NANSNWHYMWPCKG-MOPGFXCFSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279257 505301888 /nfs/dbraw/zinc/30/18/88/505301888.db2.gz NANSNWHYMWPCKG-MOPGFXCFSA-N 1 3 368.525 3.150 20 0 FGADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccccc2C1 ZINC000558146758 505319675 /nfs/dbraw/zinc/31/96/75/505319675.db2.gz NMAHZZYLXGDHMY-FKVLARQCSA-N 1 3 369.553 3.106 20 0 FGADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000551978322 505359962 /nfs/dbraw/zinc/35/99/62/505359962.db2.gz MSKQDBQOQAYVER-KRWDZBQOSA-N 1 3 362.514 3.179 20 0 FGADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551978322 505359967 /nfs/dbraw/zinc/35/99/67/505359967.db2.gz MSKQDBQOQAYVER-KRWDZBQOSA-N 1 3 362.514 3.179 20 0 FGADHO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000558349316 505365668 /nfs/dbraw/zinc/36/56/68/505365668.db2.gz UQNFXPDPAGMRPB-MAUKXSAKSA-N 1 3 360.546 3.286 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760218 505429202 /nfs/dbraw/zinc/42/92/02/505429202.db2.gz APUODCFWEVSKLP-TXPKVOOTSA-N 1 3 369.509 3.297 20 0 FGADHO CN(CC(O)C[N@H+](C)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 ZINC000561960577 505479045 /nfs/dbraw/zinc/47/90/45/505479045.db2.gz CADRGIDYAGCFAR-UHFFFAOYSA-N 1 3 354.432 3.367 20 0 FGADHO CN(CC(O)C[N@@H+](C)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 ZINC000561960577 505479048 /nfs/dbraw/zinc/47/90/48/505479048.db2.gz CADRGIDYAGCFAR-UHFFFAOYSA-N 1 3 354.432 3.367 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000562180068 505533359 /nfs/dbraw/zinc/53/33/59/505533359.db2.gz KCFZQNISVZIZON-UHFFFAOYSA-N 1 3 352.567 3.203 20 0 FGADHO COc1cncc(/C=C/CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901057 505553991 /nfs/dbraw/zinc/55/39/91/505553991.db2.gz ZBZZHSVQBFCXFO-RMSIBTEPSA-N 1 3 373.541 3.315 20 0 FGADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000567829421 505566535 /nfs/dbraw/zinc/56/65/35/505566535.db2.gz KIJRQYBOZWFLMU-SFHVURJKSA-N 1 3 367.468 3.322 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167795 506450572 /nfs/dbraw/zinc/45/05/72/506450572.db2.gz SZLSCSCIUCCVLW-RTWAWAEBSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)(C)N1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904262 506481430 /nfs/dbraw/zinc/48/14/30/506481430.db2.gz JBFNGVNTSFQUJI-RTBURBONSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)(C)N1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904262 506481433 /nfs/dbraw/zinc/48/14/33/506481433.db2.gz JBFNGVNTSFQUJI-RTBURBONSA-N 1 3 355.526 3.173 20 0 FGADHO CN1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614703 /nfs/dbraw/zinc/61/47/03/506614703.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 1 3 363.509 3.031 20 0 FGADHO CN1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614708 /nfs/dbraw/zinc/61/47/08/506614708.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 1 3 363.509 3.031 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634592 506642188 /nfs/dbraw/zinc/64/21/88/506642188.db2.gz QENDFSIMLWAROU-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634592 506642196 /nfs/dbraw/zinc/64/21/96/506642196.db2.gz QENDFSIMLWAROU-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000608688411 506666266 /nfs/dbraw/zinc/66/62/66/506666266.db2.gz IZSXOWCBIOPRFL-PMACEKPBSA-N 1 3 374.573 3.269 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604176082 506737969 /nfs/dbraw/zinc/73/79/69/506737969.db2.gz VMVXWQKIZSPRNN-HBMCJLEFSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604176082 506737973 /nfs/dbraw/zinc/73/79/73/506737973.db2.gz VMVXWQKIZSPRNN-HBMCJLEFSA-N 1 3 370.541 3.140 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184569 506740922 /nfs/dbraw/zinc/74/09/22/506740922.db2.gz XSBVKBVDOZYUBN-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184569 506740926 /nfs/dbraw/zinc/74/09/26/506740926.db2.gz XSBVKBVDOZYUBN-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092933 506773030 /nfs/dbraw/zinc/77/30/30/506773030.db2.gz SGXDGJYPJCYSOD-OALUTQOASA-N 1 3 359.558 3.176 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092933 506773036 /nfs/dbraw/zinc/77/30/36/506773036.db2.gz SGXDGJYPJCYSOD-OALUTQOASA-N 1 3 359.558 3.176 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604656138 506903317 /nfs/dbraw/zinc/90/33/17/506903317.db2.gz CYIFTPMVNDXWJB-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604656138 506903319 /nfs/dbraw/zinc/90/33/19/506903319.db2.gz CYIFTPMVNDXWJB-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000600449151 506959068 /nfs/dbraw/zinc/95/90/68/506959068.db2.gz MLJJVXSCYWZUEV-LJQANCHMSA-N 1 3 361.530 3.011 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921539 507052644 /nfs/dbraw/zinc/05/26/44/507052644.db2.gz JGXHGTDWHFBBKQ-DYESRHJHSA-N 1 3 372.557 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921539 507052650 /nfs/dbraw/zinc/05/26/50/507052650.db2.gz JGXHGTDWHFBBKQ-DYESRHJHSA-N 1 3 372.557 3.326 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000600844101 507144412 /nfs/dbraw/zinc/14/44/12/507144412.db2.gz SAWRZYJNOPXPIJ-ROUUACIJSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844101 507144418 /nfs/dbraw/zinc/14/44/18/507144418.db2.gz SAWRZYJNOPXPIJ-ROUUACIJSA-N 1 3 366.575 3.305 20 0 FGADHO Clc1cnc(NCC[NH2+]C2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000584098866 507152181 /nfs/dbraw/zinc/15/21/81/507152181.db2.gz DNQAUXDBACSPJU-UHFFFAOYSA-N 1 3 366.296 3.454 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203112 507152724 /nfs/dbraw/zinc/15/27/24/507152724.db2.gz DKIFOOOIYJJRBI-VXKWHMMOSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203112 507152730 /nfs/dbraw/zinc/15/27/30/507152730.db2.gz DKIFOOOIYJJRBI-VXKWHMMOSA-N 1 3 371.569 3.178 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000600901447 507171153 /nfs/dbraw/zinc/17/11/53/507171153.db2.gz GHZKCBXOMJGDPW-NRFANRHFSA-N 1 3 372.557 3.216 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452007 507256139 /nfs/dbraw/zinc/25/61/39/507256139.db2.gz NSFZZQVAKCYTSV-SFHVURJKSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000584323907 507280994 /nfs/dbraw/zinc/28/09/94/507280994.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000584323907 507281002 /nfs/dbraw/zinc/28/10/02/507281002.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523948 507392735 /nfs/dbraw/zinc/39/27/35/507392735.db2.gz PGJPUVSTEVJYRF-KFKAGJAMSA-N 1 3 363.440 3.133 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623191 507455640 /nfs/dbraw/zinc/45/56/40/507455640.db2.gz BSIRMGFTECPCIH-XLIONFOSSA-N 1 3 360.546 3.099 20 0 FGADHO CC[NH+]1CCC(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000584738427 507476490 /nfs/dbraw/zinc/47/64/90/507476490.db2.gz IKHFIOFZLFBGBH-IBGZPJMESA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)c2cccnc12 ZINC000584787860 507504711 /nfs/dbraw/zinc/50/47/11/507504711.db2.gz SEBMUUJIXHPFOR-SFHVURJKSA-N 1 3 358.505 3.222 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)c2cccnc12 ZINC000584787860 507504719 /nfs/dbraw/zinc/50/47/19/507504719.db2.gz SEBMUUJIXHPFOR-SFHVURJKSA-N 1 3 358.505 3.222 20 0 FGADHO C[C@@H](OC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834550 507531756 /nfs/dbraw/zinc/53/17/56/507531756.db2.gz BHTZWARHGWTWLO-QRWLVFNGSA-N 1 3 366.933 3.385 20 0 FGADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000607246880 507670637 /nfs/dbraw/zinc/67/06/37/507670637.db2.gz SWIQGJJTHZLHNT-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000587183791 507706458 /nfs/dbraw/zinc/70/64/58/507706458.db2.gz QJSGUWYMZDAXSU-UHFFFAOYSA-N 1 3 358.530 3.321 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139742 568448286 /nfs/dbraw/zinc/44/82/86/568448286.db2.gz OCGCFYJKTHSASV-DLBZAZTESA-N 1 3 364.534 3.225 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154318780 705030849 /nfs/dbraw/zinc/03/08/49/705030849.db2.gz VFQZSDYHXZCMER-QGZVFWFLSA-N 1 3 353.963 3.494 20 0 FGADHO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000182723663 705858480 /nfs/dbraw/zinc/85/84/80/705858480.db2.gz DKWGYIAMXCFBKL-ROUUACIJSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391318 713648622 /nfs/dbraw/zinc/64/86/22/713648622.db2.gz UUICNJRUJVBGEF-MSOLQXFVSA-N 1 3 353.551 3.486 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1(F)F ZINC000414299992 714003845 /nfs/dbraw/zinc/00/38/45/714003845.db2.gz LDAAJZRYPXZFIN-BRIYLRKRSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1(F)F ZINC000414299992 714003848 /nfs/dbraw/zinc/00/38/48/714003848.db2.gz LDAAJZRYPXZFIN-BRIYLRKRSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1(F)F ZINC000414299992 714003853 /nfs/dbraw/zinc/00/38/53/714003853.db2.gz LDAAJZRYPXZFIN-BRIYLRKRSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCC1(F)F ZINC000414299994 714003983 /nfs/dbraw/zinc/00/39/83/714003983.db2.gz LDAAJZRYPXZFIN-MTHXSQLBSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCC1(F)F ZINC000414299994 714003985 /nfs/dbraw/zinc/00/39/85/714003985.db2.gz LDAAJZRYPXZFIN-MTHXSQLBSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1(F)F ZINC000414299994 714003989 /nfs/dbraw/zinc/00/39/89/714003989.db2.gz LDAAJZRYPXZFIN-MTHXSQLBSA-N 1 3 350.453 3.035 20 0 FGADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672312 714543902 /nfs/dbraw/zinc/54/39/02/714543902.db2.gz UBNMRRUGZTYSHR-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672312 714543903 /nfs/dbraw/zinc/54/39/03/714543903.db2.gz UBNMRRUGZTYSHR-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO COc1cc(CCC[NH2+]C2CCN(C(C)(C)C)CC2)cc(OC)c1O ZINC000621743410 715023295 /nfs/dbraw/zinc/02/32/95/715023295.db2.gz POZSKPDTENIBFR-UHFFFAOYSA-N 1 3 350.503 3.195 20 0 FGADHO CN1CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478621 715344263 /nfs/dbraw/zinc/34/42/63/715344263.db2.gz RZXUCKONRWXZEY-CHWSQXEVSA-N 1 3 353.869 3.047 20 0 FGADHO O[C@H](CN[C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872081 715420134 /nfs/dbraw/zinc/42/01/34/715420134.db2.gz VFTCGANELKEFAW-QRQLOZEOSA-N 1 3 352.519 3.275 20 0 FGADHO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000623978476 715445465 /nfs/dbraw/zinc/44/54/65/715445465.db2.gz VDFGBZQELUZVMT-HNNXBMFYSA-N 1 3 368.363 3.434 20 0 FGADHO CN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)CC(F)F ZINC000624329109 715512484 /nfs/dbraw/zinc/51/24/84/715512484.db2.gz MGJZRLZMDRNZES-QRVBRYPASA-N 1 3 351.485 3.216 20 0 FGADHO CN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)CC(F)F ZINC000624329109 715512489 /nfs/dbraw/zinc/51/24/89/715512489.db2.gz MGJZRLZMDRNZES-QRVBRYPASA-N 1 3 351.485 3.216 20 0 FGADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654778 715767369 /nfs/dbraw/zinc/76/73/69/715767369.db2.gz QUKODWIPQUXHOZ-FPCVCCKLSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654778 715767373 /nfs/dbraw/zinc/76/73/73/715767373.db2.gz QUKODWIPQUXHOZ-FPCVCCKLSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1C[NH+](CCOCCN2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654778 715767375 /nfs/dbraw/zinc/76/73/75/715767375.db2.gz QUKODWIPQUXHOZ-FPCVCCKLSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000638380514 717441307 /nfs/dbraw/zinc/44/13/07/717441307.db2.gz FNVXIHSUULEACQ-PKOBYXMFSA-N 1 3 351.485 3.218 20 0 FGADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531805 718119815 /nfs/dbraw/zinc/11/98/15/718119815.db2.gz OXIOPQJIOYBYEM-CYBMUJFWSA-N 1 3 355.404 3.108 20 0 FGADHO C[C@@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586022 718438246 /nfs/dbraw/zinc/43/82/46/718438246.db2.gz SLWPHRLVAGZVCE-MGPUTAFESA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586022 718438248 /nfs/dbraw/zinc/43/82/48/718438248.db2.gz SLWPHRLVAGZVCE-MGPUTAFESA-N 1 3 351.485 3.169 20 0 FGADHO CN1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650416223 718674664 /nfs/dbraw/zinc/67/46/64/718674664.db2.gz YGAAJWPDVNTUDT-UHFFFAOYSA-N 1 3 362.543 3.044 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705366 718716372 /nfs/dbraw/zinc/71/63/72/718716372.db2.gz FKGVDJNUOKZWAV-ZOBUZTSGSA-N 1 3 368.905 3.076 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707717 718717347 /nfs/dbraw/zinc/71/73/47/718717347.db2.gz LTKMHAQGUFNNOF-BQFCYCMXSA-N 1 3 367.331 3.476 20 0 FGADHO Clc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000656786446 719471172 /nfs/dbraw/zinc/47/11/72/719471172.db2.gz MPJVPJUFUDMLQH-INIZCTEOSA-N 1 3 359.905 3.132 20 0 FGADHO COCc1csc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000657349875 719631321 /nfs/dbraw/zinc/63/13/21/719631321.db2.gz PAKIKMAUMYVFMM-UHFFFAOYSA-N 1 3 360.523 3.141 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC000781918672 724612222 /nfs/dbraw/zinc/61/22/22/724612222.db2.gz YRFUBODCSYNBMS-HXUWFJFHSA-N 1 3 351.535 3.195 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC000781918672 724612225 /nfs/dbraw/zinc/61/22/25/724612225.db2.gz YRFUBODCSYNBMS-HXUWFJFHSA-N 1 3 351.535 3.195 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657888178 719725329 /nfs/dbraw/zinc/72/53/29/719725329.db2.gz OZYYAIUMHHCEDS-LLVKDONJSA-N 1 3 361.711 3.210 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658113954 719759256 /nfs/dbraw/zinc/75/92/56/719759256.db2.gz IQCRATHKAYUNBX-WJRACZLCSA-N 1 3 352.563 3.185 20 0 FGADHO FC1(F)C[C@H]1OCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660149006 719997469 /nfs/dbraw/zinc/99/74/69/719997469.db2.gz GAQWUSFUZDASEF-GOSISDBHSA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@H]1OCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660149006 719997470 /nfs/dbraw/zinc/99/74/70/719997470.db2.gz GAQWUSFUZDASEF-GOSISDBHSA-N 1 3 350.453 3.399 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296750 720411645 /nfs/dbraw/zinc/41/16/45/720411645.db2.gz MZAGOSIEMHYJTM-RDJZCZTQSA-N 1 3 361.555 3.447 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298688 720412109 /nfs/dbraw/zinc/41/21/09/720412109.db2.gz WUZRWQBVFGMARQ-QAPCUYQASA-N 1 3 363.933 3.056 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000664172309 720604222 /nfs/dbraw/zinc/60/42/22/720604222.db2.gz GECQMMVTNZNHDB-KBPBESRZSA-N 1 3 372.916 3.111 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000664172309 720604227 /nfs/dbraw/zinc/60/42/27/720604227.db2.gz GECQMMVTNZNHDB-KBPBESRZSA-N 1 3 372.916 3.111 20 0 FGADHO CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639199 720794363 /nfs/dbraw/zinc/79/43/63/720794363.db2.gz PLZOYBUHGDNDJB-RDJZCZTQSA-N 1 3 366.575 3.039 20 0 FGADHO CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639199 720794365 /nfs/dbraw/zinc/79/43/65/720794365.db2.gz PLZOYBUHGDNDJB-RDJZCZTQSA-N 1 3 366.575 3.039 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000666857785 720991671 /nfs/dbraw/zinc/99/16/71/720991671.db2.gz JGIDMUVNKMQJTH-STQMWFEESA-N 1 3 359.392 3.034 20 0 FGADHO CCC[N@H+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634107 /nfs/dbraw/zinc/63/41/07/721634107.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634109 /nfs/dbraw/zinc/63/41/09/721634109.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO Cc1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994910 722205918 /nfs/dbraw/zinc/20/59/18/722205918.db2.gz JSFSWGOEWFYSJL-NRFANRHFSA-N 1 3 354.473 3.233 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789122 722409899 /nfs/dbraw/zinc/40/98/99/722409899.db2.gz SZKMREOUBPMTTN-BZSNNMDCSA-N 1 3 353.551 3.486 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796697425 723650656 /nfs/dbraw/zinc/65/06/56/723650656.db2.gz XADLOGFJUJSNRS-MRXNPFEDSA-N 1 3 353.938 3.335 20 0 FGADHO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000775579708 724002805 /nfs/dbraw/zinc/00/28/05/724002805.db2.gz DTLRDMLAQXLQQI-IAGOWNOFSA-N 1 3 351.535 3.240 20 0 FGADHO CC[N@H+](CCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311939 724004855 /nfs/dbraw/zinc/00/48/55/724004855.db2.gz JWWTWQHYPHKPLO-HXUWFJFHSA-N 1 3 351.510 3.334 20 0 FGADHO CC[N@@H+](CCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311939 724004863 /nfs/dbraw/zinc/00/48/63/724004863.db2.gz JWWTWQHYPHKPLO-HXUWFJFHSA-N 1 3 351.510 3.334 20 0 FGADHO CN(C)C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000802383279 724380408 /nfs/dbraw/zinc/38/04/08/724380408.db2.gz NQCIKWBYBAAUCV-SFHVURJKSA-N 1 3 351.922 3.325 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096160 /nfs/dbraw/zinc/09/61/60/725096160.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096162 /nfs/dbraw/zinc/09/61/62/725096162.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N(CC[NH2+]C1CCN(CC2CC2)CC1)C(C)(C)C ZINC000809606967 725251823 /nfs/dbraw/zinc/25/18/23/725251823.db2.gz KVCBCCBPSGFPNY-UHFFFAOYSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818940956 727328412 /nfs/dbraw/zinc/32/84/12/727328412.db2.gz LUABDZBCPXQZQJ-QGZVFWFLSA-N 1 3 373.310 3.258 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC[C@H](O)c1ccc(F)c(Br)c1 ZINC000819078270 727345004 /nfs/dbraw/zinc/34/50/04/727345004.db2.gz IBOUVZKSLAQBOU-BBRMVZONSA-N 1 3 359.283 3.086 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000823677166 729298048 /nfs/dbraw/zinc/29/80/48/729298048.db2.gz RAYQFVDCAFMQOH-FOIQADDNSA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000823818571 729306646 /nfs/dbraw/zinc/30/66/46/729306646.db2.gz IDKUGTHSHPXXQS-ROUUACIJSA-N 1 3 355.567 3.493 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccsc1 ZINC000841692092 730264892 /nfs/dbraw/zinc/26/48/92/730264892.db2.gz DHPKAYMHXHGYRJ-OFLPRAFFSA-N 1 3 352.548 3.042 20 0 FGADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364210 730610902 /nfs/dbraw/zinc/61/09/02/730610902.db2.gz RQZKNGLRRXWLBL-CYBMUJFWSA-N 1 3 370.324 3.246 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(C)s3)CC2)CC1 ZINC000847379445 731050820 /nfs/dbraw/zinc/05/08/20/731050820.db2.gz GASHBTJVDGWNIQ-INIZCTEOSA-N 1 3 363.571 3.430 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105840 731230073 /nfs/dbraw/zinc/23/00/73/731230073.db2.gz FFAGTPHNAQEIOT-HEHGZKQESA-N 1 3 355.313 3.448 20 0 FGADHO [NH2+]=C(NC[C@@H]1CCCC1(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849115412 731230909 /nfs/dbraw/zinc/23/09/09/731230909.db2.gz SERFPVXTTMFQNC-INIZCTEOSA-N 1 3 350.457 3.200 20 0 FGADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554453 731372321 /nfs/dbraw/zinc/37/23/21/731372321.db2.gz DARCQHDNFUWDIB-YJBOKZPZSA-N 1 3 373.324 3.260 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCCN(C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482243 732840134 /nfs/dbraw/zinc/84/01/34/732840134.db2.gz FVKKEYPLSYVKHJ-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cnc21 ZINC000865438287 733200731 /nfs/dbraw/zinc/20/07/31/733200731.db2.gz RPNPGDFVPAKBGO-OAHLLOKOSA-N 1 3 355.511 3.032 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cnc21 ZINC000865438287 733200735 /nfs/dbraw/zinc/20/07/35/733200735.db2.gz RPNPGDFVPAKBGO-OAHLLOKOSA-N 1 3 355.511 3.032 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109982 736060313 /nfs/dbraw/zinc/06/03/13/736060313.db2.gz CTZXCDLUDYOIPF-UHFFFAOYSA-N 1 3 366.575 3.084 20 0 FGADHO Cc1ccc(CN(C)C)cc1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876774032 736142518 /nfs/dbraw/zinc/14/25/18/736142518.db2.gz JBGRSPPWJKRAHS-UHFFFAOYSA-N 1 3 358.511 3.232 20 0 FGADHO CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)N1CCc2sccc2C1 ZINC000892854625 740050920 /nfs/dbraw/zinc/05/09/20/740050920.db2.gz VGESYOBOBVNFMS-FBVQUNGASA-N 1 3 361.555 3.016 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000895479954 742417088 /nfs/dbraw/zinc/41/70/88/742417088.db2.gz YKXNRHPCHQBJSU-KURKYZTESA-N 1 3 351.535 3.001 20 0 FGADHO [NH3+]CCCC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1F ZINC000902368184 743737683 /nfs/dbraw/zinc/73/76/83/743737683.db2.gz FBTVGOQJXZYIQU-MAUKXSAKSA-N 1 3 354.441 3.410 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790659 743884488 /nfs/dbraw/zinc/88/44/88/743884488.db2.gz ULFLIFSJDLHKGG-RDJZCZTQSA-N 1 3 363.571 3.497 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394729 758913565 /nfs/dbraw/zinc/91/35/65/758913565.db2.gz SERXVTCKJTVSEF-VXNCWWDNSA-N 1 3 351.560 3.226 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394729 758913568 /nfs/dbraw/zinc/91/35/68/758913568.db2.gz SERXVTCKJTVSEF-VXNCWWDNSA-N 1 3 351.560 3.226 20 0 FGADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H](CC[NH3+])C1 ZINC000923488335 759129506 /nfs/dbraw/zinc/12/95/06/759129506.db2.gz RZYWAAGPKFLYHP-NEPJUHHUSA-N 1 3 354.376 3.487 20 0 FGADHO C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1)N1CCN(C)CC1 ZINC000924963651 759423267 /nfs/dbraw/zinc/42/32/67/759423267.db2.gz GNQLBVNUQQBQID-OXJNMPFZSA-N 1 3 358.917 3.050 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925653460 759517403 /nfs/dbraw/zinc/51/74/03/759517403.db2.gz LSTTUJOATDVLOY-DLBZAZTESA-N 1 3 369.351 3.184 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879515 759836992 /nfs/dbraw/zinc/83/69/92/759836992.db2.gz LJLXLLZRMRGDGK-NIMBFUQJSA-N 1 3 363.933 3.182 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879515 759836995 /nfs/dbraw/zinc/83/69/95/759836995.db2.gz LJLXLLZRMRGDGK-NIMBFUQJSA-N 1 3 363.933 3.182 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469801 /nfs/dbraw/zinc/46/98/01/760469801.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469812 /nfs/dbraw/zinc/46/98/12/760469812.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641134 /nfs/dbraw/zinc/64/11/34/760641134.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 1 3 354.416 3.196 20 0 FGADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641141 /nfs/dbraw/zinc/64/11/41/760641141.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 1 3 354.416 3.196 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCCN(C/C=C\Cl)CC2)CC[N@@H+]1C ZINC000998006643 765091171 /nfs/dbraw/zinc/09/11/71/765091171.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 1 3 355.954 3.172 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCCN(C/C=C\Cl)CC2)CC[N@H+]1C ZINC000998006643 765091182 /nfs/dbraw/zinc/09/11/82/765091182.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 1 3 355.954 3.172 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630304 210117176 /nfs/dbraw/zinc/11/71/76/210117176.db2.gz JFDOLJWSLMVYCJ-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@H](c4cncn4C)C3)CC2)C1 ZINC000328630304 210117180 /nfs/dbraw/zinc/11/71/80/210117180.db2.gz JFDOLJWSLMVYCJ-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO CCCN(Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000088183151 494211175 /nfs/dbraw/zinc/21/11/75/494211175.db2.gz VKWWORPQXYYCQH-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO CCC[N@H+](Cc1ccc(I)cc1)C1CCNCC1 ZINC000088183151 494211178 /nfs/dbraw/zinc/21/11/78/494211178.db2.gz VKWWORPQXYYCQH-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO CCC[N@@H+](Cc1ccc(I)cc1)C1CCNCC1 ZINC000088183151 494211181 /nfs/dbraw/zinc/21/11/81/494211181.db2.gz VKWWORPQXYYCQH-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585311 /nfs/dbraw/zinc/58/53/11/505585311.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 1 3 352.526 3.474 20 0 FGADHO CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585313 /nfs/dbraw/zinc/58/53/13/505585313.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 1 3 352.526 3.474 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000573676989 505595030 /nfs/dbraw/zinc/59/50/30/505595030.db2.gz XIMOWUSVIJNPJR-QGZVFWFLSA-N 1 3 358.448 3.461 20 0 FGADHO CCSCC[C@@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568106664 505618001 /nfs/dbraw/zinc/61/80/01/505618001.db2.gz UOXGHRYBOBTNNP-QGZVFWFLSA-N 1 3 369.619 3.173 20 0 FGADHO CCCCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000573884115 505643224 /nfs/dbraw/zinc/64/32/24/505643224.db2.gz ZRMRQLZRGFNVBG-UHFFFAOYSA-N 1 3 359.558 3.325 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026804 505646989 /nfs/dbraw/zinc/64/69/89/505646989.db2.gz YZDCJRVWZKHASB-CYBMUJFWSA-N 1 3 364.481 3.010 20 0 FGADHO COc1ccccc1-n1nccc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000571126626 505658610 /nfs/dbraw/zinc/65/86/10/505658610.db2.gz KGHOTEIBPNIWAV-SFHVURJKSA-N 1 3 354.498 3.045 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000574029520 505676704 /nfs/dbraw/zinc/67/67/04/505676704.db2.gz WXAROPDHKIYXBB-NRFANRHFSA-N 1 3 351.494 3.032 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000047978712 493769524 /nfs/dbraw/zinc/76/95/24/493769524.db2.gz SHGPYYQLPFFLDE-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000047978712 493769528 /nfs/dbraw/zinc/76/95/28/493769528.db2.gz SHGPYYQLPFFLDE-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO CC[NH+]1CCC(N(C(=O)c2cccc(CN3CCCC3)c2)C2CC2)CC1 ZINC000058261087 493839100 /nfs/dbraw/zinc/83/91/00/493839100.db2.gz SAQLJTDEMFJQBY-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000069017163 493907609 /nfs/dbraw/zinc/90/76/09/493907609.db2.gz ZKVFVRNMCWWPDW-RTBURBONSA-N 1 3 368.525 3.194 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)CC1CCCC1 ZINC000060211364 493918266 /nfs/dbraw/zinc/91/82/66/493918266.db2.gz CVBDRSKZWLDSEP-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)CC1CCCC1 ZINC000060211364 493918270 /nfs/dbraw/zinc/91/82/70/493918270.db2.gz CVBDRSKZWLDSEP-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)CC1 ZINC000069204366 493936191 /nfs/dbraw/zinc/93/61/91/493936191.db2.gz XNWFCQIEXPOFMH-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000051236032 493956022 /nfs/dbraw/zinc/95/60/22/493956022.db2.gz ZEONDEAXQUIADI-UHFFFAOYSA-N 1 3 350.894 3.020 20 0 FGADHO CSC1(CNCc2nc3ccc(Cl)cc3n2C)CC[NH+](C)CC1 ZINC000577250382 505694405 /nfs/dbraw/zinc/69/44/05/505694405.db2.gz WVBHKDCMIDSOQL-UHFFFAOYSA-N 1 3 352.935 3.144 20 0 FGADHO CC(=O)Nc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000069831430 494019663 /nfs/dbraw/zinc/01/96/63/494019663.db2.gz GTJAFWGZSDYXRB-UHFFFAOYSA-N 1 3 367.493 3.409 20 0 FGADHO Brc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199993 494033568 /nfs/dbraw/zinc/03/35/68/494033568.db2.gz SAERDPAWJLJAFQ-KRWDZBQOSA-N 1 3 353.304 3.292 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000072020129 494116862 /nfs/dbraw/zinc/11/68/62/494116862.db2.gz USNZTJSWECKWAB-HDICACEKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000072020129 494116866 /nfs/dbraw/zinc/11/68/66/494116866.db2.gz USNZTJSWECKWAB-HDICACEKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000065477625 494202799 /nfs/dbraw/zinc/20/27/99/494202799.db2.gz CASLFCHPHLGOQI-IBGZPJMESA-N 1 3 372.557 3.202 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000088250402 494220794 /nfs/dbraw/zinc/22/07/94/494220794.db2.gz OWJYKLLRUIDATO-FQEVSTJZSA-N 1 3 369.509 3.082 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000088250402 494220796 /nfs/dbraw/zinc/22/07/96/494220796.db2.gz OWJYKLLRUIDATO-FQEVSTJZSA-N 1 3 369.509 3.082 20 0 FGADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC000065868468 494249619 /nfs/dbraw/zinc/24/96/19/494249619.db2.gz YPSRWOBJNVCGDE-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000089269118 494282852 /nfs/dbraw/zinc/28/28/52/494282852.db2.gz HRKLJEXGKYRMRO-OAHLLOKOSA-N 1 3 355.473 3.307 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000089269118 494282855 /nfs/dbraw/zinc/28/28/55/494282855.db2.gz HRKLJEXGKYRMRO-OAHLLOKOSA-N 1 3 355.473 3.307 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000078625614 494333310 /nfs/dbraw/zinc/33/33/10/494333310.db2.gz IZZBOAMMAOSGLI-LVCYWYKZSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000078714979 494347629 /nfs/dbraw/zinc/34/76/29/494347629.db2.gz VPMRFZXLCCSDAP-INIZCTEOSA-N 1 3 357.498 3.345 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000078714979 494347635 /nfs/dbraw/zinc/34/76/35/494347635.db2.gz VPMRFZXLCCSDAP-INIZCTEOSA-N 1 3 357.498 3.345 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079007716 494391662 /nfs/dbraw/zinc/39/16/62/494391662.db2.gz QQEDWQJRRLQCKQ-NRFANRHFSA-N 1 3 370.541 3.093 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000073666309 494409882 /nfs/dbraw/zinc/40/98/82/494409882.db2.gz XFCCODAAOCTAJG-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000079168450 494413032 /nfs/dbraw/zinc/41/30/32/494413032.db2.gz OEPXTNFGICZIII-IBGZPJMESA-N 1 3 372.557 3.133 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000090038541 494431442 /nfs/dbraw/zinc/43/14/42/494431442.db2.gz YEMIVOYQVBVQTF-IBGZPJMESA-N 1 3 369.534 3.305 20 0 FGADHO C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221123 494456508 /nfs/dbraw/zinc/45/65/08/494456508.db2.gz GFWONFOFOREZAQ-CPJLOUKISA-N 1 3 360.523 3.215 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000045788977 494461959 /nfs/dbraw/zinc/46/19/59/494461959.db2.gz BPLPMGQQPCFDSC-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000045788977 494461963 /nfs/dbraw/zinc/46/19/63/494461963.db2.gz BPLPMGQQPCFDSC-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(SC)cc1OC ZINC000574204388 505719651 /nfs/dbraw/zinc/71/96/51/505719651.db2.gz DJKJZUGUPUCUKR-HNNXBMFYSA-N 1 3 350.528 3.247 20 0 FGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523954 494478565 /nfs/dbraw/zinc/47/85/65/494478565.db2.gz UABMWBCCMGLZKI-YHYVQYDKSA-N 1 3 368.525 3.291 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000079569724 494484216 /nfs/dbraw/zinc/48/42/16/494484216.db2.gz FGFISHIUOCQUOZ-HXUWFJFHSA-N 1 3 360.546 3.051 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000079569724 494484218 /nfs/dbraw/zinc/48/42/18/494484218.db2.gz FGFISHIUOCQUOZ-HXUWFJFHSA-N 1 3 360.546 3.051 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)C4(CCC4)C3)CC2)CC1 ZINC000574217808 505723463 /nfs/dbraw/zinc/72/34/63/505723463.db2.gz WCNINRUXDGRWOZ-SFHVURJKSA-N 1 3 361.574 3.221 20 0 FGADHO CC1CC[NH+](CCCNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000074187102 494494495 /nfs/dbraw/zinc/49/44/95/494494495.db2.gz MVEWCXWJIAFCNX-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079627268 494496305 /nfs/dbraw/zinc/49/63/05/494496305.db2.gz PVIGIHUISRBZPE-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000079733754 494518367 /nfs/dbraw/zinc/51/83/67/494518367.db2.gz CKFSJRNJZRFULM-CTNGQTDRSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000079733754 494518370 /nfs/dbraw/zinc/51/83/70/494518370.db2.gz CKFSJRNJZRFULM-CTNGQTDRSA-N 1 3 374.573 3.113 20 0 FGADHO Cc1cccc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091060244 494521813 /nfs/dbraw/zinc/52/18/13/494521813.db2.gz DLUJCYRLRUJWDH-OAQYLSRUSA-N 1 3 365.521 3.291 20 0 FGADHO Cc1cccc(C)c1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091060244 494521817 /nfs/dbraw/zinc/52/18/17/494521817.db2.gz DLUJCYRLRUJWDH-OAQYLSRUSA-N 1 3 365.521 3.291 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1CC ZINC000074496992 494547759 /nfs/dbraw/zinc/54/77/59/494547759.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1CC ZINC000074496992 494547763 /nfs/dbraw/zinc/54/77/63/494547763.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO O=C(NCCN1CCCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764075 494559508 /nfs/dbraw/zinc/55/95/08/494559508.db2.gz GRJKCHNEXDJTGN-UHFFFAOYSA-N 1 3 358.530 3.322 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369044 494587322 /nfs/dbraw/zinc/58/73/22/494587322.db2.gz MOWYDJDRMJAVGU-DZGCQCFKSA-N 1 3 352.910 3.234 20 0 FGADHO Cc1cccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000115675730 494593139 /nfs/dbraw/zinc/59/31/39/494593139.db2.gz VFTWUSNVUJGTMH-SFHVURJKSA-N 1 3 372.557 3.222 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600949 /nfs/dbraw/zinc/60/09/49/494600949.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 1 3 360.546 3.069 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600956 /nfs/dbraw/zinc/60/09/56/494600956.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 1 3 360.546 3.069 20 0 FGADHO Cc1nc(COc2ccc(CN3CCC(CC[NH+](C)C)CC3)cc2)no1 ZINC000092381306 494610639 /nfs/dbraw/zinc/61/06/39/494610639.db2.gz WETSKIJNHKMUSM-UHFFFAOYSA-N 1 3 358.486 3.121 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131661399 494690257 /nfs/dbraw/zinc/69/02/57/494690257.db2.gz XGFBWMZDQWNUAP-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCC1 ZINC000092821252 494763423 /nfs/dbraw/zinc/76/34/23/494763423.db2.gz RMAYYICUKQDCBF-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO C[C@@H]1CN(C2CC[NH+](CC(C)(C)CN(C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782619 /nfs/dbraw/zinc/78/26/19/494782619.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 1 3 373.585 3.330 20 0 FGADHO C[C@@H]1CN(C2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782626 /nfs/dbraw/zinc/78/26/26/494782626.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 1 3 373.585 3.330 20 0 FGADHO C[C@@H]1CN(C2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782635 /nfs/dbraw/zinc/78/26/35/494782635.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 1 3 373.585 3.330 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000116561147 494816115 /nfs/dbraw/zinc/81/61/15/494816115.db2.gz IGVRVYJYGWEAKE-GOSISDBHSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745717 494831471 /nfs/dbraw/zinc/83/14/71/494831471.db2.gz PZEJEZRHMWMSJG-KRWDZBQOSA-N 1 3 367.493 3.014 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000121673580 494835398 /nfs/dbraw/zinc/83/53/98/494835398.db2.gz VHWITVMWAJJHDD-BURNTYAHSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000121673580 494835404 /nfs/dbraw/zinc/83/54/04/494835404.db2.gz VHWITVMWAJJHDD-BURNTYAHSA-N 1 3 358.526 3.243 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223250 494912935 /nfs/dbraw/zinc/91/29/35/494912935.db2.gz RUCYRSGFSGLSBM-LJQANCHMSA-N 1 3 355.526 3.229 20 0 FGADHO CN(C)[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccco1 ZINC000132719161 494914570 /nfs/dbraw/zinc/91/45/70/494914570.db2.gz MBWCAXCXVWIXLJ-OAQYLSRUSA-N 1 3 370.541 3.203 20 0 FGADHO CC(C)[C@@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950573 494947146 /nfs/dbraw/zinc/94/71/46/494947146.db2.gz OPPXJNJDTIPCMB-GDBMZVCRSA-N 1 3 352.910 3.162 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CN1C1CC1 ZINC000127460146 494947879 /nfs/dbraw/zinc/94/78/79/494947879.db2.gz DDURJXHYUMWRIL-XLIONFOSSA-N 1 3 370.541 3.097 20 0 FGADHO c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000122407421 494969918 /nfs/dbraw/zinc/96/99/18/494969918.db2.gz MKWBQBGDCUMVBE-HTAPYJJXSA-N 1 3 370.537 3.480 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409168 505753324 /nfs/dbraw/zinc/75/33/24/505753324.db2.gz BNRFVKCPLRSSQO-QUCCMNQESA-N 1 3 374.916 3.448 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000128026477 495033274 /nfs/dbraw/zinc/03/32/74/495033274.db2.gz RYINXQQEIJFZGO-HLIPFELVSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000128026477 495033276 /nfs/dbraw/zinc/03/32/76/495033276.db2.gz RYINXQQEIJFZGO-HLIPFELVSA-N 1 3 352.494 3.320 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@]4(CC[C@H](C)C4)C3)CC2)CC1 ZINC000571535544 505757390 /nfs/dbraw/zinc/75/73/90/505757390.db2.gz RDOYWWMGTBUCNE-AVRDEDQJSA-N 1 3 361.574 3.221 20 0 FGADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000123079054 495077022 /nfs/dbraw/zinc/07/70/22/495077022.db2.gz MUOAEYQDOFOALX-QGZVFWFLSA-N 1 3 362.481 3.109 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000111801111 495112952 /nfs/dbraw/zinc/11/29/52/495112952.db2.gz RRGJICCCLSBMLC-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000111801111 495112957 /nfs/dbraw/zinc/11/29/57/495112957.db2.gz RRGJICCCLSBMLC-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO CN1CCCN(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000128549598 495114641 /nfs/dbraw/zinc/11/46/41/495114641.db2.gz FUPBVBCHVPSHTE-UHFFFAOYSA-N 1 3 365.565 3.458 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425232 495164470 /nfs/dbraw/zinc/16/44/70/495164470.db2.gz BQCJEXPOERXPOK-KBPBESRZSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425232 495164473 /nfs/dbraw/zinc/16/44/73/495164473.db2.gz BQCJEXPOERXPOK-KBPBESRZSA-N 1 3 369.431 3.496 20 0 FGADHO CC[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000103433085 495231261 /nfs/dbraw/zinc/23/12/61/495231261.db2.gz RZMFAGYCWIEBTP-GOSISDBHSA-N 1 3 357.542 3.245 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000112742434 495233814 /nfs/dbraw/zinc/23/38/14/495233814.db2.gz VWWXBISESKHBNV-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000112742434 495233821 /nfs/dbraw/zinc/23/38/21/495233821.db2.gz VWWXBISESKHBNV-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CCN1CCC(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000113580897 495316869 /nfs/dbraw/zinc/31/68/69/495316869.db2.gz MNVNLFVIDVKQIK-SFHVURJKSA-N 1 3 372.557 3.434 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000105207654 495345529 /nfs/dbraw/zinc/34/55/29/495345529.db2.gz XUMWZJWITGVEQF-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000105207654 495345533 /nfs/dbraw/zinc/34/55/33/495345533.db2.gz XUMWZJWITGVEQF-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000120571364 495408477 /nfs/dbraw/zinc/40/84/77/495408477.db2.gz AVMVGPUNFZFDMW-CVEARBPZSA-N 1 3 358.530 3.259 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335079 495427910 /nfs/dbraw/zinc/42/79/10/495427910.db2.gz AXXOWFCCWDLROM-LEWJYISDSA-N 1 3 370.585 3.112 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114827514 495432183 /nfs/dbraw/zinc/43/21/83/495432183.db2.gz ZLBBPLFWWAJUPL-NRFANRHFSA-N 1 3 372.557 3.215 20 0 FGADHO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000125402799 495439397 /nfs/dbraw/zinc/43/93/97/495439397.db2.gz KIUMDGQITBSNNN-KKSFZXQISA-N 1 3 358.482 3.020 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000114950783 495445521 /nfs/dbraw/zinc/44/55/21/495445521.db2.gz BKEJBYDJAPPAAG-UHFFFAOYSA-N 1 3 374.573 3.333 20 0 FGADHO CCC(CC)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000130910715 495464797 /nfs/dbraw/zinc/46/47/97/495464797.db2.gz KBVYWXBMIWDJAV-UHFFFAOYSA-N 1 3 359.558 3.383 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000154301478 495573761 /nfs/dbraw/zinc/57/37/61/495573761.db2.gz SWMGZZQOJDLXJH-KRWDZBQOSA-N 1 3 355.473 3.356 20 0 FGADHO CCc1ccccc1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000580582563 505791091 /nfs/dbraw/zinc/79/10/91/505791091.db2.gz QWAMWXNIONWIFP-UHFFFAOYSA-N 1 3 357.542 3.062 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154396950 495604968 /nfs/dbraw/zinc/60/49/68/495604968.db2.gz FWSXQYVQZTXYQU-MRXNPFEDSA-N 1 3 373.570 3.192 20 0 FGADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000571694785 505792138 /nfs/dbraw/zinc/79/21/38/505792138.db2.gz NUSBOKRYIWMVSE-CDNPAEQRSA-N 1 3 368.521 3.444 20 0 FGADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1SC ZINC000154411811 495607844 /nfs/dbraw/zinc/60/78/44/495607844.db2.gz FLPDIDCVSWVTMP-INIZCTEOSA-N 1 3 351.560 3.095 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176403906 495639051 /nfs/dbraw/zinc/63/90/51/495639051.db2.gz FVOIXTGHTXYXJE-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176403906 495639056 /nfs/dbraw/zinc/63/90/56/495639056.db2.gz FVOIXTGHTXYXJE-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000185680662 495677436 /nfs/dbraw/zinc/67/74/36/495677436.db2.gz BVOAFKKAHKCWBR-SJORKVTESA-N 1 3 360.498 3.427 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173752387 495677532 /nfs/dbraw/zinc/67/75/32/495677532.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173752387 495677535 /nfs/dbraw/zinc/67/75/35/495677535.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 1 3 360.546 3.151 20 0 FGADHO CN(c1ccccc1CNC[C@](C)(O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150977537 495700040 /nfs/dbraw/zinc/70/00/40/495700040.db2.gz ZJOVISUTERHQIE-NRFANRHFSA-N 1 3 373.566 3.276 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150986190 495703738 /nfs/dbraw/zinc/70/37/38/495703738.db2.gz IUVIDUAQNWTJQB-CQSZACIVSA-N 1 3 352.592 3.426 20 0 FGADHO C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751441 495709921 /nfs/dbraw/zinc/70/99/21/495709921.db2.gz PWGWUPIOVBYTFS-AOIWGVFYSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751441 495709925 /nfs/dbraw/zinc/70/99/25/495709925.db2.gz PWGWUPIOVBYTFS-AOIWGVFYSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000185751441 495709930 /nfs/dbraw/zinc/70/99/30/495709930.db2.gz PWGWUPIOVBYTFS-AOIWGVFYSA-N 1 3 371.525 3.150 20 0 FGADHO CCC(CC)(CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151052335 495724195 /nfs/dbraw/zinc/72/41/95/495724195.db2.gz JVALSOXSACXJFD-UHFFFAOYSA-N 1 3 361.574 3.495 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000154971831 495790684 /nfs/dbraw/zinc/79/06/84/495790684.db2.gz CVCYKXMUJSBYHB-UHFFFAOYSA-N 1 3 360.546 3.069 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118093 495826539 /nfs/dbraw/zinc/82/65/39/495826539.db2.gz PSCVQANIELDCDU-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO COc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000151579483 495884425 /nfs/dbraw/zinc/88/44/25/495884425.db2.gz MXPQVENKJPTCBU-INIZCTEOSA-N 1 3 358.482 3.495 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000580670057 505810346 /nfs/dbraw/zinc/81/03/46/505810346.db2.gz QJDZFQGPJDJYQU-RXVVDRJESA-N 1 3 357.542 3.468 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000580670057 505810348 /nfs/dbraw/zinc/81/03/48/505810348.db2.gz QJDZFQGPJDJYQU-RXVVDRJESA-N 1 3 357.542 3.468 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(C[NH+](C)C)cc1 ZINC000183308596 495925575 /nfs/dbraw/zinc/92/55/75/495925575.db2.gz CEBDNLONGDSZLJ-HSZRJFAPSA-N 1 3 367.537 3.220 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571266 495999285 /nfs/dbraw/zinc/99/92/85/495999285.db2.gz ZKWBRZZSPDYBHR-CRAIPNDOSA-N 1 3 351.922 3.169 20 0 FGADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000155624356 496015697 /nfs/dbraw/zinc/01/56/97/496015697.db2.gz SIDROLQHOWLYAP-JKSUJKDBSA-N 1 3 353.938 3.415 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171764660 496027111 /nfs/dbraw/zinc/02/71/11/496027111.db2.gz ZXJGISLYTVLDJS-QGZVFWFLSA-N 1 3 359.489 3.449 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689514 496037134 /nfs/dbraw/zinc/03/71/34/496037134.db2.gz GYKGOAWKNQBMRX-MAUKXSAKSA-N 1 3 353.576 3.283 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689514 496037138 /nfs/dbraw/zinc/03/71/38/496037138.db2.gz GYKGOAWKNQBMRX-MAUKXSAKSA-N 1 3 353.576 3.283 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000177489760 496083327 /nfs/dbraw/zinc/08/33/27/496083327.db2.gz CGOUIKPAVVFJNS-PMACEKPBSA-N 1 3 362.562 3.265 20 0 FGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974458 505822715 /nfs/dbraw/zinc/82/27/15/505822715.db2.gz ZCKZSJHKSTXREB-NQIIRXRSSA-N 1 3 368.525 3.413 20 0 FGADHO CN(C)CCOc1cc(C[NH2+]CC2CCC(C(F)(F)F)CC2)ccn1 ZINC000183757605 496105641 /nfs/dbraw/zinc/10/56/41/496105641.db2.gz QMUZDHBVSTUCSQ-UHFFFAOYSA-N 1 3 359.436 3.480 20 0 FGADHO CC[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000180772017 496140126 /nfs/dbraw/zinc/14/01/26/496140126.db2.gz QEGXQUTVRZGZPY-RTWAWAEBSA-N 1 3 369.509 3.155 20 0 FGADHO CCn1cc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000156081053 496152416 /nfs/dbraw/zinc/15/24/16/496152416.db2.gz PEIJWZFYCQKWKM-IBGZPJMESA-N 1 3 355.530 3.156 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860535 496251356 /nfs/dbraw/zinc/25/13/56/496251356.db2.gz KRVACCFQBPHQTD-MJGOQNOKSA-N 1 3 362.514 3.075 20 0 FGADHO Cc1nc(C)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)s1 ZINC000177983160 496275493 /nfs/dbraw/zinc/27/54/93/496275493.db2.gz INUKSKJOOPITNV-OAHLLOKOSA-N 1 3 350.576 3.361 20 0 FGADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036201 496298093 /nfs/dbraw/zinc/29/80/93/496298093.db2.gz FWNPXHASBVRQIM-OKZBNKHCSA-N 1 3 362.514 3.215 20 0 FGADHO COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1F ZINC000153080725 496346861 /nfs/dbraw/zinc/34/68/61/496346861.db2.gz NIAYNGAEPQZUPS-KRWDZBQOSA-N 1 3 371.500 3.433 20 0 FGADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178306474 496406464 /nfs/dbraw/zinc/40/64/64/496406464.db2.gz VDBWISHPIDCFGH-QGZVFWFLSA-N 1 3 366.505 3.429 20 0 FGADHO C[N@@H+]1CCC[C@@H]1CCNC(C)(C)COc1ncccc1Br ZINC000181518487 496429835 /nfs/dbraw/zinc/42/98/35/496429835.db2.gz OQLOBCVGXFALBK-CYBMUJFWSA-N 1 3 356.308 3.075 20 0 FGADHO C[N@H+]1CCC[C@@H]1CCNC(C)(C)COc1ncccc1Br ZINC000181518487 496429838 /nfs/dbraw/zinc/42/98/38/496429838.db2.gz OQLOBCVGXFALBK-CYBMUJFWSA-N 1 3 356.308 3.075 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178443651 496459136 /nfs/dbraw/zinc/45/91/36/496459136.db2.gz HHICXLQXQOGKNG-OXJNMPFZSA-N 1 3 358.482 3.020 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443651 496459138 /nfs/dbraw/zinc/45/91/38/496459138.db2.gz HHICXLQXQOGKNG-OXJNMPFZSA-N 1 3 358.482 3.020 20 0 FGADHO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000184654812 496481205 /nfs/dbraw/zinc/48/12/05/496481205.db2.gz SUNVPILBESMJIK-ROUUACIJSA-N 1 3 357.542 3.324 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3NCCc4ccccc43)ccc21 ZINC000569083643 505848370 /nfs/dbraw/zinc/84/83/70/505848370.db2.gz HBVXJKWCMKQYTO-SFTDATJTSA-N 1 3 364.493 3.244 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497942 /nfs/dbraw/zinc/49/79/42/496497942.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 1 3 356.436 3.097 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497945 /nfs/dbraw/zinc/49/79/45/496497945.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 1 3 356.436 3.097 20 0 FGADHO CCCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163347045 496502488 /nfs/dbraw/zinc/50/24/88/496502488.db2.gz QFTFSKOZRYQWSD-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175730040 496518529 /nfs/dbraw/zinc/51/85/29/496518529.db2.gz ATHQMKGHXVMGSW-RTWAWAEBSA-N 1 3 372.557 3.131 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000175770722 496538448 /nfs/dbraw/zinc/53/84/48/496538448.db2.gz KAVBJNBAUZAEBT-FGTMMUONSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163815998 496560854 /nfs/dbraw/zinc/56/08/54/496560854.db2.gz LYOYPMLDEKPKHI-APWZRJJASA-N 1 3 372.557 3.115 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929487 496589049 /nfs/dbraw/zinc/58/90/49/496589049.db2.gz VTGZSGKJIBKXQT-HOTGVXAUSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929487 496589054 /nfs/dbraw/zinc/58/90/54/496589054.db2.gz VTGZSGKJIBKXQT-HOTGVXAUSA-N 1 3 370.534 3.392 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904534 496638986 /nfs/dbraw/zinc/63/89/86/496638986.db2.gz LSMXVTHATLYIHQ-MAUKXSAKSA-N 1 3 351.560 3.273 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(Br)c1 ZINC000173391480 496672743 /nfs/dbraw/zinc/67/27/43/496672743.db2.gz GMPYKDNIURNOAN-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973217 496674273 /nfs/dbraw/zinc/67/42/73/496674273.db2.gz TWMBCZXPNFWNBF-KXBFYZLASA-N 1 3 362.493 3.327 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245230 496680713 /nfs/dbraw/zinc/68/07/13/496680713.db2.gz ZKLOQLPJIZZFLW-XJKSGUPXSA-N 1 3 359.436 3.060 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245434 496680844 /nfs/dbraw/zinc/68/08/44/496680844.db2.gz ZKLOQLPJIZZFLW-CZUORRHYSA-N 1 3 359.436 3.060 20 0 FGADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414937 496686093 /nfs/dbraw/zinc/68/60/93/496686093.db2.gz LRJUBHXYLGRACW-BDTNDASRSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414937 496686097 /nfs/dbraw/zinc/68/60/97/496686097.db2.gz LRJUBHXYLGRACW-BDTNDASRSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414937 496686103 /nfs/dbraw/zinc/68/61/03/496686103.db2.gz LRJUBHXYLGRACW-BDTNDASRSA-N 1 3 369.553 3.388 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166445111 496687090 /nfs/dbraw/zinc/68/70/90/496687090.db2.gz AMLNBXHDIKTKSJ-SLYNCCJLSA-N 1 3 370.541 3.220 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166445111 496687093 /nfs/dbraw/zinc/68/70/93/496687093.db2.gz AMLNBXHDIKTKSJ-SLYNCCJLSA-N 1 3 370.541 3.220 20 0 FGADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000185235158 496713091 /nfs/dbraw/zinc/71/30/91/496713091.db2.gz UYGLZCYLJPXGRS-SFTDATJTSA-N 1 3 360.542 3.325 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1Cl ZINC000168898262 496713179 /nfs/dbraw/zinc/71/31/79/496713179.db2.gz FJDDSBSKBLUWPN-OAHLLOKOSA-N 1 3 374.356 3.034 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000247004116 496748503 /nfs/dbraw/zinc/74/85/03/496748503.db2.gz KAZLIBACXNTVAT-XYMVCZMASA-N 1 3 366.571 3.357 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247019928 496753868 /nfs/dbraw/zinc/75/38/68/496753868.db2.gz MUVQGGHLJLQJAA-IKGGRYGDSA-N 1 3 365.493 3.022 20 0 FGADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c(C)n1 ZINC000268804093 496791111 /nfs/dbraw/zinc/79/11/11/496791111.db2.gz LORASQAIQJWHMK-GOSISDBHSA-N 1 3 367.541 3.346 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)CC[C@H]2C)CC1 ZINC000247491375 496871169 /nfs/dbraw/zinc/87/11/69/496871169.db2.gz KZASVHWUGLJGDY-IEBWSBKVSA-N 1 3 357.542 3.196 20 0 FGADHO CCN(CCCCCC[N@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000264367005 496883055 /nfs/dbraw/zinc/88/30/55/496883055.db2.gz WEBOROLOZCFDMW-UHFFFAOYSA-N 1 3 360.550 3.058 20 0 FGADHO CCN(CCCCCC[N@@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000264367005 496883060 /nfs/dbraw/zinc/88/30/60/496883060.db2.gz WEBOROLOZCFDMW-UHFFFAOYSA-N 1 3 360.550 3.058 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000269258902 496905717 /nfs/dbraw/zinc/90/57/17/496905717.db2.gz LKYRCCYUMRGBNK-JZZBYWGLSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000269258902 496905720 /nfs/dbraw/zinc/90/57/20/496905720.db2.gz LKYRCCYUMRGBNK-JZZBYWGLSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979718 496937284 /nfs/dbraw/zinc/93/72/84/496937284.db2.gz MEJMZKUHMRWOGG-SMMRIJLZSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979718 496937289 /nfs/dbraw/zinc/93/72/89/496937289.db2.gz MEJMZKUHMRWOGG-SMMRIJLZSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979718 496937292 /nfs/dbraw/zinc/93/72/92/496937292.db2.gz MEJMZKUHMRWOGG-SMMRIJLZSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979718 496937297 /nfs/dbraw/zinc/93/72/97/496937297.db2.gz MEJMZKUHMRWOGG-SMMRIJLZSA-N 1 3 366.933 3.195 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C(C)C)CC3)CC2)CC1 ZINC000580961621 505878181 /nfs/dbraw/zinc/87/81/81/505878181.db2.gz XUOBCHKQJVRTRB-UHFFFAOYSA-N 1 3 363.590 3.467 20 0 FGADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248436669 497011422 /nfs/dbraw/zinc/01/14/22/497011422.db2.gz GKMHBVQJGOYVIM-NJDAHSKKSA-N 1 3 360.542 3.183 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCCC2 ZINC000248459068 497019202 /nfs/dbraw/zinc/01/92/02/497019202.db2.gz VJMVUIVUKALUPW-NJDAHSKKSA-N 1 3 358.526 3.081 20 0 FGADHO NC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191658 505883455 /nfs/dbraw/zinc/88/34/55/505883455.db2.gz AECMCMUODTWBLJ-FQEVSTJZSA-N 1 3 364.493 3.464 20 0 FGADHO NC(=O)Nc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191658 505883458 /nfs/dbraw/zinc/88/34/58/505883458.db2.gz AECMCMUODTWBLJ-FQEVSTJZSA-N 1 3 364.493 3.464 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1 ZINC000278386022 497096920 /nfs/dbraw/zinc/09/69/20/497096920.db2.gz CPFRLOPMBOLYLB-MSOLQXFVSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278386022 497096926 /nfs/dbraw/zinc/09/69/26/497096926.db2.gz CPFRLOPMBOLYLB-MSOLQXFVSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278386022 497096930 /nfs/dbraw/zinc/09/69/30/497096930.db2.gz CPFRLOPMBOLYLB-MSOLQXFVSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1 ZINC000278386028 497097068 /nfs/dbraw/zinc/09/70/68/497097068.db2.gz CPFRLOPMBOLYLB-QZTJIDSGSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278386028 497097072 /nfs/dbraw/zinc/09/70/72/497097072.db2.gz CPFRLOPMBOLYLB-QZTJIDSGSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278386028 497097078 /nfs/dbraw/zinc/09/70/78/497097078.db2.gz CPFRLOPMBOLYLB-QZTJIDSGSA-N 1 3 356.514 3.332 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccsc3Cl)CC2)CC1 ZINC000189402120 497106486 /nfs/dbraw/zinc/10/64/86/497106486.db2.gz VXURJOQXJSKAON-UHFFFAOYSA-N 1 3 356.923 3.082 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1Cl ZINC000189409632 497109735 /nfs/dbraw/zinc/10/97/35/497109735.db2.gz ORCPVCVFGALMFU-ZDUSSCGKSA-N 1 3 358.939 3.281 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1Cl ZINC000189409632 497109740 /nfs/dbraw/zinc/10/97/40/497109740.db2.gz ORCPVCVFGALMFU-ZDUSSCGKSA-N 1 3 358.939 3.281 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248924822 497136531 /nfs/dbraw/zinc/13/65/31/497136531.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248924822 497136535 /nfs/dbraw/zinc/13/65/35/497136535.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 1 3 372.557 3.021 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](N)c1ccccc1 ZINC000236876317 497161636 /nfs/dbraw/zinc/16/16/36/497161636.db2.gz OTGVNBRVJQUIBF-SFHVURJKSA-N 1 3 355.482 3.436 20 0 FGADHO COc1ccc([C@H](CCO)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627531 497165082 /nfs/dbraw/zinc/16/50/82/497165082.db2.gz LNDQFBYLAQYJQW-JTSKRJEESA-N 1 3 372.509 3.410 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000237069130 497187601 /nfs/dbraw/zinc/18/76/01/497187601.db2.gz VZXOAEQAGCAXGH-UHFFFAOYSA-N 1 3 351.494 3.031 20 0 FGADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](C)c1ccccc1 ZINC000249350669 497193376 /nfs/dbraw/zinc/19/33/76/497193376.db2.gz PMVHAKQWOABOCL-LVCYWYKZSA-N 1 3 353.510 3.187 20 0 FGADHO FC(F)C(F)(F)COCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000189743478 497229598 /nfs/dbraw/zinc/22/95/98/497229598.db2.gz SLJHGMXDOCPOHC-UHFFFAOYSA-N 1 3 354.432 3.491 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237519795 497250322 /nfs/dbraw/zinc/25/03/22/497250322.db2.gz NTVPWOREDZDXDW-FYHVPLJZSA-N 1 3 355.526 3.249 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Br ZINC000192931569 497251139 /nfs/dbraw/zinc/25/11/39/497251139.db2.gz AQQJOVHFKJTNAV-FFHGMXDLSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Br ZINC000192931569 497251142 /nfs/dbraw/zinc/25/11/42/497251142.db2.gz AQQJOVHFKJTNAV-FFHGMXDLSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237600080 497261569 /nfs/dbraw/zinc/26/15/69/497261569.db2.gz VUBOBVSHXPLKPJ-AWEZNQCLSA-N 1 3 367.921 3.245 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](N)c1ccccc1 ZINC000237604869 497261896 /nfs/dbraw/zinc/26/18/96/497261896.db2.gz GSTOMNWKNIYANP-OXQOHEQNSA-N 1 3 371.550 3.412 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](C)C1 ZINC000245424959 497397777 /nfs/dbraw/zinc/39/77/77/497397777.db2.gz SQUPBNDXJDYLNM-ZWKOTPCHSA-N 1 3 364.578 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612342 497474128 /nfs/dbraw/zinc/47/41/28/497474128.db2.gz BXPHPYJJPGRYAX-ROUUACIJSA-N 1 3 358.530 3.040 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245619953 497476396 /nfs/dbraw/zinc/47/63/96/497476396.db2.gz NPUGBZSMXLSZNG-BHDDXSALSA-N 1 3 370.537 3.081 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000245628600 497480200 /nfs/dbraw/zinc/48/02/00/497480200.db2.gz RLWMDTLXLGEELY-BHDDXSALSA-N 1 3 370.537 3.081 20 0 FGADHO FC(F)(F)c1ccc(CN2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003774 497491601 /nfs/dbraw/zinc/49/16/01/497491601.db2.gz UJZWAEHOTHYWMP-QGZVFWFLSA-N 1 3 355.448 3.213 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245665337 497493821 /nfs/dbraw/zinc/49/38/21/497493821.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245665337 497493830 /nfs/dbraw/zinc/49/38/30/497493830.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 1 3 372.557 3.386 20 0 FGADHO Fc1cccc(Oc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082874 497506063 /nfs/dbraw/zinc/50/60/63/497506063.db2.gz FOKZHMVXXCHOGN-LJQANCHMSA-N 1 3 355.457 3.098 20 0 FGADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740190 497523160 /nfs/dbraw/zinc/52/31/60/497523160.db2.gz RLFAQAZIBYGAQC-ZIBCJSCZSA-N 1 3 355.526 3.173 20 0 FGADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349581 505914273 /nfs/dbraw/zinc/91/42/73/505914273.db2.gz PKAPVBSJMFLQAQ-ZKXLYKBJSA-N 1 3 360.502 3.068 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209563 497565403 /nfs/dbraw/zinc/56/54/03/497565403.db2.gz PXQPGIXQFQDDOF-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209563 497565409 /nfs/dbraw/zinc/56/54/09/497565409.db2.gz PXQPGIXQFQDDOF-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272209563 497565416 /nfs/dbraw/zinc/56/54/16/497565416.db2.gz PXQPGIXQFQDDOF-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209564 497565572 /nfs/dbraw/zinc/56/55/72/497565572.db2.gz PXQPGIXQFQDDOF-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209564 497565579 /nfs/dbraw/zinc/56/55/79/497565579.db2.gz PXQPGIXQFQDDOF-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272209564 497565585 /nfs/dbraw/zinc/56/55/85/497565585.db2.gz PXQPGIXQFQDDOF-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000279860032 497567764 /nfs/dbraw/zinc/56/77/64/497567764.db2.gz SMWJTAVAQBOAOX-SSGKUCQKSA-N 1 3 369.553 3.135 20 0 FGADHO CN(c1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000245923964 497572419 /nfs/dbraw/zinc/57/24/19/497572419.db2.gz HJUBYRLHBXQXTD-SIKLNZKXSA-N 1 3 359.558 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000245923964 497572421 /nfs/dbraw/zinc/57/24/21/497572421.db2.gz HJUBYRLHBXQXTD-SIKLNZKXSA-N 1 3 359.558 3.200 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954264 497583202 /nfs/dbraw/zinc/58/32/02/497583202.db2.gz LNVFIKNLDIJZCF-ZCNNSNEGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614810 497584621 /nfs/dbraw/zinc/58/46/21/497584621.db2.gz CLWKECBCNXJQNM-NQIIRXRSSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](N)c1ccccc1 ZINC000262627559 497586485 /nfs/dbraw/zinc/58/64/85/497586485.db2.gz COMNDICWKFMTOP-LAUBAEHRSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000262648872 497590757 /nfs/dbraw/zinc/59/07/57/497590757.db2.gz PSTHZMKRKNKTOS-GMQQQROESA-N 1 3 365.521 3.492 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000262648872 497590759 /nfs/dbraw/zinc/59/07/59/497590759.db2.gz PSTHZMKRKNKTOS-GMQQQROESA-N 1 3 365.521 3.492 20 0 FGADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262685382 497599550 /nfs/dbraw/zinc/59/95/50/497599550.db2.gz XRQNXYHFOUZVRI-NQIIRXRSSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262685382 497599555 /nfs/dbraw/zinc/59/95/55/497599555.db2.gz XRQNXYHFOUZVRI-NQIIRXRSSA-N 1 3 357.542 3.437 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373301 505919707 /nfs/dbraw/zinc/91/97/07/505919707.db2.gz POCOTVZTOHVYQN-HOCLYGCPSA-N 1 3 364.534 3.317 20 0 FGADHO COc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272557243 497662224 /nfs/dbraw/zinc/66/22/24/497662224.db2.gz TZLBUWSBPRRTBG-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557243 497662228 /nfs/dbraw/zinc/66/22/28/497662228.db2.gz TZLBUWSBPRRTBG-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557243 497662231 /nfs/dbraw/zinc/66/22/31/497662231.db2.gz TZLBUWSBPRRTBG-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000194474439 497678576 /nfs/dbraw/zinc/67/85/76/497678576.db2.gz VOZZDAREGZQUGT-OAQYLSRUSA-N 1 3 355.526 3.123 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000246278437 497681376 /nfs/dbraw/zinc/68/13/76/497681376.db2.gz MHZNEGNRDOVNAB-PPQDBTBKSA-N 1 3 355.526 3.076 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC000263052675 497692570 /nfs/dbraw/zinc/69/25/70/497692570.db2.gz USGMWQBXBAMVBX-KDOFPFPSSA-N 1 3 353.894 3.127 20 0 FGADHO C[C@@]1(O)CCCN(Cc2ccccc2C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698207 /nfs/dbraw/zinc/69/82/07/497698207.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@@]1(O)CCCN(Cc2ccccc2C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698211 /nfs/dbraw/zinc/69/82/11/497698211.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@@]1(O)CCC[N@@H+](Cc2ccccc2CN2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698214 /nfs/dbraw/zinc/69/82/14/497698214.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@@]1(O)CCC[N@H+](Cc2ccccc2CN2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698216 /nfs/dbraw/zinc/69/82/16/497698216.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497701012 /nfs/dbraw/zinc/70/10/12/497701012.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497701018 /nfs/dbraw/zinc/70/10/18/497701018.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442749 497736030 /nfs/dbraw/zinc/73/60/30/497736030.db2.gz IACXPCXCHFMIQT-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442749 497736036 /nfs/dbraw/zinc/73/60/36/497736036.db2.gz IACXPCXCHFMIQT-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccccc3)CC2)CC1 ZINC000581259465 505945705 /nfs/dbraw/zinc/94/57/05/505945705.db2.gz KCHNMPDLZVVGBD-SFHVURJKSA-N 1 3 357.542 3.402 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000364453131 497964741 /nfs/dbraw/zinc/96/47/41/497964741.db2.gz AXXKBVPRGKZASM-WIQPIVSASA-N 1 3 368.521 3.352 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)c1ccc2ccccc2c1 ZINC000364453131 497964747 /nfs/dbraw/zinc/96/47/47/497964747.db2.gz AXXKBVPRGKZASM-WIQPIVSASA-N 1 3 368.521 3.352 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000578502957 505956243 /nfs/dbraw/zinc/95/62/43/505956243.db2.gz WXSFYDBQZISGSI-VBKZILBWSA-N 1 3 370.472 3.284 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000578586541 505973948 /nfs/dbraw/zinc/97/39/48/505973948.db2.gz RHGJOSQTTONDJC-UHFFFAOYSA-N 1 3 365.949 3.246 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000572539986 505993200 /nfs/dbraw/zinc/99/32/00/505993200.db2.gz RBJOJMMHTFXHOO-UHFFFAOYSA-N 1 3 363.590 3.467 20 0 FGADHO Cc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c(OCCN(C)C)c1 ZINC000296857517 498225482 /nfs/dbraw/zinc/22/54/82/498225482.db2.gz MKKXXXPCBCZJFJ-UHFFFAOYSA-N 1 3 374.529 3.074 20 0 FGADHO COC(=O)c1csc([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000286212655 498327323 /nfs/dbraw/zinc/32/73/23/498327323.db2.gz SCGWVBSXIWQCDV-CQSZACIVSA-N 1 3 359.495 3.497 20 0 FGADHO C[C@@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931872 498356722 /nfs/dbraw/zinc/35/67/22/498356722.db2.gz YYQHILXDSZZQSS-QTPAZIJBSA-N 1 3 368.525 3.140 20 0 FGADHO C[C@@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289931872 498356727 /nfs/dbraw/zinc/35/67/27/498356727.db2.gz YYQHILXDSZZQSS-QTPAZIJBSA-N 1 3 368.525 3.140 20 0 FGADHO CC(C)NC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297310583 498400116 /nfs/dbraw/zinc/40/01/16/498400116.db2.gz BRDHQPQBTFQTGJ-UHFFFAOYSA-N 1 3 367.497 3.370 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000282229698 498432923 /nfs/dbraw/zinc/43/29/23/498432923.db2.gz PHQHYVWAQATLOG-OAQYLSRUSA-N 1 3 358.526 3.082 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000362086659 498463078 /nfs/dbraw/zinc/46/30/78/498463078.db2.gz MSICKQSBTLRCEH-UHFFFAOYSA-N 1 3 368.525 3.460 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000362086659 498463084 /nfs/dbraw/zinc/46/30/84/498463084.db2.gz MSICKQSBTLRCEH-UHFFFAOYSA-N 1 3 368.525 3.460 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](CN)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572759847 506045934 /nfs/dbraw/zinc/04/59/34/506045934.db2.gz UYKQILDHQKYKMA-UZKOGDIHSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](CN)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572759847 506045938 /nfs/dbraw/zinc/04/59/38/506045938.db2.gz UYKQILDHQKYKMA-UZKOGDIHSA-N 1 3 365.521 3.146 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297657083 498526364 /nfs/dbraw/zinc/52/63/64/498526364.db2.gz KLVLOMZISILZQW-JXFKEZNVSA-N 1 3 354.498 3.399 20 0 FGADHO C[C@H]1CN(CCSc2ccccc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000362641556 498529845 /nfs/dbraw/zinc/52/98/45/498529845.db2.gz QJACUCGJFAZCKR-INIZCTEOSA-N 1 3 351.535 3.018 20 0 FGADHO C[C@H]1CN(CCSc2ccccc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000362641556 498529848 /nfs/dbraw/zinc/52/98/48/498529848.db2.gz QJACUCGJFAZCKR-INIZCTEOSA-N 1 3 351.535 3.018 20 0 FGADHO C[C@@H]1CN(CCSc2ccccc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000362641557 498529907 /nfs/dbraw/zinc/52/99/07/498529907.db2.gz QJACUCGJFAZCKR-MRXNPFEDSA-N 1 3 351.535 3.018 20 0 FGADHO C[C@@H]1CN(CCSc2ccccc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000362641557 498529912 /nfs/dbraw/zinc/52/99/12/498529912.db2.gz QJACUCGJFAZCKR-MRXNPFEDSA-N 1 3 351.535 3.018 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CNCc1c(C)nc2scc(C3CC3)n12 ZINC000297700311 498540748 /nfs/dbraw/zinc/54/07/48/498540748.db2.gz QKOQYIWUSIQOPG-OAHLLOKOSA-N 1 3 350.532 3.028 20 0 FGADHO CCN(Cc1occc1C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569939552 506052935 /nfs/dbraw/zinc/05/29/35/506052935.db2.gz CYQLVXLOLOLALE-UHFFFAOYSA-N 1 3 361.530 3.133 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581735691 506056695 /nfs/dbraw/zinc/05/66/95/506056695.db2.gz ZCILRNNZEVQVJX-UHFFFAOYSA-N 1 3 355.482 3.113 20 0 FGADHO CN(C)C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ccc(F)cc1 ZINC000287033566 498599441 /nfs/dbraw/zinc/59/94/41/498599441.db2.gz FVVDXGSHTIMYGE-FQEVSTJZSA-N 1 3 372.488 3.354 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061324 498644527 /nfs/dbraw/zinc/64/45/27/498644527.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000303061324 498644534 /nfs/dbraw/zinc/64/45/34/498644534.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 1 3 357.542 3.135 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H]1SC ZINC000298040213 498645689 /nfs/dbraw/zinc/64/56/89/498645689.db2.gz HGNPLIZLFDMBAU-AQNXPRMDSA-N 1 3 364.555 3.158 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240093 498657755 /nfs/dbraw/zinc/65/77/55/498657755.db2.gz IZULLISGXOMYNB-NQIIRXRSSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240093 498657763 /nfs/dbraw/zinc/65/77/63/498657763.db2.gz IZULLISGXOMYNB-NQIIRXRSSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889250 506076704 /nfs/dbraw/zinc/07/67/04/506076704.db2.gz FVBDGVIZEQMSHD-SJORKVTESA-N 1 3 353.510 3.466 20 0 FGADHO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311496204 498751453 /nfs/dbraw/zinc/75/14/53/498751453.db2.gz VSIYOHVPLXRUAO-NHCUHLMSSA-N 1 3 351.494 3.200 20 0 FGADHO CCC(CC)C(=O)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298428274 498768129 /nfs/dbraw/zinc/76/81/29/498768129.db2.gz MYJKAPGYRBHQNN-UHFFFAOYSA-N 1 3 358.530 3.067 20 0 FGADHO FC(F)(F)COc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccn1 ZINC000298444145 498773301 /nfs/dbraw/zinc/77/33/01/498773301.db2.gz NPAVGYCCZHTONC-UHFFFAOYSA-N 1 3 366.387 3.176 20 0 FGADHO CN(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1c(F)cccc1F ZINC000298498351 498792187 /nfs/dbraw/zinc/79/21/87/498792187.db2.gz QIJAMAKHVHKEOU-IBGZPJMESA-N 1 3 360.452 3.221 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)n(C)c1C ZINC000291130754 498808289 /nfs/dbraw/zinc/80/82/89/498808289.db2.gz DXGICBBLIDWQSW-UHFFFAOYSA-N 1 3 355.482 3.006 20 0 FGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298578575 498818759 /nfs/dbraw/zinc/81/87/59/498818759.db2.gz XPHZMNJECPCIDA-AZUAARDMSA-N 1 3 361.436 3.430 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000366260550 498848023 /nfs/dbraw/zinc/84/80/23/498848023.db2.gz RXYGZOYFNZZZPH-IRXDYDNUSA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366260550 498848027 /nfs/dbraw/zinc/84/80/27/498848027.db2.gz RXYGZOYFNZZZPH-IRXDYDNUSA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000366260550 498848031 /nfs/dbraw/zinc/84/80/31/498848031.db2.gz RXYGZOYFNZZZPH-IRXDYDNUSA-N 1 3 361.917 3.161 20 0 FGADHO Cc1cccnc1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000294950132 498859841 /nfs/dbraw/zinc/85/98/41/498859841.db2.gz HNDUVXKVGQCOLX-UHFFFAOYSA-N 1 3 352.526 3.253 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000366345459 498884187 /nfs/dbraw/zinc/88/41/87/498884187.db2.gz IYONORBJDARNKM-DNVCBOLYSA-N 1 3 357.523 3.165 20 0 FGADHO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000573093853 506117658 /nfs/dbraw/zinc/11/76/58/506117658.db2.gz UNDUHXMDFVJXKM-VSKRKVRLSA-N 1 3 369.553 3.074 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284352002 499093968 /nfs/dbraw/zinc/09/39/68/499093968.db2.gz MIDVCUWNVNJQJQ-PWRODBHTSA-N 1 3 356.510 3.207 20 0 FGADHO C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367029918 499136156 /nfs/dbraw/zinc/13/61/56/499136156.db2.gz OGTWCDWEFHIRTM-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367029918 499136158 /nfs/dbraw/zinc/13/61/58/499136158.db2.gz OGTWCDWEFHIRTM-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1CN(CCSc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367029918 499136159 /nfs/dbraw/zinc/13/61/59/499136159.db2.gz OGTWCDWEFHIRTM-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000367474701 499203608 /nfs/dbraw/zinc/20/36/08/499203608.db2.gz NTJGNCWJLODBHV-UHFFFAOYSA-N 1 3 372.488 3.291 20 0 FGADHO C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000367474701 499203610 /nfs/dbraw/zinc/20/36/10/499203610.db2.gz NTJGNCWJLODBHV-UHFFFAOYSA-N 1 3 372.488 3.291 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1)C1CCN(C)CC1 ZINC000370718967 499247986 /nfs/dbraw/zinc/24/79/86/499247986.db2.gz HNMQEKDOPSXQPU-HXUWFJFHSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1)C1CCN(C)CC1 ZINC000370718967 499247987 /nfs/dbraw/zinc/24/79/87/499247987.db2.gz HNMQEKDOPSXQPU-HXUWFJFHSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@H](N)c1ccccc1 ZINC000370763708 499252148 /nfs/dbraw/zinc/25/21/48/499252148.db2.gz OBNVOHZIMAJAFX-BLVDZXQRSA-N 1 3 357.542 3.482 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763383 499252392 /nfs/dbraw/zinc/25/23/92/499252392.db2.gz KANMKXICPVYXIT-VWPQPMDRSA-N 1 3 355.526 3.019 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000367999479 499253424 /nfs/dbraw/zinc/25/34/24/499253424.db2.gz UYKZVRIQIBBSKD-GBESFXJTSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000367999479 499253426 /nfs/dbraw/zinc/25/34/26/499253426.db2.gz UYKZVRIQIBBSKD-GBESFXJTSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367999479 499253427 /nfs/dbraw/zinc/25/34/27/499253427.db2.gz UYKZVRIQIBBSKD-GBESFXJTSA-N 1 3 357.498 3.256 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247491 499277934 /nfs/dbraw/zinc/27/79/34/499277934.db2.gz ZXYQSBKGIRVFAE-CZYKHXBRSA-N 1 3 365.606 3.054 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247491 499277936 /nfs/dbraw/zinc/27/79/36/499277936.db2.gz ZXYQSBKGIRVFAE-CZYKHXBRSA-N 1 3 365.606 3.054 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000368698631 499323262 /nfs/dbraw/zinc/32/32/62/499323262.db2.gz PVHKCFWXQYGAJD-HSZRJFAPSA-N 1 3 369.553 3.233 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000368698631 499323264 /nfs/dbraw/zinc/32/32/64/499323264.db2.gz PVHKCFWXQYGAJD-HSZRJFAPSA-N 1 3 369.553 3.233 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000371415287 499323540 /nfs/dbraw/zinc/32/35/40/499323540.db2.gz BOAVGBDPBYJGLD-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314664 499390849 /nfs/dbraw/zinc/39/08/49/499390849.db2.gz CVAWZGKUGSNMGK-YTQUADARSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314664 499390850 /nfs/dbraw/zinc/39/08/50/499390850.db2.gz CVAWZGKUGSNMGK-YTQUADARSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372234386 499411449 /nfs/dbraw/zinc/41/14/49/499411449.db2.gz YCMDHUPDPDAHJU-ICSRJNTNSA-N 1 3 352.526 3.262 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372234388 499411571 /nfs/dbraw/zinc/41/15/71/499411571.db2.gz YCMDHUPDPDAHJU-UYAOXDASSA-N 1 3 352.526 3.262 20 0 FGADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000373380086 499466446 /nfs/dbraw/zinc/46/64/46/499466446.db2.gz YXZKAPUWCZQQFI-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000373380086 499466447 /nfs/dbraw/zinc/46/64/47/499466447.db2.gz YXZKAPUWCZQQFI-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO Cc1ncc(CN2CC[C@H]([NH2+]CCCN3CCCCC3)[C@H](C)C2)s1 ZINC000375484575 499524433 /nfs/dbraw/zinc/52/44/33/499524433.db2.gz BVDAMXZEKUBYFX-APWZRJJASA-N 1 3 350.576 3.128 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000378523449 499527566 /nfs/dbraw/zinc/52/75/66/499527566.db2.gz NZXPAJAHAPHMGI-GOSISDBHSA-N 1 3 351.922 3.169 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654829 499542815 /nfs/dbraw/zinc/54/28/15/499542815.db2.gz KCESAEXKOSOUFG-DUXKGJEZSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654829 499542817 /nfs/dbraw/zinc/54/28/17/499542817.db2.gz KCESAEXKOSOUFG-DUXKGJEZSA-N 1 3 372.484 3.208 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705804 499547117 /nfs/dbraw/zinc/54/71/17/499547117.db2.gz FGVLAWACRBHFAL-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705804 499547119 /nfs/dbraw/zinc/54/71/19/499547119.db2.gz FGVLAWACRBHFAL-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000398058011 499565978 /nfs/dbraw/zinc/56/59/78/499565978.db2.gz LSSNWVPQLIDJLZ-QMMLZNLJSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062425 499566468 /nfs/dbraw/zinc/56/64/68/499566468.db2.gz MUBRXCRTUPZJKK-UYAOXDASSA-N 1 3 357.542 3.313 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000375993715 499574514 /nfs/dbraw/zinc/57/45/14/499574514.db2.gz JHHNCAIAVLZAKJ-QFIPXVFZSA-N 1 3 372.557 3.071 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)NCCN3CCCCC3)cc2)CC1 ZINC000410334505 499655595 /nfs/dbraw/zinc/65/55/95/499655595.db2.gz WAAMOYSJKMGCOM-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO O=C1CCCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411234636 499715409 /nfs/dbraw/zinc/71/54/09/499715409.db2.gz FXUJFQVEPHOHSO-UHFFFAOYSA-N 1 3 355.526 3.259 20 0 FGADHO COc1cc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc(OC)c1OC ZINC000377710969 499723660 /nfs/dbraw/zinc/72/36/60/499723660.db2.gz YLUPYERWBXQOLN-UHFFFAOYSA-N 1 3 371.481 3.208 20 0 FGADHO COc1cc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc(OC)c1OC ZINC000377710969 499723662 /nfs/dbraw/zinc/72/36/62/499723662.db2.gz YLUPYERWBXQOLN-UHFFFAOYSA-N 1 3 371.481 3.208 20 0 FGADHO CSc1ccc(OC[C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000411434273 499740100 /nfs/dbraw/zinc/74/01/00/499740100.db2.gz ZNYCVVHPZKHGBI-SFHVURJKSA-N 1 3 366.571 3.202 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000411438682 499740726 /nfs/dbraw/zinc/74/07/26/499740726.db2.gz NXCQGRZXPYIJEP-HXUWFJFHSA-N 1 3 363.933 3.370 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740783 /nfs/dbraw/zinc/74/07/83/499740783.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740785 /nfs/dbraw/zinc/74/07/85/499740785.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414168852 499765358 /nfs/dbraw/zinc/76/53/58/499765358.db2.gz VAJQIEIYROLPOE-MOPGFXCFSA-N 1 3 363.546 3.484 20 0 FGADHO CCCc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414206686 499768314 /nfs/dbraw/zinc/76/83/14/499768314.db2.gz YUFCZVGSAKMTDY-IBGZPJMESA-N 1 3 359.558 3.086 20 0 FGADHO CN(CCCNC(=O)C1CCC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634480 499771245 /nfs/dbraw/zinc/77/12/45/499771245.db2.gz LDILFHBJTPKFME-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000414294446 499775059 /nfs/dbraw/zinc/77/50/59/499775059.db2.gz QCGWPUPVBUZUGQ-JFJDKTSWSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000414294446 499775061 /nfs/dbraw/zinc/77/50/61/499775061.db2.gz QCGWPUPVBUZUGQ-JFJDKTSWSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000414294446 499775063 /nfs/dbraw/zinc/77/50/63/499775063.db2.gz QCGWPUPVBUZUGQ-JFJDKTSWSA-N 1 3 368.496 3.402 20 0 FGADHO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000414308709 499776407 /nfs/dbraw/zinc/77/64/07/499776407.db2.gz IQNUQCUWJKASQU-VQIMIIECSA-N 1 3 360.473 3.193 20 0 FGADHO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414327932 499778290 /nfs/dbraw/zinc/77/82/90/499778290.db2.gz PJFUBJHVCKKGBQ-KRWDZBQOSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@H](c1nc2ccccc2n1C(F)F)N(C)CCCN(C)CC[NH+](C)C ZINC000411734015 499784351 /nfs/dbraw/zinc/78/43/51/499784351.db2.gz HIURPIDNCMMELV-OAHLLOKOSA-N 1 3 367.488 3.308 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414565005 499809915 /nfs/dbraw/zinc/80/99/15/499809915.db2.gz YBQWARFYOBRYOF-UHFFFAOYSA-N 1 3 352.526 3.291 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706107 499821628 /nfs/dbraw/zinc/82/16/28/499821628.db2.gz OLAAOGFVUVIEPW-LPHOPBHVSA-N 1 3 363.933 3.454 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706107 499821630 /nfs/dbraw/zinc/82/16/30/499821630.db2.gz OLAAOGFVUVIEPW-LPHOPBHVSA-N 1 3 363.933 3.454 20 0 FGADHO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414729906 499824054 /nfs/dbraw/zinc/82/40/54/499824054.db2.gz GBTWGHAQMKRRMB-KBPBESRZSA-N 1 3 357.420 3.354 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737975 499825110 /nfs/dbraw/zinc/82/51/10/499825110.db2.gz OREXHOWDKIAFLB-ZIAGYGMSSA-N 1 3 368.319 3.016 20 0 FGADHO COc1ccc(Br)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771741 499829136 /nfs/dbraw/zinc/82/91/36/499829136.db2.gz AIXFKOZWQPDDJD-UONOGXRCSA-N 1 3 353.304 3.279 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412144128 499827673 /nfs/dbraw/zinc/82/76/73/499827673.db2.gz AWUHKXBSFBRNLT-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819039 499834316 /nfs/dbraw/zinc/83/43/16/499834316.db2.gz XQNHUGJCZLCTNI-SWLSCSKDSA-N 1 3 356.308 3.273 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414826124 499835039 /nfs/dbraw/zinc/83/50/39/499835039.db2.gz IONOAUQZGSOIBJ-HNNXBMFYSA-N 1 3 366.347 3.003 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414831384 499835400 /nfs/dbraw/zinc/83/54/00/499835400.db2.gz DBUSLFFVEKMYFY-QAPCUYQASA-N 1 3 352.906 3.377 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848307 499837485 /nfs/dbraw/zinc/83/74/85/499837485.db2.gz GLNZKTWAAMOYFK-BFHYXJOUSA-N 1 3 353.894 3.043 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855894 499838162 /nfs/dbraw/zinc/83/81/62/499838162.db2.gz XUXPBVKEKWLHFQ-IUODEOHRSA-N 1 3 356.308 3.129 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899235 499842872 /nfs/dbraw/zinc/84/28/72/499842872.db2.gz CITWHVWEAQRITF-GUYCJALGSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899235 499842873 /nfs/dbraw/zinc/84/28/73/499842873.db2.gz CITWHVWEAQRITF-GUYCJALGSA-N 1 3 357.420 3.402 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415063161 499859917 /nfs/dbraw/zinc/85/99/17/499859917.db2.gz GXETYASQTKCRPW-BLLLJJGKSA-N 1 3 353.894 3.173 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415065886 499860202 /nfs/dbraw/zinc/86/02/02/499860202.db2.gz NXHJKXNDLIERJS-KSSFIOAISA-N 1 3 351.922 3.184 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415091425 499862532 /nfs/dbraw/zinc/86/25/32/499862532.db2.gz ZFLCQUAQWYOMOK-IPMKNSEASA-N 1 3 354.498 3.352 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H](C)C[C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099324 499863332 /nfs/dbraw/zinc/86/33/32/499863332.db2.gz GTCFOVGIDKTONH-UIFIKXQLSA-N 1 3 357.542 3.291 20 0 FGADHO COc1ccccc1/C=C\CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415127043 499867100 /nfs/dbraw/zinc/86/71/00/499867100.db2.gz HTVIFGAJIASZEW-XFFZJAGNSA-N 1 3 365.521 3.292 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126050 499867224 /nfs/dbraw/zinc/86/72/24/499867224.db2.gz OVCDFSAFVAYXRQ-SJLPKXTDSA-N 1 3 372.431 3.346 20 0 FGADHO Cc1cc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000415245155 499880752 /nfs/dbraw/zinc/88/07/52/499880752.db2.gz AILJJSRZGVYZKJ-CQSZACIVSA-N 1 3 356.474 3.122 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000413193541 499925191 /nfs/dbraw/zinc/92/51/91/499925191.db2.gz AMFJWUJXDXPWBQ-RBUKOAKNSA-N 1 3 364.578 3.059 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000415973118 499935922 /nfs/dbraw/zinc/93/59/22/499935922.db2.gz NTGVLCNOJDDPFC-UZLBHIALSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979606 499936903 /nfs/dbraw/zinc/93/69/03/499936903.db2.gz DTCFKCOEYYGFDT-OXQOHEQNSA-N 1 3 352.482 3.048 20 0 FGADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000415997303 499939172 /nfs/dbraw/zinc/93/91/72/499939172.db2.gz OVPAXYIFSJSKOQ-INIZCTEOSA-N 1 3 352.482 3.322 20 0 FGADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000415997303 499939173 /nfs/dbraw/zinc/93/91/73/499939173.db2.gz OVPAXYIFSJSKOQ-INIZCTEOSA-N 1 3 352.482 3.322 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000416256122 499997621 /nfs/dbraw/zinc/99/76/21/499997621.db2.gz YKNZNOWFWYLVQH-HXUWFJFHSA-N 1 3 373.472 3.398 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000429075680 499998606 /nfs/dbraw/zinc/99/86/06/499998606.db2.gz QYSTVGUYQZCWAO-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000429075680 499998608 /nfs/dbraw/zinc/99/86/08/499998608.db2.gz QYSTVGUYQZCWAO-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217522 500008042 /nfs/dbraw/zinc/00/80/42/500008042.db2.gz DKFDXLBEEPSRLG-FIKGOQFSSA-N 1 3 366.509 3.341 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291947 500029739 /nfs/dbraw/zinc/02/97/39/500029739.db2.gz BONWQYSRKZTOMJ-CZUORRHYSA-N 1 3 374.451 3.077 20 0 FGADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC1CCC([NH+](C)C)CC1 ZINC000421370070 500029989 /nfs/dbraw/zinc/02/99/89/500029989.db2.gz IPJXHLKGFKRAEI-UHFFFAOYSA-N 1 3 370.497 3.011 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000421373688 500030628 /nfs/dbraw/zinc/03/06/28/500030628.db2.gz MWMNZHZFWJFWAM-UHFFFAOYSA-N 1 3 364.603 3.433 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000421373688 500030634 /nfs/dbraw/zinc/03/06/34/500030634.db2.gz MWMNZHZFWJFWAM-UHFFFAOYSA-N 1 3 364.603 3.433 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399394 500061254 /nfs/dbraw/zinc/06/12/54/500061254.db2.gz ZMZFDIBFPWYAQZ-HAGHYFMRSA-N 1 3 363.496 3.359 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399394 500061259 /nfs/dbraw/zinc/06/12/59/500061259.db2.gz ZMZFDIBFPWYAQZ-HAGHYFMRSA-N 1 3 363.496 3.359 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429439709 500079040 /nfs/dbraw/zinc/07/90/40/500079040.db2.gz AZMZKCLXGGGQND-MRXNPFEDSA-N 1 3 369.347 3.063 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416826485 500130618 /nfs/dbraw/zinc/13/06/18/500130618.db2.gz BSIIUIJYAFVTGL-INIZCTEOSA-N 1 3 366.575 3.147 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000416834188 500133828 /nfs/dbraw/zinc/13/38/28/500133828.db2.gz DFQWZUULUHDKAI-HXUWFJFHSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000416840302 500135383 /nfs/dbraw/zinc/13/53/83/500135383.db2.gz LATJGJBAYAIWFW-QAPCUYQASA-N 1 3 372.538 3.404 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000416884734 500147449 /nfs/dbraw/zinc/14/74/49/500147449.db2.gz LELBSSTXUJBNIY-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3cc4n(n3)CCC4)CC2)cc1 ZINC000414077290 500147676 /nfs/dbraw/zinc/14/76/76/500147676.db2.gz PSUQAXZGMSNGNY-KRWDZBQOSA-N 1 3 368.525 3.401 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417686439 500148443 /nfs/dbraw/zinc/14/84/43/500148443.db2.gz GLIZCQNMWRQUDV-AOIWGVFYSA-N 1 3 358.530 3.029 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000579453049 506178714 /nfs/dbraw/zinc/17/87/14/506178714.db2.gz XBIXVHRWPOZATD-FQEVSTJZSA-N 1 3 358.530 3.126 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369247 506181290 /nfs/dbraw/zinc/18/12/90/506181290.db2.gz ADDVDBDAVQXSCV-YLJYHZDGSA-N 1 3 357.542 3.071 20 0 FGADHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950061 500215654 /nfs/dbraw/zinc/21/56/54/500215654.db2.gz IRIVXZBTDZGXCO-BHDDXSALSA-N 1 3 372.553 3.320 20 0 FGADHO OC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000418094993 500228090 /nfs/dbraw/zinc/22/80/90/500228090.db2.gz IRHHOTYYPZHJAA-FGZHOGPDSA-N 1 3 350.506 3.407 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418207264 500249191 /nfs/dbraw/zinc/24/91/91/500249191.db2.gz BKQNYDHFBOAMSO-LJQANCHMSA-N 1 3 360.546 3.073 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)N(CC)CC)cc1 ZINC000418221358 500251545 /nfs/dbraw/zinc/25/15/45/500251545.db2.gz VQTBGANQNOUBTI-NJYVYQBISA-N 1 3 372.557 3.025 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587712 500259076 /nfs/dbraw/zinc/25/90/76/500259076.db2.gz ACASZGQXQKHLLI-HNNXBMFYSA-N 1 3 356.308 3.083 20 0 FGADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418356152 500267393 /nfs/dbraw/zinc/26/73/93/500267393.db2.gz XLHQOSQMYAYQNF-VURPSTOHSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418355398 500267847 /nfs/dbraw/zinc/26/78/47/500267847.db2.gz BKEMAOPBRKTFES-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1nc2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422823 500271360 /nfs/dbraw/zinc/27/13/60/500271360.db2.gz YCCSFSBOQXDYSX-KXBFYZLASA-N 1 3 358.555 3.063 20 0 FGADHO Cc1nc2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422823 500271361 /nfs/dbraw/zinc/27/13/61/500271361.db2.gz YCCSFSBOQXDYSX-KXBFYZLASA-N 1 3 358.555 3.063 20 0 FGADHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708185 500273034 /nfs/dbraw/zinc/27/30/34/500273034.db2.gz RTKCPXVHJZTNLY-OAQYLSRUSA-N 1 3 355.526 3.163 20 0 FGADHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708185 500273036 /nfs/dbraw/zinc/27/30/36/500273036.db2.gz RTKCPXVHJZTNLY-OAQYLSRUSA-N 1 3 355.526 3.163 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425235 500274791 /nfs/dbraw/zinc/27/47/91/500274791.db2.gz JFFGQCZNJBRJAB-LJQANCHMSA-N 1 3 360.546 3.058 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418481452 500282232 /nfs/dbraw/zinc/28/22/32/500282232.db2.gz CPSMAEBGLFSXIF-OAQYLSRUSA-N 1 3 368.525 3.357 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486400 500282466 /nfs/dbraw/zinc/28/24/66/500282466.db2.gz JJUBWVKXYYCWEQ-CZAAIQMYSA-N 1 3 368.525 3.211 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486400 500282469 /nfs/dbraw/zinc/28/24/69/500282469.db2.gz JJUBWVKXYYCWEQ-CZAAIQMYSA-N 1 3 368.525 3.211 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2)cc1F ZINC000422641647 500285161 /nfs/dbraw/zinc/28/51/61/500285161.db2.gz YETDHZWQKPNBKH-UXLLHSPISA-N 1 3 360.477 3.422 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422717397 500289463 /nfs/dbraw/zinc/28/94/63/500289463.db2.gz VPXLPTNGEQWKNT-UYAOXDASSA-N 1 3 361.599 3.286 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730332 500291221 /nfs/dbraw/zinc/29/12/21/500291221.db2.gz MBWSTQBLJYRBNS-TUNNFDKTSA-N 1 3 369.484 3.274 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737319 500292685 /nfs/dbraw/zinc/29/26/85/500292685.db2.gz XHSDADFALMGBJD-AZUAARDMSA-N 1 3 367.497 3.010 20 0 FGADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746963 500293658 /nfs/dbraw/zinc/29/36/58/500293658.db2.gz XSPXGTPYSXPREL-DNVJHFABSA-N 1 3 371.569 3.044 20 0 FGADHO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422752470 500293949 /nfs/dbraw/zinc/29/39/49/500293949.db2.gz HDICBXCKBTZEBD-KSFYIVLOSA-N 1 3 368.525 3.345 20 0 FGADHO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422752471 500294021 /nfs/dbraw/zinc/29/40/21/500294021.db2.gz HDICBXCKBTZEBD-OPAMFIHVSA-N 1 3 368.525 3.345 20 0 FGADHO CCC(CC)(C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)N[C@H](C)c1ccccc1 ZINC000422760681 500295184 /nfs/dbraw/zinc/29/51/84/500295184.db2.gz LCPVAANTVSUYFO-JRGCBEDISA-N 1 3 359.558 3.253 20 0 FGADHO CCC(CC)(CN[C@H](C1CC1)[C@@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000422760681 500295185 /nfs/dbraw/zinc/29/51/85/500295185.db2.gz LCPVAANTVSUYFO-JRGCBEDISA-N 1 3 359.558 3.253 20 0 FGADHO c1ccc(CN2CC[C@H](N[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772063 500295708 /nfs/dbraw/zinc/29/57/08/500295708.db2.gz YCJJIYGADBKWGG-XKCSPQBFSA-N 1 3 363.505 3.106 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418612764 500296663 /nfs/dbraw/zinc/29/66/63/500296663.db2.gz VYJGGFNEHVTSCS-CEWLAPEOSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786071 500297514 /nfs/dbraw/zinc/29/75/14/500297514.db2.gz OERUJCPKGPDERA-IAOVAPTHSA-N 1 3 356.432 3.469 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786071 500297516 /nfs/dbraw/zinc/29/75/16/500297516.db2.gz OERUJCPKGPDERA-IAOVAPTHSA-N 1 3 356.432 3.469 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809122 500300561 /nfs/dbraw/zinc/30/05/61/500300561.db2.gz PHMKINDUTJOGKM-GOTSBHOMSA-N 1 3 364.537 3.242 20 0 FGADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000422809122 500300562 /nfs/dbraw/zinc/30/05/62/500300562.db2.gz PHMKINDUTJOGKM-GOTSBHOMSA-N 1 3 364.537 3.242 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418664274 500304122 /nfs/dbraw/zinc/30/41/22/500304122.db2.gz ISJQKMFMGVFQMH-IIDMSEBBSA-N 1 3 366.937 3.007 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418669298 500304635 /nfs/dbraw/zinc/30/46/35/500304635.db2.gz HYUWILFBGYZNBB-KNQAVFIVSA-N 1 3 372.557 3.202 20 0 FGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1(CN2CCOCC2)CCCCC1 ZINC000422845300 500304892 /nfs/dbraw/zinc/30/48/92/500304892.db2.gz BNVSIWYRAKRNJT-NJDAHSKKSA-N 1 3 363.590 3.170 20 0 FGADHO COCCOc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860296 500306673 /nfs/dbraw/zinc/30/66/73/500306673.db2.gz LHXWWEMHVKANBA-UNMCSNQZSA-N 1 3 368.477 3.057 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422858800 500306797 /nfs/dbraw/zinc/30/67/97/500306797.db2.gz JHWBVFZYIHWJJE-MTNREXPMSA-N 1 3 354.494 3.245 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678506 500306788 /nfs/dbraw/zinc/30/67/88/500306788.db2.gz VPBXJQOPMRCUHH-AZUAARDMSA-N 1 3 360.546 3.058 20 0 FGADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422869538 500308202 /nfs/dbraw/zinc/30/82/02/500308202.db2.gz ANLYJOFTQVXYTQ-DXBBTUNJSA-N 1 3 369.553 3.121 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418691823 500308813 /nfs/dbraw/zinc/30/88/13/500308813.db2.gz ZLTUEQHQPAAPJU-WGSAOQKQSA-N 1 3 352.567 3.049 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430934501 500309675 /nfs/dbraw/zinc/30/96/75/500309675.db2.gz MWIPOPMWZYDMAE-UHFFFAOYSA-N 1 3 367.493 3.245 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884608 500310295 /nfs/dbraw/zinc/31/02/95/500310295.db2.gz SEAKFMFAPBMILL-RCBQFDQVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1ccc(Br)cc1 ZINC000422884608 500310296 /nfs/dbraw/zinc/31/02/96/500310296.db2.gz SEAKFMFAPBMILL-RCBQFDQVSA-N 1 3 355.320 3.069 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885424 500311050 /nfs/dbraw/zinc/31/10/50/500311050.db2.gz YPAPWUFRCIROPE-PBHICJAKSA-N 1 3 367.331 3.214 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885494 500311108 /nfs/dbraw/zinc/31/11/08/500311108.db2.gz YXEJLSVHBOQSQJ-LWSMDNFKSA-N 1 3 367.603 3.021 20 0 FGADHO Clc1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928421 500318535 /nfs/dbraw/zinc/31/85/35/500318535.db2.gz KMIOYUCCVXRUOU-UAGQMJEPSA-N 1 3 350.890 3.164 20 0 FGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934733 500319300 /nfs/dbraw/zinc/31/93/00/500319300.db2.gz DAFPPAFJENLFOJ-KGLIPLIRSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000422934733 500319302 /nfs/dbraw/zinc/31/93/02/500319302.db2.gz DAFPPAFJENLFOJ-KGLIPLIRSA-N 1 3 355.320 3.213 20 0 FGADHO c1coc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964438 500324766 /nfs/dbraw/zinc/32/47/66/500324766.db2.gz LOSCHQDZEODHSS-XQBPLPMBSA-N 1 3 367.493 3.262 20 0 FGADHO COCCNc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963307 500324787 /nfs/dbraw/zinc/32/47/87/500324787.db2.gz FMRZAPOZNZMOEE-RBBKRZOGSA-N 1 3 367.493 3.090 20 0 FGADHO OCC1CCN(Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422984165 500327073 /nfs/dbraw/zinc/32/70/73/500327073.db2.gz XFHKTSNMBQLAKE-FDFHNCONSA-N 1 3 357.542 3.224 20 0 FGADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422989563 500327826 /nfs/dbraw/zinc/32/78/26/500327826.db2.gz LSBKXESYYMEZMD-OWCLPIDISA-N 1 3 357.420 3.380 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889246 500333485 /nfs/dbraw/zinc/33/34/85/500333485.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889246 500333489 /nfs/dbraw/zinc/33/34/89/500333489.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 1 3 355.526 3.125 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053293 500336241 /nfs/dbraw/zinc/33/62/41/500336241.db2.gz AHSZAWRRBHSLSK-AWEZNQCLSA-N 1 3 358.917 3.211 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058721 500336752 /nfs/dbraw/zinc/33/67/52/500336752.db2.gz KGPNTHAQXZJJMB-UVBJJODRSA-N 1 3 360.395 3.218 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058721 500336754 /nfs/dbraw/zinc/33/67/54/500336754.db2.gz KGPNTHAQXZJJMB-UVBJJODRSA-N 1 3 360.395 3.218 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068142 500337922 /nfs/dbraw/zinc/33/79/22/500337922.db2.gz AZICYJXNPQHQKT-GFCCVEGCSA-N 1 3 368.403 3.382 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423073794 500338496 /nfs/dbraw/zinc/33/84/96/500338496.db2.gz JWAFDKKQVHIDRP-ZMVGRULKSA-N 1 3 370.512 3.448 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(Br)s2)CCC1 ZINC000423102801 500342564 /nfs/dbraw/zinc/34/25/64/500342564.db2.gz KOIHDYYGKPXVOT-AVGNSLFASA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102801 500342566 /nfs/dbraw/zinc/34/25/66/500342566.db2.gz KOIHDYYGKPXVOT-AVGNSLFASA-N 1 3 373.360 3.274 20 0 FGADHO Fc1ccccc1N1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132248 500346707 /nfs/dbraw/zinc/34/67/07/500346707.db2.gz PCCHXUPOTUHPMR-DKZVUGQWSA-N 1 3 367.468 3.250 20 0 FGADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000423281325 500361314 /nfs/dbraw/zinc/36/13/14/500361314.db2.gz UGRYNTBLURFXTM-XPTSAGLGSA-N 1 3 363.811 3.403 20 0 FGADHO N[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000423327845 500364564 /nfs/dbraw/zinc/36/45/64/500364564.db2.gz KIJJGSSYPYHLRI-OAQYLSRUSA-N 1 3 357.542 3.107 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385467 500369462 /nfs/dbraw/zinc/36/94/62/500369462.db2.gz KRZBMBNSILSBCF-LRDDRELGSA-N 1 3 361.477 3.114 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388081 500369574 /nfs/dbraw/zinc/36/95/74/500369574.db2.gz SXRDBLKNSCKRAF-WOSRLPQWSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388081 500369576 /nfs/dbraw/zinc/36/95/76/500369576.db2.gz SXRDBLKNSCKRAF-WOSRLPQWSA-N 1 3 372.294 3.342 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396096 500370149 /nfs/dbraw/zinc/37/01/49/500370149.db2.gz RGXDUJVUONNUIN-KAGYGMCKSA-N 1 3 357.542 3.121 20 0 FGADHO Cc1cc2c(cc1C)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397165 500370328 /nfs/dbraw/zinc/37/03/28/500370328.db2.gz UKAFAEVNYCVDFX-WBVHZDCISA-N 1 3 373.488 3.266 20 0 FGADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423475091 500377298 /nfs/dbraw/zinc/37/72/98/500377298.db2.gz ZUDJPIVOFNBKBA-AVGNSLFASA-N 1 3 358.267 3.459 20 0 FGADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423481933 500378124 /nfs/dbraw/zinc/37/81/24/500378124.db2.gz XDGYXNYCUDYPPJ-LPXKSRHMSA-N 1 3 362.489 3.086 20 0 FGADHO Fc1ccc([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccc2)nc1 ZINC000423525272 500382240 /nfs/dbraw/zinc/38/22/40/500382240.db2.gz YAJAOKBNUQWUNA-AOMIVXANSA-N 1 3 368.500 3.116 20 0 FGADHO [NH3+]C1(CNC2CCN(CCC(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423531780 500382947 /nfs/dbraw/zinc/38/29/47/500382947.db2.gz UFJFWZNXSFMZTM-UHFFFAOYSA-N 1 3 359.480 3.146 20 0 FGADHO NC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423531780 500382948 /nfs/dbraw/zinc/38/29/48/500382948.db2.gz UFJFWZNXSFMZTM-UHFFFAOYSA-N 1 3 359.480 3.146 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423769506 500400352 /nfs/dbraw/zinc/40/03/52/500400352.db2.gz CJXZIJUDZSPSBZ-DUXKGJEZSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423839862 500410288 /nfs/dbraw/zinc/41/02/88/500410288.db2.gz DNGAERPANBDCKM-NSISKUIASA-N 1 3 358.530 3.021 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000431867492 500436417 /nfs/dbraw/zinc/43/64/17/500436417.db2.gz ZQQILZSOMCQVHR-NHCUHLMSSA-N 1 3 374.573 3.448 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302545 500437511 /nfs/dbraw/zinc/43/75/11/500437511.db2.gz MOMSUPLVGUHOHZ-HKUYNNGSSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302545 500437512 /nfs/dbraw/zinc/43/75/12/500437512.db2.gz MOMSUPLVGUHOHZ-HKUYNNGSSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302545 500437513 /nfs/dbraw/zinc/43/75/13/500437513.db2.gz MOMSUPLVGUHOHZ-HKUYNNGSSA-N 1 3 354.450 3.303 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324629 500441752 /nfs/dbraw/zinc/44/17/52/500441752.db2.gz HLAUOAOGWDZMQS-ZJPYXAASSA-N 1 3 361.555 3.122 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330549 500442492 /nfs/dbraw/zinc/44/24/92/500442492.db2.gz AUQXNJFNIZRBCA-HBMCJLEFSA-N 1 3 355.526 3.062 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340610 500444954 /nfs/dbraw/zinc/44/49/54/500444954.db2.gz MVXISEXFIQOIQH-CSODHUTKSA-N 1 3 357.542 3.279 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373710 500450041 /nfs/dbraw/zinc/45/00/41/500450041.db2.gz MXYKRJNDFRPDFU-OALUTQOASA-N 1 3 364.493 3.252 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373710 500450042 /nfs/dbraw/zinc/45/00/42/500450042.db2.gz MXYKRJNDFRPDFU-OALUTQOASA-N 1 3 364.493 3.252 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420379185 500450889 /nfs/dbraw/zinc/45/08/89/500450889.db2.gz MWDKSJZCKXVUJK-LJQANCHMSA-N 1 3 371.529 3.140 20 0 FGADHO CCN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296837 500483601 /nfs/dbraw/zinc/48/36/01/500483601.db2.gz SJBMSTRCAKDXRP-DLBZAZTESA-N 1 3 361.505 3.199 20 0 FGADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302407 500483757 /nfs/dbraw/zinc/48/37/57/500483757.db2.gz ZJXNTOCTCXAUKB-SJORKVTESA-N 1 3 369.509 3.416 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309168 500484662 /nfs/dbraw/zinc/48/46/62/500484662.db2.gz HZOHQHAWEUNZHY-JKSUJKDBSA-N 1 3 353.938 3.273 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CC(OC(C)C)C3)CC2)c1 ZINC000428257055 500487947 /nfs/dbraw/zinc/48/79/47/500487947.db2.gz ASKKCAKQTFHCIS-UHFFFAOYSA-N 1 3 359.558 3.443 20 0 FGADHO CCN1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690809 500544285 /nfs/dbraw/zinc/54/42/85/500544285.db2.gz LSJCOUKOOUOOAF-TZIWHRDSSA-N 1 3 374.573 3.489 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984868 500549112 /nfs/dbraw/zinc/54/91/12/500549112.db2.gz UYUZTEGFIMYTRS-FPOVZHCZSA-N 1 3 351.579 3.074 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984868 500549116 /nfs/dbraw/zinc/54/91/16/500549116.db2.gz UYUZTEGFIMYTRS-FPOVZHCZSA-N 1 3 351.579 3.074 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000442593977 500602591 /nfs/dbraw/zinc/60/25/91/500602591.db2.gz KAZLKAZFSRWKIN-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593977 500602595 /nfs/dbraw/zinc/60/25/95/500602595.db2.gz KAZLKAZFSRWKIN-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)(N2CCCCC2)CC1 ZINC000442766826 500622823 /nfs/dbraw/zinc/62/28/23/500622823.db2.gz LQZHQVKMCLUTMF-SFHVURJKSA-N 1 3 366.553 3.175 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788912 500626469 /nfs/dbraw/zinc/62/64/69/500626469.db2.gz GDNIQXXRWKVYBZ-NVXWUHKLSA-N 1 3 356.432 3.388 20 0 FGADHO C[C@H]1CCCCN1C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126196 500631713 /nfs/dbraw/zinc/63/17/13/500631713.db2.gz NKFBHMGPRSXPQP-FQEVSTJZSA-N 1 3 369.553 3.376 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868805 500637012 /nfs/dbraw/zinc/63/70/12/500637012.db2.gz CZAPWXUDJVXEJV-QGZVFWFLSA-N 1 3 371.447 3.188 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872223 500637080 /nfs/dbraw/zinc/63/70/80/500637080.db2.gz HXAINLBEHPIZDU-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443679114 500754997 /nfs/dbraw/zinc/75/49/97/500754997.db2.gz FDRXBCYNZDLVGO-KRWDZBQOSA-N 1 3 354.583 3.116 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762346 /nfs/dbraw/zinc/76/23/46/500762346.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 1 3 372.557 3.194 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762347 /nfs/dbraw/zinc/76/23/47/500762347.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000434348018 500829633 /nfs/dbraw/zinc/82/96/33/500829633.db2.gz CXVJSNWVLCKYJQ-FXAWDEMLSA-N 1 3 372.557 3.432 20 0 FGADHO CC(C)[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751408 500892228 /nfs/dbraw/zinc/89/22/28/500892228.db2.gz OXNIXHBZEMUCPC-NRFANRHFSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000434778058 500893516 /nfs/dbraw/zinc/89/35/16/500893516.db2.gz ROAKLBBIRYSIRX-PXNSSMCTSA-N 1 3 357.542 3.427 20 0 FGADHO COc1cccc2c(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)cccc12 ZINC000449036099 500907373 /nfs/dbraw/zinc/90/73/73/500907373.db2.gz ITDSQXBZDHQPNQ-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO CCCC[NH+]1CCC(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449097867 500924766 /nfs/dbraw/zinc/92/47/66/500924766.db2.gz GEEXNLXPMCCDER-MRXNPFEDSA-N 1 3 352.544 3.048 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC(n3ccc(C)n3)CC2)CC1 ZINC000435040742 500925524 /nfs/dbraw/zinc/92/55/24/500925524.db2.gz MZGQXHVKKJJERV-UHFFFAOYSA-N 1 3 367.541 3.171 20 0 FGADHO COc1nccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000449128389 500931192 /nfs/dbraw/zinc/93/11/92/500931192.db2.gz RXAGGYKHGLSLLX-UHFFFAOYSA-N 1 3 360.889 3.140 20 0 FGADHO CN(C)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000449152059 500936183 /nfs/dbraw/zinc/93/61/83/500936183.db2.gz CQYLPLDFSGNKPY-UHFFFAOYSA-N 1 3 353.595 3.366 20 0 FGADHO CCO[C@@H]1C[C@](CO)(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267439 500961785 /nfs/dbraw/zinc/96/17/85/500961785.db2.gz ZJWXLXMSOUITJF-QTGUNEKASA-N 1 3 374.569 3.238 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4CC[C@@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373377 500962421 /nfs/dbraw/zinc/96/24/21/500962421.db2.gz MXQZLOGTJLXSRK-PKOBYXMFSA-N 1 3 364.493 3.391 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449364937 500987536 /nfs/dbraw/zinc/98/75/36/500987536.db2.gz UKZNWJHZADQPKM-VOQZNFBZSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364937 500987538 /nfs/dbraw/zinc/98/75/38/500987538.db2.gz UKZNWJHZADQPKM-VOQZNFBZSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449363706 500987566 /nfs/dbraw/zinc/98/75/66/500987566.db2.gz QIKQUMZNLOYUOK-FDDCHVKYSA-N 1 3 370.512 3.414 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000449490704 501015724 /nfs/dbraw/zinc/01/57/24/501015724.db2.gz CLNQONQMLLPIJL-DENIHFKCSA-N 1 3 359.558 3.369 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592574 501039869 /nfs/dbraw/zinc/03/98/69/501039869.db2.gz ODHNAWRGWYUXGR-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@H](c4ccnn4C)C3)CC2)C1 ZINC000449592574 501039875 /nfs/dbraw/zinc/03/98/75/501039875.db2.gz ODHNAWRGWYUXGR-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO COC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000449781713 501085760 /nfs/dbraw/zinc/08/57/60/501085760.db2.gz XQWVAYZAEUBMBE-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO COC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000449781713 501085763 /nfs/dbraw/zinc/08/57/63/501085763.db2.gz XQWVAYZAEUBMBE-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450472410 501129519 /nfs/dbraw/zinc/12/95/19/501129519.db2.gz FKVHTBSSIXNHHY-UGTOYMOASA-N 1 3 374.569 3.362 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000446590612 501138770 /nfs/dbraw/zinc/13/87/70/501138770.db2.gz FEWMUJONLDGPQD-UHFFFAOYSA-N 1 3 360.546 3.376 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1)CC(C)C ZINC000446618406 501142105 /nfs/dbraw/zinc/14/21/05/501142105.db2.gz VDHCRXIOAASLOZ-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1)CC(C)C ZINC000446618406 501142109 /nfs/dbraw/zinc/14/21/09/501142109.db2.gz VDHCRXIOAASLOZ-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000446743283 501160079 /nfs/dbraw/zinc/16/00/79/501160079.db2.gz DOWHTQPNHQGORJ-CTNGQTDRSA-N 1 3 355.530 3.430 20 0 FGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000446868782 501175579 /nfs/dbraw/zinc/17/55/79/501175579.db2.gz SZNIDGMGFPULJY-UHFFFAOYSA-N 1 3 364.449 3.044 20 0 FGADHO O=C([C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1)N1CCCCC1 ZINC000447027844 501195434 /nfs/dbraw/zinc/19/54/34/501195434.db2.gz MPDFPFHAOZPGMC-OAQYLSRUSA-N 1 3 355.526 3.204 20 0 FGADHO OCCN(Cc1cc(Cl)cc(C[N@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000450824363 501214154 /nfs/dbraw/zinc/21/41/54/501214154.db2.gz DXRXXXRTYGWLQT-UHFFFAOYSA-N 1 3 366.933 3.034 20 0 FGADHO OCCN(Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000450824363 501214155 /nfs/dbraw/zinc/21/41/55/501214155.db2.gz DXRXXXRTYGWLQT-UHFFFAOYSA-N 1 3 366.933 3.034 20 0 FGADHO C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cc1 ZINC000451056028 501242413 /nfs/dbraw/zinc/24/24/13/501242413.db2.gz NLCJWGYFVOZTTD-NRFANRHFSA-N 1 3 357.542 3.204 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000451179112 501250321 /nfs/dbraw/zinc/25/03/21/501250321.db2.gz CKWOTIGVTWGVID-DBXWQHBBSA-N 1 3 357.542 3.242 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457646065 501276661 /nfs/dbraw/zinc/27/66/61/501276661.db2.gz ZPBJSURBPZIVNG-UHFFFAOYSA-N 1 3 374.573 3.379 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160801 501281861 /nfs/dbraw/zinc/28/18/61/501281861.db2.gz IANIGVVBJCDPIG-UEXGIBASSA-N 1 3 368.525 3.127 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160801 501281863 /nfs/dbraw/zinc/28/18/63/501281863.db2.gz IANIGVVBJCDPIG-UEXGIBASSA-N 1 3 368.525 3.127 20 0 FGADHO C[C@](O)(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000453165139 501282679 /nfs/dbraw/zinc/28/26/79/501282679.db2.gz AYWSDXRCCICYDY-MLHJIOFPSA-N 1 3 356.432 3.333 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458373648 501430004 /nfs/dbraw/zinc/43/00/04/501430004.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 1 3 364.578 3.014 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458373648 501430005 /nfs/dbraw/zinc/43/00/05/501430005.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 1 3 364.578 3.014 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000458438895 501444753 /nfs/dbraw/zinc/44/47/53/501444753.db2.gz ZUCFVVAMSPWXOO-LJQANCHMSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000458481500 501454435 /nfs/dbraw/zinc/45/44/35/501454435.db2.gz DADXPDMJFQDFKR-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495522 501458714 /nfs/dbraw/zinc/45/87/14/501458714.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495522 501458717 /nfs/dbraw/zinc/45/87/17/501458717.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000454206189 501482329 /nfs/dbraw/zinc/48/23/29/501482329.db2.gz FGSIFCLPIXTSJJ-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)N(C)C ZINC000454223154 501486231 /nfs/dbraw/zinc/48/62/31/501486231.db2.gz FPZZMAQICWSJTA-KRWDZBQOSA-N 1 3 368.525 3.165 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)[NH+](C)C ZINC000454223154 501486234 /nfs/dbraw/zinc/48/62/34/501486234.db2.gz FPZZMAQICWSJTA-KRWDZBQOSA-N 1 3 368.525 3.165 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)N(C)C ZINC000458759395 501524546 /nfs/dbraw/zinc/52/45/46/501524546.db2.gz GHOYKTJVUDVVIU-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)N(C)C ZINC000458759395 501524548 /nfs/dbraw/zinc/52/45/48/501524548.db2.gz GHOYKTJVUDVVIU-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO CC[C@H]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454447348 501547136 /nfs/dbraw/zinc/54/71/36/501547136.db2.gz FRPJWCCVAXQNKK-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456705798 501582416 /nfs/dbraw/zinc/58/24/16/501582416.db2.gz IQBGBLAXZVVBHD-UHFFFAOYSA-N 1 3 351.579 3.466 20 0 FGADHO CC(C)OC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017191 501602035 /nfs/dbraw/zinc/60/20/35/501602035.db2.gz MSKUJJQPIKZQAF-FCHUYYIVSA-N 1 3 374.569 3.395 20 0 FGADHO CC(C)OC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017191 501602037 /nfs/dbraw/zinc/60/20/37/501602037.db2.gz MSKUJJQPIKZQAF-FCHUYYIVSA-N 1 3 374.569 3.395 20 0 FGADHO CSC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027473 501603997 /nfs/dbraw/zinc/60/39/97/501603997.db2.gz VMWKMDSTFJYLSJ-WOJBJXKFSA-N 1 3 362.583 3.333 20 0 FGADHO CSC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027473 501603998 /nfs/dbraw/zinc/60/39/98/501603998.db2.gz VMWKMDSTFJYLSJ-WOJBJXKFSA-N 1 3 362.583 3.333 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459293652 501626135 /nfs/dbraw/zinc/62/61/35/501626135.db2.gz GAVGBOYJWNAJIW-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457427 501701925 /nfs/dbraw/zinc/70/19/25/501701925.db2.gz NQTKMAIVSPVTHG-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457427 501701926 /nfs/dbraw/zinc/70/19/26/501701926.db2.gz NQTKMAIVSPVTHG-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457447 501702142 /nfs/dbraw/zinc/70/21/42/501702142.db2.gz NROKTAIHGSYTQO-UNMCSNQZSA-N 1 3 372.557 3.197 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457447 501702144 /nfs/dbraw/zinc/70/21/44/501702144.db2.gz NROKTAIHGSYTQO-UNMCSNQZSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459777020 501712559 /nfs/dbraw/zinc/71/25/59/501712559.db2.gz RKGUVXJVQWIASA-GOSISDBHSA-N 1 3 369.553 3.468 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)N(C)C ZINC000477877161 501817155 /nfs/dbraw/zinc/81/71/55/501817155.db2.gz KLDXNRAYHALGPU-GHTZIAJQSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000481915507 501917660 /nfs/dbraw/zinc/91/76/60/501917660.db2.gz WIBKERMOANGJAM-OAHLLOKOSA-N 1 3 357.464 3.252 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1CCCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023132 501932865 /nfs/dbraw/zinc/93/28/65/501932865.db2.gz WCLBESKKHJAIEQ-QUCCMNQESA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000474729807 501936168 /nfs/dbraw/zinc/93/61/68/501936168.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 1 3 371.569 3.309 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000474729807 501936170 /nfs/dbraw/zinc/93/61/70/501936170.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 1 3 371.569 3.309 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066783 501945516 /nfs/dbraw/zinc/94/55/16/501945516.db2.gz YDQXNELUVFBGOR-ROUUACIJSA-N 1 3 370.541 3.030 20 0 FGADHO CC[C@]1(C)CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000468126175 501965665 /nfs/dbraw/zinc/96/56/65/501965665.db2.gz XMBUEJRJBIGTPO-JOCHJYFZSA-N 1 3 357.542 3.198 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)c2)CC1 ZINC000474831546 501966673 /nfs/dbraw/zinc/96/66/73/501966673.db2.gz LMLHAQNGKCLSFZ-OAQYLSRUSA-N 1 3 370.541 3.174 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000474831546 501966677 /nfs/dbraw/zinc/96/66/77/501966677.db2.gz LMLHAQNGKCLSFZ-OAQYLSRUSA-N 1 3 370.541 3.174 20 0 FGADHO CC1(C)Cc2occc2[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000482113428 501978800 /nfs/dbraw/zinc/97/88/00/501978800.db2.gz KOMFPDUZDVCPTI-FQEVSTJZSA-N 1 3 368.525 3.490 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1cc(N)ccc1F ZINC000482152686 501991122 /nfs/dbraw/zinc/99/11/22/501991122.db2.gz ACTQMKZUAQOGOO-QAPCUYQASA-N 1 3 364.509 3.227 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)CCN2CCc3ccccc3C2)c1 ZINC000471388687 502009184 /nfs/dbraw/zinc/00/91/84/502009184.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 1 3 365.521 3.203 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CCN2CCc3ccccc3C2)c1 ZINC000471388687 502009188 /nfs/dbraw/zinc/00/91/88/502009188.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 1 3 365.521 3.203 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000482250852 502021106 /nfs/dbraw/zinc/02/11/06/502021106.db2.gz VKWZSEYPFYHIPN-UHFFFAOYSA-N 1 3 354.494 3.284 20 0 FGADHO CN(C)[C@@H](CNC(=O)C[NH2+]C(C)(C)CCc1ccccc1)c1ccccc1 ZINC000475015443 502022050 /nfs/dbraw/zinc/02/20/50/502022050.db2.gz IFLFMWMPCJJLGM-NRFANRHFSA-N 1 3 367.537 3.407 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000468381400 502041672 /nfs/dbraw/zinc/04/16/72/502041672.db2.gz HHNWUPCYWNSUKH-UHFFFAOYSA-N 1 3 374.573 3.197 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000461728494 502182155 /nfs/dbraw/zinc/18/21/55/502182155.db2.gz PAHXAIKTLUXETE-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828810 502197234 /nfs/dbraw/zinc/19/72/34/502197234.db2.gz FCFMZGSBMSIKHC-PKOBYXMFSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828810 502197240 /nfs/dbraw/zinc/19/72/40/502197240.db2.gz FCFMZGSBMSIKHC-PKOBYXMFSA-N 1 3 363.933 3.358 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000479270116 502212258 /nfs/dbraw/zinc/21/22/58/502212258.db2.gz DNHIUCSLLVQOHH-LXZJYRNTSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000479270116 502212259 /nfs/dbraw/zinc/21/22/59/502212259.db2.gz DNHIUCSLLVQOHH-LXZJYRNTSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465532773 502292559 /nfs/dbraw/zinc/29/25/59/502292559.db2.gz GYGLQQWNSGKHDT-WOJBJXKFSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465604115 502323320 /nfs/dbraw/zinc/32/33/20/502323320.db2.gz ULESXYCBWJUPGX-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465633605 502332131 /nfs/dbraw/zinc/33/21/31/502332131.db2.gz PVIWRGQGHGWMEU-HXUWFJFHSA-N 1 3 372.557 3.168 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000472457340 502357481 /nfs/dbraw/zinc/35/74/81/502357481.db2.gz RGJBETOJKBQKAK-MRXNPFEDSA-N 1 3 368.953 3.144 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000469434694 502416035 /nfs/dbraw/zinc/41/60/35/502416035.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000469434694 502416039 /nfs/dbraw/zinc/41/60/39/502416039.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 1 3 372.557 3.069 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)N(C)C)cc1 ZINC000483513099 502417567 /nfs/dbraw/zinc/41/75/67/502417567.db2.gz BGNYTCRBNQEHQL-YYWHXJBOSA-N 1 3 374.573 3.366 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)N(C)C)cc1 ZINC000483513099 502417571 /nfs/dbraw/zinc/41/75/71/502417571.db2.gz BGNYTCRBNQEHQL-YYWHXJBOSA-N 1 3 374.573 3.366 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466033976 502460924 /nfs/dbraw/zinc/46/09/24/502460924.db2.gz DPMZHCZMIKTJNN-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000462508367 502469891 /nfs/dbraw/zinc/46/98/91/502469891.db2.gz VWIQPWGRWKQDTB-IBGZPJMESA-N 1 3 352.526 3.458 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000462508367 502469897 /nfs/dbraw/zinc/46/98/97/502469897.db2.gz VWIQPWGRWKQDTB-IBGZPJMESA-N 1 3 352.526 3.458 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000462535420 502478754 /nfs/dbraw/zinc/47/87/54/502478754.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000462535420 502478758 /nfs/dbraw/zinc/47/87/58/502478758.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000466103100 502479023 /nfs/dbraw/zinc/47/90/23/502479023.db2.gz VNUOSNHRLLYPDL-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000476403965 502480655 /nfs/dbraw/zinc/48/06/55/502480655.db2.gz HEDLVLBPTYDESE-OAQYLSRUSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000476480491 502500858 /nfs/dbraw/zinc/50/08/58/502500858.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000476480491 502500859 /nfs/dbraw/zinc/50/08/59/502500859.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000466420694 502566297 /nfs/dbraw/zinc/56/62/97/502566297.db2.gz FFWUPAWILGUKEZ-FQEVSTJZSA-N 1 3 359.558 3.107 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000466420695 502566419 /nfs/dbraw/zinc/56/64/19/502566419.db2.gz FFWUPAWILGUKEZ-HXUWFJFHSA-N 1 3 359.558 3.107 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965684 502582783 /nfs/dbraw/zinc/58/27/83/502582783.db2.gz WWBQYHOVNDEQSF-FHLIZLRMSA-N 1 3 351.922 3.037 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965684 502582785 /nfs/dbraw/zinc/58/27/85/502582785.db2.gz WWBQYHOVNDEQSF-FHLIZLRMSA-N 1 3 351.922 3.037 20 0 FGADHO COc1cccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc2)c1 ZINC000484183079 502595159 /nfs/dbraw/zinc/59/51/59/502595159.db2.gz YZSBQIQRZPEARE-NRFANRHFSA-N 1 3 354.494 3.025 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000484433062 502642871 /nfs/dbraw/zinc/64/28/71/502642871.db2.gz AHQUNCVRDNCIEK-XLIONFOSSA-N 1 3 372.557 3.212 20 0 FGADHO COC1CC([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)C1 ZINC000470106886 502663027 /nfs/dbraw/zinc/66/30/27/502663027.db2.gz WRBNDXVWKVRMFN-UHFFFAOYSA-N 1 3 365.521 3.276 20 0 FGADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000488421483 502710961 /nfs/dbraw/zinc/71/09/61/502710961.db2.gz RRAQBUNSNQBRBA-IBGZPJMESA-N 1 3 359.558 3.396 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000477248669 502718983 /nfs/dbraw/zinc/71/89/83/502718983.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000477248669 502718987 /nfs/dbraw/zinc/71/89/87/502718987.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000470366031 502751563 /nfs/dbraw/zinc/75/15/63/502751563.db2.gz BGIQVTRBJSTEMK-QFBILLFUSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000470366031 502751567 /nfs/dbraw/zinc/75/15/67/502751567.db2.gz BGIQVTRBJSTEMK-QFBILLFUSA-N 1 3 355.507 3.164 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000481180067 502774237 /nfs/dbraw/zinc/77/42/37/502774237.db2.gz LDGHFWAHECAAQZ-LRXVAGHRSA-N 1 3 371.569 3.490 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc2c(c1)CNC2 ZINC000470464177 502784913 /nfs/dbraw/zinc/78/49/13/502784913.db2.gz GEFCNHKYAQKOAO-IAGOWNOFSA-N 1 3 363.505 3.176 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984287 502793658 /nfs/dbraw/zinc/79/36/58/502793658.db2.gz CHEUNDGWSJBUNY-VPWXQRGCSA-N 1 3 357.523 3.013 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000470531408 502806517 /nfs/dbraw/zinc/80/65/17/502806517.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000470531408 502806521 /nfs/dbraw/zinc/80/65/21/502806521.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504877568 502817747 /nfs/dbraw/zinc/81/77/47/502817747.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504877568 502817749 /nfs/dbraw/zinc/81/77/49/502817749.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968425 502849367 /nfs/dbraw/zinc/84/93/67/502849367.db2.gz CVSZNAWSXGYUQV-IBGZPJMESA-N 1 3 360.546 3.091 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968425 502849373 /nfs/dbraw/zinc/84/93/73/502849373.db2.gz CVSZNAWSXGYUQV-IBGZPJMESA-N 1 3 360.546 3.091 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000513384227 502921513 /nfs/dbraw/zinc/92/15/13/502921513.db2.gz NNOGJNBWZDMICE-TZIWHRDSSA-N 1 3 374.573 3.081 20 0 FGADHO CC(C)C[C@H](C)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066160 502925986 /nfs/dbraw/zinc/92/59/86/502925986.db2.gz BJZAICHWTDAZDF-SFHVURJKSA-N 1 3 360.546 3.123 20 0 FGADHO COc1ccccc1CCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000505555132 502934530 /nfs/dbraw/zinc/93/45/30/502934530.db2.gz IKCYOUJIOCEXRF-KDURUIRLSA-N 1 3 360.542 3.449 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)N2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513486732 502950092 /nfs/dbraw/zinc/95/00/92/502950092.db2.gz WZSYLDYAQGJMOX-PZJWPPBQSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)N2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513486732 502950097 /nfs/dbraw/zinc/95/00/97/502950097.db2.gz WZSYLDYAQGJMOX-PZJWPPBQSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)N2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513486733 502950115 /nfs/dbraw/zinc/95/01/15/502950115.db2.gz WZSYLDYAQGJMOX-TZIWHRDSSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)N2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513486733 502950118 /nfs/dbraw/zinc/95/01/18/502950118.db2.gz WZSYLDYAQGJMOX-TZIWHRDSSA-N 1 3 357.542 3.422 20 0 FGADHO CC(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000501186634 502955527 /nfs/dbraw/zinc/95/55/27/502955527.db2.gz KGISGEJGCBUPKG-NHCUHLMSSA-N 1 3 374.573 3.345 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)Cc1ccccc1 ZINC000501195909 502957028 /nfs/dbraw/zinc/95/70/28/502957028.db2.gz DGTIGNFPCJFHKH-PZJWPPBQSA-N 1 3 374.573 3.113 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000513613915 502980429 /nfs/dbraw/zinc/98/04/29/502980429.db2.gz UXXYXFZUJVTATP-FGZHOGPDSA-N 1 3 365.521 3.356 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765673 502981293 /nfs/dbraw/zinc/98/12/93/502981293.db2.gz KTDQIBVHJOQPAD-LJQANCHMSA-N 1 3 363.571 3.038 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765673 502981297 /nfs/dbraw/zinc/98/12/97/502981297.db2.gz KTDQIBVHJOQPAD-LJQANCHMSA-N 1 3 363.571 3.038 20 0 FGADHO CC[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)N1CCc2ccccc2C1 ZINC000501361275 502992574 /nfs/dbraw/zinc/99/25/74/502992574.db2.gz OQUFXQCZLJXABV-LEWJYISDSA-N 1 3 374.573 3.099 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489588578 502992832 /nfs/dbraw/zinc/99/28/32/502992832.db2.gz HCUCZMXUYLTCIF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489588578 502992834 /nfs/dbraw/zinc/99/28/34/502992834.db2.gz HCUCZMXUYLTCIF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490167 503019393 /nfs/dbraw/zinc/01/93/93/503019393.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490167 503019396 /nfs/dbraw/zinc/01/93/96/503019396.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490164 503019436 /nfs/dbraw/zinc/01/94/36/503019436.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490164 503019442 /nfs/dbraw/zinc/01/94/42/503019442.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501488890 503019568 /nfs/dbraw/zinc/01/95/68/503019568.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501488890 503019571 /nfs/dbraw/zinc/01/95/71/503019571.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 1 3 366.594 3.307 20 0 FGADHO Cn1ccnc1COc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000489765049 503028677 /nfs/dbraw/zinc/02/86/77/503028677.db2.gz HQQAZJJFQVINQF-UHFFFAOYSA-N 1 3 356.514 3.340 20 0 FGADHO Cn1ccnc1COc1ccc(C[N@H+](CCCN)CC2CCCC2)cc1 ZINC000489765049 503028681 /nfs/dbraw/zinc/02/86/81/503028681.db2.gz HQQAZJJFQVINQF-UHFFFAOYSA-N 1 3 356.514 3.340 20 0 FGADHO Cn1ccnc1COc1ccc(C[N@@H+](CCCN)CC2CCCC2)cc1 ZINC000489765049 503028684 /nfs/dbraw/zinc/02/86/84/503028684.db2.gz HQQAZJJFQVINQF-UHFFFAOYSA-N 1 3 356.514 3.340 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000501548617 503034313 /nfs/dbraw/zinc/03/43/13/503034313.db2.gz ZPJQUTFCAUIHRI-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000501548617 503034317 /nfs/dbraw/zinc/03/43/17/503034317.db2.gz ZPJQUTFCAUIHRI-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000513891552 503043308 /nfs/dbraw/zinc/04/33/08/503043308.db2.gz ITOIZZQYKRYKHR-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000513891552 503043311 /nfs/dbraw/zinc/04/33/11/503043311.db2.gz ITOIZZQYKRYKHR-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccco1 ZINC000497851866 503055042 /nfs/dbraw/zinc/05/50/42/503055042.db2.gz HESXGTMEXCKBHM-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1CC)c1ccco1 ZINC000497851866 503055048 /nfs/dbraw/zinc/05/50/48/503055048.db2.gz HESXGTMEXCKBHM-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CC(C)[NH+]1CCC(N(C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000514008578 503067265 /nfs/dbraw/zinc/06/72/65/503067265.db2.gz MWKTZFMKRXDDNZ-UHFFFAOYSA-N 1 3 351.922 3.151 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000501763557 503075008 /nfs/dbraw/zinc/07/50/08/503075008.db2.gz FUVRTEDCOADHPR-GOSISDBHSA-N 1 3 355.473 3.022 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093529 503085319 /nfs/dbraw/zinc/08/53/19/503085319.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093529 503085325 /nfs/dbraw/zinc/08/53/25/503085325.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093529 503085330 /nfs/dbraw/zinc/08/53/30/503085330.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326654 503092532 /nfs/dbraw/zinc/09/25/32/503092532.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326654 503092536 /nfs/dbraw/zinc/09/25/36/503092536.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 1 3 372.557 3.069 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501849692 503094200 /nfs/dbraw/zinc/09/42/00/503094200.db2.gz KSVYOSDNCOVULY-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942317 503112722 /nfs/dbraw/zinc/11/27/22/503112722.db2.gz LGSDSSUTSANQNF-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000502121709 503146987 /nfs/dbraw/zinc/14/69/87/503146987.db2.gz JVDDXPHDLWEGTI-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000506889822 503190444 /nfs/dbraw/zinc/19/04/44/503190444.db2.gz ITGWVCYGZWVDHY-QGZVFWFLSA-N 1 3 362.514 3.181 20 0 FGADHO C[NH+](C)CC1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000506946084 503198325 /nfs/dbraw/zinc/19/83/25/503198325.db2.gz QYDDYIYLDTVLDG-UHFFFAOYSA-N 1 3 365.315 3.499 20 0 FGADHO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221919 /nfs/dbraw/zinc/22/19/19/503221919.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 1 3 364.537 3.492 20 0 FGADHO CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221922 /nfs/dbraw/zinc/22/19/22/503221922.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 1 3 364.537 3.492 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCCCN12 ZINC000510999106 503233193 /nfs/dbraw/zinc/23/31/93/503233193.db2.gz ORCXAENYSFCWGU-TWGBQZSLSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCCCN12 ZINC000510999106 503233195 /nfs/dbraw/zinc/23/31/95/503233195.db2.gz ORCXAENYSFCWGU-TWGBQZSLSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H]2CCCCN12 ZINC000510999106 503233197 /nfs/dbraw/zinc/23/31/97/503233197.db2.gz ORCXAENYSFCWGU-TWGBQZSLSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832764 503233704 /nfs/dbraw/zinc/23/37/04/503233704.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832764 503233707 /nfs/dbraw/zinc/23/37/07/503233707.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 1 3 369.553 3.420 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243709 /nfs/dbraw/zinc/24/37/09/503243709.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243712 /nfs/dbraw/zinc/24/37/12/503243712.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502823002 503280799 /nfs/dbraw/zinc/28/07/99/503280799.db2.gz DCZACKZQKVPYBH-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502823002 503280803 /nfs/dbraw/zinc/28/08/03/503280803.db2.gz DCZACKZQKVPYBH-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000502874919 503296480 /nfs/dbraw/zinc/29/64/80/503296480.db2.gz BGZIRKZGESIJBI-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000502874919 503296482 /nfs/dbraw/zinc/29/64/82/503296482.db2.gz BGZIRKZGESIJBI-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO CC(=O)N1CC[C@@H](NCc2ccc(C[NH+](C)C)cc2)c2ccccc2C1 ZINC000491340962 503298352 /nfs/dbraw/zinc/29/83/52/503298352.db2.gz BFBYQLGUXAHMAX-JOCHJYFZSA-N 1 3 351.494 3.331 20 0 FGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000515254250 503303290 /nfs/dbraw/zinc/30/32/90/503303290.db2.gz OTHSQFSOIOFNEF-UHFFFAOYSA-N 1 3 358.486 3.265 20 0 FGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000515254250 503303293 /nfs/dbraw/zinc/30/32/93/503303293.db2.gz OTHSQFSOIOFNEF-UHFFFAOYSA-N 1 3 358.486 3.265 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000515291606 503308122 /nfs/dbraw/zinc/30/81/22/503308122.db2.gz BTSRQJDUZHOBOD-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318910 /nfs/dbraw/zinc/31/89/10/503318910.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 1 3 374.573 3.317 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318915 /nfs/dbraw/zinc/31/89/15/503318915.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 1 3 374.573 3.317 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322128 /nfs/dbraw/zinc/32/21/28/503322128.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322135 /nfs/dbraw/zinc/32/21/35/503322135.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502777 503333571 /nfs/dbraw/zinc/33/35/71/503333571.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502777 503333572 /nfs/dbraw/zinc/33/35/72/503333572.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 1 3 372.557 3.069 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499186083 503351850 /nfs/dbraw/zinc/35/18/50/503351850.db2.gz AEQXIPWEXTXHPS-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503360212 503394226 /nfs/dbraw/zinc/39/42/26/503394226.db2.gz GZYWXKHTYRWWSW-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503360212 503394230 /nfs/dbraw/zinc/39/42/30/503394230.db2.gz GZYWXKHTYRWWSW-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO C[C@@H](OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832089 503408764 /nfs/dbraw/zinc/40/87/64/503408764.db2.gz JCBUVNSPDMKEIH-VGBGELSPSA-N 1 3 366.933 3.383 20 0 FGADHO C[C@@H](OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832089 503408767 /nfs/dbraw/zinc/40/87/67/503408767.db2.gz JCBUVNSPDMKEIH-VGBGELSPSA-N 1 3 366.933 3.383 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441080 503409634 /nfs/dbraw/zinc/40/96/34/503409634.db2.gz GNKADKCINNDFBH-PMACEKPBSA-N 1 3 364.578 3.016 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccsc1 ZINC000508045954 503419353 /nfs/dbraw/zinc/41/93/53/503419353.db2.gz QEJIQASIKAYCQC-QGZVFWFLSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H](CNC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048580 503436953 /nfs/dbraw/zinc/43/69/53/503436953.db2.gz JYXQYACBBZHAEI-FUHIMQAGSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000516048580 503436960 /nfs/dbraw/zinc/43/69/60/503436960.db2.gz JYXQYACBBZHAEI-FUHIMQAGSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000503737404 503467194 /nfs/dbraw/zinc/46/71/94/503467194.db2.gz PEPXABHAGSMGPQ-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCCC[C@H]2C)CC1 ZINC000512158227 503472076 /nfs/dbraw/zinc/47/20/76/503472076.db2.gz BQWDVMGVOWGLAN-LJQANCHMSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1nc2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)cc2s1 ZINC000494193282 503501252 /nfs/dbraw/zinc/50/12/52/503501252.db2.gz YAYMPMXHWYTVPN-MOPGFXCFSA-N 1 3 359.539 3.462 20 0 FGADHO Cc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)sc1Br ZINC000512398650 503537141 /nfs/dbraw/zinc/53/71/41/503537141.db2.gz BWFZDJYPPJMADW-CYBMUJFWSA-N 1 3 374.392 3.496 20 0 FGADHO C[C@@H](N[C@@H](C)[C@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713412 503549865 /nfs/dbraw/zinc/54/98/65/503549865.db2.gz FTJPGKQVEJWJIM-CQIJRDABSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@@H](N[C@@H](C)[C@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713412 503549869 /nfs/dbraw/zinc/54/98/69/503549869.db2.gz FTJPGKQVEJWJIM-CQIJRDABSA-N 1 3 352.522 3.479 20 0 FGADHO O[C@@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC000516762022 503581836 /nfs/dbraw/zinc/58/18/36/503581836.db2.gz RLGFZDPDTUYMKH-JOCHJYFZSA-N 1 3 359.558 3.120 20 0 FGADHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000494644643 503582145 /nfs/dbraw/zinc/58/21/45/503582145.db2.gz DBOJAQGPZBBZGC-UJKMTWAASA-N 1 3 358.526 3.092 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)N(C)C ZINC000508903527 503596343 /nfs/dbraw/zinc/59/63/43/503596343.db2.gz YDGZWBFEGBKEGF-YHELAOLJSA-N 1 3 372.557 3.254 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@@H](C)C1 ZINC000508917608 503599427 /nfs/dbraw/zinc/59/94/27/503599427.db2.gz IBRNPKMCUWFOED-YHELAOLJSA-N 1 3 374.573 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@@H](C)C1 ZINC000508917608 503599433 /nfs/dbraw/zinc/59/94/33/503599433.db2.gz IBRNPKMCUWFOED-YHELAOLJSA-N 1 3 374.573 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N(C)C ZINC000508923807 503601365 /nfs/dbraw/zinc/60/13/65/503601365.db2.gz OLEOIPZWUMHFKC-ZSXPUABSSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N(C)C ZINC000508923807 503601367 /nfs/dbraw/zinc/60/13/67/503601367.db2.gz OLEOIPZWUMHFKC-ZSXPUABSSA-N 1 3 372.557 3.112 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746786 503603145 /nfs/dbraw/zinc/60/31/45/503603145.db2.gz QMLNJCPQVDVBDE-OOMBGRCJSA-N 1 3 366.505 3.091 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c4cc(Cl)ccc34)CC2)CC1 ZINC000588926644 506383361 /nfs/dbraw/zinc/38/33/61/506383361.db2.gz NGDXSCPLORVOGO-UHFFFAOYSA-N 1 3 374.916 3.110 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCCN3C)c2)CC1 ZINC000536722931 503696347 /nfs/dbraw/zinc/69/63/47/503696347.db2.gz WLASMLCRDYZKFY-HXUWFJFHSA-N 1 3 358.530 3.177 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000540175442 503696843 /nfs/dbraw/zinc/69/68/43/503696843.db2.gz IKCNHYWQMLTHSM-YADHBBJMSA-N 1 3 365.521 3.404 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533051059 503713790 /nfs/dbraw/zinc/71/37/90/503713790.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533051059 503713786 /nfs/dbraw/zinc/71/37/86/503713786.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000536846548 503738966 /nfs/dbraw/zinc/73/89/66/503738966.db2.gz PORUJNRALZZJIR-NJYVYQBISA-N 1 3 358.526 3.485 20 0 FGADHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000533181471 503751207 /nfs/dbraw/zinc/75/12/07/503751207.db2.gz CXZADTHSHVTOKL-GOSISDBHSA-N 1 3 374.529 3.015 20 0 FGADHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000533181471 503751212 /nfs/dbraw/zinc/75/12/12/503751212.db2.gz CXZADTHSHVTOKL-GOSISDBHSA-N 1 3 374.529 3.015 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(=O)OCC)CCC2)CC1 ZINC000543414251 503760936 /nfs/dbraw/zinc/76/09/36/503760936.db2.gz TYTCPZZSELXVCX-UHFFFAOYSA-N 1 3 373.541 3.042 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000543433080 503767628 /nfs/dbraw/zinc/76/76/28/503767628.db2.gz SYXZPLWIRPTJOE-ZDUSSCGKSA-N 1 3 355.910 3.386 20 0 FGADHO COC[C@H](C)C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000527366336 503779071 /nfs/dbraw/zinc/77/90/71/503779071.db2.gz BSEGDCCXSFOMOR-HXUWFJFHSA-N 1 3 367.537 3.381 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795732 /nfs/dbraw/zinc/79/57/32/503795732.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795735 /nfs/dbraw/zinc/79/57/35/503795735.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)N(C)C ZINC000527492137 503810213 /nfs/dbraw/zinc/81/02/13/503810213.db2.gz JXVYZCYXNFHMBP-DYESRHJHSA-N 1 3 354.498 3.024 20 0 FGADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N1CCCCC1 ZINC000517812459 503842948 /nfs/dbraw/zinc/84/29/48/503842948.db2.gz XRWRZCVCVDELNE-NHCUHLMSSA-N 1 3 363.590 3.467 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000517932373 503869269 /nfs/dbraw/zinc/86/92/69/503869269.db2.gz JYMBZNJUPAVVJP-NRFANRHFSA-N 1 3 372.557 3.012 20 0 FGADHO COc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000530248828 503894158 /nfs/dbraw/zinc/89/41/58/503894158.db2.gz QADWRGKINKMVQQ-IBGZPJMESA-N 1 3 362.514 3.073 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963319 /nfs/dbraw/zinc/96/33/19/503963319.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 1 3 370.541 3.138 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963323 /nfs/dbraw/zinc/96/33/23/503963323.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 1 3 370.541 3.138 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986797 504009857 /nfs/dbraw/zinc/00/98/57/504009857.db2.gz VISIPKMMKBLGGP-NHCUHLMSSA-N 1 3 370.541 3.092 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCN1c1cccnn1 ZINC000530619091 504028432 /nfs/dbraw/zinc/02/84/32/504028432.db2.gz XUZSEGJJTKRUIE-FQEVSTJZSA-N 1 3 367.541 3.193 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCCN1c1cccnn1 ZINC000530619091 504028435 /nfs/dbraw/zinc/02/84/35/504028435.db2.gz XUZSEGJJTKRUIE-FQEVSTJZSA-N 1 3 367.541 3.193 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963508 504103942 /nfs/dbraw/zinc/10/39/42/504103942.db2.gz AQBOOJGMZNMJCW-GGAORHGYSA-N 1 3 368.521 3.293 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963508 504103946 /nfs/dbraw/zinc/10/39/46/504103946.db2.gz AQBOOJGMZNMJCW-GGAORHGYSA-N 1 3 368.521 3.293 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000541509906 504155213 /nfs/dbraw/zinc/15/52/13/504155213.db2.gz QLFUSQIZPZQTQD-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO CN(CCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000547658485 504171265 /nfs/dbraw/zinc/17/12/65/504171265.db2.gz XRJPZHZREFECEJ-QFIPXVFZSA-N 1 3 366.509 3.079 20 0 FGADHO CN(CCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000547658485 504171271 /nfs/dbraw/zinc/17/12/71/504171271.db2.gz XRJPZHZREFECEJ-QFIPXVFZSA-N 1 3 366.509 3.079 20 0 FGADHO COc1cc(C)nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000534551187 504172385 /nfs/dbraw/zinc/17/23/85/504172385.db2.gz FGUZYQKJMSLYIE-UHFFFAOYSA-N 1 3 374.573 3.027 20 0 FGADHO CC[C@H]1CCCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285581 504183019 /nfs/dbraw/zinc/18/30/19/504183019.db2.gz BNWLPQOXRMNPJM-FQEVSTJZSA-N 1 3 357.542 3.151 20 0 FGADHO CC[C@H]1CCC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285581 504183025 /nfs/dbraw/zinc/18/30/25/504183025.db2.gz BNWLPQOXRMNPJM-FQEVSTJZSA-N 1 3 357.542 3.151 20 0 FGADHO CC[C@H]1CCC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285581 504183032 /nfs/dbraw/zinc/18/30/32/504183032.db2.gz BNWLPQOXRMNPJM-FQEVSTJZSA-N 1 3 357.542 3.151 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000519294376 504184647 /nfs/dbraw/zinc/18/46/47/504184647.db2.gz UIOGCCROVJZGIT-IBGZPJMESA-N 1 3 366.594 3.260 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000519294376 504184650 /nfs/dbraw/zinc/18/46/50/504184650.db2.gz UIOGCCROVJZGIT-IBGZPJMESA-N 1 3 366.594 3.260 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304470 504198297 /nfs/dbraw/zinc/19/82/97/504198297.db2.gz IBMVRSRBVNOISN-HXUWFJFHSA-N 1 3 356.514 3.020 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000519370628 504204397 /nfs/dbraw/zinc/20/43/97/504204397.db2.gz NDDBGZLSRHPWGS-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000519388435 504209952 /nfs/dbraw/zinc/20/99/52/504209952.db2.gz MWJTUCONKBNLMC-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccn(C)n1 ZINC000541745530 504241428 /nfs/dbraw/zinc/24/14/28/504241428.db2.gz MEUDWQCRGXELSF-NRFANRHFSA-N 1 3 369.557 3.372 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1cnc2ccsc2c1)C(=O)NCC[NH+](C)C ZINC000538545663 504279922 /nfs/dbraw/zinc/27/99/22/504279922.db2.gz XXELZBKZSIRJEY-YOEHRIQHSA-N 1 3 362.543 3.039 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000531380850 504287780 /nfs/dbraw/zinc/28/77/80/504287780.db2.gz JQIWSIWFLVXAEA-MQVJKMGUSA-N 1 3 372.465 3.333 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000531380850 504287785 /nfs/dbraw/zinc/28/77/85/504287785.db2.gz JQIWSIWFLVXAEA-MQVJKMGUSA-N 1 3 372.465 3.333 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000531406008 504295731 /nfs/dbraw/zinc/29/57/31/504295731.db2.gz YVJGYQDDBNFVTA-UHFFFAOYSA-N 1 3 359.558 3.383 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000528659702 504318164 /nfs/dbraw/zinc/31/81/64/504318164.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 1 3 371.569 3.380 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000528659702 504318169 /nfs/dbraw/zinc/31/81/69/504318169.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 1 3 371.569 3.380 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749646 504356468 /nfs/dbraw/zinc/35/64/68/504356468.db2.gz YYPRSGXKWXUVOY-HXUWFJFHSA-N 1 3 356.514 3.318 20 0 FGADHO CC[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000538880695 504403842 /nfs/dbraw/zinc/40/38/42/504403842.db2.gz NZQZUPUEBFVGKR-FQEVSTJZSA-N 1 3 360.546 3.267 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723896 504405185 /nfs/dbraw/zinc/40/51/85/504405185.db2.gz RDYYEUNVSRQPNF-UHIISALHSA-N 1 3 364.843 3.484 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723896 504405188 /nfs/dbraw/zinc/40/51/88/504405188.db2.gz RDYYEUNVSRQPNF-UHIISALHSA-N 1 3 364.843 3.484 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450690 504494385 /nfs/dbraw/zinc/49/43/85/504494385.db2.gz IEWXRZYOQVAHIX-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531983912 504494511 /nfs/dbraw/zinc/49/45/11/504494511.db2.gz MHFDNTVTDPZNJY-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531983912 504494517 /nfs/dbraw/zinc/49/45/17/504494517.db2.gz MHFDNTVTDPZNJY-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000542464885 504500474 /nfs/dbraw/zinc/50/04/74/504500474.db2.gz NFYNHMSBNLYEIV-UHFFFAOYSA-N 1 3 362.543 3.257 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307067 504525340 /nfs/dbraw/zinc/52/53/40/504525340.db2.gz NVZZJYNAJCQIAS-CRAIPNDOSA-N 1 3 351.922 3.169 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639558 504547075 /nfs/dbraw/zinc/54/70/75/504547075.db2.gz FTRFCJOCIZHNFB-AZUAARDMSA-N 1 3 366.509 3.361 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639558 504547083 /nfs/dbraw/zinc/54/70/83/504547083.db2.gz FTRFCJOCIZHNFB-AZUAARDMSA-N 1 3 366.509 3.361 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218682 504576488 /nfs/dbraw/zinc/57/64/88/504576488.db2.gz JKZQOIIHUCBIFA-CHWSQXEVSA-N 1 3 356.308 3.096 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000532270290 504592310 /nfs/dbraw/zinc/59/23/10/504592310.db2.gz ZQHFRTXPAKVNKP-FQEVSTJZSA-N 1 3 357.542 3.410 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530704 504683194 /nfs/dbraw/zinc/68/31/94/504683194.db2.gz GNEZEUKLMFFHSW-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530704 504683198 /nfs/dbraw/zinc/68/31/98/504683198.db2.gz GNEZEUKLMFFHSW-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000532531841 504684813 /nfs/dbraw/zinc/68/48/13/504684813.db2.gz UDKDNTGUFRKMEK-MRXNPFEDSA-N 1 3 374.447 3.199 20 0 FGADHO O[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)CN1CCCC1 ZINC000546163979 504731084 /nfs/dbraw/zinc/73/10/84/504731084.db2.gz UWECTDPGXUTHOZ-VQTJNVASSA-N 1 3 359.901 3.065 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899338 504735078 /nfs/dbraw/zinc/73/50/78/504735078.db2.gz DRFQOPILYOGUIM-PZJWPPBQSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899338 504735082 /nfs/dbraw/zinc/73/50/82/504735082.db2.gz DRFQOPILYOGUIM-PZJWPPBQSA-N 1 3 371.569 3.466 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351291 504862720 /nfs/dbraw/zinc/86/27/20/504862720.db2.gz FGNDGWLUWMAXID-ICSRJNTNSA-N 1 3 374.916 3.448 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892119 /nfs/dbraw/zinc/89/21/19/504892119.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892121 /nfs/dbraw/zinc/89/21/21/504892121.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 1 3 357.542 3.374 20 0 FGADHO CCC[C@]1(NCc2cncc(C[NH2+][C@@]3(CCC)CCOC3)c2)CCOC1 ZINC000562706112 504915864 /nfs/dbraw/zinc/91/58/64/504915864.db2.gz BLIQEFMCPUMVKQ-SFTDATJTSA-N 1 3 361.530 3.179 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000559896616 504946748 /nfs/dbraw/zinc/94/67/48/504946748.db2.gz VSQNTSUCPFFDCD-BBTUJRGHSA-N 1 3 355.530 3.324 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000565668806 504954328 /nfs/dbraw/zinc/95/43/28/504954328.db2.gz DGQRMEMJUACTCM-GOSISDBHSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705067 504964052 /nfs/dbraw/zinc/96/40/52/504964052.db2.gz FULKMLNGRYOQQU-MSOLQXFVSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705067 504964056 /nfs/dbraw/zinc/96/40/56/504964056.db2.gz FULKMLNGRYOQQU-MSOLQXFVSA-N 1 3 370.541 3.451 20 0 FGADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939785 504994736 /nfs/dbraw/zinc/99/47/36/504994736.db2.gz WFNMNRHTTPEQFK-JFZIVLOISA-N 1 3 369.553 3.168 20 0 FGADHO C[C@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046618 505032327 /nfs/dbraw/zinc/03/23/27/505032327.db2.gz CDBJQLSIYQJFCF-IFMALSPDSA-N 1 3 371.569 3.179 20 0 FGADHO CC[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCc2ccccc2C1 ZINC000563093016 505045621 /nfs/dbraw/zinc/04/56/21/505045621.db2.gz WLALNQKDLGDIGT-MWQHXSLNSA-N 1 3 369.553 3.093 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000563097732 505046762 /nfs/dbraw/zinc/04/67/62/505046762.db2.gz CBOHPVOGILIIDG-HXUWFJFHSA-N 1 3 371.912 3.061 20 0 FGADHO COc1nc2ccccc2cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000560327714 505047027 /nfs/dbraw/zinc/04/70/27/505047027.db2.gz MZDOHLUNXNGGPT-IAGOWNOFSA-N 1 3 357.498 3.222 20 0 FGADHO CN(CCCN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C)Cc1ccncc1 ZINC000563262478 505090944 /nfs/dbraw/zinc/09/09/44/505090944.db2.gz OIBNVPHPEHVHSQ-OAQYLSRUSA-N 1 3 368.525 3.055 20 0 FGADHO CN1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185390 505106744 /nfs/dbraw/zinc/10/67/44/505106744.db2.gz BOLZCCGXIVGVRC-LQWHRVPQSA-N 1 3 371.550 3.207 20 0 FGADHO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000560521587 505113083 /nfs/dbraw/zinc/11/30/83/505113083.db2.gz VZKCIKQXCAQOAT-PYCJISIWSA-N 1 3 369.553 3.311 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NCC(C)(C)C(N)=O)c2ccc(F)cc2)CC1 ZINC000550940476 505126900 /nfs/dbraw/zinc/12/69/00/505126900.db2.gz OOTOJAOJXBLGIO-LJQANCHMSA-N 1 3 363.521 3.480 20 0 FGADHO CC(C)OC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000560598968 505139359 /nfs/dbraw/zinc/13/93/59/505139359.db2.gz ZPGMPEFYOGWZJV-ITAUSPCMSA-N 1 3 372.553 3.461 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000557481639 505146772 /nfs/dbraw/zinc/14/67/72/505146772.db2.gz OYMOSNYZTOXRHJ-UHFFFAOYSA-N 1 3 373.585 3.268 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)CC1 ZINC000566431002 505174289 /nfs/dbraw/zinc/17/42/89/505174289.db2.gz BXSNCEPGWFVNSR-UHFFFAOYSA-N 1 3 359.514 3.138 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449228 505176655 /nfs/dbraw/zinc/17/66/55/505176655.db2.gz FHVSBCBUGUPBNO-UXHICEINSA-N 1 3 372.488 3.031 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000557615658 505183190 /nfs/dbraw/zinc/18/31/90/505183190.db2.gz WJUSPGQNIVYEQN-QFUCXCTJSA-N 1 3 361.574 3.362 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483718 505187358 /nfs/dbraw/zinc/18/73/58/505187358.db2.gz WKRKSBRLYRTPKA-NEPJUHHUSA-N 1 3 351.800 3.382 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483718 505187360 /nfs/dbraw/zinc/18/73/60/505187360.db2.gz WKRKSBRLYRTPKA-NEPJUHHUSA-N 1 3 351.800 3.382 20 0 FGADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549627 505204450 /nfs/dbraw/zinc/20/44/50/505204450.db2.gz FACCCIHTLNBWAQ-JQHSSLGASA-N 1 3 355.448 3.123 20 0 FGADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554549627 505204453 /nfs/dbraw/zinc/20/44/53/505204453.db2.gz FACCCIHTLNBWAQ-JQHSSLGASA-N 1 3 355.448 3.123 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCCC[NH+]2CCCC2)cc1 ZINC000563671186 505206615 /nfs/dbraw/zinc/20/66/15/505206615.db2.gz QZTHEOARTGWAOD-GOSISDBHSA-N 1 3 352.544 3.013 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCC4)cc2)CC1 ZINC000560887116 505207299 /nfs/dbraw/zinc/20/72/99/505207299.db2.gz VYCLTFJSGWSMRB-HXUWFJFHSA-N 1 3 355.526 3.196 20 0 FGADHO C[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000566968293 505326406 /nfs/dbraw/zinc/32/64/06/505326406.db2.gz MPPVMWMAJVZXNX-ZYSHUDEJSA-N 1 3 353.514 3.334 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555133778 505359601 /nfs/dbraw/zinc/35/96/01/505359601.db2.gz WRJBKCHFCCTJRF-MAUKXSAKSA-N 1 3 366.937 3.116 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000555148161 505363922 /nfs/dbraw/zinc/36/39/22/505363922.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000555148161 505363925 /nfs/dbraw/zinc/36/39/25/505363925.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367730 /nfs/dbraw/zinc/36/77/30/505367730.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367734 /nfs/dbraw/zinc/36/77/34/505367734.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 1 3 374.573 3.459 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000564315829 505380682 /nfs/dbraw/zinc/38/06/82/505380682.db2.gz XEMYOIWHDSYPRS-UHFFFAOYSA-N 1 3 358.482 3.493 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046302 505381038 /nfs/dbraw/zinc/38/10/38/505381038.db2.gz CNHQZIWMXPLLQJ-MJUUVYJYSA-N 1 3 358.526 3.373 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555213823 505381256 /nfs/dbraw/zinc/38/12/56/505381256.db2.gz CAACIAMSRVPZFK-FQEVSTJZSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213823 505381262 /nfs/dbraw/zinc/38/12/62/505381262.db2.gz CAACIAMSRVPZFK-FQEVSTJZSA-N 1 3 374.573 3.269 20 0 FGADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552047642 505381322 /nfs/dbraw/zinc/38/13/22/505381322.db2.gz TWXVVTVUEWKMHB-OFOKGCAXSA-N 1 3 362.583 3.379 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000558592234 505432840 /nfs/dbraw/zinc/43/28/40/505432840.db2.gz KSLWGKUATMOJGB-HNNXBMFYSA-N 1 3 373.463 3.151 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345827 505436349 /nfs/dbraw/zinc/43/63/49/505436349.db2.gz VOCQIAQQIXZZAV-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345827 505436351 /nfs/dbraw/zinc/43/63/51/505436351.db2.gz VOCQIAQQIXZZAV-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000567345827 505436353 /nfs/dbraw/zinc/43/63/53/505436353.db2.gz VOCQIAQQIXZZAV-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552250873 505440729 /nfs/dbraw/zinc/44/07/29/505440729.db2.gz DHWGHFHNDAPSNQ-BXXSPATCSA-N 1 3 374.569 3.300 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@H](C)O1 ZINC000555530029 505447797 /nfs/dbraw/zinc/44/77/97/505447797.db2.gz JSWZCJOOXKIIHS-ROUUACIJSA-N 1 3 357.498 3.244 20 0 FGADHO NC[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000564553570 505451133 /nfs/dbraw/zinc/45/11/33/505451133.db2.gz VMYKSJLEQJKPHS-OAQYLSRUSA-N 1 3 366.509 3.013 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000567418721 505456972 /nfs/dbraw/zinc/45/69/72/505456972.db2.gz CMNPDIDBFMYYNO-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492572 505479559 /nfs/dbraw/zinc/47/95/59/505479559.db2.gz GBGHYHMGPVFCDU-RDJZCZTQSA-N 1 3 359.905 3.351 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000567532282 505490138 /nfs/dbraw/zinc/49/01/38/505490138.db2.gz RQSDHJFKDXVQJS-ZJOUEHCJSA-N 1 3 364.493 3.296 20 0 FGADHO O[C@@H](CNCCC[NH+]1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437548 505491734 /nfs/dbraw/zinc/49/17/34/505491734.db2.gz JPLHWWKYUNKYCN-SFHVURJKSA-N 1 3 351.494 3.231 20 0 FGADHO O[C@@H](C[NH2+]CCCN1CCCC1)Cn1c2ccccc2c2ccccc21 ZINC000552437548 505491738 /nfs/dbraw/zinc/49/17/38/505491738.db2.gz JPLHWWKYUNKYCN-SFHVURJKSA-N 1 3 351.494 3.231 20 0 FGADHO c1cn(-c2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641534 505522265 /nfs/dbraw/zinc/52/22/65/505522265.db2.gz LWKVERPILOSKPS-RBBKRZOGSA-N 1 3 360.461 3.218 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120520 505523556 /nfs/dbraw/zinc/52/35/56/505523556.db2.gz MCZPZJNVLUPVEZ-BGYRXZFFSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908675 505527297 /nfs/dbraw/zinc/52/72/97/505527297.db2.gz TWEUNVAHAJHGKO-PBHICJAKSA-N 1 3 368.953 3.218 20 0 FGADHO O=C1c2ccccc2C(=O)N1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000582852712 506456158 /nfs/dbraw/zinc/45/61/58/506456158.db2.gz LQVHEWGWLOJQQP-UHFFFAOYSA-N 1 3 369.509 3.059 20 0 FGADHO O=C1c2ccccc2C(=O)N1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000582852712 506456166 /nfs/dbraw/zinc/45/61/66/506456166.db2.gz LQVHEWGWLOJQQP-UHFFFAOYSA-N 1 3 369.509 3.059 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)CC1 ZINC000583033581 506552337 /nfs/dbraw/zinc/55/23/37/506552337.db2.gz HUCITQTVQICCAN-YZGWKJHDSA-N 1 3 361.574 3.268 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589644942 506617056 /nfs/dbraw/zinc/61/70/56/506617056.db2.gz LQSXFGUVWYTWTK-UHFFFAOYSA-N 1 3 363.509 3.255 20 0 FGADHO CCc1ccc([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000589947346 506685504 /nfs/dbraw/zinc/68/55/04/506685504.db2.gz AWJMMGZTZAPJEW-QGZVFWFLSA-N 1 3 357.542 3.027 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112284 506718582 /nfs/dbraw/zinc/71/85/82/506718582.db2.gz SMQCXFBCEHBARD-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ncncc1[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000583332749 506722155 /nfs/dbraw/zinc/72/21/55/506722155.db2.gz SEHFPEFYCPLMAA-LJQANCHMSA-N 1 3 367.541 3.034 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCCC1 ZINC000604158158 506729353 /nfs/dbraw/zinc/72/93/53/506729353.db2.gz VUXIAQGNNOZSTQ-FQEVSTJZSA-N 1 3 372.557 3.387 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccco1 ZINC000583385014 506750324 /nfs/dbraw/zinc/75/03/24/506750324.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 1 3 361.530 3.215 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccco1 ZINC000583385014 506750327 /nfs/dbraw/zinc/75/03/27/506750327.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 1 3 361.530 3.215 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604204384 506752937 /nfs/dbraw/zinc/75/29/37/506752937.db2.gz FTQVUYCSVPAHOW-OAQYLSRUSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604204384 506752944 /nfs/dbraw/zinc/75/29/44/506752944.db2.gz FTQVUYCSVPAHOW-OAQYLSRUSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565149 506852093 /nfs/dbraw/zinc/85/20/93/506852093.db2.gz SJEAYWKSAJPRDV-KLDKWKSESA-N 1 3 369.553 3.063 20 0 FGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000583625871 506884268 /nfs/dbraw/zinc/88/42/68/506884268.db2.gz QHZLCAJAYMFNDT-OLZOCXBDSA-N 1 3 370.526 3.163 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000583696138 506921872 /nfs/dbraw/zinc/92/18/72/506921872.db2.gz GPRZJARIACDZFS-KRWDZBQOSA-N 1 3 355.526 3.407 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000583696138 506921878 /nfs/dbraw/zinc/92/18/78/506921878.db2.gz GPRZJARIACDZFS-KRWDZBQOSA-N 1 3 355.526 3.407 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863730 506965961 /nfs/dbraw/zinc/96/59/61/506965961.db2.gz DXNCDYSEEUACPI-KRWDZBQOSA-N 1 3 374.504 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863730 506965967 /nfs/dbraw/zinc/96/59/67/506965967.db2.gz DXNCDYSEEUACPI-KRWDZBQOSA-N 1 3 374.504 3.104 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590819066 506980441 /nfs/dbraw/zinc/98/04/41/506980441.db2.gz XUHULYFSQDZUBT-LJQANCHMSA-N 1 3 359.558 3.476 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590819066 506980443 /nfs/dbraw/zinc/98/04/43/506980443.db2.gz XUHULYFSQDZUBT-LJQANCHMSA-N 1 3 359.558 3.476 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000583920080 507050940 /nfs/dbraw/zinc/05/09/40/507050940.db2.gz FGBLAOCPODFFAS-FQEVSTJZSA-N 1 3 350.466 3.076 20 0 FGADHO CC(C)[C@H](C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154643 507134559 /nfs/dbraw/zinc/13/45/59/507134559.db2.gz QPWIYKBCSWMTGB-HLAWJBBLSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000600854958 507148170 /nfs/dbraw/zinc/14/81/70/507148170.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000600854958 507148177 /nfs/dbraw/zinc/14/81/77/507148177.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584227953 507225364 /nfs/dbraw/zinc/22/53/64/507225364.db2.gz UKLSGWGJSFBWGA-JPYJTQIMSA-N 1 3 368.521 3.414 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000591554643 507289768 /nfs/dbraw/zinc/28/97/68/507289768.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)N(C)C1CC1 ZINC000591554643 507289775 /nfs/dbraw/zinc/28/97/75/507289775.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579950 507301309 /nfs/dbraw/zinc/30/13/09/507301309.db2.gz AXRDUHPZAWQCCI-HZMBPMFUSA-N 1 3 374.241 3.223 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000594925347 507318328 /nfs/dbraw/zinc/31/83/28/507318328.db2.gz RXVJUXYRJIKBPX-BMGDILEWSA-N 1 3 364.917 3.339 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290193 507324536 /nfs/dbraw/zinc/32/45/36/507324536.db2.gz IBQMKJVKWXYYAM-NHCUHLMSSA-N 1 3 372.557 3.306 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000601290193 507324539 /nfs/dbraw/zinc/32/45/39/507324539.db2.gz IBQMKJVKWXYYAM-NHCUHLMSSA-N 1 3 372.557 3.306 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000584470724 507362728 /nfs/dbraw/zinc/36/27/28/507362728.db2.gz GVUZZMVUVPZIMZ-FQEVSTJZSA-N 1 3 373.541 3.248 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000584799513 507511015 /nfs/dbraw/zinc/51/10/15/507511015.db2.gz LKDNMDYDOUQCMW-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280659 507678193 /nfs/dbraw/zinc/67/81/93/507678193.db2.gz HNSPSHNYQXWURM-KDURUIRLSA-N 1 3 357.542 3.408 20 0 FGADHO CCOC(=O)CC1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000595878240 507723443 /nfs/dbraw/zinc/72/34/43/507723443.db2.gz UUNOCUUPXAYLJU-UHFFFAOYSA-N 1 3 374.525 3.265 20 0 FGADHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584656 609142674 /nfs/dbraw/zinc/14/26/74/609142674.db2.gz DECQOQLMZVABFG-HNNXBMFYSA-N 1 3 360.481 3.313 20 0 FGADHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584656 609142675 /nfs/dbraw/zinc/14/26/75/609142675.db2.gz DECQOQLMZVABFG-HNNXBMFYSA-N 1 3 360.481 3.313 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192047 700772082 /nfs/dbraw/zinc/77/20/82/700772082.db2.gz SBRBOWCGLSKDOW-ZFWWWQNUSA-N 1 3 371.497 3.239 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1CN1CCCCC1 ZINC000183011452 705874126 /nfs/dbraw/zinc/87/41/26/705874126.db2.gz HZCLOPQGKVIZDS-QFBILLFUSA-N 1 3 366.571 3.446 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(Cl)c1OC ZINC000237346119 713590640 /nfs/dbraw/zinc/59/06/40/713590640.db2.gz JOYSGBFZEZECNT-HUUCEWRRSA-N 1 3 370.921 3.336 20 0 FGADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000642615651 717983666 /nfs/dbraw/zinc/98/36/66/717983666.db2.gz RXHCLZMNYSYSTC-QGZVFWFLSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccc(F)cc2s1 ZINC000617503310 714662656 /nfs/dbraw/zinc/66/26/56/714662656.db2.gz DLBOQURMKSVCLC-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccc(F)cc2s1 ZINC000617503310 714662657 /nfs/dbraw/zinc/66/26/57/714662657.db2.gz DLBOQURMKSVCLC-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624121253 715477172 /nfs/dbraw/zinc/47/71/72/715477172.db2.gz RFQQIFRFBBKHSC-IRXDYDNUSA-N 1 3 350.503 3.103 20 0 FGADHO CN(C)C[C@H](NC(=O)CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766058 716990338 /nfs/dbraw/zinc/99/03/38/716990338.db2.gz LIJYYOAMKUSELI-INIZCTEOSA-N 1 3 359.436 3.156 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734098 717111773 /nfs/dbraw/zinc/11/17/73/717111773.db2.gz WPXVYHHWCHGAMC-UKRRQHHQSA-N 1 3 367.921 3.434 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000638067122 717406454 /nfs/dbraw/zinc/40/64/54/717406454.db2.gz AJWGZWBHLZCTAC-LSDHHAIUSA-N 1 3 371.428 3.186 20 0 FGADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000638426519 717447022 /nfs/dbraw/zinc/44/70/22/717447022.db2.gz UIZWVYJPGRCPAO-QGZVFWFLSA-N 1 3 367.331 3.261 20 0 FGADHO C[C@H]1CNC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552316 718367510 /nfs/dbraw/zinc/36/75/10/718367510.db2.gz QSQBDQNYKQBWAQ-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552316 718367511 /nfs/dbraw/zinc/36/75/11/718367511.db2.gz QSQBDQNYKQBWAQ-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458088 /nfs/dbraw/zinc/45/80/88/718458088.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 1 3 351.922 3.179 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458089 /nfs/dbraw/zinc/45/80/89/718458089.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 1 3 351.922 3.179 20 0 FGADHO C[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](C)CN1 ZINC000652613505 718966431 /nfs/dbraw/zinc/96/64/31/718966431.db2.gz VLWBXAHKZVXPPE-HOTGVXAUSA-N 1 3 362.543 3.089 20 0 FGADHO C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](C)CN1 ZINC000652613504 718966534 /nfs/dbraw/zinc/96/65/34/718966534.db2.gz VLWBXAHKZVXPPE-CVEARBPZSA-N 1 3 362.543 3.089 20 0 FGADHO CN(Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619196 719048534 /nfs/dbraw/zinc/04/85/34/719048534.db2.gz BZSKMEWJJNDLGQ-FYYLOGMGSA-N 1 3 362.521 3.259 20 0 FGADHO CO[C@H](c1ccccc1F)[C@@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738036 719332516 /nfs/dbraw/zinc/33/25/16/719332516.db2.gz HJELCZGHDUXBBV-SYNHAJSKSA-N 1 3 350.478 3.135 20 0 FGADHO Fc1ccc2nc(CNCC3CC[NH+](C4CCOCC4)CC3)sc2c1 ZINC000657537323 719668146 /nfs/dbraw/zinc/66/81/46/719668146.db2.gz HQDGOVMKVFNUEN-UHFFFAOYSA-N 1 3 363.502 3.416 20 0 FGADHO OC1(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971645 /nfs/dbraw/zinc/97/16/45/719971645.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 1 3 360.567 3.231 20 0 FGADHO OC1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971648 /nfs/dbraw/zinc/97/16/48/719971648.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 1 3 360.567 3.231 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474777 720518416 /nfs/dbraw/zinc/51/84/16/720518416.db2.gz QKHJTXVIGGEBIP-WMLDXEAASA-N 1 3 359.436 3.327 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000664309082 720622793 /nfs/dbraw/zinc/62/27/93/720622793.db2.gz XQEDDZPQOZMGDV-KBPBESRZSA-N 1 3 372.916 3.111 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000664309082 720622794 /nfs/dbraw/zinc/62/27/94/720622794.db2.gz XQEDDZPQOZMGDV-KBPBESRZSA-N 1 3 372.916 3.111 20 0 FGADHO CCCOc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950727 721004583 /nfs/dbraw/zinc/00/45/83/721004583.db2.gz CTLYPMWBXPXHMU-INIZCTEOSA-N 1 3 353.304 3.470 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2cccs2)CC1 ZINC000668644730 721325672 /nfs/dbraw/zinc/32/56/72/721325672.db2.gz POWSOVOPNBILIQ-MRXNPFEDSA-N 1 3 364.559 3.044 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000675178228 721735900 /nfs/dbraw/zinc/73/59/00/721735900.db2.gz VAKSPHHTOWTYQD-ROUUACIJSA-N 1 3 366.575 3.305 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802406 722409907 /nfs/dbraw/zinc/40/99/07/722409907.db2.gz IQTKMHWHKGWSQB-SQNIBIBYSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700802279 722409913 /nfs/dbraw/zinc/40/99/13/722409913.db2.gz HJQNIIVBGHLZJY-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281175 723629952 /nfs/dbraw/zinc/62/99/52/723629952.db2.gz IKMKDVHSBFMHQC-LXPRWKDFSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176902 723995326 /nfs/dbraw/zinc/99/53/26/723995326.db2.gz FJPPDFCUSABZON-MRXNPFEDSA-N 1 3 363.933 3.153 20 0 FGADHO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000800373012 724188220 /nfs/dbraw/zinc/18/82/20/724188220.db2.gz GBYVRUFOZCJYFY-WBVHZDCISA-N 1 3 351.535 3.096 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115596 725289706 /nfs/dbraw/zinc/28/97/06/725289706.db2.gz LCANAGMLYKYQDB-VQIMIIECSA-N 1 3 369.550 3.460 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115596 725289707 /nfs/dbraw/zinc/28/97/07/725289707.db2.gz LCANAGMLYKYQDB-VQIMIIECSA-N 1 3 369.550 3.460 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817888909 727286998 /nfs/dbraw/zinc/28/69/98/727286998.db2.gz LEFXZZRPIWHYSI-PIGZYNQJSA-N 1 3 353.388 3.252 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929071 727288143 /nfs/dbraw/zinc/28/81/43/727288143.db2.gz IRYOYQPKXHZISM-XMTFNYHQSA-N 1 3 367.331 3.383 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818940697 727328587 /nfs/dbraw/zinc/32/85/87/727328587.db2.gz CBSRIPUMAYYIEK-MRXNPFEDSA-N 1 3 359.283 3.084 20 0 FGADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000818945635 727328965 /nfs/dbraw/zinc/32/89/65/727328965.db2.gz MSZUZIYJTHANCY-KRWDZBQOSA-N 1 3 371.294 3.012 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819078273 727345210 /nfs/dbraw/zinc/34/52/10/727345210.db2.gz IBOUVZKSLAQBOU-XJKSGUPXSA-N 1 3 359.283 3.086 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134551 727351019 /nfs/dbraw/zinc/35/10/19/727351019.db2.gz IDOGWJOAVVJWIO-VBQJREDUSA-N 1 3 373.310 3.258 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819278888 727363853 /nfs/dbraw/zinc/36/38/53/727363853.db2.gz SPMGMNFWNNZZGU-VMBOVVBDSA-N 1 3 358.404 3.225 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCC2)CC1)c1ccccc1Br ZINC000819355249 727370644 /nfs/dbraw/zinc/37/06/44/727370644.db2.gz PPXIIJXEOKNESI-KRWDZBQOSA-N 1 3 353.304 3.089 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082253 /nfs/dbraw/zinc/08/22/53/729082253.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 1 3 354.560 3.117 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082261 /nfs/dbraw/zinc/08/22/61/729082261.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 1 3 354.560 3.117 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(Cl)n1 ZINC000827528808 729431315 /nfs/dbraw/zinc/43/13/15/729431315.db2.gz ALCOGCOWHNEUNA-URKNILKWSA-N 1 3 366.937 3.060 20 0 FGADHO [NH2+]=C(NCCSCC(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849057236 731224990 /nfs/dbraw/zinc/22/49/90/731224990.db2.gz IJFCXJUCQMXZLD-UHFFFAOYSA-N 1 3 374.476 3.060 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065906 731225330 /nfs/dbraw/zinc/22/53/30/731225330.db2.gz HTHDRFBCXOXEPP-MRXNPFEDSA-N 1 3 352.910 3.016 20 0 FGADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCc3cscn3)C2)ccn1 ZINC000856604278 732040847 /nfs/dbraw/zinc/04/08/47/732040847.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 1 3 360.527 3.074 20 0 FGADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCc3cscn3)C2)ccn1 ZINC000856604278 732040853 /nfs/dbraw/zinc/04/08/53/732040853.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 1 3 360.527 3.074 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000862408867 732827668 /nfs/dbraw/zinc/82/76/68/732827668.db2.gz JWQHQWQRUSGNKO-UONOGXRCSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000862408867 732827671 /nfs/dbraw/zinc/82/76/71/732827671.db2.gz JWQHQWQRUSGNKO-UONOGXRCSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N[C@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)CC(F)F ZINC000865403905 733192508 /nfs/dbraw/zinc/19/25/08/733192508.db2.gz UZPIIIJYVOPQMP-LBPRGKRZSA-N 1 3 363.493 3.434 20 0 FGADHO Cc1cc(CN(C)C)cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000870909533 733901168 /nfs/dbraw/zinc/90/11/68/733901168.db2.gz FSBQWWPFMDGPLJ-UHFFFAOYSA-N 1 3 358.511 3.232 20 0 FGADHO CC(C)(C)c1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)s1 ZINC000873218827 735739076 /nfs/dbraw/zinc/73/90/76/735739076.db2.gz SEUXEWWIWZSECZ-UHFFFAOYSA-N 1 3 355.511 3.375 20 0 FGADHO CC(C)CN(Cc1csc(-c2ccn(C)n2)n1)CC1CC[NH+](C)CC1 ZINC000879704241 737035202 /nfs/dbraw/zinc/03/52/02/737035202.db2.gz BPVQZAOGZHLNBP-UHFFFAOYSA-N 1 3 361.559 3.343 20 0 FGADHO CCN1CCC([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891562498 739915911 /nfs/dbraw/zinc/91/59/11/739915911.db2.gz UVXNRCPMGCXYSR-UHFFFAOYSA-N 1 3 368.319 3.324 20 0 FGADHO CCN1CCC([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891562498 739915916 /nfs/dbraw/zinc/91/59/16/739915916.db2.gz UVXNRCPMGCXYSR-UHFFFAOYSA-N 1 3 368.319 3.324 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@H]1C(F)(F)F ZINC000893094414 742108877 /nfs/dbraw/zinc/10/88/77/742108877.db2.gz JQTMHSPNFHGMFD-LYYZXLFJSA-N 1 3 364.452 3.359 20 0 FGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CCN1C ZINC000903270064 743832561 /nfs/dbraw/zinc/83/25/61/743832561.db2.gz CEJKJYHOPFXQQK-DZOHQFGASA-N 1 3 355.448 3.122 20 0 FGADHO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H](N)CC(F)F)cc1OC ZINC000903904416 743894592 /nfs/dbraw/zinc/89/45/92/743894592.db2.gz UXYLDCOESVBJGD-CVEARBPZSA-N 1 3 356.457 3.473 20 0 FGADHO COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@H](N)CC(F)F)cc1OC ZINC000903904416 743894595 /nfs/dbraw/zinc/89/45/95/743894595.db2.gz UXYLDCOESVBJGD-CVEARBPZSA-N 1 3 356.457 3.473 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688961 758770599 /nfs/dbraw/zinc/77/05/99/758770599.db2.gz MVLBPIYLXOKYRU-KSZLIROESA-N 1 3 353.551 3.390 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394730 758913614 /nfs/dbraw/zinc/91/36/14/758913614.db2.gz SERXVTCKJTVSEF-YWTNHNAXSA-N 1 3 351.560 3.226 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394730 758913616 /nfs/dbraw/zinc/91/36/16/758913616.db2.gz SERXVTCKJTVSEF-YWTNHNAXSA-N 1 3 351.560 3.226 20 0 FGADHO CN(C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329884 759101927 /nfs/dbraw/zinc/10/19/27/759101927.db2.gz ZUGUMDOLRAIHRB-RBEWDSDLSA-N 1 3 354.416 3.383 20 0 FGADHO [NH3+]CCC[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925581868 759509347 /nfs/dbraw/zinc/50/93/47/759509347.db2.gz WRNDYIXWHKXFOI-AWEZNQCLSA-N 1 3 351.372 3.112 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853069 759559569 /nfs/dbraw/zinc/55/95/69/759559569.db2.gz JFQXVMWLSJAEDR-OCCSQVGLSA-N 1 3 365.543 3.085 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853591 759559598 /nfs/dbraw/zinc/55/95/98/759559598.db2.gz JFQXVMWLSJAEDR-TZMCWYRMSA-N 1 3 365.543 3.085 20 0 FGADHO Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188431 765144017 /nfs/dbraw/zinc/14/40/17/765144017.db2.gz AMVFPWNPWUZNCE-KBAYOESNSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188431 765144027 /nfs/dbraw/zinc/14/40/27/765144027.db2.gz AMVFPWNPWUZNCE-KBAYOESNSA-N 1 3 363.933 3.069 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001027416325 766092323 /nfs/dbraw/zinc/09/23/23/766092323.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001027416325 766092331 /nfs/dbraw/zinc/09/23/31/766092331.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045044184 766504060 /nfs/dbraw/zinc/50/40/60/766504060.db2.gz WMSVVGSPXOBZFT-IXDOHACOSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045044184 766504063 /nfs/dbraw/zinc/50/40/63/766504063.db2.gz WMSVVGSPXOBZFT-IXDOHACOSA-N 1 3 363.933 3.069 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000570767227 505575830 /nfs/dbraw/zinc/57/58/30/505575830.db2.gz JDTSKNPNBQNCFJ-IBGZPJMESA-N 1 3 374.573 3.067 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000570767227 505575832 /nfs/dbraw/zinc/57/58/32/505575832.db2.gz JDTSKNPNBQNCFJ-IBGZPJMESA-N 1 3 374.573 3.067 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000579597909 505583743 /nfs/dbraw/zinc/58/37/43/505583743.db2.gz JONRCLCIQZCBFG-HZPDHXFCSA-N 1 3 366.347 3.127 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674959 505593618 /nfs/dbraw/zinc/59/36/18/505593618.db2.gz RPQFOADDHUKGSZ-LJCCNALRSA-N 1 3 369.509 3.091 20 0 FGADHO Fc1ccc(-c2nc(CN3CCN(CC[C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000567990326 505591446 /nfs/dbraw/zinc/59/14/46/505591446.db2.gz SWHNHOFMEPBIPQ-MRXNPFEDSA-N 1 3 374.529 3.066 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000573666833 505591646 /nfs/dbraw/zinc/59/16/46/505591646.db2.gz VXPHBSBIGAUDGL-MRXNPFEDSA-N 1 3 374.529 3.191 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000573666833 505591648 /nfs/dbraw/zinc/59/16/48/505591648.db2.gz VXPHBSBIGAUDGL-MRXNPFEDSA-N 1 3 374.529 3.191 20 0 FGADHO C[C@H](c1cccc(Br)c1)[N@H+](C)CCCN(C)CCN(C)C ZINC000573721313 505604386 /nfs/dbraw/zinc/60/43/86/505604386.db2.gz JMAMARFKGIMVFY-OAHLLOKOSA-N 1 3 356.352 3.325 20 0 FGADHO C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000573721313 505604389 /nfs/dbraw/zinc/60/43/89/505604389.db2.gz JMAMARFKGIMVFY-OAHLLOKOSA-N 1 3 356.352 3.325 20 0 FGADHO c1cncc([C@@H]2CCCN2CCOCCN2CCC[C@H]2c2cccnc2)c1 ZINC000573829035 505630672 /nfs/dbraw/zinc/63/06/72/505630672.db2.gz YVEOXPMDTLDUJP-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO c1cncc([C@@H]2CCCN2CCOCC[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000573829035 505630675 /nfs/dbraw/zinc/63/06/75/505630675.db2.gz YVEOXPMDTLDUJP-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO c1cncc([C@@H]2CCCN2CCOCC[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000573829035 505630679 /nfs/dbraw/zinc/63/06/79/505630679.db2.gz YVEOXPMDTLDUJP-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c(F)c1 ZINC000580047537 505669720 /nfs/dbraw/zinc/66/97/20/505669720.db2.gz NPDBKWCOUDEMCT-GOSISDBHSA-N 1 3 370.472 3.133 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000577146968 505673157 /nfs/dbraw/zinc/67/31/57/505673157.db2.gz VEPMEMXEBUXDIG-SJLPKXTDSA-N 1 3 351.560 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332010 493866925 /nfs/dbraw/zinc/86/69/25/493866925.db2.gz QMIXJWDWEQQBAX-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332010 493866928 /nfs/dbraw/zinc/86/69/28/493866928.db2.gz QMIXJWDWEQQBAX-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050025592 493891721 /nfs/dbraw/zinc/89/17/21/493891721.db2.gz QEPKWNJDPSFMRW-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050025592 493891726 /nfs/dbraw/zinc/89/17/26/493891726.db2.gz QEPKWNJDPSFMRW-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000050800528 493935263 /nfs/dbraw/zinc/93/52/63/493935263.db2.gz ZAXFMXCSOSKSFD-OXJNMPFZSA-N 1 3 373.541 3.010 20 0 FGADHO CC(C)Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801314 493935457 /nfs/dbraw/zinc/93/54/57/493935457.db2.gz WJIXNRLJQOKIOV-UHFFFAOYSA-N 1 3 371.569 3.102 20 0 FGADHO Cc1cc(C)cc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000050797685 493935867 /nfs/dbraw/zinc/93/58/67/493935867.db2.gz JUUCNJHRZPOVHK-UHFFFAOYSA-N 1 3 369.553 3.010 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000574090617 505690999 /nfs/dbraw/zinc/69/09/99/505690999.db2.gz UIWCEIAJWDLEAL-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000574090617 505691001 /nfs/dbraw/zinc/69/10/01/505691001.db2.gz UIWCEIAJWDLEAL-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CC(C)(C)C)CC2)CC1 ZINC000051761178 493986874 /nfs/dbraw/zinc/98/68/74/493986874.db2.gz OVTDUBWZYWNFMT-LJQANCHMSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052524379 494035336 /nfs/dbraw/zinc/03/53/36/494035336.db2.gz ODMQUBDADLVYNW-DBXWQHBBSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361535 494116770 /nfs/dbraw/zinc/11/67/70/494116770.db2.gz GLUAQZJFASMCKE-QZTJIDSGSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400717 494120377 /nfs/dbraw/zinc/12/03/77/494120377.db2.gz AYDOETGCYIEAEH-PXNSSMCTSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000065469419 494201495 /nfs/dbraw/zinc/20/14/95/494201495.db2.gz UWLHYURNDOOPCG-SVFBPWRDSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000065469419 494201498 /nfs/dbraw/zinc/20/14/98/494201498.db2.gz UWLHYURNDOOPCG-SVFBPWRDSA-N 1 3 374.573 3.265 20 0 FGADHO CN(CCNC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1 ZINC000065541537 494212133 /nfs/dbraw/zinc/21/21/33/494212133.db2.gz CKMSMPBYFITRJA-UHFFFAOYSA-N 1 3 360.546 3.072 20 0 FGADHO CCCN1CCN(c2ccccc2CNC2CC[NH+](CC(C)C)CC2)CC1 ZINC000088678129 494255884 /nfs/dbraw/zinc/25/58/84/494255884.db2.gz FIANOTNVOJDFJQ-UHFFFAOYSA-N 1 3 372.601 3.429 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000066160620 494280927 /nfs/dbraw/zinc/28/09/27/494280927.db2.gz AOJIEROINJTDFE-OAQYLSRUSA-N 1 3 370.541 3.417 20 0 FGADHO CN1CCC(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000073027314 494307973 /nfs/dbraw/zinc/30/79/73/494307973.db2.gz NRYNXQQKTCUNBS-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO CN1CCC(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000073027314 494307979 /nfs/dbraw/zinc/30/79/79/494307979.db2.gz NRYNXQQKTCUNBS-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089513007 494319266 /nfs/dbraw/zinc/31/92/66/494319266.db2.gz TYQFISMCILSDRR-CYBMUJFWSA-N 1 3 352.910 3.305 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000073415399 494369031 /nfs/dbraw/zinc/36/90/31/494369031.db2.gz QGJSVACOTOXXOY-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819631 494434121 /nfs/dbraw/zinc/43/41/21/494434121.db2.gz HNCILGIWFXBYBL-GHTZIAJQSA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526258 494478540 /nfs/dbraw/zinc/47/85/40/494478540.db2.gz CTSNZVBIQOUZKU-CCKFTAQKSA-N 1 3 350.478 3.253 20 0 FGADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000090937016 494504314 /nfs/dbraw/zinc/50/43/14/494504314.db2.gz RYTWCTMYGMXZMD-CQSZACIVSA-N 1 3 365.424 3.474 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000079733757 494517841 /nfs/dbraw/zinc/51/78/41/494517841.db2.gz CKFSJRNJZRFULM-FPOVZHCZSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000079733757 494517845 /nfs/dbraw/zinc/51/78/45/494517845.db2.gz CKFSJRNJZRFULM-FPOVZHCZSA-N 1 3 374.573 3.113 20 0 FGADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523316 494520044 /nfs/dbraw/zinc/52/00/44/494520044.db2.gz JTUBRJOVBOVZHC-QZTJIDSGSA-N 1 3 359.558 3.478 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336509 494586412 /nfs/dbraw/zinc/58/64/12/494586412.db2.gz BACAGMKTPCRLNG-GDBMZVCRSA-N 1 3 364.921 3.114 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336509 494586419 /nfs/dbraw/zinc/58/64/19/494586419.db2.gz BACAGMKTPCRLNG-GDBMZVCRSA-N 1 3 364.921 3.114 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131341641 494589163 /nfs/dbraw/zinc/58/91/63/494589163.db2.gz OJQSVDSRHBVRRU-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095240 494592630 /nfs/dbraw/zinc/59/26/30/494592630.db2.gz MAOMGJMXDRQQDL-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2coc3ccccc23)CC1 ZINC000092426417 494622386 /nfs/dbraw/zinc/62/23/86/494622386.db2.gz LRHZLPMQMUHTNU-UHFFFAOYSA-N 1 3 371.525 3.349 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000121166745 494627483 /nfs/dbraw/zinc/62/74/83/494627483.db2.gz DLPBTJDANRXITB-HZPDHXFCSA-N 1 3 368.363 3.373 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983931 494631292 /nfs/dbraw/zinc/63/12/92/494631292.db2.gz PZRYBNYAIOESDO-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249692 494665435 /nfs/dbraw/zinc/66/54/35/494665435.db2.gz NXNCDFRBSGYHJW-MOPGFXCFSA-N 1 3 369.557 3.105 20 0 FGADHO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000080518336 494725550 /nfs/dbraw/zinc/72/55/50/494725550.db2.gz JNEWEALROYNBML-UHFFFAOYSA-N 1 3 352.906 3.208 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739817 494734163 /nfs/dbraw/zinc/73/41/63/494734163.db2.gz XMZCGHWRLRVENN-LJQANCHMSA-N 1 3 370.516 3.469 20 0 FGADHO Brc1cc2c(c(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492676 505738878 /nfs/dbraw/zinc/73/88/78/505738878.db2.gz NFLOAZOTOSCNRN-LSDHHAIUSA-N 1 3 365.315 3.206 20 0 FGADHO COc1ccc([C@H]2CCCN2C(=O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121610675 494819574 /nfs/dbraw/zinc/81/95/74/494819574.db2.gz OSINVMAYTWJQML-OAQYLSRUSA-N 1 3 373.541 3.022 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000126769835 494835191 /nfs/dbraw/zinc/83/51/91/494835191.db2.gz XRFIXGIDMPSBQN-IBGZPJMESA-N 1 3 365.949 3.478 20 0 FGADHO CN1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525883 505745702 /nfs/dbraw/zinc/74/57/02/505745702.db2.gz NZSVDSIBWZJSLT-QFBILLFUSA-N 1 3 357.523 3.062 20 0 FGADHO COc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1O ZINC000093844306 494926769 /nfs/dbraw/zinc/92/67/69/494926769.db2.gz ANDDLMNJRWJSFQ-IAGOWNOFSA-N 1 3 362.514 3.112 20 0 FGADHO Cc1cc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000133137219 494975399 /nfs/dbraw/zinc/97/53/99/494975399.db2.gz AUYUISJFHDVIPX-UHFFFAOYSA-N 1 3 361.317 3.259 20 0 FGADHO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110690523 495000697 /nfs/dbraw/zinc/00/06/97/495000697.db2.gz ORUUHUSPKVFIFQ-KNQAVFIVSA-N 1 3 369.553 3.026 20 0 FGADHO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N(C)C ZINC000110680220 495001062 /nfs/dbraw/zinc/00/10/62/495001062.db2.gz SDLOQWZMJDYRBO-HXUWFJFHSA-N 1 3 374.529 3.026 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049294 495037322 /nfs/dbraw/zinc/03/73/22/495037322.db2.gz WSCIKIQOELMLID-BBRMVZONSA-N 1 3 367.946 3.054 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551440 505759843 /nfs/dbraw/zinc/75/98/43/505759843.db2.gz MXNGRDIKADRQCO-AEFFLSMTSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551440 505759847 /nfs/dbraw/zinc/75/98/47/505759847.db2.gz MXNGRDIKADRQCO-AEFFLSMTSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551440 505759852 /nfs/dbraw/zinc/75/98/52/505759852.db2.gz MXNGRDIKADRQCO-AEFFLSMTSA-N 1 3 358.448 3.319 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000123113289 495082444 /nfs/dbraw/zinc/08/24/44/495082444.db2.gz NMQYLLHWAGJAMW-GOSISDBHSA-N 1 3 354.922 3.134 20 0 FGADHO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123945165 495210582 /nfs/dbraw/zinc/21/05/82/495210582.db2.gz QQQJYEAHLVRIQW-LJQANCHMSA-N 1 3 355.526 3.458 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103311777 495218631 /nfs/dbraw/zinc/21/86/31/495218631.db2.gz NTTBNRCHUPZJLF-NRFANRHFSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN3CCCC3)cc2)C1 ZINC000112742450 495234044 /nfs/dbraw/zinc/23/40/44/495234044.db2.gz BSSMCLNOEIMVFO-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN3CCCC3)cc2)C1 ZINC000112742450 495234046 /nfs/dbraw/zinc/23/40/46/495234046.db2.gz BSSMCLNOEIMVFO-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCC(C)(C)C)CC2)CC1 ZINC000103870129 495259145 /nfs/dbraw/zinc/25/91/45/495259145.db2.gz UEIRXZAWMWXZIE-UHFFFAOYSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000114455165 495375786 /nfs/dbraw/zinc/37/57/86/495375786.db2.gz KQCIYQXTYAYSOY-SFHVURJKSA-N 1 3 357.542 3.276 20 0 FGADHO Cc1nccn1CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125086537 495388782 /nfs/dbraw/zinc/38/87/82/495388782.db2.gz VEQDQYVEGKQTLW-KDURUIRLSA-N 1 3 362.562 3.183 20 0 FGADHO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000125402984 495439596 /nfs/dbraw/zinc/43/95/96/495439596.db2.gz KIUMDGQITBSNNN-IERDGZPVSA-N 1 3 358.482 3.020 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000130985302 495475697 /nfs/dbraw/zinc/47/56/97/495475697.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000130985302 495475701 /nfs/dbraw/zinc/47/57/01/495475701.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000130985302 495475706 /nfs/dbraw/zinc/47/57/06/495475706.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000130985302 495475712 /nfs/dbraw/zinc/47/57/12/495475712.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 1 3 358.574 3.407 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883746 495476973 /nfs/dbraw/zinc/47/69/73/495476973.db2.gz KKLCJAXTGOPPSD-DYESRHJHSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883746 495476976 /nfs/dbraw/zinc/47/69/76/495476976.db2.gz KKLCJAXTGOPPSD-DYESRHJHSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883746 495476980 /nfs/dbraw/zinc/47/69/80/495476980.db2.gz KKLCJAXTGOPPSD-DYESRHJHSA-N 1 3 365.537 3.114 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657404 505785035 /nfs/dbraw/zinc/78/50/35/505785035.db2.gz LWYXBEULONCAIL-BMFZPTHFSA-N 1 3 352.320 3.135 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000120939407 495489015 /nfs/dbraw/zinc/48/90/15/495489015.db2.gz AYFXQTPFDNXAIW-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000120939407 495489019 /nfs/dbraw/zinc/48/90/19/495489019.db2.gz AYFXQTPFDNXAIW-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CC[NH+](CC)CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000106829698 495499972 /nfs/dbraw/zinc/49/99/72/495499972.db2.gz HHLRTKZVEVEZBD-UHFFFAOYSA-N 1 3 351.922 3.010 20 0 FGADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154348833 495588971 /nfs/dbraw/zinc/58/89/71/495588971.db2.gz BHYUKUTXPUSROE-INIZCTEOSA-N 1 3 355.473 3.275 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154442135 495617655 /nfs/dbraw/zinc/61/76/55/495617655.db2.gz JTRMYZTYNVVWKL-GOSISDBHSA-N 1 3 371.447 3.190 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154474035 495627960 /nfs/dbraw/zinc/62/79/60/495627960.db2.gz NWMPSNBVBMMXAI-MRXNPFEDSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000159115661 495662722 /nfs/dbraw/zinc/66/27/22/495662722.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000159115661 495662729 /nfs/dbraw/zinc/66/27/29/495662729.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 1 3 372.557 3.164 20 0 FGADHO CN(c1ccccc1CNC[C@@](C)(O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150977487 495700388 /nfs/dbraw/zinc/70/03/88/495700388.db2.gz ZJOVISUTERHQIE-OAQYLSRUSA-N 1 3 373.566 3.276 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc2c1CCNC2 ZINC000574545194 505798618 /nfs/dbraw/zinc/79/86/18/505798618.db2.gz KJVXWIXWLVKIOJ-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc2c1CCNC2 ZINC000574545194 505798622 /nfs/dbraw/zinc/79/86/22/505798622.db2.gz KJVXWIXWLVKIOJ-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000182830789 495719773 /nfs/dbraw/zinc/71/97/73/495719773.db2.gz RVAGUIAKTYSWOH-KSZLIROESA-N 1 3 372.557 3.417 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176631929 495727221 /nfs/dbraw/zinc/72/72/21/495727221.db2.gz UBLRPWORVLNPFD-VQTJNVASSA-N 1 3 360.546 3.153 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760750 /nfs/dbraw/zinc/76/07/50/495760750.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 1 3 354.922 3.024 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760753 /nfs/dbraw/zinc/76/07/53/495760753.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 1 3 354.922 3.024 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000171313572 495816330 /nfs/dbraw/zinc/81/63/30/495816330.db2.gz LEZWNRROFQAANP-GOSISDBHSA-N 1 3 360.546 3.012 20 0 FGADHO CN1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201341 495902966 /nfs/dbraw/zinc/90/29/66/495902966.db2.gz HLVRCDYJWVQJQF-YADHBBJMSA-N 1 3 363.505 3.458 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000180276009 495933574 /nfs/dbraw/zinc/93/35/74/495933574.db2.gz NRTSHVAZDSEQQO-UHFFFAOYSA-N 1 3 351.454 3.379 20 0 FGADHO CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000174402705 495942792 /nfs/dbraw/zinc/94/27/92/495942792.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000174402705 495942797 /nfs/dbraw/zinc/94/27/97/495942797.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1c(C)nc2ccccn2c1=O ZINC000577903884 505815348 /nfs/dbraw/zinc/81/53/48/505815348.db2.gz PUQAMGOBWWUPNI-ICSRJNTNSA-N 1 3 370.541 3.036 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903884 505815350 /nfs/dbraw/zinc/81/53/50/505815350.db2.gz PUQAMGOBWWUPNI-ICSRJNTNSA-N 1 3 370.541 3.036 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571144 495998050 /nfs/dbraw/zinc/99/80/50/495998050.db2.gz ZKWBRZZSPDYBHR-MAUKXSAKSA-N 1 3 351.922 3.169 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697651 496039280 /nfs/dbraw/zinc/03/92/80/496039280.db2.gz MEFGJNAADCUKAN-HZPDHXFCSA-N 1 3 351.560 3.094 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000177381397 496039467 /nfs/dbraw/zinc/03/94/67/496039467.db2.gz NDOURCLAHQGSCB-UHFFFAOYSA-N 1 3 373.463 3.086 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000177484543 496080426 /nfs/dbraw/zinc/08/04/26/496080426.db2.gz HODXWCPDTWYFAU-HZPDHXFCSA-N 1 3 366.468 3.167 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000155944011 496114408 /nfs/dbraw/zinc/11/44/08/496114408.db2.gz NKKAIACXNHBWAN-KKUMJFAQSA-N 1 3 352.910 3.162 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000155944011 496114410 /nfs/dbraw/zinc/11/44/10/496114410.db2.gz NKKAIACXNHBWAN-KKUMJFAQSA-N 1 3 352.910 3.162 20 0 FGADHO CC(C)OCC[C@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000577947569 505825439 /nfs/dbraw/zinc/82/54/39/505825439.db2.gz LHROGDBBMWZCCE-KNKQGSTJSA-N 1 3 362.558 3.430 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000174890700 496151029 /nfs/dbraw/zinc/15/10/29/496151029.db2.gz CYEDSAQDAFPJQG-JENIJYKNSA-N 1 3 360.546 3.240 20 0 FGADHO COC(=O)COc1c(C)cc(CN2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000152694402 496228627 /nfs/dbraw/zinc/22/86/27/496228627.db2.gz CJQPHSLLTXOEKJ-UHFFFAOYSA-N 1 3 374.525 3.163 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000177877122 496235129 /nfs/dbraw/zinc/23/51/29/496235129.db2.gz XMJLPUOTAWLATB-ZWKOTPCHSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000177877122 496235130 /nfs/dbraw/zinc/23/51/30/496235130.db2.gz XMJLPUOTAWLATB-ZWKOTPCHSA-N 1 3 360.546 3.099 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CCSCC3)cc2)CC1 ZINC000187016771 496253247 /nfs/dbraw/zinc/25/32/47/496253247.db2.gz MHWUJNBAHWNMSE-SFHVURJKSA-N 1 3 361.599 3.445 20 0 FGADHO Cc1nc(C)c([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)s1 ZINC000177983169 496275892 /nfs/dbraw/zinc/27/58/92/496275892.db2.gz INUKSKJOOPITNV-HNNXBMFYSA-N 1 3 350.576 3.361 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000184233695 496297604 /nfs/dbraw/zinc/29/76/04/496297604.db2.gz FCLZUHWALUWPDL-QUCCMNQESA-N 1 3 357.542 3.455 20 0 FGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000162514327 496365950 /nfs/dbraw/zinc/36/59/50/496365950.db2.gz AHBCBFWEIQQXSR-PUAOIOHZSA-N 1 3 360.523 3.215 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2)CC1 ZINC000181376074 496372094 /nfs/dbraw/zinc/37/20/94/496372094.db2.gz DHRMCRHMTIPRFQ-LJQANCHMSA-N 1 3 365.521 3.426 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000162597208 496380237 /nfs/dbraw/zinc/38/02/37/496380237.db2.gz DPBUOKKPCWKMJI-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000162812627 496416820 /nfs/dbraw/zinc/41/68/20/496416820.db2.gz OOPWEFKEQGJZKG-CGSFFBPTSA-N 1 3 366.571 3.357 20 0 FGADHO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000162812524 496417034 /nfs/dbraw/zinc/41/70/34/496417034.db2.gz OOPWEFKEQGJZKG-KRBQOJCGSA-N 1 3 366.571 3.357 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181493628 496418373 /nfs/dbraw/zinc/41/83/73/496418373.db2.gz UKLKEPALCIUXRW-WOJBJXKFSA-N 1 3 351.579 3.122 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000157192731 496425335 /nfs/dbraw/zinc/42/53/35/496425335.db2.gz LASUIVIVIZBOPB-UHFFFAOYSA-N 1 3 366.594 3.403 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000157456107 496480024 /nfs/dbraw/zinc/48/00/24/496480024.db2.gz HUXCRBHOOCQDMA-IBGZPJMESA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157456107 496480026 /nfs/dbraw/zinc/48/00/26/496480026.db2.gz HUXCRBHOOCQDMA-IBGZPJMESA-N 1 3 374.573 3.400 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccccc1 ZINC000184745201 496517186 /nfs/dbraw/zinc/51/71/86/496517186.db2.gz QIOJYILPHGNKKX-OALUTQOASA-N 1 3 365.521 3.049 20 0 FGADHO CCc1cccc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000157632310 496519166 /nfs/dbraw/zinc/51/91/66/496519166.db2.gz NDDLCJSNQLDUDD-IBGZPJMESA-N 1 3 360.546 3.437 20 0 FGADHO CCc1cccc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000157632310 496519169 /nfs/dbraw/zinc/51/91/69/496519169.db2.gz NDDLCJSNQLDUDD-IBGZPJMESA-N 1 3 360.546 3.437 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175781843 496543555 /nfs/dbraw/zinc/54/35/55/496543555.db2.gz YQNWSCWHFIRWGE-TZIWHRDSSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175781843 496543560 /nfs/dbraw/zinc/54/35/60/496543560.db2.gz YQNWSCWHFIRWGE-TZIWHRDSSA-N 1 3 374.573 3.413 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844369 496569566 /nfs/dbraw/zinc/56/95/66/496569566.db2.gz RGJQUANJEHMMMG-SFHVURJKSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844369 496569573 /nfs/dbraw/zinc/56/95/73/496569573.db2.gz RGJQUANJEHMMMG-SFHVURJKSA-N 1 3 357.502 3.048 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCC2 ZINC000181860879 496575559 /nfs/dbraw/zinc/57/55/59/496575559.db2.gz ULNUZORTSUNDBW-SFTDATJTSA-N 1 3 358.526 3.081 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000164603185 496622387 /nfs/dbraw/zinc/62/23/87/496622387.db2.gz AQCBGBICVKFFNM-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000164603185 496622390 /nfs/dbraw/zinc/62/23/90/496622390.db2.gz AQCBGBICVKFFNM-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000185034022 496630124 /nfs/dbraw/zinc/63/01/24/496630124.db2.gz PHAFUTZSPNYINX-OALUTQOASA-N 1 3 366.571 3.401 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000185034022 496630128 /nfs/dbraw/zinc/63/01/28/496630128.db2.gz PHAFUTZSPNYINX-OALUTQOASA-N 1 3 366.571 3.401 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000178992826 496638831 /nfs/dbraw/zinc/63/88/31/496638831.db2.gz UHQUBVHLTHXQIA-KBPBESRZSA-N 1 3 360.420 3.406 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@@H](C)O1 ZINC000178992834 496639343 /nfs/dbraw/zinc/63/93/43/496639343.db2.gz UHQUBVHLTHXQIA-ZIAGYGMSSA-N 1 3 360.420 3.406 20 0 FGADHO C[C@H](NCCC(=O)Nc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000164970332 496641621 /nfs/dbraw/zinc/64/16/21/496641621.db2.gz AJZNGKQXBDZLEC-KRWDZBQOSA-N 1 3 355.482 3.306 20 0 FGADHO CCC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000185084650 496652646 /nfs/dbraw/zinc/65/26/46/496652646.db2.gz BKVLTKMWLAPKIZ-QFIPXVFZSA-N 1 3 352.526 3.460 20 0 FGADHO CN(c1ccccc1CN(CCO)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000158322350 496676622 /nfs/dbraw/zinc/67/66/22/496676622.db2.gz GLSNCWGJRBIJRJ-UHFFFAOYSA-N 1 3 367.537 3.212 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414077 496682222 /nfs/dbraw/zinc/68/22/22/496682222.db2.gz XWQOPLREEPZNLB-HOJAQTOUSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414077 496682229 /nfs/dbraw/zinc/68/22/29/496682229.db2.gz XWQOPLREEPZNLB-HOJAQTOUSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000173416667 496684179 /nfs/dbraw/zinc/68/41/79/496684179.db2.gz BTWJFCHXTIWBPA-ULQDDVLXSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000173416667 496684186 /nfs/dbraw/zinc/68/41/86/496684186.db2.gz BTWJFCHXTIWBPA-ULQDDVLXSA-N 1 3 364.559 3.009 20 0 FGADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176138605 496700054 /nfs/dbraw/zinc/70/00/54/496700054.db2.gz YSRAPUBIRKSYHO-NRFANRHFSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(OCCN(C)C)cc1 ZINC000168118982 496708267 /nfs/dbraw/zinc/70/82/67/496708267.db2.gz RPOMZDQRAWRVLF-SJLPKXTDSA-N 1 3 372.488 3.091 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000574813937 505861297 /nfs/dbraw/zinc/86/12/97/505861297.db2.gz RNLYHGHEGDAFOV-RTWAWAEBSA-N 1 3 372.557 3.444 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182257739 496721436 /nfs/dbraw/zinc/72/14/36/496721436.db2.gz YCYINRHXEIOXJY-SIKLNZKXSA-N 1 3 352.478 3.039 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182257739 496721439 /nfs/dbraw/zinc/72/14/39/496721439.db2.gz YCYINRHXEIOXJY-SIKLNZKXSA-N 1 3 352.478 3.039 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118549 496825513 /nfs/dbraw/zinc/82/55/13/496825513.db2.gz OBSUBPBTDNNBMO-KRWDZBQOSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118549 496825515 /nfs/dbraw/zinc/82/55/15/496825515.db2.gz OBSUBPBTDNNBMO-KRWDZBQOSA-N 1 3 352.910 3.220 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000268993715 496844746 /nfs/dbraw/zinc/84/47/46/496844746.db2.gz NELJUZCSCDWSAD-WIYYLYMNSA-N 1 3 356.510 3.444 20 0 FGADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269003486 496846001 /nfs/dbraw/zinc/84/60/01/496846001.db2.gz PWBROGLBLIUSEH-CYBMUJFWSA-N 1 3 363.502 3.365 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111487 496873748 /nfs/dbraw/zinc/87/37/48/496873748.db2.gz IYKUHFKQBFOMIB-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111487 496873753 /nfs/dbraw/zinc/87/37/53/496873753.db2.gz IYKUHFKQBFOMIB-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO OCC[C@@H]1CCCCN1Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000247735370 496910456 /nfs/dbraw/zinc/91/04/56/496910456.db2.gz VPKUJKDCPNBYPV-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@@H]1CCCCN1Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000247735370 496910460 /nfs/dbraw/zinc/91/04/60/496910460.db2.gz VPKUJKDCPNBYPV-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Cl ZINC000195443904 496923912 /nfs/dbraw/zinc/92/39/12/496923912.db2.gz MOXOAOYLQAOSFR-UHFFFAOYSA-N 1 3 359.901 3.230 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407628 496999747 /nfs/dbraw/zinc/99/97/47/496999747.db2.gz UNJUPVGWFATFQQ-NJDAHSKKSA-N 1 3 357.542 3.039 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433634 497010312 /nfs/dbraw/zinc/01/03/12/497010312.db2.gz DITZSQBXVNUZME-QZTJIDSGSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433634 497010318 /nfs/dbraw/zinc/01/03/18/497010318.db2.gz DITZSQBXVNUZME-QZTJIDSGSA-N 1 3 357.523 3.185 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000248456232 497017023 /nfs/dbraw/zinc/01/70/23/497017023.db2.gz SDQDTXYNEZCLDL-HNAYVOBHSA-N 1 3 358.457 3.252 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000248456232 497017029 /nfs/dbraw/zinc/01/70/29/497017029.db2.gz SDQDTXYNEZCLDL-HNAYVOBHSA-N 1 3 358.457 3.252 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CSCCc3ccccc32)C1 ZINC000248461022 497020239 /nfs/dbraw/zinc/02/02/39/497020239.db2.gz XCLNYNYZRHUAKE-IRLDBZIGSA-N 1 3 368.546 3.373 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CSCCc3ccccc32)C1 ZINC000248461022 497020240 /nfs/dbraw/zinc/02/02/40/497020240.db2.gz XCLNYNYZRHUAKE-IRLDBZIGSA-N 1 3 368.546 3.373 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCCCC2 ZINC000248463700 497020411 /nfs/dbraw/zinc/02/04/11/497020411.db2.gz ZCAZHTKIXFDSLO-BHIFYINESA-N 1 3 372.553 3.471 20 0 FGADHO CN(C[C@@H](O)CCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248540093 497034449 /nfs/dbraw/zinc/03/44/49/497034449.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 1 3 352.522 3.434 20 0 FGADHO CN(C[C@@H](O)CCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248540093 497034454 /nfs/dbraw/zinc/03/44/54/497034454.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 1 3 352.522 3.434 20 0 FGADHO C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248585289 497048373 /nfs/dbraw/zinc/04/83/73/497048373.db2.gz PWGWUPIOVBYTFS-YQVWRLOYSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248585289 497048378 /nfs/dbraw/zinc/04/83/78/497048378.db2.gz PWGWUPIOVBYTFS-YQVWRLOYSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000248585289 497048385 /nfs/dbraw/zinc/04/83/85/497048385.db2.gz PWGWUPIOVBYTFS-YQVWRLOYSA-N 1 3 371.525 3.150 20 0 FGADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000248684295 497079324 /nfs/dbraw/zinc/07/93/24/497079324.db2.gz FUROKOXQMWVRIV-ULQDDVLXSA-N 1 3 350.551 3.487 20 0 FGADHO COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)no1 ZINC000192340224 497079470 /nfs/dbraw/zinc/07/94/70/497079470.db2.gz OHMSAEGNZHSYJO-KRWDZBQOSA-N 1 3 370.497 3.409 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000265424176 497117102 /nfs/dbraw/zinc/11/71/02/497117102.db2.gz KDZCDYJJPYQLAL-UHFFFAOYSA-N 1 3 371.447 3.045 20 0 FGADHO C[C@@H](CC[NH2+]C[C@@H](O)COCc1ccccc1Cl)N1CCCCC1 ZINC000569233010 505885678 /nfs/dbraw/zinc/88/56/78/505885678.db2.gz RWWZRIDDDVGKAQ-FUHWJXTLSA-N 1 3 354.922 3.072 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](CN)c3ccccc3)c2)CC1 ZINC000236639360 497125358 /nfs/dbraw/zinc/12/53/58/497125358.db2.gz ZJVJPZXEJIVZEM-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CC1CCN([C@H](CNC(=O)CCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236659427 497128723 /nfs/dbraw/zinc/12/87/23/497128723.db2.gz IBHQMWVKZAIPMC-OAQYLSRUSA-N 1 3 357.542 3.356 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236800640 497147427 /nfs/dbraw/zinc/14/74/27/497147427.db2.gz ANQPZCJLAPSWDM-SFHVURJKSA-N 1 3 371.447 3.075 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236894841 497164759 /nfs/dbraw/zinc/16/47/59/497164759.db2.gz NOVDXXITVIJSNI-OAQYLSRUSA-N 1 3 357.542 3.137 20 0 FGADHO CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249299962 497190333 /nfs/dbraw/zinc/19/03/33/497190333.db2.gz NZQWBIITBPLXBR-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249581610 497224236 /nfs/dbraw/zinc/22/42/36/497224236.db2.gz NMFIGQMFXOCXHU-DENIHFKCSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249581610 497224241 /nfs/dbraw/zinc/22/42/41/497224241.db2.gz NMFIGQMFXOCXHU-DENIHFKCSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@](CO)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237635787 497266775 /nfs/dbraw/zinc/26/67/75/497266775.db2.gz HCUMFYLZOPKHOP-JOCHJYFZSA-N 1 3 354.494 3.159 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000193003812 497271666 /nfs/dbraw/zinc/27/16/66/497271666.db2.gz SNFOOXQEXCTZDJ-UNMCSNQZSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237678429 497275114 /nfs/dbraw/zinc/27/51/14/497275114.db2.gz KCMRRUKLJLUGIA-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000252007103 497294158 /nfs/dbraw/zinc/29/41/58/497294158.db2.gz XWVMPXZMLUZFNB-KAGYGMCKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000252007103 497294161 /nfs/dbraw/zinc/29/41/61/497294161.db2.gz XWVMPXZMLUZFNB-KAGYGMCKSA-N 1 3 372.557 3.023 20 0 FGADHO NC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237826055 497296991 /nfs/dbraw/zinc/29/69/91/497296991.db2.gz GRUORNOATDBNMR-QFIPXVFZSA-N 1 3 365.521 3.421 20 0 FGADHO [NH3+][C@@H](CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000237945833 497318191 /nfs/dbraw/zinc/31/81/91/497318191.db2.gz NMUBLWLVHHKKFB-SFTDATJTSA-N 1 3 351.494 3.420 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000190144244 497373649 /nfs/dbraw/zinc/37/36/49/497373649.db2.gz LEVCNKKLUITKQE-HXUWFJFHSA-N 1 3 360.546 3.115 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904601 /nfs/dbraw/zinc/90/46/01/505904601.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 1 3 371.569 3.474 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904603 /nfs/dbraw/zinc/90/46/03/505904603.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 1 3 371.569 3.474 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275921844 497463750 /nfs/dbraw/zinc/46/37/50/497463750.db2.gz QCTYGDAVMKERQI-CQSZACIVSA-N 1 3 359.333 3.008 20 0 FGADHO COCCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000245623845 497479154 /nfs/dbraw/zinc/47/91/54/497479154.db2.gz SDJNEYHWBXSKAA-JYJNAYRXSA-N 1 3 369.575 3.180 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245657754 497490959 /nfs/dbraw/zinc/49/09/59/497490959.db2.gz CUDZEBFMOYYPBP-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(-c2ccccc2)s1 ZINC000262065981 497502368 /nfs/dbraw/zinc/50/23/68/497502368.db2.gz ROWDPTAGLPGSFI-QGZVFWFLSA-N 1 3 357.523 3.235 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917832 497519934 /nfs/dbraw/zinc/51/99/34/497519934.db2.gz WQNDTPRRPUPKOL-NRFANRHFSA-N 1 3 356.535 3.276 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262176839 497520352 /nfs/dbraw/zinc/52/03/52/497520352.db2.gz BDEGMYKRIZXVDT-UUVDZOIZSA-N 1 3 369.553 3.229 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262261725 497531539 /nfs/dbraw/zinc/53/15/39/497531539.db2.gz JLXOJAMMAFNCGQ-IKCASOAWSA-N 1 3 369.553 3.309 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Br)cs1 ZINC000193965749 497534421 /nfs/dbraw/zinc/53/44/21/497534421.db2.gz IITTXRAISJNRCI-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193972743 497536596 /nfs/dbraw/zinc/53/65/96/497536596.db2.gz ZOFODQBOPOIJNI-STQMWFEESA-N 1 3 360.365 3.187 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193973470 497537403 /nfs/dbraw/zinc/53/74/03/497537403.db2.gz QBOFDIVKRJFPBJ-SFHVURJKSA-N 1 3 366.347 3.052 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578316173 505913179 /nfs/dbraw/zinc/91/31/79/505913179.db2.gz PUJGSPWVSYKWBT-NRFANRHFSA-N 1 3 354.494 3.120 20 0 FGADHO CC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000262660008 497594513 /nfs/dbraw/zinc/59/45/13/497594513.db2.gz FUMHYGNTUSQDNC-WTOYTKOKSA-N 1 3 365.521 3.276 20 0 FGADHO CCC(CC)(CNC(=O)[C@H](N)CCSC)[NH2+][C@H](C)c1ccccc1 ZINC000272470848 497638126 /nfs/dbraw/zinc/63/81/26/497638126.db2.gz QDVBVGQAMWDECO-NVXWUHKLSA-N 1 3 351.560 3.093 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)Cc1ccccc1 ZINC000246148959 497638853 /nfs/dbraw/zinc/63/88/53/497638853.db2.gz KCJBFWJDCRQLKO-TYPHKJRUSA-N 1 3 374.573 3.064 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@H]21 ZINC000572229116 505919727 /nfs/dbraw/zinc/91/97/27/505919727.db2.gz CRBQSPWGPZENHZ-AEGPPILISA-N 1 3 367.287 3.140 20 0 FGADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272529232 497652655 /nfs/dbraw/zinc/65/26/55/497652655.db2.gz AIIJNQRUSDOVKH-HKUYNNGSSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](NCCNC(=O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529232 497652659 /nfs/dbraw/zinc/65/26/59/497652659.db2.gz AIIJNQRUSDOVKH-HKUYNNGSSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](NCCNC(=O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529232 497652663 /nfs/dbraw/zinc/65/26/63/497652663.db2.gz AIIJNQRUSDOVKH-HKUYNNGSSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565371 497664357 /nfs/dbraw/zinc/66/43/57/497664357.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565371 497664358 /nfs/dbraw/zinc/66/43/58/497664358.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000194474454 497679774 /nfs/dbraw/zinc/67/97/74/497679774.db2.gz VOZZDAREGZQUGT-NRFANRHFSA-N 1 3 355.526 3.123 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246348019 497703448 /nfs/dbraw/zinc/70/34/48/497703448.db2.gz JOSYUAHWYBHFJM-HSALFYBXSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246348019 497703451 /nfs/dbraw/zinc/70/34/51/497703451.db2.gz JOSYUAHWYBHFJM-HSALFYBXSA-N 1 3 364.578 3.157 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033824 497721866 /nfs/dbraw/zinc/72/18/66/497721866.db2.gz BIDLCJUTWOOQAF-INIZCTEOSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033824 497721869 /nfs/dbraw/zinc/72/18/69/497721869.db2.gz BIDLCJUTWOOQAF-INIZCTEOSA-N 1 3 368.319 3.194 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246409132 497724530 /nfs/dbraw/zinc/72/45/30/497724530.db2.gz DYTCHRQKVKHOJN-PMXSJFBMSA-N 1 3 372.557 3.212 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246444850 497736293 /nfs/dbraw/zinc/73/62/93/497736293.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246444850 497736295 /nfs/dbraw/zinc/73/62/95/497736295.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1cc(C2CCN(CCC[NH+]3CCC(c4cc(C)[nH]n4)CC3)CC2)n[nH]1 ZINC000272882070 497751915 /nfs/dbraw/zinc/75/19/15/497751915.db2.gz CMLQUVFDVNCFBW-UHFFFAOYSA-N 1 3 370.545 3.199 20 0 FGADHO Cc1cc(C2CCN(CCC[NH+]3CCC(c4cc(C)n[nH]4)CC3)CC2)[nH]n1 ZINC000272882070 497751919 /nfs/dbraw/zinc/75/19/19/497751919.db2.gz CMLQUVFDVNCFBW-UHFFFAOYSA-N 1 3 370.545 3.199 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750755 497760068 /nfs/dbraw/zinc/76/00/68/497760068.db2.gz URCDHHZUKIOWMI-NHCUHLMSSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750755 497760074 /nfs/dbraw/zinc/76/00/74/497760074.db2.gz URCDHHZUKIOWMI-NHCUHLMSSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246910751 497820003 /nfs/dbraw/zinc/82/00/03/497820003.db2.gz FWNPXHASBVRQIM-SQNIBIBYSA-N 1 3 362.514 3.215 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548355 497825392 /nfs/dbraw/zinc/82/53/92/497825392.db2.gz XVNPTCCIGBQDCT-DLBZAZTESA-N 1 3 356.432 3.388 20 0 FGADHO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@]4(CCN(C)C4)C3)n2)cc1F ZINC000292057328 497860206 /nfs/dbraw/zinc/86/02/06/497860206.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 1 3 358.461 3.144 20 0 FGADHO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@]4(CCN(C)C4)C3)n2)cc1F ZINC000292057328 497860213 /nfs/dbraw/zinc/86/02/13/497860213.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 1 3 358.461 3.144 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000572319055 505940340 /nfs/dbraw/zinc/94/03/40/505940340.db2.gz FIBSWLMDMZUJFK-RXVVDRJESA-N 1 3 369.509 3.280 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccc4c(c3)CCC(C)(C)O4)CC2)CC1 ZINC000578579713 505971752 /nfs/dbraw/zinc/97/17/52/505971752.db2.gz HICMFQHTAUNNFU-UHFFFAOYSA-N 1 3 371.569 3.250 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419211 505984681 /nfs/dbraw/zinc/98/46/81/505984681.db2.gz NTGHGVPRCCNGSH-KJNZLNQQSA-N 1 3 372.557 3.182 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419211 505984686 /nfs/dbraw/zinc/98/46/86/505984686.db2.gz NTGHGVPRCCNGSH-KJNZLNQQSA-N 1 3 372.557 3.182 20 0 FGADHO CC1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000572511539 505986661 /nfs/dbraw/zinc/98/66/61/505986661.db2.gz DJUFEZKPQFHNKC-UHFFFAOYSA-N 1 3 369.553 3.281 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927846 498214157 /nfs/dbraw/zinc/21/41/57/498214157.db2.gz CPJHCUNSNJGAHV-PFDCGNQRSA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927846 498214165 /nfs/dbraw/zinc/21/41/65/498214165.db2.gz CPJHCUNSNJGAHV-PFDCGNQRSA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927846 498214169 /nfs/dbraw/zinc/21/41/69/498214169.db2.gz CPJHCUNSNJGAHV-PFDCGNQRSA-N 1 3 369.553 3.025 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3ncc(Cl)n3C)CC2)cc1 ZINC000281619478 498215661 /nfs/dbraw/zinc/21/56/61/498215661.db2.gz HGTKOJBTLUKRDB-UHFFFAOYSA-N 1 3 362.905 3.084 20 0 FGADHO NC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730482 506007585 /nfs/dbraw/zinc/00/75/85/506007585.db2.gz FYYIOPXUNPBXNG-LEWJYISDSA-N 1 3 366.509 3.109 20 0 FGADHO OC1CC[NH+](CCCN[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286030020 498272453 /nfs/dbraw/zinc/27/24/53/498272453.db2.gz KCPMTBKTEHDHFP-SFHVURJKSA-N 1 3 372.431 3.473 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000365070825 498283356 /nfs/dbraw/zinc/28/33/56/498283356.db2.gz YOAIXMJEHGKXAG-ACIOBRDBSA-N 1 3 372.553 3.328 20 0 FGADHO COC(=O)c1csc([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000286212648 498326831 /nfs/dbraw/zinc/32/68/31/498326831.db2.gz SCGWVBSXIWQCDV-AWEZNQCLSA-N 1 3 359.495 3.497 20 0 FGADHO CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289948367 498366459 /nfs/dbraw/zinc/36/64/59/498366459.db2.gz XHZSAWJQFKWYKK-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3cccc(O)c3)CC2)CC1 ZINC000581616601 506029583 /nfs/dbraw/zinc/02/95/83/506029583.db2.gz RMTHPPSSZZNUQO-KRWDZBQOSA-N 1 3 373.541 3.108 20 0 FGADHO COc1ccccc1OC[C@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297359068 498419469 /nfs/dbraw/zinc/41/94/69/498419469.db2.gz FREGMSLADKKSPR-QGZVFWFLSA-N 1 3 355.482 3.364 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463367 /nfs/dbraw/zinc/46/33/67/498463367.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 1 3 350.503 3.136 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463376 /nfs/dbraw/zinc/46/33/76/498463376.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 1 3 350.503 3.136 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463381 /nfs/dbraw/zinc/46/33/81/498463381.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 1 3 350.503 3.136 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463388 /nfs/dbraw/zinc/46/33/88/498463388.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 1 3 350.503 3.136 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042797 /nfs/dbraw/zinc/04/27/97/506042797.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 1 3 373.585 3.331 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042798 /nfs/dbraw/zinc/04/27/98/506042798.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 1 3 373.585 3.331 20 0 FGADHO COCCn1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293946981 498541025 /nfs/dbraw/zinc/54/10/25/498541025.db2.gz OROGEANECZVXMX-UHFFFAOYSA-N 1 3 368.525 3.018 20 0 FGADHO COCCCC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000282562629 498560299 /nfs/dbraw/zinc/56/02/99/498560299.db2.gz DUIQDBPJNHLOEH-UHFFFAOYSA-N 1 3 361.574 3.331 20 0 FGADHO COCCCC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000282562629 498560303 /nfs/dbraw/zinc/56/03/03/498560303.db2.gz DUIQDBPJNHLOEH-UHFFFAOYSA-N 1 3 361.574 3.331 20 0 FGADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939594 506055594 /nfs/dbraw/zinc/05/55/94/506055594.db2.gz GZHRHZGIOSBFMZ-HNNXBMFYSA-N 1 3 354.441 3.460 20 0 FGADHO C[C@@H](CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000569961183 506056969 /nfs/dbraw/zinc/05/69/69/506056969.db2.gz ADBOSMJQFJZUNH-DOTOQJQBSA-N 1 3 358.448 3.463 20 0 FGADHO c1sc(-c2ccccc2)nc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000569931935 506050809 /nfs/dbraw/zinc/05/08/09/506050809.db2.gz QRLLPNVYQYHELV-GOSISDBHSA-N 1 3 370.566 3.317 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H]1SC ZINC000298040216 498645958 /nfs/dbraw/zinc/64/59/58/498645958.db2.gz HGNPLIZLFDMBAU-VAMGGRTRSA-N 1 3 364.555 3.158 20 0 FGADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078235 498646639 /nfs/dbraw/zinc/64/66/39/498646639.db2.gz SHBWJSXZIIGVQO-ICSRJNTNSA-N 1 3 363.521 3.130 20 0 FGADHO COc1cc2nccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1OC ZINC000298241236 498707521 /nfs/dbraw/zinc/70/75/21/498707521.db2.gz LWQVJFBCEXRMPT-HNNXBMFYSA-N 1 3 371.481 3.165 20 0 FGADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312592134 498761194 /nfs/dbraw/zinc/76/11/94/498761194.db2.gz XDHWKAMZKOAMCI-CEMLEFRQSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592134 498761203 /nfs/dbraw/zinc/76/12/03/498761203.db2.gz XDHWKAMZKOAMCI-CEMLEFRQSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592134 498761209 /nfs/dbraw/zinc/76/12/09/498761209.db2.gz XDHWKAMZKOAMCI-CEMLEFRQSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581931427 506093055 /nfs/dbraw/zinc/09/30/55/506093055.db2.gz WEJFJNSEUAKLRZ-YLJYHZDGSA-N 1 3 374.529 3.285 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000320728118 498808747 /nfs/dbraw/zinc/80/87/47/498808747.db2.gz NCAGABKKPUJXTK-UKRRQHHQSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000320728119 498809514 /nfs/dbraw/zinc/80/95/14/498809514.db2.gz NCAGABKKPUJXTK-ZFWWWQNUSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CN1CCCC1 ZINC000320702074 498809668 /nfs/dbraw/zinc/80/96/68/498809668.db2.gz INZRMFZPCWVRKN-ZIAGYGMSSA-N 1 3 361.313 3.055 20 0 FGADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(=O)OC)cc1 ZINC000294836198 498820806 /nfs/dbraw/zinc/82/08/06/498820806.db2.gz RMAJLSZTLYLONT-LJQANCHMSA-N 1 3 371.481 3.050 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000298601347 498826421 /nfs/dbraw/zinc/82/64/21/498826421.db2.gz ZCVBZCKYXSTWOY-OAHLLOKOSA-N 1 3 350.466 3.286 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000570204220 506114913 /nfs/dbraw/zinc/11/49/13/506114913.db2.gz NFVMEAMNIVXDRH-UHFFFAOYSA-N 1 3 363.521 3.194 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941130 /nfs/dbraw/zinc/94/11/30/498941130.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 1 3 355.526 3.191 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941136 /nfs/dbraw/zinc/94/11/36/498941136.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 1 3 355.526 3.191 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000366757230 499061367 /nfs/dbraw/zinc/06/13/67/499061367.db2.gz RKEASVYUPPGHLN-RBUKOAKNSA-N 1 3 356.514 3.177 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293456 506135354 /nfs/dbraw/zinc/13/53/54/506135354.db2.gz LILBDDBTISXPDA-HIFRSBDPSA-N 1 3 369.431 3.170 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000367042128 499138834 /nfs/dbraw/zinc/13/88/34/499138834.db2.gz DMBQRJYJRXEORQ-QFIPXVFZSA-N 1 3 359.558 3.160 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1OC ZINC000367066438 499142732 /nfs/dbraw/zinc/14/27/32/499142732.db2.gz JNLVMGKAAOOCGB-LYLBAIIYSA-N 1 3 373.541 3.245 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@H]3CCN(C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334946 499183210 /nfs/dbraw/zinc/18/32/10/499183210.db2.gz SLFWGUHTFSCHCI-AEFFLSMTSA-N 1 3 355.511 3.190 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000370579623 499233254 /nfs/dbraw/zinc/23/32/54/499233254.db2.gz LURHHBLRIOQMMQ-CBNMVNINSA-N 1 3 370.541 3.140 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000370645699 499239517 /nfs/dbraw/zinc/23/95/17/499239517.db2.gz LOZWHRXJMLBGJU-ROUUACIJSA-N 1 3 365.587 3.192 20 0 FGADHO [NH3+]Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000370764425 499252550 /nfs/dbraw/zinc/25/25/50/499252550.db2.gz ZRKTWFIUMCPSJW-QHCPKHFHSA-N 1 3 363.505 3.274 20 0 FGADHO C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007211 499279796 /nfs/dbraw/zinc/27/97/96/499279796.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007211 499279797 /nfs/dbraw/zinc/27/97/97/499279797.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000368650925 499317241 /nfs/dbraw/zinc/31/72/41/499317241.db2.gz RHFVHLDIIQDWRA-IVCWUUCSSA-N 1 3 360.542 3.296 20 0 FGADHO COc1ccccc1C[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000369182806 499375292 /nfs/dbraw/zinc/37/52/92/499375292.db2.gz IUNKSGMJWFOCLW-OAQYLSRUSA-N 1 3 373.585 3.366 20 0 FGADHO COc1ccccc1C[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000369182806 499375293 /nfs/dbraw/zinc/37/52/93/499375293.db2.gz IUNKSGMJWFOCLW-OAQYLSRUSA-N 1 3 373.585 3.366 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515172 499411264 /nfs/dbraw/zinc/41/12/64/499411264.db2.gz HQMUKSDWYZBQPU-SZVBFZGTSA-N 1 3 374.554 3.128 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515172 499411265 /nfs/dbraw/zinc/41/12/65/499411265.db2.gz HQMUKSDWYZBQPU-SZVBFZGTSA-N 1 3 374.554 3.128 20 0 FGADHO C[N@H+](CCCNC(=O)C1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000369662467 499433202 /nfs/dbraw/zinc/43/32/02/499433202.db2.gz QYRNMUNOQIDZNL-UHFFFAOYSA-N 1 3 372.557 3.064 20 0 FGADHO C[N@@H+](CCCNC(=O)C1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000369662467 499433204 /nfs/dbraw/zinc/43/32/04/499433204.db2.gz QYRNMUNOQIDZNL-UHFFFAOYSA-N 1 3 372.557 3.064 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC000373034898 499448247 /nfs/dbraw/zinc/44/82/47/499448247.db2.gz KBZHHDJBGWOUFY-LJQANCHMSA-N 1 3 357.542 3.332 20 0 FGADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000373380088 499466366 /nfs/dbraw/zinc/46/63/66/499466366.db2.gz YXZKAPUWCZQQFI-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000373380088 499466367 /nfs/dbraw/zinc/46/63/67/499466367.db2.gz YXZKAPUWCZQQFI-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(CN2CCC[C@]23CCOC3)c1 ZINC000375278184 499502627 /nfs/dbraw/zinc/50/26/27/499502627.db2.gz KGPFNJXVVVYOPC-FGZHOGPDSA-N 1 3 356.510 3.196 20 0 FGADHO c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(CN2CCC[C@]23CCOC3)c1 ZINC000375278184 499502628 /nfs/dbraw/zinc/50/26/28/499502628.db2.gz KGPFNJXVVVYOPC-FGZHOGPDSA-N 1 3 356.510 3.196 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593647 499536042 /nfs/dbraw/zinc/53/60/42/499536042.db2.gz YYOKFOAERJTNSP-OFAXGOBFSA-N 1 3 365.521 3.464 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622935 499541960 /nfs/dbraw/zinc/54/19/60/499541960.db2.gz HOUMROKIOJSUNH-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622935 499541963 /nfs/dbraw/zinc/54/19/63/499541963.db2.gz HOUMROKIOJSUNH-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000389105746 499552287 /nfs/dbraw/zinc/55/22/87/499552287.db2.gz PBMVOCMEGIYPLU-XLIONFOSSA-N 1 3 352.478 3.458 20 0 FGADHO Cc1nc(C)c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397558845 499564166 /nfs/dbraw/zinc/56/41/66/499564166.db2.gz RVEPCFVQAKEMRP-HNNXBMFYSA-N 1 3 359.539 3.438 20 0 FGADHO CN1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)(N2CCCCC2)CC1 ZINC000376130534 499585205 /nfs/dbraw/zinc/58/52/05/499585205.db2.gz ISLLAWDCMWQWND-FQEVSTJZSA-N 1 3 360.521 3.212 20 0 FGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296057 499598399 /nfs/dbraw/zinc/59/83/99/499598399.db2.gz LMXDLBDRUICIBK-GUDVDZBRSA-N 1 3 363.546 3.406 20 0 FGADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccncc1-c1cccnc1 ZINC000376713864 499631199 /nfs/dbraw/zinc/63/11/99/499631199.db2.gz AMXXHDOETVZWBL-OAQYLSRUSA-N 1 3 374.488 3.134 20 0 FGADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ccncc1-c1cccnc1 ZINC000376713864 499631201 /nfs/dbraw/zinc/63/12/01/499631201.db2.gz AMXXHDOETVZWBL-OAQYLSRUSA-N 1 3 374.488 3.134 20 0 FGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982968 499651668 /nfs/dbraw/zinc/65/16/68/499651668.db2.gz PASYKSUCXXBHIY-PXNSSMCTSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000410352035 499656927 /nfs/dbraw/zinc/65/69/27/499656927.db2.gz HDNPFSZDXSLQDO-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000410352035 499656929 /nfs/dbraw/zinc/65/69/29/499656929.db2.gz HDNPFSZDXSLQDO-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626232 499712218 /nfs/dbraw/zinc/71/22/18/499712218.db2.gz MEAAAGDZOBJFSL-UGKGYDQZSA-N 1 3 357.542 3.173 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626232 499712220 /nfs/dbraw/zinc/71/22/20/499712220.db2.gz MEAAAGDZOBJFSL-UGKGYDQZSA-N 1 3 357.542 3.173 20 0 FGADHO CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278356 499720790 /nfs/dbraw/zinc/72/07/90/499720790.db2.gz AGKOFLMMRCOYFF-FGZHOGPDSA-N 1 3 372.553 3.424 20 0 FGADHO CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279719 499720960 /nfs/dbraw/zinc/72/09/60/499720960.db2.gz CJCWWZSDTCJGMO-VXKWHMMOSA-N 1 3 372.553 3.424 20 0 FGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000411320623 499725610 /nfs/dbraw/zinc/72/56/10/499725610.db2.gz BMKIBGSCUPIFKB-JOCHJYFZSA-N 1 3 358.526 3.442 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000377763206 499730048 /nfs/dbraw/zinc/73/00/48/499730048.db2.gz RDAUZXHXSMCJBN-RXVVDRJESA-N 1 3 370.493 3.495 20 0 FGADHO CN(C)C(=O)CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411500479 499747934 /nfs/dbraw/zinc/74/79/34/499747934.db2.gz SXTCBQPPGXJNCX-UHFFFAOYSA-N 1 3 357.542 3.363 20 0 FGADHO CC(=O)N[C@@H](C)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411554996 499762532 /nfs/dbraw/zinc/76/25/32/499762532.db2.gz UZHVOWRXPPPQEN-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO CN1CCC(C[NH2+][C@@H](c2ccccc2)C2CCCC2)(N2CCOCC2)CC1 ZINC000414207665 499768517 /nfs/dbraw/zinc/76/85/17/499768517.db2.gz ZSIAVSDZJGKFQZ-QFIPXVFZSA-N 1 3 371.569 3.304 20 0 FGADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414207150 499768533 /nfs/dbraw/zinc/76/85/33/499768533.db2.gz ZDHJTJHTGRBOFN-HXUWFJFHSA-N 1 3 351.579 3.122 20 0 FGADHO CC1(C)CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414320200 499777308 /nfs/dbraw/zinc/77/73/08/499777308.db2.gz BLIDZXCKBPEDSV-FQEVSTJZSA-N 1 3 357.542 3.442 20 0 FGADHO CC(C)=CCC[C@@H](C)CC[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414480792 499797516 /nfs/dbraw/zinc/79/75/16/499797516.db2.gz JVHHBZUHXBVLTE-HXUWFJFHSA-N 1 3 351.579 3.145 20 0 FGADHO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738558 499825352 /nfs/dbraw/zinc/82/53/52/499825352.db2.gz PHEVJMGIKZHXQZ-STQMWFEESA-N 1 3 358.313 3.184 20 0 FGADHO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738558 499825354 /nfs/dbraw/zinc/82/53/54/499825354.db2.gz PHEVJMGIKZHXQZ-STQMWFEESA-N 1 3 358.313 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414797209 499832300 /nfs/dbraw/zinc/83/23/00/499832300.db2.gz IHHULTKWXORASK-QGPMSJSTSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414797209 499832302 /nfs/dbraw/zinc/83/23/02/499832302.db2.gz IHHULTKWXORASK-QGPMSJSTSA-N 1 3 351.922 3.184 20 0 FGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Br)c(Br)c1 ZINC000414795720 499832308 /nfs/dbraw/zinc/83/23/08/499832308.db2.gz HAAKFNVPLQQYAN-ZWNOBZJWSA-N 1 3 362.109 3.429 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853041 499838149 /nfs/dbraw/zinc/83/81/49/499838149.db2.gz KNMSVPQANPTALI-BFYDXBDKSA-N 1 3 351.922 3.055 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858886 499838487 /nfs/dbraw/zinc/83/84/87/499838487.db2.gz STPOBXPVJZYQNY-RDBSUJKOSA-N 1 3 357.420 3.400 20 0 FGADHO COCC1(CNCc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000414978033 499850691 /nfs/dbraw/zinc/85/06/91/499850691.db2.gz SCQWXSAJYWKXPR-UHFFFAOYSA-N 1 3 361.711 3.208 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004144 499854125 /nfs/dbraw/zinc/85/41/25/499854125.db2.gz NWFXCVPUPQSFHY-DOMZBBRYSA-N 1 3 363.303 3.446 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415065885 499860393 /nfs/dbraw/zinc/86/03/93/499860393.db2.gz NXHJKXNDLIERJS-KDOFPFPSSA-N 1 3 351.922 3.184 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312463 499885705 /nfs/dbraw/zinc/88/57/05/499885705.db2.gz SXALMCPZNADJFE-UHFFFAOYSA-N 1 3 362.518 3.190 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415880228 499923840 /nfs/dbraw/zinc/92/38/40/499923840.db2.gz FEDBQUHUQXWUPF-SFHVURJKSA-N 1 3 370.541 3.452 20 0 FGADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415884269 499924331 /nfs/dbraw/zinc/92/43/31/499924331.db2.gz PGUSLSSPKUXFGD-FQEVSTJZSA-N 1 3 352.482 3.065 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415898075 499925640 /nfs/dbraw/zinc/92/56/40/499925640.db2.gz GXGWXRJCRPGCGG-LPHOPBHVSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000415905505 499926485 /nfs/dbraw/zinc/92/64/85/499926485.db2.gz UXTPOSMMGWYYMW-GOSISDBHSA-N 1 3 366.509 3.392 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954618 499932915 /nfs/dbraw/zinc/93/29/15/499932915.db2.gz KXFLEDOOJAOKHK-BLLLJJGKSA-N 1 3 372.435 3.358 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954618 499932917 /nfs/dbraw/zinc/93/29/17/499932917.db2.gz KXFLEDOOJAOKHK-BLLLJJGKSA-N 1 3 372.435 3.358 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415955420 499933133 /nfs/dbraw/zinc/93/31/33/499933133.db2.gz MMDXQJWDUVRGQQ-HNNXBMFYSA-N 1 3 358.408 3.112 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415959479 499933651 /nfs/dbraw/zinc/93/36/51/499933651.db2.gz ZHYQCWLOIVPIFG-GFCCVEGCSA-N 1 3 372.435 3.358 20 0 FGADHO CC(C)(CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415967989 499935117 /nfs/dbraw/zinc/93/51/17/499935117.db2.gz IPSIJOIQVRKXHO-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000415978246 499936576 /nfs/dbraw/zinc/93/65/76/499936576.db2.gz XJDYAYPUZDJKHB-ZDUSSCGKSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000415978246 499936578 /nfs/dbraw/zinc/93/65/78/499936578.db2.gz XJDYAYPUZDJKHB-ZDUSSCGKSA-N 1 3 372.435 3.406 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092798 499951062 /nfs/dbraw/zinc/95/10/62/499951062.db2.gz ODLYNVIDDWUMNW-FQEVSTJZSA-N 1 3 358.530 3.273 20 0 FGADHO C[C@H](NC(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189163 499974297 /nfs/dbraw/zinc/97/42/97/499974297.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](NC(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189163 499974303 /nfs/dbraw/zinc/97/43/03/499974303.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 1 3 369.553 3.204 20 0 FGADHO CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351258 500023194 /nfs/dbraw/zinc/02/31/94/500023194.db2.gz MHQSVBUUBUQEHI-FNAHDJPLSA-N 1 3 369.553 3.135 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000421352084 500024167 /nfs/dbraw/zinc/02/41/67/500024167.db2.gz CUFWCEMFWGVFGS-UHFFFAOYSA-N 1 3 369.553 3.378 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000417311985 500036575 /nfs/dbraw/zinc/03/65/75/500036575.db2.gz MWSYFIGNXVWXKU-OXJNMPFZSA-N 1 3 354.498 3.117 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000429522625 500092689 /nfs/dbraw/zinc/09/26/89/500092689.db2.gz PVCMHJACPZFDRM-OXJNMPFZSA-N 1 3 369.484 3.374 20 0 FGADHO CC(C)(C)N1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485336 500120192 /nfs/dbraw/zinc/12/01/92/500120192.db2.gz TVZVEGKCUWWUKH-FQEVSTJZSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000417644549 500135891 /nfs/dbraw/zinc/13/58/91/500135891.db2.gz AJPUHKOZRFJMOM-UWJYYQICSA-N 1 3 366.509 3.170 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000416880416 500146536 /nfs/dbraw/zinc/14/65/36/500146536.db2.gz DYQUCNFTHQYIFL-UHFFFAOYSA-N 1 3 366.509 3.131 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417693508 500150285 /nfs/dbraw/zinc/15/02/85/500150285.db2.gz QKYOFVACBREGJU-ZEDDUWKQSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417696431 500151108 /nfs/dbraw/zinc/15/11/08/500151108.db2.gz VJSHWVAEEUWQJQ-KRWDZBQOSA-N 1 3 358.530 3.173 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104454 500154428 /nfs/dbraw/zinc/15/44/28/500154428.db2.gz FVXCVJRGMUYHKC-FXAWDEMLSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104454 500154431 /nfs/dbraw/zinc/15/44/31/500154431.db2.gz FVXCVJRGMUYHKC-FXAWDEMLSA-N 1 3 354.494 3.421 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820745 500159865 /nfs/dbraw/zinc/15/98/65/500159865.db2.gz NOTFNIPCIZXUNA-NRFANRHFSA-N 1 3 363.521 3.293 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824629 500160179 /nfs/dbraw/zinc/16/01/79/500160179.db2.gz JOYMULRYNQAXQV-IERDGZPVSA-N 1 3 363.521 3.149 20 0 FGADHO COC1([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCCCC1 ZINC000421831119 500161422 /nfs/dbraw/zinc/16/14/22/500161422.db2.gz KYROZRGUGSYZSZ-LJQANCHMSA-N 1 3 351.579 3.264 20 0 FGADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000421835342 500161856 /nfs/dbraw/zinc/16/18/56/500161856.db2.gz PVMDRZIZCCSMBG-GOSISDBHSA-N 1 3 360.542 3.471 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000416969902 500170175 /nfs/dbraw/zinc/17/01/75/500170175.db2.gz LXRXOSMQACOONW-UHFFFAOYSA-N 1 3 366.509 3.129 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000416969902 500170179 /nfs/dbraw/zinc/17/01/79/500170179.db2.gz LXRXOSMQACOONW-UHFFFAOYSA-N 1 3 366.509 3.129 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000417796446 500174196 /nfs/dbraw/zinc/17/41/96/500174196.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000417796446 500174198 /nfs/dbraw/zinc/17/41/98/500174198.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 1 3 365.521 3.342 20 0 FGADHO COc1ccccc1-c1ncc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077112 500189018 /nfs/dbraw/zinc/18/90/18/500189018.db2.gz GKADUIZYQDBKQZ-IBGZPJMESA-N 1 3 366.509 3.316 20 0 FGADHO CCn1nncc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417891353 500192767 /nfs/dbraw/zinc/19/27/67/500192767.db2.gz BXZYRDBFGPGVLQ-UHFFFAOYSA-N 1 3 355.530 3.123 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950166 500203115 /nfs/dbraw/zinc/20/31/15/500203115.db2.gz VVXYHDUDNBCINY-PCCBWWKXSA-N 1 3 366.509 3.211 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417980050 500208587 /nfs/dbraw/zinc/20/85/87/500208587.db2.gz JSVUUSFWDXNMMP-SJORKVTESA-N 1 3 354.498 3.026 20 0 FGADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950066 500215635 /nfs/dbraw/zinc/21/56/35/500215635.db2.gz IRIVXZBTDZGXCO-YPAWHYETSA-N 1 3 372.553 3.320 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000422186683 500229574 /nfs/dbraw/zinc/22/95/74/500229574.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000422186683 500229577 /nfs/dbraw/zinc/22/95/77/500229577.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000418175989 500242597 /nfs/dbraw/zinc/24/25/97/500242597.db2.gz GNDRHSKTYGPAAA-YLJYHZDGSA-N 1 3 360.546 3.228 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)C ZINC000418182908 500244212 /nfs/dbraw/zinc/24/42/12/500244212.db2.gz NJVCOFLIOLPXHW-WMQCIHAUSA-N 1 3 372.557 3.160 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ccn(C)c43)CC2)CC1 ZINC000573385119 506184845 /nfs/dbraw/zinc/18/48/45/506184845.db2.gz OXEKUALFPIVKFP-UHFFFAOYSA-N 1 3 368.525 3.313 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560690 500254984 /nfs/dbraw/zinc/25/49/84/500254984.db2.gz XHCLYRHDRJEKHV-HNNXBMFYSA-N 1 3 356.308 3.083 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000418459021 500279643 /nfs/dbraw/zinc/27/96/43/500279643.db2.gz ILDQJJIQVMQPCR-INIZCTEOSA-N 1 3 370.497 3.105 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000418485316 500282008 /nfs/dbraw/zinc/28/20/08/500282008.db2.gz GXMPDEXKZXIABU-IFXJQAMLSA-N 1 3 374.916 3.462 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640954 500285242 /nfs/dbraw/zinc/28/52/42/500285242.db2.gz WPTCEWPSBLNAHS-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1CN ZINC000422640954 500285244 /nfs/dbraw/zinc/28/52/44/500285244.db2.gz WPTCEWPSBLNAHS-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1CN ZINC000422640954 500285246 /nfs/dbraw/zinc/28/52/46/500285246.db2.gz WPTCEWPSBLNAHS-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO [NH3+][C@H]1CCC[C@H]1NCCSCCOc1cccc(Br)c1 ZINC000422710494 500287601 /nfs/dbraw/zinc/28/76/01/500287601.db2.gz LIROPMXJOHQYPP-LSDHHAIUSA-N 1 3 359.333 3.031 20 0 FGADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752932 500294069 /nfs/dbraw/zinc/29/40/69/500294069.db2.gz BMSKUPDMCLBTBE-LLBVYWAGSA-N 1 3 363.505 3.283 20 0 FGADHO Fc1ccc(OCCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780809 500296421 /nfs/dbraw/zinc/29/64/21/500296421.db2.gz KQMREXHXZKUWBH-CTNGQTDRSA-N 1 3 356.441 3.440 20 0 FGADHO Fc1ccc(OCCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780811 500296611 /nfs/dbraw/zinc/29/66/11/500296611.db2.gz KQMREXHXZKUWBH-PZJWPPBQSA-N 1 3 356.441 3.440 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422797248 500298768 /nfs/dbraw/zinc/29/87/68/500298768.db2.gz LRMNXLHUQGUPOQ-UVFQYZLESA-N 1 3 364.892 3.178 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2c(OC)ccc3ccccc32)CC[NH2+]CC1 ZINC000422800295 500299926 /nfs/dbraw/zinc/29/99/26/500299926.db2.gz BCKBPUVBMRHUCS-INIZCTEOSA-N 1 3 370.493 3.259 20 0 FGADHO CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418667224 500304579 /nfs/dbraw/zinc/30/45/79/500304579.db2.gz MLVJJNNDNBHOBE-ZJOUEHCJSA-N 1 3 372.557 3.058 20 0 FGADHO CC[C@H](C(=O)N1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000422849990 500305517 /nfs/dbraw/zinc/30/55/17/500305517.db2.gz VLQBSOPJRBJUCJ-JKWVGCSGSA-N 1 3 355.526 3.044 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430925721 500307821 /nfs/dbraw/zinc/30/78/21/500307821.db2.gz MDCQKUMCARQUSF-SJORKVTESA-N 1 3 353.510 3.337 20 0 FGADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418687763 500308219 /nfs/dbraw/zinc/30/82/19/500308219.db2.gz AIJTWMKAXBHSJC-OAQYLSRUSA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878600 500309629 /nfs/dbraw/zinc/30/96/29/500309629.db2.gz JIMRNPWBTBFSKS-RHSMWYFYSA-N 1 3 371.447 3.476 20 0 FGADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903404 500313829 /nfs/dbraw/zinc/31/38/29/500313829.db2.gz OMRMMGSABLHUPM-RLLPEYFOSA-N 1 3 371.569 3.308 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422938476 500319798 /nfs/dbraw/zinc/31/97/98/500319798.db2.gz PPLPKUJSWVPSJC-RTWAWAEBSA-N 1 3 367.493 3.024 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004414 500321030 /nfs/dbraw/zinc/32/10/30/500321030.db2.gz QZUYTNAIVUSWOM-SFTDATJTSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947427 500321585 /nfs/dbraw/zinc/32/15/85/500321585.db2.gz PZUVNBVDPJFRNI-UDMCKFQASA-N 1 3 371.569 3.306 20 0 FGADHO COc1ccc([C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985484 500327205 /nfs/dbraw/zinc/32/72/05/500327205.db2.gz FAQYCUQZTIEJOE-NEWSRXKRSA-N 1 3 363.546 3.207 20 0 FGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423009325 500330447 /nfs/dbraw/zinc/33/04/47/500330447.db2.gz CPWOFYGWTAXPJA-RCCFBDPRSA-N 1 3 352.906 3.028 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035659 500333807 /nfs/dbraw/zinc/33/38/07/500333807.db2.gz SFYZKYHIRRCAGS-BEFAXECRSA-N 1 3 368.456 3.356 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423045057 500334383 /nfs/dbraw/zinc/33/43/83/500334383.db2.gz BHILSLLOLIJPSQ-ARFHVFGLSA-N 1 3 357.420 3.076 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423073793 500338563 /nfs/dbraw/zinc/33/85/63/500338563.db2.gz JWAFDKKQVHIDRP-QMZRJTEUSA-N 1 3 370.512 3.448 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088069 500340496 /nfs/dbraw/zinc/34/04/96/500340496.db2.gz PJJWESIHSBROFK-LXZKKBNFSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088069 500340499 /nfs/dbraw/zinc/34/04/99/500340499.db2.gz PJJWESIHSBROFK-LXZKKBNFSA-N 1 3 352.320 3.135 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000423093117 500341254 /nfs/dbraw/zinc/34/12/54/500341254.db2.gz FUZZLIKQSNCNOC-XJKSGUPXSA-N 1 3 372.294 3.344 20 0 FGADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136768 500347275 /nfs/dbraw/zinc/34/72/75/500347275.db2.gz ZHOOESGEJQZFIN-ODAXIHTASA-N 1 3 373.585 3.235 20 0 FGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423151441 500348455 /nfs/dbraw/zinc/34/84/55/500348455.db2.gz DFABDDIFTGEGAI-JQHSSLGASA-N 1 3 369.347 3.158 20 0 FGADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1Br ZINC000423169807 500350516 /nfs/dbraw/zinc/35/05/16/500350516.db2.gz ZZDVSYWVGOEPMZ-LZLYRXPVSA-N 1 3 369.347 3.016 20 0 FGADHO C[NH2+]C[C@H](C)CN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255445 500358752 /nfs/dbraw/zinc/35/87/52/500358752.db2.gz ABCJUBSPGAVDJS-GUYCJALGSA-N 1 3 355.320 3.362 20 0 FGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264077 500359921 /nfs/dbraw/zinc/35/99/21/500359921.db2.gz XZXZRIHROPGVBP-CHWSQXEVSA-N 1 3 358.267 3.332 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290051 500361793 /nfs/dbraw/zinc/36/17/93/500361793.db2.gz CCRFCIFLGUPOBG-PGRDOPGGSA-N 1 3 353.510 3.178 20 0 FGADHO CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301039 500362215 /nfs/dbraw/zinc/36/22/15/500362215.db2.gz FEKPSDJUTNSKOS-UXHICEINSA-N 1 3 351.494 3.103 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423311225 500363315 /nfs/dbraw/zinc/36/33/15/500363315.db2.gz SZIZUJBUPFMYQA-JZXOWHBKSA-N 1 3 351.560 3.257 20 0 FGADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371058 500368501 /nfs/dbraw/zinc/36/85/01/500368501.db2.gz AGFVZXIGHUNLIO-CMPLNLGQSA-N 1 3 355.857 3.278 20 0 FGADHO CC(C)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391011 500369730 /nfs/dbraw/zinc/36/97/30/500369730.db2.gz OYOSDJUXEDOZHS-CVEARBPZSA-N 1 3 365.390 3.088 20 0 FGADHO CCSc1ccccc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399438 500370168 /nfs/dbraw/zinc/37/01/68/500370168.db2.gz WDUNNXBMFNSAFM-CJNGLKHVSA-N 1 3 361.477 3.285 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427275567 500376630 /nfs/dbraw/zinc/37/66/30/500376630.db2.gz PQCAYPKHOXGZIW-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)n1cc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000423564191 500384782 /nfs/dbraw/zinc/38/47/82/500384782.db2.gz LFMNGBHZACNNAR-SFHVURJKSA-N 1 3 355.530 3.108 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000431618063 500399173 /nfs/dbraw/zinc/39/91/73/500399173.db2.gz PBYVSWMEHLDITD-HXUWFJFHSA-N 1 3 364.578 3.014 20 0 FGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000579520999 506193562 /nfs/dbraw/zinc/19/35/62/506193562.db2.gz NJKIAABJCALKFL-ZLGUVYLKSA-N 1 3 369.509 3.312 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406662 /nfs/dbraw/zinc/40/66/62/500406662.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406664 /nfs/dbraw/zinc/40/66/64/500406664.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 1 3 372.557 3.165 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2ccccc2Cl)cc1 ZINC000420310612 500439244 /nfs/dbraw/zinc/43/92/44/500439244.db2.gz MMYRZOCLMINPLZ-JXFKEZNVSA-N 1 3 359.901 3.037 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431903067 500441499 /nfs/dbraw/zinc/44/14/99/500441499.db2.gz MNKCMZOBCXPAST-VXKWHMMOSA-N 1 3 365.521 3.460 20 0 FGADHO [NH3+]C[C@H]1CN(CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330964 500443068 /nfs/dbraw/zinc/44/30/68/500443068.db2.gz QIXFZOBOTTWBKE-ZDUSSCGKSA-N 1 3 359.297 3.060 20 0 FGADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333209 500443512 /nfs/dbraw/zinc/44/35/12/500443512.db2.gz SMLMEKPFDHFJTB-UHOSZYNNSA-N 1 3 361.505 3.057 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)c2ccccc12 ZINC000431927995 500444064 /nfs/dbraw/zinc/44/40/64/500444064.db2.gz UATHGNNTPMFGFC-KRWDZBQOSA-N 1 3 371.500 3.467 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)c2ccccc12 ZINC000431927995 500444066 /nfs/dbraw/zinc/44/40/66/500444066.db2.gz UATHGNNTPMFGFC-KRWDZBQOSA-N 1 3 371.500 3.467 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408232 500456871 /nfs/dbraw/zinc/45/68/71/500456871.db2.gz VWUJFIRJYDZWIE-CXAGYDPISA-N 1 3 353.869 3.272 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065479 500464495 /nfs/dbraw/zinc/46/44/95/500464495.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065479 500464496 /nfs/dbraw/zinc/46/44/96/500464496.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244209 500486547 /nfs/dbraw/zinc/48/65/47/500486547.db2.gz XWZMXPFEQAJYSW-SSGKUCQKSA-N 1 3 372.553 3.054 20 0 FGADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000424336349 500488350 /nfs/dbraw/zinc/48/83/50/500488350.db2.gz QCKLJUKZJQATQM-KCZVDYSFSA-N 1 3 369.484 3.233 20 0 FGADHO COc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1OC(C)C ZINC000573460415 506199029 /nfs/dbraw/zinc/19/90/29/506199029.db2.gz FHJKLOJOYQLNSR-QUCCMNQESA-N 1 3 362.514 3.201 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000420764966 500496380 /nfs/dbraw/zinc/49/63/80/500496380.db2.gz DOIQNRSYPOWSHI-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784489 500500503 /nfs/dbraw/zinc/50/05/03/500500503.db2.gz GZFZOSFUQQQRKQ-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420797164 500503434 /nfs/dbraw/zinc/50/34/34/500503434.db2.gz GQVDZBGHSZIZES-MAKTXDPSSA-N 1 3 372.557 3.212 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000424432046 500504277 /nfs/dbraw/zinc/50/42/77/500504277.db2.gz HDLLPKNLBQQKKL-IBGZPJMESA-N 1 3 352.482 3.240 20 0 FGADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000424441279 500505870 /nfs/dbraw/zinc/50/58/70/500505870.db2.gz WPKIWRDKSRVRMH-GOSISDBHSA-N 1 3 358.530 3.430 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428457947 500512736 /nfs/dbraw/zinc/51/27/36/500512736.db2.gz IAJUZXYAETXXGG-PCCBWWKXSA-N 1 3 371.569 3.429 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200720 /nfs/dbraw/zinc/20/07/20/506200720.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200722 /nfs/dbraw/zinc/20/07/22/506200722.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 1 3 364.489 3.412 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420895996 500525042 /nfs/dbraw/zinc/52/50/42/500525042.db2.gz IIIADHSTWDSFCG-UHFFFAOYSA-N 1 3 360.546 3.153 20 0 FGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000432797965 500565253 /nfs/dbraw/zinc/56/52/53/500565253.db2.gz GXPLGZMUOUCQAI-WIYYLYMNSA-N 1 3 357.542 3.244 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000432796652 500565328 /nfs/dbraw/zinc/56/53/28/500565328.db2.gz BFQFGXUYCPHMNJ-NRFANRHFSA-N 1 3 358.574 3.135 20 0 FGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759105 500621008 /nfs/dbraw/zinc/62/10/08/500621008.db2.gz KGBLOTJWSGHTKQ-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000447560300 500624904 /nfs/dbraw/zinc/62/49/04/500624904.db2.gz WHZPWOACUYQLSX-AWEZNQCLSA-N 1 3 359.905 3.446 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433565947 500713789 /nfs/dbraw/zinc/71/37/89/500713789.db2.gz XROOXIJXWXFGNP-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215800 500733904 /nfs/dbraw/zinc/73/39/04/500733904.db2.gz ZTRHTDICBWLALF-PZJWPPBQSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215800 500733907 /nfs/dbraw/zinc/73/39/07/500733907.db2.gz ZTRHTDICBWLALF-PZJWPPBQSA-N 1 3 374.573 3.265 20 0 FGADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644681 500748942 /nfs/dbraw/zinc/74/89/42/500748942.db2.gz AASLIKBWPPXGOQ-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438347332 500774222 /nfs/dbraw/zinc/77/42/22/500774222.db2.gz SPGOMSIXFHKEMK-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438347332 500774225 /nfs/dbraw/zinc/77/42/25/500774225.db2.gz SPGOMSIXFHKEMK-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348437 500774356 /nfs/dbraw/zinc/77/43/56/500774356.db2.gz XKLCFBPEXLTDNB-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348437 500774358 /nfs/dbraw/zinc/77/43/58/500774358.db2.gz XKLCFBPEXLTDNB-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@@H]4CCC[C@@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146046 500863824 /nfs/dbraw/zinc/86/38/24/500863824.db2.gz LADUXSVXIHBRPZ-OXQOHEQNSA-N 1 3 359.562 3.320 20 0 FGADHO CC1(C)CCCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444628837 500869823 /nfs/dbraw/zinc/86/98/23/500869823.db2.gz FBAAZYDGRHPIHI-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO C[C@H](Cc1ccoc1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449086244 500921453 /nfs/dbraw/zinc/92/14/53/500921453.db2.gz BKUDEVAQGOFXRE-HXUWFJFHSA-N 1 3 355.526 3.398 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2ccccc2)CC1 ZINC000449167635 500939077 /nfs/dbraw/zinc/93/90/77/500939077.db2.gz AVSIFXDSOLVJBJ-DENIHFKCSA-N 1 3 352.522 3.448 20 0 FGADHO C[C@H](CNC1CC[NH+](C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184857 500943063 /nfs/dbraw/zinc/94/30/63/500943063.db2.gz NJDHSCCPOSBETG-MRXNPFEDSA-N 1 3 364.555 3.190 20 0 FGADHO C[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449184857 500943066 /nfs/dbraw/zinc/94/30/66/500943066.db2.gz NJDHSCCPOSBETG-MRXNPFEDSA-N 1 3 364.555 3.190 20 0 FGADHO CCO[C@@H]1C[C@@](CO)(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267437 500961610 /nfs/dbraw/zinc/96/16/10/500961610.db2.gz ZJWXLXMSOUITJF-AAIMPIBUSA-N 1 3 374.569 3.238 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4C[C@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375409 500962520 /nfs/dbraw/zinc/96/25/20/500962520.db2.gz UXIRBTGNXWXYOW-MJGOQNOKSA-N 1 3 364.493 3.391 20 0 FGADHO C[NH2+]CC1CCN(Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435395359 500967282 /nfs/dbraw/zinc/96/72/82/500967282.db2.gz PJVHTZWMNQSPDZ-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000445972477 501056674 /nfs/dbraw/zinc/05/66/74/501056674.db2.gz WMFOHYOAOJUQHA-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000445972484 501057089 /nfs/dbraw/zinc/05/70/89/501057089.db2.gz WMUYJSZSBPVCHV-HXUWFJFHSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141232 /nfs/dbraw/zinc/14/12/32/501141232.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 1 3 369.553 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141234 /nfs/dbraw/zinc/14/12/34/501141234.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 1 3 369.553 3.294 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000446619622 501142813 /nfs/dbraw/zinc/14/28/13/501142813.db2.gz HTZJZRNWCIXOIK-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@H]4CCC[C@@H](C)C4)CC3)C2)n(C)n1 ZINC000446840291 501171926 /nfs/dbraw/zinc/17/19/26/501171926.db2.gz YJXIHSANLARZRK-QMMLZNLJSA-N 1 3 373.589 3.330 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446888715 501177548 /nfs/dbraw/zinc/17/75/48/501177548.db2.gz MGKHCMWZNNOQCW-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066100 501199696 /nfs/dbraw/zinc/19/96/96/501199696.db2.gz JLWBWWVREFGAIW-MISYRCLQSA-N 1 3 359.562 3.022 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000450878765 501222854 /nfs/dbraw/zinc/22/28/54/501222854.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000450878765 501222857 /nfs/dbraw/zinc/22/28/57/501222857.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878765 501222859 /nfs/dbraw/zinc/22/28/59/501222859.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878765 501222861 /nfs/dbraw/zinc/22/28/61/501222861.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 1 3 364.603 3.468 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000450319465 501233246 /nfs/dbraw/zinc/23/32/46/501233246.db2.gz LVRQLZDHLBBKTI-INIZCTEOSA-N 1 3 357.498 3.303 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000450319465 501233248 /nfs/dbraw/zinc/23/32/48/501233248.db2.gz LVRQLZDHLBBKTI-INIZCTEOSA-N 1 3 357.498 3.303 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453252985 501299999 /nfs/dbraw/zinc/29/99/99/501299999.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 1 3 350.510 3.300 20 0 FGADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000453252985 501300000 /nfs/dbraw/zinc/30/00/00/501300000.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 1 3 350.510 3.300 20 0 FGADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000458128211 501376997 /nfs/dbraw/zinc/37/69/97/501376997.db2.gz NCUDELDLAFAZER-FQEVSTJZSA-N 1 3 364.578 3.203 20 0 FGADHO Cc1cc(NC(=O)c2ccccc2OCCN(C)C)ccc1C[NH+](C)C ZINC000458277461 501410181 /nfs/dbraw/zinc/41/01/81/501410181.db2.gz IRCDYHCXKDMIIC-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458373646 501429968 /nfs/dbraw/zinc/42/99/68/501429968.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 1 3 364.578 3.014 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458373646 501429969 /nfs/dbraw/zinc/42/99/69/501429969.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 1 3 364.578 3.014 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(CC)CC)cc1 ZINC000458792082 501532976 /nfs/dbraw/zinc/53/29/76/501532976.db2.gz LCNZSEIZVNQPCF-PZJWPPBQSA-N 1 3 374.573 3.225 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454447346 501547012 /nfs/dbraw/zinc/54/70/12/501547012.db2.gz FRPJWCCVAXQNKK-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000455115700 501690588 /nfs/dbraw/zinc/69/05/88/501690588.db2.gz MPQYPGQSTNKQGR-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000455115701 501690662 /nfs/dbraw/zinc/69/06/62/501690662.db2.gz MPQYPGQSTNKQGR-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459734291 501706178 /nfs/dbraw/zinc/70/61/78/501706178.db2.gz OKSKPWIPSIPZNN-SFHVURJKSA-N 1 3 369.509 3.491 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459734291 501706179 /nfs/dbraw/zinc/70/61/79/501706179.db2.gz OKSKPWIPSIPZNN-SFHVURJKSA-N 1 3 369.509 3.491 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727294 /nfs/dbraw/zinc/72/72/94/501727294.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727298 /nfs/dbraw/zinc/72/72/98/501727298.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286522 501733768 /nfs/dbraw/zinc/73/37/68/501733768.db2.gz CDZUECOVKGIJBS-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286522 501733772 /nfs/dbraw/zinc/73/37/72/501733772.db2.gz CDZUECOVKGIJBS-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470748693 501791081 /nfs/dbraw/zinc/79/10/81/501791081.db2.gz YRSMOYWBEZKLBD-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470899348 501846112 /nfs/dbraw/zinc/84/61/12/501846112.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470899348 501846113 /nfs/dbraw/zinc/84/61/13/501846113.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO COc1ccc(OCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891754 /nfs/dbraw/zinc/89/17/54/501891754.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 1 3 352.478 3.138 20 0 FGADHO COc1ccc(OCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891757 /nfs/dbraw/zinc/89/17/57/501891757.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 1 3 352.478 3.138 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995837 501939485 /nfs/dbraw/zinc/93/94/85/501939485.db2.gz XOOBCOOFZMMNDA-FGZHOGPDSA-N 1 3 351.494 3.279 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995837 501939491 /nfs/dbraw/zinc/93/94/91/501939491.db2.gz XOOBCOOFZMMNDA-FGZHOGPDSA-N 1 3 351.494 3.279 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)c2)CC1 ZINC000474832348 501965898 /nfs/dbraw/zinc/96/58/98/501965898.db2.gz PTMXIMDATRBXGG-NRFANRHFSA-N 1 3 372.557 3.278 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000478412572 501973873 /nfs/dbraw/zinc/97/38/73/501973873.db2.gz DHSNPPKJQDKBGP-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000482119748 501980868 /nfs/dbraw/zinc/98/08/68/501980868.db2.gz MPCNVUUUGRTXCO-MRXNPFEDSA-N 1 3 360.452 3.223 20 0 FGADHO CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475028558 502027756 /nfs/dbraw/zinc/02/77/56/502027756.db2.gz LLVBOYLJEJGDKX-NRFANRHFSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540808 502105068 /nfs/dbraw/zinc/10/50/68/502105068.db2.gz YVWSGFRFPLVFNL-MRXNPFEDSA-N 1 3 373.463 3.306 20 0 FGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000482634271 502134014 /nfs/dbraw/zinc/13/40/14/502134014.db2.gz SFQCDRUXFLOTDB-HLIPFELVSA-N 1 3 357.542 3.298 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881100 502136336 /nfs/dbraw/zinc/13/63/36/502136336.db2.gz QTZRLDIFUTURTN-LEWJYISDSA-N 1 3 357.542 3.163 20 0 FGADHO N[C@@H](CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000471791592 502138180 /nfs/dbraw/zinc/13/81/80/502138180.db2.gz WMKNAWCQAGTMSM-FKBYEOEOSA-N 1 3 365.521 3.275 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000461643570 502160877 /nfs/dbraw/zinc/16/08/77/502160877.db2.gz RNNLTAMCXORISJ-IBGZPJMESA-N 1 3 374.573 3.067 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000461643570 502160881 /nfs/dbraw/zinc/16/08/81/502160881.db2.gz RNNLTAMCXORISJ-IBGZPJMESA-N 1 3 374.573 3.067 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c(C)c2)CC1 ZINC000475401494 502161435 /nfs/dbraw/zinc/16/14/35/502161435.db2.gz WQYNXWIGDGFIHY-KRWDZBQOSA-N 1 3 360.546 3.242 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182912 502185067 /nfs/dbraw/zinc/18/50/67/502185067.db2.gz DAJUAXVAPOMCNK-ROUUACIJSA-N 1 3 363.502 3.129 20 0 FGADHO NC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479195184 502189153 /nfs/dbraw/zinc/18/91/53/502189153.db2.gz ZWAYHMMBCBOAJX-HXUWFJFHSA-N 1 3 355.457 3.145 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580830 502197718 /nfs/dbraw/zinc/19/77/18/502197718.db2.gz PXCUOXZWFWTIFH-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580830 502197723 /nfs/dbraw/zinc/19/77/23/502197723.db2.gz PXCUOXZWFWTIFH-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO CCCOc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894713 502209757 /nfs/dbraw/zinc/20/97/57/502209757.db2.gz WWOXQISWHVPIJJ-QGZVFWFLSA-N 1 3 361.530 3.069 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000472089872 502227529 /nfs/dbraw/zinc/22/75/29/502227529.db2.gz XFZQUFPMCJCLKH-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000472117547 502238716 /nfs/dbraw/zinc/23/87/16/502238716.db2.gz JWUOJAAEOCUXLQ-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)OCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163677 502254340 /nfs/dbraw/zinc/25/43/40/502254340.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 1 3 360.542 3.151 20 0 FGADHO CC(C)OCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163677 502254344 /nfs/dbraw/zinc/25/43/44/502254344.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 1 3 360.542 3.151 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000479436773 502259748 /nfs/dbraw/zinc/25/97/48/502259748.db2.gz KUGHCOFKFYCLGJ-BVGQSLNGSA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436773 502259754 /nfs/dbraw/zinc/25/97/54/502259754.db2.gz KUGHCOFKFYCLGJ-BVGQSLNGSA-N 1 3 367.331 3.119 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278870 /nfs/dbraw/zinc/27/88/70/502278870.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 1 3 373.585 3.378 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472233001 502279805 /nfs/dbraw/zinc/27/98/05/502279805.db2.gz WCXORWOSEUPGCQ-XMSQKQJNSA-N 1 3 369.553 3.245 20 0 FGADHO Cn1nnc2cc(CN3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370013 502332218 /nfs/dbraw/zinc/33/22/18/502332218.db2.gz OXGNYOXJNWNDNB-TZIWHRDSSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H](CN)Cc3ccccc3)ccc21 ZINC000472370013 502332224 /nfs/dbraw/zinc/33/22/24/502332224.db2.gz OXGNYOXJNWNDNB-TZIWHRDSSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CCCC[C@@H]3[C@@H](CN)Cc3ccccc3)ccc21 ZINC000472370013 502332229 /nfs/dbraw/zinc/33/22/29/502332229.db2.gz OXGNYOXJNWNDNB-TZIWHRDSSA-N 1 3 363.509 3.140 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653693 502338193 /nfs/dbraw/zinc/33/81/93/502338193.db2.gz FWJRXIHISBQRRT-ICSRJNTNSA-N 1 3 360.546 3.114 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653693 502338199 /nfs/dbraw/zinc/33/81/99/502338199.db2.gz FWJRXIHISBQRRT-ICSRJNTNSA-N 1 3 360.546 3.114 20 0 FGADHO CC(C)c1ccc(CC[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000469220298 502340936 /nfs/dbraw/zinc/34/09/36/502340936.db2.gz XDZSATYDCKDDDM-UHFFFAOYSA-N 1 3 367.537 3.434 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000479709877 502352851 /nfs/dbraw/zinc/35/28/51/502352851.db2.gz PRFLOMNUFHACRZ-IBGZPJMESA-N 1 3 352.567 3.158 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000479709877 502352857 /nfs/dbraw/zinc/35/28/57/502352857.db2.gz PRFLOMNUFHACRZ-IBGZPJMESA-N 1 3 352.567 3.158 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000472467256 502361359 /nfs/dbraw/zinc/36/13/59/502361359.db2.gz YDCFWTOJQUJJLK-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766858 502377654 /nfs/dbraw/zinc/37/76/54/502377654.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766858 502377657 /nfs/dbraw/zinc/37/76/57/502377657.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 1 3 370.541 3.136 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433406 502391537 /nfs/dbraw/zinc/39/15/37/502391537.db2.gz MSEZSIREMDLNAF-LESCRADOSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433406 502391542 /nfs/dbraw/zinc/39/15/42/502391542.db2.gz MSEZSIREMDLNAF-LESCRADOSA-N 1 3 366.347 3.348 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000483630168 502447660 /nfs/dbraw/zinc/44/76/60/502447660.db2.gz XBWYQKITRCMJLC-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000466121231 502482639 /nfs/dbraw/zinc/48/26/39/502482639.db2.gz UYFCCFIAKNUSMB-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cccc2c1ncc(C)c2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000462687143 502533851 /nfs/dbraw/zinc/53/38/51/502533851.db2.gz BJHWHRBZEDYJTO-FQEVSTJZSA-N 1 3 361.489 3.452 20 0 FGADHO Cc1cccc2c1ncc(C)c2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000462687143 502533855 /nfs/dbraw/zinc/53/38/55/502533855.db2.gz BJHWHRBZEDYJTO-FQEVSTJZSA-N 1 3 361.489 3.452 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000466345189 502542756 /nfs/dbraw/zinc/54/27/56/502542756.db2.gz DRCJVDDEZCBWHV-BVYCBKJFSA-N 1 3 372.553 3.328 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462714396 502545173 /nfs/dbraw/zinc/54/51/73/502545173.db2.gz FUMIIVZXIJKYNJ-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000462714396 502545177 /nfs/dbraw/zinc/54/51/77/502545177.db2.gz FUMIIVZXIJKYNJ-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)N(C)C)cc1 ZINC000476631422 502545324 /nfs/dbraw/zinc/54/53/24/502545324.db2.gz RLCPNFNSJPVJNH-VQTJNVASSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)N(C)C)cc1 ZINC000476631422 502545330 /nfs/dbraw/zinc/54/53/30/502545330.db2.gz RLCPNFNSJPVJNH-VQTJNVASSA-N 1 3 360.546 3.025 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740454 502554944 /nfs/dbraw/zinc/55/49/44/502554944.db2.gz BEVZWIKMWATZDC-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740454 502554946 /nfs/dbraw/zinc/55/49/46/502554946.db2.gz BEVZWIKMWATZDC-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462860401 502602374 /nfs/dbraw/zinc/60/23/74/502602374.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 1 3 365.521 3.186 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462860401 502602379 /nfs/dbraw/zinc/60/23/79/502602379.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 1 3 365.521 3.186 20 0 FGADHO CC(C)[C@H](CN[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654472 502633816 /nfs/dbraw/zinc/63/38/16/502633816.db2.gz SUDDGDKSFCAAGB-BVSLBCMMSA-N 1 3 359.558 3.158 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](CC(C)C)C2)CC1 ZINC000466723843 502655626 /nfs/dbraw/zinc/65/56/26/502655626.db2.gz ZFJZJIDPIVSCAP-FQEVSTJZSA-N 1 3 371.569 3.444 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041819 502656841 /nfs/dbraw/zinc/65/68/41/502656841.db2.gz GMQWWVFXDSAVKO-GOSISDBHSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041819 502656846 /nfs/dbraw/zinc/65/68/46/502656846.db2.gz GMQWWVFXDSAVKO-GOSISDBHSA-N 1 3 351.922 3.137 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000484719711 502719709 /nfs/dbraw/zinc/71/97/09/502719709.db2.gz OVRKZYOSAZUZNH-YXYSEUPNSA-N 1 3 370.541 3.090 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000488502413 502734282 /nfs/dbraw/zinc/73/42/82/502734282.db2.gz HWSMWTDUVXMJIT-SJBKTWHCSA-N 1 3 372.557 3.213 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000481033778 502735545 /nfs/dbraw/zinc/73/55/45/502735545.db2.gz HVDXLFVPOVCXEY-CGXNFDGLSA-N 1 3 367.622 3.470 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739767 /nfs/dbraw/zinc/73/97/67/502739767.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739771 /nfs/dbraw/zinc/73/97/71/502739771.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2cccc(Br)c21 ZINC000481056076 502741771 /nfs/dbraw/zinc/74/17/71/502741771.db2.gz VHJDUYOWWHXDMM-IOASZLSFSA-N 1 3 353.304 3.044 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000470352618 502746328 /nfs/dbraw/zinc/74/63/28/502746328.db2.gz GOXMRBRFMOCVMZ-VGSWGCGISA-N 1 3 363.505 3.415 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000470352618 502746337 /nfs/dbraw/zinc/74/63/37/502746337.db2.gz GOXMRBRFMOCVMZ-VGSWGCGISA-N 1 3 363.505 3.415 20 0 FGADHO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@@H]1C ZINC000463336140 502763234 /nfs/dbraw/zinc/76/32/34/502763234.db2.gz QAJYBNSRVAWARA-IXDOHACOSA-N 1 3 356.514 3.403 20 0 FGADHO O=C(C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000481207514 502783117 /nfs/dbraw/zinc/78/31/17/502783117.db2.gz XBKLAZBRLSQSBN-UGKGYDQZSA-N 1 3 369.553 3.121 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380945 502831559 /nfs/dbraw/zinc/83/15/59/502831559.db2.gz SXECTPIVBIJYMS-IEBWSBKVSA-N 1 3 363.546 3.486 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000501062265 502925794 /nfs/dbraw/zinc/92/57/94/502925794.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000501062265 502925796 /nfs/dbraw/zinc/92/57/96/502925796.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(CC(C)C)CC1)c1ccsc1 ZINC000501111356 502941516 /nfs/dbraw/zinc/94/15/16/502941516.db2.gz VUDBWLOQTWFDCD-SFHVURJKSA-N 1 3 366.575 3.114 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000513667333 502995543 /nfs/dbraw/zinc/99/55/43/502995543.db2.gz QNILEKZDSYCMRV-BHYGNILZSA-N 1 3 350.890 3.464 20 0 FGADHO C[N@H+](CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501593057 503045357 /nfs/dbraw/zinc/04/53/57/503045357.db2.gz JVGGKWBSMFLJIV-FQEVSTJZSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501593057 503045361 /nfs/dbraw/zinc/04/53/61/503045361.db2.gz JVGGKWBSMFLJIV-FQEVSTJZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000501734500 503069774 /nfs/dbraw/zinc/06/97/74/503069774.db2.gz OLPYDSVTLYFRES-PMACEKPBSA-N 1 3 374.573 3.176 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028090 503072047 /nfs/dbraw/zinc/07/20/47/503072047.db2.gz ZOMSCIGTMKNWOR-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)N(C)C ZINC000501955586 503116084 /nfs/dbraw/zinc/11/60/84/503116084.db2.gz JIBLPFODSNIMQQ-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167192 503121138 /nfs/dbraw/zinc/12/11/38/503121138.db2.gz GWVCZDAJVUUSNC-NQIIRXRSSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000498270601 503147519 /nfs/dbraw/zinc/14/75/19/503147519.db2.gz AQSOZFNSULSHOR-IOMROCGXSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000498270601 503147524 /nfs/dbraw/zinc/14/75/24/503147524.db2.gz AQSOZFNSULSHOR-IOMROCGXSA-N 1 3 372.557 3.242 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C ZINC000498403643 503179662 /nfs/dbraw/zinc/17/96/62/503179662.db2.gz WFCOHJSGRBPFAP-BAZKLHIFSA-N 1 3 372.557 3.301 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000498403643 503179666 /nfs/dbraw/zinc/17/96/66/503179666.db2.gz WFCOHJSGRBPFAP-BAZKLHIFSA-N 1 3 372.557 3.301 20 0 FGADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832769 503233357 /nfs/dbraw/zinc/23/33/57/503233357.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832769 503233359 /nfs/dbraw/zinc/23/33/59/503233359.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000502874918 503295630 /nfs/dbraw/zinc/29/56/30/503295630.db2.gz BGZIRKZGESIJBI-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000502874918 503295632 /nfs/dbraw/zinc/29/56/32/503295632.db2.gz BGZIRKZGESIJBI-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441084 503409934 /nfs/dbraw/zinc/40/99/34/503409934.db2.gz GNKADKCINNDFBH-WOJBJXKFSA-N 1 3 364.578 3.016 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1Cl ZINC000499496985 503418811 /nfs/dbraw/zinc/41/88/11/503418811.db2.gz GTKBKGQLLKLNJO-SFHVURJKSA-N 1 3 365.949 3.147 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1Cl ZINC000499496985 503418815 /nfs/dbraw/zinc/41/88/15/503418815.db2.gz GTKBKGQLLKLNJO-SFHVURJKSA-N 1 3 365.949 3.147 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000503485128 503419003 /nfs/dbraw/zinc/41/90/03/503419003.db2.gz GCMMYFFZEIIIKJ-NSHGMRRFSA-N 1 3 373.541 3.078 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000503485128 503419006 /nfs/dbraw/zinc/41/90/06/503419006.db2.gz GCMMYFFZEIIIKJ-NSHGMRRFSA-N 1 3 373.541 3.078 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505128 503420226 /nfs/dbraw/zinc/42/02/26/503420226.db2.gz BOKPZXCGGCVBKF-HXUWFJFHSA-N 1 3 359.558 3.472 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505128 503420230 /nfs/dbraw/zinc/42/02/30/503420230.db2.gz BOKPZXCGGCVBKF-HXUWFJFHSA-N 1 3 359.558 3.472 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511984 503422159 /nfs/dbraw/zinc/42/21/59/503422159.db2.gz CUJWOMNDISUPIC-JOCHJYFZSA-N 1 3 367.537 3.257 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511984 503422162 /nfs/dbraw/zinc/42/21/62/503422162.db2.gz CUJWOMNDISUPIC-JOCHJYFZSA-N 1 3 367.537 3.257 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000508207397 503453432 /nfs/dbraw/zinc/45/34/32/503453432.db2.gz WZHHLPCTKBMXTN-UHFFFAOYSA-N 1 3 359.558 3.479 20 0 FGADHO COCC[N@H+](C)CC[C@@H](N[C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917843 503457631 /nfs/dbraw/zinc/45/76/31/503457631.db2.gz VHWITVMWAJJHDD-MXEMCNAFSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@@H](N[C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917843 503457635 /nfs/dbraw/zinc/45/76/35/503457635.db2.gz VHWITVMWAJJHDD-MXEMCNAFSA-N 1 3 358.526 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165053 503460058 /nfs/dbraw/zinc/46/00/58/503460058.db2.gz SZFWDQPLZDDHOY-NQIIRXRSSA-N 1 3 372.557 3.434 20 0 FGADHO CCc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000512131704 503465003 /nfs/dbraw/zinc/46/50/03/503465003.db2.gz RXRBDWGGQNMRSL-UHFFFAOYSA-N 1 3 366.553 3.332 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N(C)CCN2CCCC2)CCCC1)c1ccccc1 ZINC000503733804 503466271 /nfs/dbraw/zinc/46/62/71/503466271.db2.gz FEORWVVKIVQVKE-IBGZPJMESA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058826 503480384 /nfs/dbraw/zinc/48/03/84/503480384.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058826 503480388 /nfs/dbraw/zinc/48/03/88/503480388.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 1 3 355.526 3.173 20 0 FGADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)ccc21 ZINC000516431491 503511909 /nfs/dbraw/zinc/51/19/09/503511909.db2.gz USDRQJHPNZJGIO-UHFFFAOYSA-N 1 3 366.440 3.027 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000516559054 503536626 /nfs/dbraw/zinc/53/66/26/503536626.db2.gz RLCPMDLDMXRPQX-LMNJBCLMSA-N 1 3 360.546 3.099 20 0 FGADHO CCC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000512401856 503538297 /nfs/dbraw/zinc/53/82/97/503538297.db2.gz RPOUDHAFZCHGHN-UHFFFAOYSA-N 1 3 373.585 3.381 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000500113461 503557167 /nfs/dbraw/zinc/55/71/67/503557167.db2.gz VCFVUVWWBDYDBC-WYNBGMTASA-N 1 3 372.557 3.069 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC000508871248 503584192 /nfs/dbraw/zinc/58/41/92/503584192.db2.gz PFGCMYUDDDKKCS-RXVVDRJESA-N 1 3 372.557 3.256 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654364 503584313 /nfs/dbraw/zinc/58/43/13/503584313.db2.gz NLDXEWQHELDGDP-VQTJNVASSA-N 1 3 357.542 3.108 20 0 FGADHO COCc1ccccc1/C=C(/C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000508875630 503585144 /nfs/dbraw/zinc/58/51/44/503585144.db2.gz BMJVTKWLJNSNJO-DHHGSCCYSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000508875630 503585146 /nfs/dbraw/zinc/58/51/46/503585146.db2.gz BMJVTKWLJNSNJO-DHHGSCCYSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000508875630 503585149 /nfs/dbraw/zinc/58/51/49/503585149.db2.gz BMJVTKWLJNSNJO-DHHGSCCYSA-N 1 3 371.569 3.194 20 0 FGADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494670525 503588867 /nfs/dbraw/zinc/58/88/67/503588867.db2.gz ZFGAUPYLXONORC-KRWDZBQOSA-N 1 3 371.447 3.128 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512578289 503589097 /nfs/dbraw/zinc/58/90/97/503589097.db2.gz POJKTSWPOBQMFQ-HUUJSLGLSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512578289 503589098 /nfs/dbraw/zinc/58/90/98/503589098.db2.gz POJKTSWPOBQMFQ-HUUJSLGLSA-N 1 3 357.542 3.276 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)N(C)C ZINC000508903525 503595271 /nfs/dbraw/zinc/59/52/71/503595271.db2.gz YDGZWBFEGBKEGF-MMKMLUHNSA-N 1 3 372.557 3.254 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517064004 503652451 /nfs/dbraw/zinc/65/24/51/503652451.db2.gz RZGLYEMDWXSXGM-GGPKGHCWSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517064004 503652458 /nfs/dbraw/zinc/65/24/58/503652458.db2.gz RZGLYEMDWXSXGM-GGPKGHCWSA-N 1 3 360.546 3.242 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(C)c3C)CC2)CC1 ZINC000517173553 503662996 /nfs/dbraw/zinc/66/29/96/503662996.db2.gz XHPKXCJBHIWLMS-UHFFFAOYSA-N 1 3 371.569 3.458 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118868 503673982 /nfs/dbraw/zinc/67/39/82/503673982.db2.gz JCBBIVCBZMNFFM-CABCVRRESA-N 1 3 371.978 3.380 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118868 503673989 /nfs/dbraw/zinc/67/39/89/503673989.db2.gz JCBBIVCBZMNFFM-CABCVRRESA-N 1 3 371.978 3.380 20 0 FGADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000546224878 503677096 /nfs/dbraw/zinc/67/70/96/503677096.db2.gz SFMUGXLFCSEVLO-CTNGQTDRSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@H]1C[C@H](NCc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255811 503694490 /nfs/dbraw/zinc/69/44/90/503694490.db2.gz XQRITVHZCBNRHW-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@H](NCc2ccnc(-n3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000517255811 503694495 /nfs/dbraw/zinc/69/44/95/503694495.db2.gz XQRITVHZCBNRHW-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000540175439 503697302 /nfs/dbraw/zinc/69/73/02/503697302.db2.gz IKCNHYWQMLTHSM-FCHUYYIVSA-N 1 3 365.521 3.404 20 0 FGADHO CC(C)CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000533244019 503774669 /nfs/dbraw/zinc/77/46/69/503774669.db2.gz YUZSXDLIXNJQQK-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025170 503798947 /nfs/dbraw/zinc/79/89/47/503798947.db2.gz PFGGYTKEBOIKGP-NRFANRHFSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H](C)C1 ZINC000533361034 503817509 /nfs/dbraw/zinc/81/75/09/503817509.db2.gz SVSCVLLPPCTHOU-WGMWDUQUSA-N 1 3 357.542 3.427 20 0 FGADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000540593490 503826441 /nfs/dbraw/zinc/82/64/41/503826441.db2.gz HHXLZMFUEHVHBA-RBUKOAKNSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2s1 ZINC000517782679 503835851 /nfs/dbraw/zinc/83/58/51/503835851.db2.gz XCIBLKOWNWQYQF-AWEZNQCLSA-N 1 3 357.523 3.295 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543644258 503838285 /nfs/dbraw/zinc/83/82/85/503838285.db2.gz HOYIWHHTUFPMBW-CEXWTWQISA-N 1 3 366.594 3.116 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543644258 503838291 /nfs/dbraw/zinc/83/82/91/503838291.db2.gz HOYIWHHTUFPMBW-CEXWTWQISA-N 1 3 366.594 3.116 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000543674757 503848591 /nfs/dbraw/zinc/84/85/91/503848591.db2.gz KUJWKCBKWUXSLG-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527648051 503875122 /nfs/dbraw/zinc/87/51/22/503875122.db2.gz DDMPZBGNCHVMNR-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO FC(F)(F)COc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242754 503890505 /nfs/dbraw/zinc/89/05/05/503890505.db2.gz UYAKWJWBUXMAIJ-KRWDZBQOSA-N 1 3 372.431 3.218 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864544 503921267 /nfs/dbraw/zinc/92/12/67/503921267.db2.gz HWFOREUMGMKYIV-IEBWSBKVSA-N 1 3 367.896 3.213 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000543992838 503964638 /nfs/dbraw/zinc/96/46/38/503964638.db2.gz QVYMLJMHIJRIPM-UHFFFAOYSA-N 1 3 369.484 3.153 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286225 504073501 /nfs/dbraw/zinc/07/35/01/504073501.db2.gz IPJIXKLKHJSABN-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544303736 504079847 /nfs/dbraw/zinc/07/98/47/504079847.db2.gz SCKOXEDPRNAKGZ-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO CC[N@H+](CCC1CCN(CC(=O)N2CCC(C)CC2)CC1)CC(C)C ZINC000537995582 504106270 /nfs/dbraw/zinc/10/62/70/504106270.db2.gz LSBQQNLKNQUVPV-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCC(C)CC2)CC1)CC(C)C ZINC000537995582 504106276 /nfs/dbraw/zinc/10/62/76/504106276.db2.gz LSBQQNLKNQUVPV-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@@H](C)C1 ZINC000544381940 504110387 /nfs/dbraw/zinc/11/03/87/504110387.db2.gz LFCOIDFMGXIUSX-LQWHRVPQSA-N 1 3 357.542 3.427 20 0 FGADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098191 504133267 /nfs/dbraw/zinc/13/32/67/504133267.db2.gz CODQWDGUCRWJJF-FUHWJXTLSA-N 1 3 351.922 3.214 20 0 FGADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098191 504133271 /nfs/dbraw/zinc/13/32/71/504133271.db2.gz CODQWDGUCRWJJF-FUHWJXTLSA-N 1 3 351.922 3.214 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633602 504162783 /nfs/dbraw/zinc/16/27/83/504162783.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633602 504162789 /nfs/dbraw/zinc/16/27/89/504162789.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000519224237 504168844 /nfs/dbraw/zinc/16/88/44/504168844.db2.gz YHDSCGNEQYGLSM-GOSISDBHSA-N 1 3 357.542 3.014 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640876 504202067 /nfs/dbraw/zinc/20/20/67/504202067.db2.gz LYFSGLWLHRVOEW-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640876 504202070 /nfs/dbraw/zinc/20/20/70/504202070.db2.gz LYFSGLWLHRVOEW-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000519388433 504209009 /nfs/dbraw/zinc/20/90/09/504209009.db2.gz MWJTUCONKBNLMC-HDICACEKSA-N 1 3 352.567 3.013 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707402 504228026 /nfs/dbraw/zinc/22/80/26/504228026.db2.gz PLOAXYXUAWKZSG-SJBKTWHCSA-N 1 3 360.542 3.461 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707402 504228027 /nfs/dbraw/zinc/22/80/27/504228027.db2.gz PLOAXYXUAWKZSG-SJBKTWHCSA-N 1 3 360.542 3.461 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000541826332 504266339 /nfs/dbraw/zinc/26/63/39/504266339.db2.gz PMEDCQJPCDLJSA-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922995 504303705 /nfs/dbraw/zinc/30/37/05/504303705.db2.gz WOPMHLSBLXGFPR-AEFFLSMTSA-N 1 3 355.482 3.192 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922995 504303709 /nfs/dbraw/zinc/30/37/09/504303709.db2.gz WOPMHLSBLXGFPR-AEFFLSMTSA-N 1 3 355.482 3.192 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000528652068 504314231 /nfs/dbraw/zinc/31/42/31/504314231.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 1 3 371.569 3.476 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000528652068 504314235 /nfs/dbraw/zinc/31/42/35/504314235.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 1 3 371.569 3.476 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528712049 504343656 /nfs/dbraw/zinc/34/36/56/504343656.db2.gz BGFAAWONTSRNNF-MRXNPFEDSA-N 1 3 374.529 3.191 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528712049 504343659 /nfs/dbraw/zinc/34/36/59/504343659.db2.gz BGFAAWONTSRNNF-MRXNPFEDSA-N 1 3 374.529 3.191 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)C1CCN(C)CC1 ZINC000538792582 504372958 /nfs/dbraw/zinc/37/29/58/504372958.db2.gz ZPKOXRAMXWCHNQ-KNQAVFIVSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21)C1CCN(C)CC1 ZINC000538792582 504372963 /nfs/dbraw/zinc/37/29/63/504372963.db2.gz ZPKOXRAMXWCHNQ-KNQAVFIVSA-N 1 3 357.542 3.218 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531683357 504392041 /nfs/dbraw/zinc/39/20/41/504392041.db2.gz IEXJHPZHVHBVPH-ZIAGYGMSSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000531683357 504392043 /nfs/dbraw/zinc/39/20/43/504392043.db2.gz IEXJHPZHVHBVPH-ZIAGYGMSSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000531684881 504392137 /nfs/dbraw/zinc/39/21/37/504392137.db2.gz CBNCZSPFUUHJNF-INIZCTEOSA-N 1 3 373.463 3.306 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(Br)c1 ZINC000531686966 504393993 /nfs/dbraw/zinc/39/39/93/504393993.db2.gz VCSUEOYKPAEVBH-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO COCCCN1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000520217821 504438385 /nfs/dbraw/zinc/43/83/85/504438385.db2.gz HLDKMMYGDRXIAX-UHFFFAOYSA-N 1 3 369.509 3.251 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528912777 504447259 /nfs/dbraw/zinc/44/72/59/504447259.db2.gz IFEWECMRKIKKGH-IBGZPJMESA-N 1 3 374.529 3.156 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528912777 504447265 /nfs/dbraw/zinc/44/72/65/504447265.db2.gz IFEWECMRKIKKGH-IBGZPJMESA-N 1 3 374.529 3.156 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528912777 504447268 /nfs/dbraw/zinc/44/72/68/504447268.db2.gz IFEWECMRKIKKGH-IBGZPJMESA-N 1 3 374.529 3.156 20 0 FGADHO COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548483524 504460970 /nfs/dbraw/zinc/46/09/70/504460970.db2.gz CDDVQYRHYLNWGH-PZJWPPBQSA-N 1 3 373.585 3.376 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937453 504480856 /nfs/dbraw/zinc/48/08/56/504480856.db2.gz ASLGLAXJORVKID-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937453 504480861 /nfs/dbraw/zinc/48/08/61/504480861.db2.gz ASLGLAXJORVKID-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937453 504480866 /nfs/dbraw/zinc/48/08/66/504480866.db2.gz ASLGLAXJORVKID-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CC(C)N1CCC([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000531971590 504490881 /nfs/dbraw/zinc/49/08/81/504490881.db2.gz FVUPYLIQCRZNRU-UHFFFAOYSA-N 1 3 351.579 3.263 20 0 FGADHO CC(C)[NH+]1CCC(NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000531971590 504490886 /nfs/dbraw/zinc/49/08/86/504490886.db2.gz FVUPYLIQCRZNRU-UHFFFAOYSA-N 1 3 351.579 3.263 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710979 504583935 /nfs/dbraw/zinc/58/39/35/504583935.db2.gz RUQGHUHNWAAKJY-UEXGIBASSA-N 1 3 372.557 3.194 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000532292017 504600929 /nfs/dbraw/zinc/60/09/29/504600929.db2.gz ORZJGUABAMSZJN-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000532292017 504600931 /nfs/dbraw/zinc/60/09/31/504600931.db2.gz ORZJGUABAMSZJN-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(C)CC1 ZINC000520877162 504601167 /nfs/dbraw/zinc/60/11/67/504601167.db2.gz MIKSCXNDYNWOSZ-LJQANCHMSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H](NC[C@@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609773 504624530 /nfs/dbraw/zinc/62/45/30/504624530.db2.gz MNHUUSPDQUABLX-VQIMIIECSA-N 1 3 356.466 3.118 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000529360030 504645410 /nfs/dbraw/zinc/64/54/10/504645410.db2.gz SCERPFHBTPVLMJ-DFQSSKMNSA-N 1 3 370.541 3.138 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473542 504662141 /nfs/dbraw/zinc/66/21/41/504662141.db2.gz GJMRYARALMXNHV-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473542 504662145 /nfs/dbraw/zinc/66/21/45/504662145.db2.gz GJMRYARALMXNHV-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473542 504662148 /nfs/dbraw/zinc/66/21/48/504662148.db2.gz GJMRYARALMXNHV-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000539852508 504717965 /nfs/dbraw/zinc/71/79/65/504717965.db2.gz TVPVKAYHTHSVPZ-CTNGQTDRSA-N 1 3 357.542 3.077 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000539852508 504717970 /nfs/dbraw/zinc/71/79/70/504717970.db2.gz TVPVKAYHTHSVPZ-CTNGQTDRSA-N 1 3 357.542 3.077 20 0 FGADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000521587615 504760559 /nfs/dbraw/zinc/76/05/59/504760559.db2.gz JDWDPFKXLDLLLT-AQNXPRMDSA-N 1 3 371.569 3.381 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000565037414 504777702 /nfs/dbraw/zinc/77/77/02/504777702.db2.gz RMZXPQKPGYPKAH-JBACZVJFSA-N 1 3 370.541 3.067 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000559151794 504792280 /nfs/dbraw/zinc/79/22/80/504792280.db2.gz QIDRLXAEJSXGDC-OVNVTHAWSA-N 1 3 370.512 3.475 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000559151794 504792286 /nfs/dbraw/zinc/79/22/86/504792286.db2.gz QIDRLXAEJSXGDC-OVNVTHAWSA-N 1 3 370.512 3.475 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2sc(Br)cc21 ZINC000556103440 504796955 /nfs/dbraw/zinc/79/69/55/504796955.db2.gz CEQNGSAQHMVKJD-DGCLKSJQSA-N 1 3 361.349 3.444 20 0 FGADHO CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000549348762 504797538 /nfs/dbraw/zinc/79/75/38/504797538.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 1 3 352.526 3.432 20 0 FGADHO CCn1nccc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000549348762 504797541 /nfs/dbraw/zinc/79/75/41/504797541.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 1 3 352.526 3.432 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000556202820 504819700 /nfs/dbraw/zinc/81/97/00/504819700.db2.gz DAHPAWSHHLOINU-OYNPSCLESA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000556202820 504819702 /nfs/dbraw/zinc/81/97/02/504819702.db2.gz DAHPAWSHHLOINU-OYNPSCLESA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000556202820 504819703 /nfs/dbraw/zinc/81/97/03/504819703.db2.gz DAHPAWSHHLOINU-OYNPSCLESA-N 1 3 357.542 3.039 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccccc2CN(C)C)CC1 ZINC000562436611 504820822 /nfs/dbraw/zinc/82/08/22/504820822.db2.gz LUKIKQVZRLZJEC-UHFFFAOYSA-N 1 3 352.482 3.307 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472594 504831807 /nfs/dbraw/zinc/83/18/07/504831807.db2.gz SRALUNYUWBLFHD-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472594 504831810 /nfs/dbraw/zinc/83/18/10/504831810.db2.gz SRALUNYUWBLFHD-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000565299491 504848142 /nfs/dbraw/zinc/84/81/42/504848142.db2.gz IMQKSJVWRGOUTD-FQEVSTJZSA-N 1 3 356.510 3.432 20 0 FGADHO CC[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303933 504849461 /nfs/dbraw/zinc/84/94/61/504849461.db2.gz XITLVVAPOFBFGE-SCTDSRPQSA-N 1 3 363.933 3.229 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331306 504855607 /nfs/dbraw/zinc/85/56/07/504855607.db2.gz GOGGNUZMJZENOC-NRFANRHFSA-N 1 3 369.557 3.029 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331306 504855612 /nfs/dbraw/zinc/85/56/12/504855612.db2.gz GOGGNUZMJZENOC-NRFANRHFSA-N 1 3 369.557 3.029 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1cccs1 ZINC000565359257 504865284 /nfs/dbraw/zinc/86/52/84/504865284.db2.gz SQCZECWYIAQFCF-GOSISDBHSA-N 1 3 352.544 3.012 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000553368385 504896210 /nfs/dbraw/zinc/89/62/10/504896210.db2.gz FIIOFQAWRVSCKR-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000553368385 504896213 /nfs/dbraw/zinc/89/62/13/504896213.db2.gz FIIOFQAWRVSCKR-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391828 504901898 /nfs/dbraw/zinc/90/18/98/504901898.db2.gz JQFDODVUKMNDCA-VXKWHMMOSA-N 1 3 365.521 3.236 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391828 504901902 /nfs/dbraw/zinc/90/19/02/504901902.db2.gz JQFDODVUKMNDCA-VXKWHMMOSA-N 1 3 365.521 3.236 20 0 FGADHO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc4nc(C)[nH]c4c3)CC2)CC1 ZINC000565550013 504919815 /nfs/dbraw/zinc/91/98/15/504919815.db2.gz PMRUBJCSLXFVBC-UHFFFAOYSA-N 1 3 369.513 3.006 20 0 FGADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525480 504940482 /nfs/dbraw/zinc/94/04/82/504940482.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525480 504940487 /nfs/dbraw/zinc/94/04/87/504940487.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 1 3 369.553 3.231 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654875 504950150 /nfs/dbraw/zinc/95/01/50/504950150.db2.gz NRAQBNHLTVMXGZ-NWSQWKLXSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654875 504950152 /nfs/dbraw/zinc/95/01/52/504950152.db2.gz NRAQBNHLTVMXGZ-NWSQWKLXSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654875 504950155 /nfs/dbraw/zinc/95/01/55/504950155.db2.gz NRAQBNHLTVMXGZ-NWSQWKLXSA-N 1 3 374.569 3.399 20 0 FGADHO COc1cc([C@@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000559920354 504951281 /nfs/dbraw/zinc/95/12/81/504951281.db2.gz VXEABLLOARJCNP-MRXNPFEDSA-N 1 3 355.482 3.414 20 0 FGADHO CC(CCN1CC[C@H](OC(F)F)C1)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000556819920 504984395 /nfs/dbraw/zinc/98/43/95/504984395.db2.gz GHZXNDHUNQKJDR-KBPBESRZSA-N 1 3 356.404 3.030 20 0 FGADHO CC(CCN1CC[C@H](OC(F)F)C1)CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000556819920 504984398 /nfs/dbraw/zinc/98/43/98/504984398.db2.gz GHZXNDHUNQKJDR-KBPBESRZSA-N 1 3 356.404 3.030 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000565865607 505009702 /nfs/dbraw/zinc/00/97/02/505009702.db2.gz CVSHWSLNFHKOQR-SJORKVTESA-N 1 3 366.575 3.305 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000565865607 505009705 /nfs/dbraw/zinc/00/97/05/505009705.db2.gz CVSHWSLNFHKOQR-SJORKVTESA-N 1 3 366.575 3.305 20 0 FGADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000565945157 505035487 /nfs/dbraw/zinc/03/54/87/505035487.db2.gz XTNLLXQEJQNTND-BBWFWOEESA-N 1 3 360.889 3.443 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000563082603 505041566 /nfs/dbraw/zinc/04/15/66/505041566.db2.gz HBHNEYMCBZMHCA-CZUORRHYSA-N 1 3 353.894 3.127 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000557045516 505052562 /nfs/dbraw/zinc/05/25/62/505052562.db2.gz FSAJBALVEMFYOB-OAHLLOKOSA-N 1 3 365.481 3.032 20 0 FGADHO C[C@@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000566062411 505069038 /nfs/dbraw/zinc/06/90/38/505069038.db2.gz FUUIJLVCENXJLX-GHMZBOCLSA-N 1 3 350.816 3.143 20 0 FGADHO CN(C)C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506144 505107298 /nfs/dbraw/zinc/10/72/98/505107298.db2.gz IZDGMQZENDXBTM-PKOBYXMFSA-N 1 3 365.949 3.366 20 0 FGADHO CN(C)C[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506144 505107302 /nfs/dbraw/zinc/10/73/02/505107302.db2.gz IZDGMQZENDXBTM-PKOBYXMFSA-N 1 3 365.949 3.366 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886558 505120441 /nfs/dbraw/zinc/12/04/41/505120441.db2.gz HMCFIZLOOWAUDF-ROUUACIJSA-N 1 3 355.530 3.423 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886558 505120444 /nfs/dbraw/zinc/12/04/44/505120444.db2.gz HMCFIZLOOWAUDF-ROUUACIJSA-N 1 3 355.530 3.423 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000563387073 505129338 /nfs/dbraw/zinc/12/93/38/505129338.db2.gz XHUXVYKDWZANTF-UHFFFAOYSA-N 1 3 369.431 3.239 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000560619472 505146223 /nfs/dbraw/zinc/14/62/23/505146223.db2.gz VGBFEEZYCFZPGN-QHCPKHFHSA-N 1 3 373.585 3.449 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000560619472 505146226 /nfs/dbraw/zinc/14/62/26/505146226.db2.gz VGBFEEZYCFZPGN-QHCPKHFHSA-N 1 3 373.585 3.449 20 0 FGADHO O=C(C[C@H]1CCC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000566470915 505184181 /nfs/dbraw/zinc/18/41/81/505184181.db2.gz MOTDIPRWFCSFOO-GOSISDBHSA-N 1 3 363.933 3.154 20 0 FGADHO CCOC(=O)C1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCC1 ZINC000563779983 505235730 /nfs/dbraw/zinc/23/57/30/505235730.db2.gz GUPXUVGDWGFOQR-SFHVURJKSA-N 1 3 358.526 3.405 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000554735582 505252038 /nfs/dbraw/zinc/25/20/38/505252038.db2.gz UHMZTQNZILJYNC-OAQYLSRUSA-N 1 3 354.542 3.471 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505267011 /nfs/dbraw/zinc/26/70/11/505267011.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 1 3 357.542 3.123 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505267014 /nfs/dbraw/zinc/26/70/14/505267014.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267449 /nfs/dbraw/zinc/26/74/49/505267449.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267451 /nfs/dbraw/zinc/26/74/51/505267451.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261238 505346861 /nfs/dbraw/zinc/34/68/61/505346861.db2.gz ZXKDLZBJKFIGDY-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261238 505346863 /nfs/dbraw/zinc/34/68/63/505346863.db2.gz ZXKDLZBJKFIGDY-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000552044158 505380398 /nfs/dbraw/zinc/38/03/98/505380398.db2.gz SLDLZTPXPDEWTB-LTIDMASMSA-N 1 3 365.468 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000552044158 505380401 /nfs/dbraw/zinc/38/04/01/505380401.db2.gz SLDLZTPXPDEWTB-LTIDMASMSA-N 1 3 365.468 3.329 20 0 FGADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552047643 505380880 /nfs/dbraw/zinc/38/08/80/505380880.db2.gz TWXVVTVUEWKMHB-OUJGAGHGSA-N 1 3 362.583 3.379 20 0 FGADHO COc1cccc(O[C@H](C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159388 505381198 /nfs/dbraw/zinc/38/11/98/505381198.db2.gz UHTSFDWEIWBWJQ-CNDZOEFASA-N 1 3 368.477 3.308 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233732 505385991 /nfs/dbraw/zinc/38/59/91/505385991.db2.gz FJWLWMPBTRPNLH-UIFIKXQLSA-N 1 3 374.525 3.259 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233732 505385995 /nfs/dbraw/zinc/38/59/95/505385995.db2.gz FJWLWMPBTRPNLH-UIFIKXQLSA-N 1 3 374.525 3.259 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637477 505396617 /nfs/dbraw/zinc/39/66/17/505396617.db2.gz FBYRPQQVOUZTOM-MAUKXSAKSA-N 1 3 368.953 3.362 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000555417649 505427868 /nfs/dbraw/zinc/42/78/68/505427868.db2.gz FXEAPPGVDHCZOO-AVRDEDQJSA-N 1 3 358.574 3.225 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000555417649 505427870 /nfs/dbraw/zinc/42/78/70/505427870.db2.gz FXEAPPGVDHCZOO-AVRDEDQJSA-N 1 3 358.574 3.225 20 0 FGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccncc2OCCN(C)C)CC1 ZINC000561782958 505436878 /nfs/dbraw/zinc/43/68/78/505436878.db2.gz SGEKILNNTXZSER-GHTZIAJQSA-N 1 3 374.573 3.155 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567410585 505454586 /nfs/dbraw/zinc/45/45/86/505454586.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567410585 505454590 /nfs/dbraw/zinc/45/45/90/505454590.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 1 3 374.573 3.317 20 0 FGADHO COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1OC ZINC000561950178 505476264 /nfs/dbraw/zinc/47/62/64/505476264.db2.gz QKBAJGZEONUIHR-UHFFFAOYSA-N 1 3 362.514 3.089 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976794 505483087 /nfs/dbraw/zinc/48/30/87/505483087.db2.gz SDCRHASFLUGIMT-GOSISDBHSA-N 1 3 373.520 3.064 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976794 505483089 /nfs/dbraw/zinc/48/30/89/505483089.db2.gz SDCRHASFLUGIMT-GOSISDBHSA-N 1 3 373.520 3.064 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065450 505507760 /nfs/dbraw/zinc/50/77/60/505507760.db2.gz RUOQMTKDVMHWNU-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065450 505507765 /nfs/dbraw/zinc/50/77/65/505507765.db2.gz RUOQMTKDVMHWNU-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000562065450 505507770 /nfs/dbraw/zinc/50/77/70/505507770.db2.gz RUOQMTKDVMHWNU-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065457 505508050 /nfs/dbraw/zinc/50/80/50/505508050.db2.gz RUOQMTKDVMHWNU-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065457 505508055 /nfs/dbraw/zinc/50/80/55/505508055.db2.gz RUOQMTKDVMHWNU-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065457 505508059 /nfs/dbraw/zinc/50/80/59/505508059.db2.gz RUOQMTKDVMHWNU-UARRHKHWSA-N 1 3 364.533 3.480 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647086 505523639 /nfs/dbraw/zinc/52/36/39/505523639.db2.gz SSSVVMLPLMQVRG-CTNGQTDRSA-N 1 3 350.510 3.251 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000562176379 505532789 /nfs/dbraw/zinc/53/27/89/505532789.db2.gz YXEAOWLGMRQIAT-QGZVFWFLSA-N 1 3 364.509 3.037 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000552695116 505537222 /nfs/dbraw/zinc/53/72/22/505537222.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000552695116 505537224 /nfs/dbraw/zinc/53/72/24/505537224.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 1 3 351.579 3.467 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552780152 505553145 /nfs/dbraw/zinc/55/31/45/505553145.db2.gz ZNXTYTOLHDZOGX-KZNAEPCWSA-N 1 3 373.541 3.037 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772996 505561706 /nfs/dbraw/zinc/56/17/06/505561706.db2.gz RGBWUYZUKGVVQT-UIFIKXQLSA-N 1 3 351.494 3.418 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217231 506489342 /nfs/dbraw/zinc/48/93/42/506489342.db2.gz DTADQHCYEUZDIX-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217231 506489347 /nfs/dbraw/zinc/48/93/47/506489347.db2.gz DTADQHCYEUZDIX-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583089088 506584509 /nfs/dbraw/zinc/58/45/09/506584509.db2.gz JOQSOJKNVUHJOC-UHFFFAOYSA-N 1 3 351.494 3.056 20 0 FGADHO C[C@@H]1CCN(CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000608613742 506632925 /nfs/dbraw/zinc/63/29/25/506632925.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@@H]1CCN(CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000608613742 506632929 /nfs/dbraw/zinc/63/29/29/506632929.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000583234084 506664517 /nfs/dbraw/zinc/66/45/17/506664517.db2.gz MVJFBJBWRBFIDD-TZYHBYERSA-N 1 3 368.521 3.444 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604204383 506752424 /nfs/dbraw/zinc/75/24/24/506752424.db2.gz FTQVUYCSVPAHOW-NRFANRHFSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604204383 506752429 /nfs/dbraw/zinc/75/24/29/506752429.db2.gz FTQVUYCSVPAHOW-NRFANRHFSA-N 1 3 372.557 3.339 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(CC)CC)cc1 ZINC000612981864 506849709 /nfs/dbraw/zinc/84/97/09/506849709.db2.gz GFVXKOYYQRHBIU-VQTJNVASSA-N 1 3 372.557 3.073 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688610 506919000 /nfs/dbraw/zinc/91/90/00/506919000.db2.gz RSMZZQOQRDJDNB-MCIONIFRSA-N 1 3 361.313 3.196 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782089 506940976 /nfs/dbraw/zinc/94/09/76/506940976.db2.gz FPXVZMWLHQCZNY-MISYRCLQSA-N 1 3 374.573 3.488 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000604822490 506957182 /nfs/dbraw/zinc/95/71/82/506957182.db2.gz KBHPIBMNAHMGKQ-RXVVDRJESA-N 1 3 372.557 3.384 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(C)(C)C ZINC000604824785 506958398 /nfs/dbraw/zinc/95/83/98/506958398.db2.gz WYYIHZXAKCRJHH-LJQANCHMSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000594231187 507027319 /nfs/dbraw/zinc/02/73/19/507027319.db2.gz BCFPAWPBURBHSO-IAGOWNOFSA-N 1 3 362.518 3.011 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113026 /nfs/dbraw/zinc/11/30/26/507113026.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113034 /nfs/dbraw/zinc/11/30/34/507113034.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000600862677 507149670 /nfs/dbraw/zinc/14/96/70/507149670.db2.gz CGGWLDIKNBMYDS-NHCUHLMSSA-N 1 3 374.573 3.113 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203109 507152227 /nfs/dbraw/zinc/15/22/27/507152227.db2.gz DKIFOOOIYJJRBI-FGZHOGPDSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203109 507152238 /nfs/dbraw/zinc/15/22/38/507152238.db2.gz DKIFOOOIYJJRBI-FGZHOGPDSA-N 1 3 371.569 3.178 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894580 507165181 /nfs/dbraw/zinc/16/51/81/507165181.db2.gz DLKZOSBYTNXUGK-OAQYLSRUSA-N 1 3 372.557 3.346 20 0 FGADHO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000584268350 507247193 /nfs/dbraw/zinc/24/71/93/507247193.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 1 3 359.514 3.414 20 0 FGADHO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000584268350 507247198 /nfs/dbraw/zinc/24/71/98/507247198.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 1 3 359.514 3.414 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429968 507247882 /nfs/dbraw/zinc/24/78/82/507247882.db2.gz JJZAIZRFBLGDLF-SFHVURJKSA-N 1 3 373.541 3.106 20 0 FGADHO CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000584290124 507261706 /nfs/dbraw/zinc/26/17/06/507261706.db2.gz FBIWUWLWGZUMND-GGPKGHCWSA-N 1 3 360.546 3.198 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558647 507291701 /nfs/dbraw/zinc/29/17/01/507291701.db2.gz XVPFFNSZPMWCRP-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000605988257 507319625 /nfs/dbraw/zinc/31/96/25/507319625.db2.gz JROCWPJBYMNJON-NRFANRHFSA-N 1 3 374.573 3.333 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000605988257 507319630 /nfs/dbraw/zinc/31/96/30/507319630.db2.gz JROCWPJBYMNJON-NRFANRHFSA-N 1 3 374.573 3.333 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343766 /nfs/dbraw/zinc/34/37/66/507343766.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343772 /nfs/dbraw/zinc/34/37/72/507343772.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 1 3 367.921 3.482 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595147552 507409995 /nfs/dbraw/zinc/40/99/95/507409995.db2.gz VELXQKCJBLPVMC-QGZVFWFLSA-N 1 3 373.932 3.080 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccsc2C(F)(F)F)CC[NH2+]CC1 ZINC000602019566 507557413 /nfs/dbraw/zinc/55/74/13/507557413.db2.gz GVTMKAFTPVOKOZ-NSHDSACASA-N 1 3 364.433 3.178 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870899 568396243 /nfs/dbraw/zinc/39/62/43/568396243.db2.gz OUGSNHQYRHYREB-WZYRSQIMSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824249179 609338285 /nfs/dbraw/zinc/33/82/85/609338285.db2.gz JMGWZBZFLLXDOY-OAHLLOKOSA-N 1 3 374.508 3.415 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831848 700831916 /nfs/dbraw/zinc/83/19/16/700831916.db2.gz PBFBRDXGPWSNMB-SFHVURJKSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831096 705431295 /nfs/dbraw/zinc/43/12/95/705431295.db2.gz GBXKDZWRSGZRPS-MSOLQXFVSA-N 1 3 351.535 3.194 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812592 714253961 /nfs/dbraw/zinc/25/39/61/714253961.db2.gz MFWIVYLLIIEXDK-WMZOPIPTSA-N 1 3 366.575 3.161 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812592 714253962 /nfs/dbraw/zinc/25/39/62/714253962.db2.gz MFWIVYLLIIEXDK-WMZOPIPTSA-N 1 3 366.575 3.161 20 0 FGADHO CC1CCN([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641144 715013727 /nfs/dbraw/zinc/01/37/27/715013727.db2.gz BESPDYUHRMHKBH-QZTJIDSGSA-N 1 3 363.571 3.417 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399248 715327743 /nfs/dbraw/zinc/32/77/43/715327743.db2.gz CZHQMBHTSSKPJV-HZPDHXFCSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399248 715327749 /nfs/dbraw/zinc/32/77/49/715327749.db2.gz CZHQMBHTSSKPJV-HZPDHXFCSA-N 1 3 366.347 3.490 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)C(C)(C)C3)CC2)cs1 ZINC000623414154 715331126 /nfs/dbraw/zinc/33/11/26/715331126.db2.gz VTVFQXLJGXOFAX-KRWDZBQOSA-N 1 3 364.603 3.380 20 0 FGADHO CN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000624329106 715512361 /nfs/dbraw/zinc/51/23/61/715512361.db2.gz MGJZRLZMDRNZES-GUDVDZBRSA-N 1 3 351.485 3.216 20 0 FGADHO CN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000624329106 715512365 /nfs/dbraw/zinc/51/23/65/715512365.db2.gz MGJZRLZMDRNZES-GUDVDZBRSA-N 1 3 351.485 3.216 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000638380511 717441414 /nfs/dbraw/zinc/44/14/14/717441414.db2.gz FNVXIHSUULEACQ-HKUYNNGSSA-N 1 3 351.485 3.218 20 0 FGADHO [NH3+]C[C@@H]1CCN(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2ccccc21 ZINC000639063072 717510537 /nfs/dbraw/zinc/51/05/37/717510537.db2.gz BFYWLMMWAFFCRS-GUTXKFCHSA-N 1 3 356.388 3.213 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210942 717532495 /nfs/dbraw/zinc/53/24/95/717532495.db2.gz PQEDONOQAMLYFQ-RLLQIKCJSA-N 1 3 360.567 3.399 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976246 718391301 /nfs/dbraw/zinc/39/13/01/718391301.db2.gz MBKBMYPIQZJHOE-NUJGCVRESA-N 1 3 363.933 3.056 20 0 FGADHO CN(Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648586029 718438130 /nfs/dbraw/zinc/43/81/30/718438130.db2.gz VJIURSRBXBSJBY-QGZVFWFLSA-N 1 3 362.905 3.082 20 0 FGADHO CN(Cc1cc2cc(Cl)cnc2o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648586029 718438131 /nfs/dbraw/zinc/43/81/31/718438131.db2.gz VJIURSRBXBSJBY-QGZVFWFLSA-N 1 3 362.905 3.082 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000649684171 718550174 /nfs/dbraw/zinc/55/01/74/718550174.db2.gz HQSJARFJRMIZAL-HOTGVXAUSA-N 1 3 358.404 3.477 20 0 FGADHO C[NH2+]Cc1ccccc1CNCc1cnc2c(C)cc(Br)cn12 ZINC000650719489 718719534 /nfs/dbraw/zinc/71/95/34/718719534.db2.gz RQBSJYBUVXKTFC-UHFFFAOYSA-N 1 3 373.298 3.414 20 0 FGADHO Cc1c(Br)cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000657368066 719634962 /nfs/dbraw/zinc/63/49/62/719634962.db2.gz UDZMLPCRLHZLFQ-ZIAGYGMSSA-N 1 3 370.335 3.132 20 0 FGADHO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657846723 719720286 /nfs/dbraw/zinc/72/02/86/719720286.db2.gz QAZSOHHMJQSCSW-JSGCOSHPSA-N 1 3 364.839 3.336 20 0 FGADHO FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658166589 719765023 /nfs/dbraw/zinc/76/50/23/719765023.db2.gz BOGQNOIVJIIKDL-MANSERQUSA-N 1 3 350.453 3.301 20 0 FGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000666918058 720999891 /nfs/dbraw/zinc/99/98/91/720999891.db2.gz FRNZJRKAHVJZLM-XRMLZUONSA-N 1 3 366.296 3.180 20 0 FGADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)cc1F ZINC000667069234 721022747 /nfs/dbraw/zinc/02/27/47/721022747.db2.gz UHAWGUPDXIGXBA-ZDUSSCGKSA-N 1 3 358.889 3.181 20 0 FGADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)cc1F ZINC000667069234 721022752 /nfs/dbraw/zinc/02/27/52/721022752.db2.gz UHAWGUPDXIGXBA-ZDUSSCGKSA-N 1 3 358.889 3.181 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(C)(F)F ZINC000667184107 721048447 /nfs/dbraw/zinc/04/84/47/721048447.db2.gz INZRCYQQBKGAKD-AWEZNQCLSA-N 1 3 356.461 3.192 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(C)(F)F ZINC000667184107 721048451 /nfs/dbraw/zinc/04/84/51/721048451.db2.gz INZRCYQQBKGAKD-AWEZNQCLSA-N 1 3 356.461 3.192 20 0 FGADHO Cc1cccc(N(c2cc(CN(C)C)ccn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777829 721329340 /nfs/dbraw/zinc/32/93/40/721329340.db2.gz RHKQDOHFUYIZJM-IRLDBZIGSA-N 1 3 366.509 3.111 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000675175620 721735577 /nfs/dbraw/zinc/73/55/77/721735577.db2.gz HCSMUKLGBHXCAC-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO CN(Cc1ccc(C(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457136 722385931 /nfs/dbraw/zinc/38/59/31/722385931.db2.gz FCZPPTUMCREQQM-CQSZACIVSA-N 1 3 361.477 3.367 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293979 722412938 /nfs/dbraw/zinc/41/29/38/722412938.db2.gz XDKQWEBRQQFONT-ZKXLYKBJSA-N 1 3 351.535 3.094 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc3nsnc32)CC1 ZINC000766978724 723602278 /nfs/dbraw/zinc/60/22/78/723602278.db2.gz WIACBORGOOLHOB-UHFFFAOYSA-N 1 3 362.543 3.262 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc3nsnc32)CC1 ZINC000766978724 723602280 /nfs/dbraw/zinc/60/22/80/723602280.db2.gz WIACBORGOOLHOB-UHFFFAOYSA-N 1 3 362.543 3.262 20 0 FGADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000773080367 723776216 /nfs/dbraw/zinc/77/62/16/723776216.db2.gz LGXXANFNGVQXSR-FQEVSTJZSA-N 1 3 350.547 3.349 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949004 724349656 /nfs/dbraw/zinc/34/96/56/724349656.db2.gz AKGYXAIKAKBUMM-ZWKOTPCHSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949004 724349660 /nfs/dbraw/zinc/34/96/60/724349660.db2.gz AKGYXAIKAKBUMM-ZWKOTPCHSA-N 1 3 353.551 3.440 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949004 724349663 /nfs/dbraw/zinc/34/96/63/724349663.db2.gz AKGYXAIKAKBUMM-ZWKOTPCHSA-N 1 3 353.551 3.440 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157435 725118679 /nfs/dbraw/zinc/11/86/79/725118679.db2.gz FVOGJLGYFPLEBK-FUHWJXTLSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157435 725118681 /nfs/dbraw/zinc/11/86/81/725118681.db2.gz FVOGJLGYFPLEBK-FUHWJXTLSA-N 1 3 357.885 3.079 20 0 FGADHO C[NH+](C)CC[C@@H](NC[C@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082301 727345664 /nfs/dbraw/zinc/34/56/64/727345664.db2.gz PGXMZFHBUJDQTM-JKSUJKDBSA-N 1 3 357.336 3.439 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000828049289 729439194 /nfs/dbraw/zinc/43/91/94/729439194.db2.gz QPIFBAHEGVMNIG-IAGOWNOFSA-N 1 3 366.937 3.204 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000828049289 729439195 /nfs/dbraw/zinc/43/91/95/729439195.db2.gz QPIFBAHEGVMNIG-IAGOWNOFSA-N 1 3 366.937 3.204 20 0 FGADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363853 730610989 /nfs/dbraw/zinc/61/09/89/730610989.db2.gz FPNYKXXYNOZDQT-CYBMUJFWSA-N 1 3 370.324 3.246 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(Cl)c(C)c3)CC2)CC1 ZINC000847542457 731063489 /nfs/dbraw/zinc/06/34/89/731063489.db2.gz OECZHPGZUANTTQ-UHFFFAOYSA-N 1 3 364.921 3.178 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCCC3(CCC[N@@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057322 731539539 /nfs/dbraw/zinc/53/95/39/731539539.db2.gz KZSGVPMTURJZGK-PPSGHYAZSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCCC3(CCC[N@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057322 731539541 /nfs/dbraw/zinc/53/95/41/731539541.db2.gz KZSGVPMTURJZGK-PPSGHYAZSA-N 1 3 350.547 3.299 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084555 731662048 /nfs/dbraw/zinc/66/20/48/731662048.db2.gz QWXWFSAGZUIWDP-ZWKOTPCHSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084555 731662049 /nfs/dbraw/zinc/66/20/49/731662049.db2.gz QWXWFSAGZUIWDP-ZWKOTPCHSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853084555 731662050 /nfs/dbraw/zinc/66/20/50/731662050.db2.gz QWXWFSAGZUIWDP-ZWKOTPCHSA-N 1 3 351.535 3.098 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438041 733200796 /nfs/dbraw/zinc/20/07/96/733200796.db2.gz XWNVUKHBXGBUGK-ZIAGYGMSSA-N 1 3 367.456 3.154 20 0 FGADHO Cc1ccc(OC(F)F)c([C@@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288715 735746503 /nfs/dbraw/zinc/74/65/03/735746503.db2.gz AUEXBAMWBWLUSI-HUUCEWRRSA-N 1 3 354.441 3.406 20 0 FGADHO COc1cc(OC)c([C@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC000873289616 735746554 /nfs/dbraw/zinc/74/65/54/735746554.db2.gz JURYDURWCMBMFJ-UONOGXRCSA-N 1 3 368.905 3.167 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1Br ZINC000876595908 736118970 /nfs/dbraw/zinc/11/89/70/736118970.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 1 3 369.303 3.009 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1Br ZINC000876595908 736118973 /nfs/dbraw/zinc/11/89/73/736118973.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 1 3 369.303 3.009 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000883361322 737558345 /nfs/dbraw/zinc/55/83/45/737558345.db2.gz ZQBXVYRYPBEVQE-NWANDNLSSA-N 1 3 366.374 3.045 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000883361323 737558686 /nfs/dbraw/zinc/55/86/86/737558686.db2.gz ZQBXVYRYPBEVQE-QEJZJMRPSA-N 1 3 366.374 3.045 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCc3ccccc3Br)CC2)C1 ZINC000883433115 737566139 /nfs/dbraw/zinc/56/61/39/737566139.db2.gz IOVWKIUPOIVHPP-AEFFLSMTSA-N 1 3 367.331 3.210 20 0 FGADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886710806 739288797 /nfs/dbraw/zinc/28/87/97/739288797.db2.gz GNSNJSPCZRETDQ-KRWDZBQOSA-N 1 3 351.535 3.194 20 0 FGADHO COCCCC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845021 739942867 /nfs/dbraw/zinc/94/28/67/739942867.db2.gz LBVCZEVWYNQOTO-PMACEKPBSA-N 1 3 351.579 3.074 20 0 FGADHO C[C@]1(Br)C[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346554 742400455 /nfs/dbraw/zinc/40/04/55/742400455.db2.gz INVFNZSOFHJYQW-IRXDYDNUSA-N 1 3 352.320 3.057 20 0 FGADHO CCOc1c(OC)cc(CN2CCC(C(C)(C)C[NH3+])CC2)cc1OC ZINC000904445148 743955714 /nfs/dbraw/zinc/95/57/14/743955714.db2.gz WVMLRTSYRFKWAU-UHFFFAOYSA-N 1 3 350.503 3.299 20 0 FGADHO [NH3+]C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372007 759106868 /nfs/dbraw/zinc/10/68/68/759106868.db2.gz DWICHGGKMVAQFR-HOCLYGCPSA-N 1 3 361.313 3.230 20 0 FGADHO COCCC[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925788735 759539230 /nfs/dbraw/zinc/53/92/30/759539230.db2.gz BUNVVDAMXLBDNY-UKPHBRMFSA-N 1 3 355.320 3.362 20 0 FGADHO CC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925799456 759543494 /nfs/dbraw/zinc/54/34/94/759543494.db2.gz YVVPBIAYPZDJRC-DOTOQJQBSA-N 1 3 354.441 3.487 20 0 FGADHO O=S1(=O)CC[C@@H](NCCCCCC2CC[NH2+]CC2)c2cc(F)ccc21 ZINC000925806480 759546669 /nfs/dbraw/zinc/54/66/69/759546669.db2.gz DXCZHOYFGBLUFT-GOSISDBHSA-N 1 3 368.518 3.194 20 0 FGADHO O=C1O[C@H](CN[C@@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852970 759558046 /nfs/dbraw/zinc/55/80/46/759558046.db2.gz JAVAGFMSVNDNAU-DZGCQCFKSA-N 1 3 366.914 3.152 20 0 FGADHO O=C1O[C@@H](CN[C@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856990 759560531 /nfs/dbraw/zinc/56/05/31/759560531.db2.gz YQXBLCUYXLWZHA-ABAIWWIYSA-N 1 3 369.292 3.256 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)CS(C)(=O)=O)CC1 ZINC000926954922 759858892 /nfs/dbraw/zinc/85/88/92/759858892.db2.gz HWRWXXULKVODAI-UHFFFAOYSA-N 1 3 360.608 3.326 20 0 FGADHO CN1CCC[C@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469438 /nfs/dbraw/zinc/46/94/38/760469438.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CCC[C@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469450 /nfs/dbraw/zinc/46/94/50/760469450.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 1 3 351.535 3.096 20 0 FGADHO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032973 /nfs/dbraw/zinc/03/29/73/763032973.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 1 3 363.571 3.032 20 0 FGADHO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032981 /nfs/dbraw/zinc/03/29/81/763032981.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 1 3 363.571 3.032 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000998792235 765124068 /nfs/dbraw/zinc/12/40/68/765124068.db2.gz WGYIIVQHNCBPAS-BXNZUYAZSA-N 1 3 363.933 3.149 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000998792235 765124078 /nfs/dbraw/zinc/12/40/78/765124078.db2.gz WGYIIVQHNCBPAS-BXNZUYAZSA-N 1 3 363.933 3.149 20 0 FGADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940080 766250498 /nfs/dbraw/zinc/25/04/98/766250498.db2.gz WMSVVGSPXOBZFT-BRWVUGGUSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940080 766250504 /nfs/dbraw/zinc/25/05/04/766250504.db2.gz WMSVVGSPXOBZFT-BRWVUGGUSA-N 1 3 363.933 3.069 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894291 210196216 /nfs/dbraw/zinc/19/62/16/210196216.db2.gz FWDOPMPJIZPLKO-SPHOGXRMSA-N 1 3 370.537 3.215 20 0 FGADHO Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CCN(C3CC3)C1)CO2 ZINC000102421869 257350887 /nfs/dbraw/zinc/35/08/87/257350887.db2.gz SFESDXLGVJJLJE-ZDUSSCGKSA-N 1 3 363.299 3.299 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293514848 257379853 /nfs/dbraw/zinc/37/98/53/257379853.db2.gz CKXLIGVAUSXFMC-MRXNPFEDSA-N 1 3 374.529 3.143 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962651 /nfs/dbraw/zinc/96/26/51/503962651.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 1 3 370.541 3.138 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962656 /nfs/dbraw/zinc/96/26/56/503962656.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 1 3 370.541 3.138 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161334 503694680 /nfs/dbraw/zinc/69/46/80/503694680.db2.gz SQIOAZUVPPABDG-BHDDXSALSA-N 1 3 370.537 3.356 20 0 FGADHO CCc1cnccc1[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000573624332 505581350 /nfs/dbraw/zinc/58/13/50/505581350.db2.gz PUNXWPLSTJVDIV-QGZVFWFLSA-N 1 3 372.557 3.018 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000567968166 505585312 /nfs/dbraw/zinc/58/53/12/505585312.db2.gz FAIMJCFSEINMPP-UHFFFAOYSA-N 1 3 365.521 3.220 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000567973421 505586810 /nfs/dbraw/zinc/58/68/10/505586810.db2.gz CGNUVCYZWKKTKR-IBGZPJMESA-N 1 3 352.482 3.042 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000567982802 505590139 /nfs/dbraw/zinc/59/01/39/505590139.db2.gz RRNCUDJBCDSJLO-SFHLNBCPSA-N 1 3 373.516 3.028 20 0 FGADHO CCCCNC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567995588 505592894 /nfs/dbraw/zinc/59/28/94/505592894.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 1 3 351.560 3.117 20 0 FGADHO CCCCNC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567995588 505592898 /nfs/dbraw/zinc/59/28/98/505592898.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 1 3 351.560 3.117 20 0 FGADHO CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000570870890 505599381 /nfs/dbraw/zinc/59/93/81/505599381.db2.gz PXLXDPQQLRUHDD-TZIWHRDSSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870890 505599385 /nfs/dbraw/zinc/59/93/85/505599385.db2.gz PXLXDPQQLRUHDD-TZIWHRDSSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870890 505599391 /nfs/dbraw/zinc/59/93/91/505599391.db2.gz PXLXDPQQLRUHDD-TZIWHRDSSA-N 1 3 360.542 3.318 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746176 505610004 /nfs/dbraw/zinc/61/00/04/505610004.db2.gz PSJKFYPVVHFULD-WOJBJXKFSA-N 1 3 360.567 3.258 20 0 FGADHO COc1cccc(C[C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000579735501 505610638 /nfs/dbraw/zinc/61/06/38/505610638.db2.gz BOTCFVMQEVPVPY-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO COc1cccc(C[C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000579735501 505610641 /nfs/dbraw/zinc/61/06/41/505610641.db2.gz BOTCFVMQEVPVPY-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC(CC[NH3+])CC2)c1 ZINC000571168979 505671198 /nfs/dbraw/zinc/67/11/98/505671198.db2.gz DLSYIQPQOOBWSV-UHFFFAOYSA-N 1 3 355.482 3.230 20 0 FGADHO O=C(CN1CCC[C@@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768627 493776573 /nfs/dbraw/zinc/77/65/73/493776573.db2.gz UXIOPJMGQJDCCY-SFTDATJTSA-N 1 3 355.526 3.163 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000076109697 493823868 /nfs/dbraw/zinc/82/38/68/493823868.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 1 3 352.478 3.427 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000076109697 493823869 /nfs/dbraw/zinc/82/38/69/493823869.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 1 3 352.478 3.427 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976166 493888709 /nfs/dbraw/zinc/88/87/09/493888709.db2.gz CTZRTPGEFWXUEK-QFIPXVFZSA-N 1 3 363.505 3.287 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050025590 493892376 /nfs/dbraw/zinc/89/23/76/493892376.db2.gz QEPKWNJDPSFMRW-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050025590 493892377 /nfs/dbraw/zinc/89/23/77/493892377.db2.gz QEPKWNJDPSFMRW-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000050802161 493935909 /nfs/dbraw/zinc/93/59/09/493935909.db2.gz RELRXJGYCLNSCM-UHFFFAOYSA-N 1 3 370.324 3.282 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000051158530 493952011 /nfs/dbraw/zinc/95/20/11/493952011.db2.gz HDSVXERECRISFH-HDICACEKSA-N 1 3 357.542 3.054 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069298951 493952215 /nfs/dbraw/zinc/95/22/15/493952215.db2.gz GEIRWNHWLVLMRB-ROUUACIJSA-N 1 3 360.546 3.145 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069298951 493952219 /nfs/dbraw/zinc/95/22/19/493952219.db2.gz GEIRWNHWLVLMRB-ROUUACIJSA-N 1 3 360.546 3.145 20 0 FGADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000052500213 494032878 /nfs/dbraw/zinc/03/28/78/494032878.db2.gz YXZIXJQBHBLEHQ-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000065456382 494199853 /nfs/dbraw/zinc/19/98/53/494199853.db2.gz FNIZQFPHAHRRQA-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(C)CC1 ZINC000065477680 494202578 /nfs/dbraw/zinc/20/25/78/494202578.db2.gz AAPOUNJMCQPCEK-LJQANCHMSA-N 1 3 372.557 3.202 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072868307 494271250 /nfs/dbraw/zinc/27/12/50/494271250.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 1 3 352.478 3.412 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072868307 494271255 /nfs/dbraw/zinc/27/12/55/494271255.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 1 3 352.478 3.412 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043239469 494279109 /nfs/dbraw/zinc/27/91/09/494279109.db2.gz QEAXDUZDOYZYHZ-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000066173622 494282922 /nfs/dbraw/zinc/28/29/22/494282922.db2.gz HEFHQSNKRPALHP-OAQYLSRUSA-N 1 3 372.557 3.339 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000574175539 505712256 /nfs/dbraw/zinc/71/22/56/505712256.db2.gz DFGWHONSTFDFFI-PZJWPPBQSA-N 1 3 354.498 3.103 20 0 FGADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428383 494369522 /nfs/dbraw/zinc/36/95/22/494369522.db2.gz NOUMBLVUZZGDNE-IBGZPJMESA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038626 494431648 /nfs/dbraw/zinc/43/16/48/494431648.db2.gz QCDFIOZCPKSLEF-KRWDZBQOSA-N 1 3 371.500 3.228 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000073895171 494444401 /nfs/dbraw/zinc/44/44/01/494444401.db2.gz RJRLOZCLNXLONF-FQEVSTJZSA-N 1 3 356.510 3.384 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000073895171 494444405 /nfs/dbraw/zinc/44/44/05/494444405.db2.gz RJRLOZCLNXLONF-FQEVSTJZSA-N 1 3 356.510 3.384 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005501 494454210 /nfs/dbraw/zinc/45/42/10/494454210.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005501 494454214 /nfs/dbraw/zinc/45/42/14/494454214.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524576 494478551 /nfs/dbraw/zinc/47/85/51/494478551.db2.gz LRNDTDIBKYLQBI-AQNXPRMDSA-N 1 3 374.525 3.266 20 0 FGADHO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523341 494519884 /nfs/dbraw/zinc/51/98/84/494519884.db2.gz UADFQCNNUDLLSE-LJQANCHMSA-N 1 3 359.558 3.476 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@@H](C)O1 ZINC000067452676 494544391 /nfs/dbraw/zinc/54/43/91/494544391.db2.gz LJGAIRITPPGFHJ-QZTJIDSGSA-N 1 3 354.498 3.123 20 0 FGADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121116874 494603865 /nfs/dbraw/zinc/60/38/65/494603865.db2.gz XFQGMHGSTUCUBK-AWEZNQCLSA-N 1 3 365.568 3.396 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166308 494621527 /nfs/dbraw/zinc/62/15/27/494621527.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166308 494621534 /nfs/dbraw/zinc/62/15/34/494621534.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785779 494622248 /nfs/dbraw/zinc/62/22/48/494622248.db2.gz QKZQWNJTUUNPFB-QUCCMNQESA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785779 494622255 /nfs/dbraw/zinc/62/22/55/494622255.db2.gz QKZQWNJTUUNPFB-QUCCMNQESA-N 1 3 360.546 3.053 20 0 FGADHO C[C@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000092516831 494654244 /nfs/dbraw/zinc/65/42/44/494654244.db2.gz MXUJZMWJFBLDIJ-LJQANCHMSA-N 1 3 372.557 3.411 20 0 FGADHO c1cnn(Cc2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617130 505737558 /nfs/dbraw/zinc/73/75/58/505737558.db2.gz JOJHQRSLMFISNX-GMAHTHKFSA-N 1 3 374.488 3.277 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000080665376 494761943 /nfs/dbraw/zinc/76/19/43/494761943.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000080665376 494761950 /nfs/dbraw/zinc/76/19/50/494761950.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000080717903 494776635 /nfs/dbraw/zinc/77/66/35/494776635.db2.gz VCMJDXYYZZWTLB-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000116410412 494777613 /nfs/dbraw/zinc/77/76/13/494777613.db2.gz KHVRJCMOAVZGDJ-FQEVSTJZSA-N 1 3 374.573 3.317 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092072475 494778009 /nfs/dbraw/zinc/77/80/09/494778009.db2.gz QCUQSVBPSZSKPZ-FQEVSTJZSA-N 1 3 367.541 3.321 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092072475 494778016 /nfs/dbraw/zinc/77/80/16/494778016.db2.gz QCUQSVBPSZSKPZ-FQEVSTJZSA-N 1 3 367.541 3.321 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126544970 494785129 /nfs/dbraw/zinc/78/51/29/494785129.db2.gz FSWHKDGXEMVZAD-IBGZPJMESA-N 1 3 365.949 3.479 20 0 FGADHO CN(C)CCN(C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574318903 505746365 /nfs/dbraw/zinc/74/63/65/505746365.db2.gz HFVHXDFVFFVIJZ-UHFFFAOYSA-N 1 3 364.559 3.290 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000121871209 494879381 /nfs/dbraw/zinc/87/93/81/494879381.db2.gz VRZCBKJRAVITAC-LJQANCHMSA-N 1 3 365.949 3.478 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000122216907 494941772 /nfs/dbraw/zinc/94/17/72/494941772.db2.gz HGKBWUANSGWFST-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000122216907 494941774 /nfs/dbraw/zinc/94/17/74/494941774.db2.gz HGKBWUANSGWFST-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000118780874 495034622 /nfs/dbraw/zinc/03/46/22/495034622.db2.gz YIOKPGXVDOQCLU-UHFFFAOYSA-N 1 3 357.498 3.489 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551441 505760169 /nfs/dbraw/zinc/76/01/69/505760169.db2.gz MXNGRDIKADRQCO-FUHWJXTLSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551441 505760171 /nfs/dbraw/zinc/76/01/71/505760171.db2.gz MXNGRDIKADRQCO-FUHWJXTLSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551441 505760172 /nfs/dbraw/zinc/76/01/72/505760172.db2.gz MXNGRDIKADRQCO-FUHWJXTLSA-N 1 3 358.448 3.319 20 0 FGADHO CN(C)Cc1ccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)cc1 ZINC000580444137 505760795 /nfs/dbraw/zinc/76/07/95/505760795.db2.gz SXMDJBLAMGBJQP-UHFFFAOYSA-N 1 3 351.372 3.478 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1F ZINC000134110459 495107012 /nfs/dbraw/zinc/10/70/12/495107012.db2.gz DGJBBXIQRLGRJY-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1F ZINC000134110459 495107007 /nfs/dbraw/zinc/10/70/07/495107007.db2.gz DGJBBXIQRLGRJY-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000119734338 495229943 /nfs/dbraw/zinc/22/99/43/495229943.db2.gz IFVANVKQEWDZNW-UHFFFAOYSA-N 1 3 368.525 3.235 20 0 FGADHO CN(c1ccccc1C[N@H+](C)CCC1CCOCC1)C1CCN(C)CC1 ZINC000129665595 495277937 /nfs/dbraw/zinc/27/79/37/495277937.db2.gz PXWSAVKTBWTGNN-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)CCC1CCOCC1)C1CCN(C)CC1 ZINC000129665595 495277938 /nfs/dbraw/zinc/27/79/38/495277938.db2.gz PXWSAVKTBWTGNN-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1CCCCC1 ZINC000104336839 495279069 /nfs/dbraw/zinc/27/90/69/495279069.db2.gz TYSFLUPXTMANMT-HXUWFJFHSA-N 1 3 374.529 3.026 20 0 FGADHO Cc1ccc(-c2nc(CNCCCN3CCC[N@@H+](C)CC3)cs2)cc1 ZINC000113336930 495298050 /nfs/dbraw/zinc/29/80/50/495298050.db2.gz TYHBZBBICQQIHG-UHFFFAOYSA-N 1 3 358.555 3.236 20 0 FGADHO Cc1ccc(-c2nc(CNCCCN3CCC[N@H+](C)CC3)cs2)cc1 ZINC000113336930 495298053 /nfs/dbraw/zinc/29/80/53/495298053.db2.gz TYHBZBBICQQIHG-UHFFFAOYSA-N 1 3 358.555 3.236 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000105133880 495340260 /nfs/dbraw/zinc/34/02/60/495340260.db2.gz HZXSBPINGAGTCK-HXUWFJFHSA-N 1 3 364.578 3.158 20 0 FGADHO CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531827 495399373 /nfs/dbraw/zinc/39/93/73/495399373.db2.gz NBIMJWIDBLZUCN-FQEVSTJZSA-N 1 3 357.542 3.073 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCc2ccccn2)CC1 ZINC000120782655 495456997 /nfs/dbraw/zinc/45/69/97/495456997.db2.gz WIHYMEHVPJTWKO-UHFFFAOYSA-N 1 3 352.526 3.288 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCc2ccccn2)CC1 ZINC000120782655 495457002 /nfs/dbraw/zinc/45/70/02/495457002.db2.gz WIHYMEHVPJTWKO-UHFFFAOYSA-N 1 3 352.526 3.288 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657408 505785081 /nfs/dbraw/zinc/78/50/81/505785081.db2.gz LWYXBEULONCAIL-IMJJTQAJSA-N 1 3 352.320 3.135 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125882223 495513288 /nfs/dbraw/zinc/51/32/88/495513288.db2.gz SZYKVTYWHKUQAT-SJORKVTESA-N 1 3 367.559 3.219 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125894814 495515053 /nfs/dbraw/zinc/51/50/53/495515053.db2.gz HVZCQQWSXVBPAK-KBPBESRZSA-N 1 3 372.326 3.265 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000158536212 495532609 /nfs/dbraw/zinc/53/26/09/495532609.db2.gz FNFRCLGKEPZSCN-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173561452 495589063 /nfs/dbraw/zinc/58/90/63/495589063.db2.gz DWXIFLWGKHIVEZ-XLIONFOSSA-N 1 3 360.546 3.153 20 0 FGADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000154380807 495598703 /nfs/dbraw/zinc/59/87/03/495598703.db2.gz RSWMDZVOUISXQS-FQEVSTJZSA-N 1 3 359.514 3.110 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618863 495617701 /nfs/dbraw/zinc/61/77/01/495617701.db2.gz SQZKPFNKEMHJMJ-CABCVRRESA-N 1 3 351.922 3.368 20 0 FGADHO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000185680626 495677381 /nfs/dbraw/zinc/67/73/81/495677381.db2.gz BVOAFKKAHKCWBR-IAGOWNOFSA-N 1 3 360.498 3.427 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CN1C1CC1 ZINC000154629345 495677418 /nfs/dbraw/zinc/67/74/18/495677418.db2.gz MPAHTIYHRDNKKW-YLJYHZDGSA-N 1 3 370.541 3.097 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150979880 495701279 /nfs/dbraw/zinc/70/12/79/495701279.db2.gz WMFNPLHAWJMXCW-OAHLLOKOSA-N 1 3 373.570 3.190 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108355 495739835 /nfs/dbraw/zinc/73/98/35/495739835.db2.gz PHAQXIQQUOYUNJ-ZWKOTPCHSA-N 1 3 356.514 3.382 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000577847556 505804183 /nfs/dbraw/zinc/80/41/83/505804183.db2.gz VGSDTTQIRRXXTF-FVJLSDCUSA-N 1 3 366.509 3.059 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139556 495850999 /nfs/dbraw/zinc/85/09/99/495850999.db2.gz JBKLOUHWICZRSH-VJBWXMMDSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316180 495907050 /nfs/dbraw/zinc/90/70/50/495907050.db2.gz OCIUQOPRYIFGRP-PMACEKPBSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(OCCN(C)C)cc1 ZINC000180390791 495977877 /nfs/dbraw/zinc/97/78/77/495977877.db2.gz AKMQINGVZWQFSG-JXFKEZNVSA-N 1 3 367.493 3.404 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639331 496021332 /nfs/dbraw/zinc/02/13/32/496021332.db2.gz JISWRYHXAYMNQE-PBHICJAKSA-N 1 3 353.963 3.493 20 0 FGADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000155695462 496037594 /nfs/dbraw/zinc/03/75/94/496037594.db2.gz FZDVVUYULWVRPA-WBVHZDCISA-N 1 3 355.473 3.355 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697317 496038780 /nfs/dbraw/zinc/03/87/80/496038780.db2.gz MEFGJNAADCUKAN-HOTGVXAUSA-N 1 3 351.560 3.094 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155820357 496079281 /nfs/dbraw/zinc/07/92/81/496079281.db2.gz QMWUKENRRNZVST-UHFFFAOYSA-N 1 3 365.521 3.451 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152243234 496092484 /nfs/dbraw/zinc/09/24/84/496092484.db2.gz PHPLBYHUZRWRIN-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000177521661 496096327 /nfs/dbraw/zinc/09/63/27/496096327.db2.gz YRYGEGXKHJGBOU-OYRHEFFESA-N 1 3 369.553 3.198 20 0 FGADHO CCc1noc(C2CCC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000183747070 496101851 /nfs/dbraw/zinc/10/18/51/496101851.db2.gz URYVKSFQRFXDRD-OQSMONGASA-N 1 3 364.534 3.137 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000155985128 496125077 /nfs/dbraw/zinc/12/50/77/496125077.db2.gz XEOFXNLOWHFYKB-GHTZIAJQSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000156215381 496189660 /nfs/dbraw/zinc/18/96/60/496189660.db2.gz YNDBOHCTAPHEDH-SFHVURJKSA-N 1 3 368.525 3.342 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000156287709 496206796 /nfs/dbraw/zinc/20/67/96/496206796.db2.gz RDALGCVXFLAXPH-SFHLNBCPSA-N 1 3 374.573 3.411 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178003518 496283677 /nfs/dbraw/zinc/28/36/77/496283677.db2.gz DOPFKBCDTNVYFW-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000175327903 496340425 /nfs/dbraw/zinc/34/04/25/496340425.db2.gz LTUUREQTPBJLGY-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO COC[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153092633 496350732 /nfs/dbraw/zinc/35/07/32/496350732.db2.gz JTXATVOBVVHQLE-MRXNPFEDSA-N 1 3 373.463 3.232 20 0 FGADHO C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000181348966 496362620 /nfs/dbraw/zinc/36/26/20/496362620.db2.gz XVGIDGCSTIRONA-LVCYWYKZSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000181348966 496362627 /nfs/dbraw/zinc/36/26/27/496362627.db2.gz XVGIDGCSTIRONA-LVCYWYKZSA-N 1 3 351.494 3.116 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000162569888 496375584 /nfs/dbraw/zinc/37/55/84/496375584.db2.gz BNOSNBRNORKYJA-UHFFFAOYSA-N 1 3 353.510 3.386 20 0 FGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000187347924 496403226 /nfs/dbraw/zinc/40/32/26/496403226.db2.gz OYESTTHPRYTTPR-JOCHJYFZSA-N 1 3 367.537 3.335 20 0 FGADHO CN(c1ccccc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1)C1CCN(C)CC1 ZINC000157096689 496404689 /nfs/dbraw/zinc/40/46/89/496404689.db2.gz DNCJQJFLWZULKL-UGKGYDQZSA-N 1 3 357.542 3.264 20 0 FGADHO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000162875545 496426763 /nfs/dbraw/zinc/42/67/63/496426763.db2.gz KAZLIBACXNTVAT-CGOGLYEHSA-N 1 3 366.571 3.357 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)C ZINC000175533381 496430702 /nfs/dbraw/zinc/43/07/02/496430702.db2.gz LCTVLIZPFCIHIY-UHFFFAOYSA-N 1 3 374.573 3.411 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474849 496457424 /nfs/dbraw/zinc/45/74/24/496457424.db2.gz HHBAEKFGIDIMMO-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000157339281 496457570 /nfs/dbraw/zinc/45/75/70/496457570.db2.gz HKCKOFFXAWOBKK-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000175687440 496500872 /nfs/dbraw/zinc/50/08/72/496500872.db2.gz LQYNUEKEAWQUFP-OAQYLSRUSA-N 1 3 372.557 3.304 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634113 496518749 /nfs/dbraw/zinc/51/87/49/496518749.db2.gz JTTNMAQZZZKFDI-QGZVFWFLSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634113 496518755 /nfs/dbraw/zinc/51/87/55/496518755.db2.gz JTTNMAQZZZKFDI-QGZVFWFLSA-N 1 3 364.559 3.288 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](N)c1ccccc1 ZINC000178670569 496534916 /nfs/dbraw/zinc/53/49/16/496534916.db2.gz IOIVRKYFQHQPTR-UWJYYQICSA-N 1 3 351.494 3.235 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000157747373 496543931 /nfs/dbraw/zinc/54/39/31/496543931.db2.gz GJSFUPZABPCTQA-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000157907532 496581593 /nfs/dbraw/zinc/58/15/93/496581593.db2.gz GRACMIFPASIQII-SFTDATJTSA-N 1 3 372.557 3.258 20 0 FGADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953276 505853933 /nfs/dbraw/zinc/85/39/33/505853933.db2.gz OILQMCWWBMJPIC-IEBWSBKVSA-N 1 3 365.587 3.457 20 0 FGADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953276 505853936 /nfs/dbraw/zinc/85/39/36/505853936.db2.gz OILQMCWWBMJPIC-IEBWSBKVSA-N 1 3 365.587 3.457 20 0 FGADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000175906365 496597099 /nfs/dbraw/zinc/59/70/99/496597099.db2.gz MMVMAFDLRFUKTO-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000164948033 496641458 /nfs/dbraw/zinc/64/14/58/496641458.db2.gz VKFGXQNYVZWOBT-YADHBBJMSA-N 1 3 365.521 3.420 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)c(F)c3C)CC2)CC1 ZINC000569119679 505857932 /nfs/dbraw/zinc/85/79/32/505857932.db2.gz XAPFTIWEQRKIQU-UHFFFAOYSA-N 1 3 365.468 3.408 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969248 496674430 /nfs/dbraw/zinc/67/44/30/496674430.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969248 496674434 /nfs/dbraw/zinc/67/44/34/496674434.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 1 3 357.542 3.439 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000167542469 496702142 /nfs/dbraw/zinc/70/21/42/496702142.db2.gz MHZNEGNRDOVNAB-VLQCVTHLSA-N 1 3 355.526 3.076 20 0 FGADHO CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167669393 496704985 /nfs/dbraw/zinc/70/49/85/496704985.db2.gz GHOKALGSBKXGDT-RTWAWAEBSA-N 1 3 357.542 3.407 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182352066 496730968 /nfs/dbraw/zinc/73/09/68/496730968.db2.gz DSTWPSHZINTRRL-CUWPLCDZSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182352066 496730969 /nfs/dbraw/zinc/73/09/69/496730969.db2.gz DSTWPSHZINTRRL-CUWPLCDZSA-N 1 3 372.557 3.242 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1CCN(C)CC1 ZINC000273183991 496733837 /nfs/dbraw/zinc/73/38/37/496733837.db2.gz HAAHBWVRYWFBPD-NRFANRHFSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1CCN(C)CC1 ZINC000273183991 496733841 /nfs/dbraw/zinc/73/38/41/496733841.db2.gz HAAHBWVRYWFBPD-NRFANRHFSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(O)c1 ZINC000194925833 496762568 /nfs/dbraw/zinc/76/25/68/496762568.db2.gz JNXAGLSVMZSFOK-QGZVFWFLSA-N 1 3 367.493 3.069 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864707 /nfs/dbraw/zinc/86/47/07/505864707.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864709 /nfs/dbraw/zinc/86/47/09/505864709.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073756 496770822 /nfs/dbraw/zinc/77/08/22/496770822.db2.gz OKLGWEJNJRVBAI-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073756 496770826 /nfs/dbraw/zinc/77/08/26/496770826.db2.gz OKLGWEJNJRVBAI-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073756 496770830 /nfs/dbraw/zinc/77/08/30/496770830.db2.gz OKLGWEJNJRVBAI-HZPDHXFCSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247077561 496771976 /nfs/dbraw/zinc/77/19/76/496771976.db2.gz XKGPYQXXPHNIQX-HLIPFELVSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000268774335 496781005 /nfs/dbraw/zinc/78/10/05/496781005.db2.gz RCZPPBLMGVIICR-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000268774335 496781011 /nfs/dbraw/zinc/78/10/11/496781011.db2.gz RCZPPBLMGVIICR-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140816 496791268 /nfs/dbraw/zinc/79/12/68/496791268.db2.gz SILJVOLGSNXUBW-JTHBVZDNSA-N 1 3 372.601 3.217 20 0 FGADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000268870864 496810414 /nfs/dbraw/zinc/81/04/14/496810414.db2.gz KDUOBYFUBZMJTI-MRDQGFSESA-N 1 3 374.550 3.258 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075182 496865415 /nfs/dbraw/zinc/86/54/15/496865415.db2.gz NJUIHNNAFJVYGT-DZGCQCFKSA-N 1 3 360.445 3.304 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cc3F)CC2)CC1 ZINC000195341507 496895457 /nfs/dbraw/zinc/89/54/57/496895457.db2.gz SIVMLXVFWNABJN-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035659 496945458 /nfs/dbraw/zinc/94/54/58/496945458.db2.gz LCPSMYLBQVKGAY-NHCUHLMSSA-N 1 3 370.541 3.092 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035659 496945463 /nfs/dbraw/zinc/94/54/63/496945463.db2.gz LCPSMYLBQVKGAY-NHCUHLMSSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000221566234 497019911 /nfs/dbraw/zinc/01/99/11/497019911.db2.gz NTJSLGRUSCUKRW-CEXWTWQISA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000221566234 497019915 /nfs/dbraw/zinc/01/99/15/497019915.db2.gz NTJSLGRUSCUKRW-CEXWTWQISA-N 1 3 352.567 3.061 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823535 497110127 /nfs/dbraw/zinc/11/01/27/497110127.db2.gz FNXXPVCGDHHJEG-GPJHCHHRSA-N 1 3 350.506 3.375 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823535 497110133 /nfs/dbraw/zinc/11/01/33/497110133.db2.gz FNXXPVCGDHHJEG-GPJHCHHRSA-N 1 3 350.506 3.375 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826256 497111949 /nfs/dbraw/zinc/11/19/49/497111949.db2.gz LYOYPMLDEKPKHI-QFBILLFUSA-N 1 3 372.557 3.115 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236674595 497131448 /nfs/dbraw/zinc/13/14/48/497131448.db2.gz YJAOAENXKVQARD-NRFANRHFSA-N 1 3 365.521 3.348 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000236727655 497138415 /nfs/dbraw/zinc/13/84/15/497138415.db2.gz SACBTWCOGUPWEU-VCWGRIPDSA-N 1 3 369.553 3.497 20 0 FGADHO NC[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000192551349 497147356 /nfs/dbraw/zinc/14/73/56/497147356.db2.gz URWIHYXICGVEJJ-QFIPXVFZSA-N 1 3 373.500 3.277 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265727428 497169648 /nfs/dbraw/zinc/16/96/48/497169648.db2.gz PHOTVTXZVRSPFB-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265727428 497169654 /nfs/dbraw/zinc/16/96/54/497169654.db2.gz PHOTVTXZVRSPFB-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866799 497186533 /nfs/dbraw/zinc/18/65/33/497186533.db2.gz DZQRWJGZMZKCRB-CEWLAPEOSA-N 1 3 350.510 3.161 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866799 497186536 /nfs/dbraw/zinc/18/65/36/497186536.db2.gz DZQRWJGZMZKCRB-CEWLAPEOSA-N 1 3 350.510 3.161 20 0 FGADHO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274905875 497195970 /nfs/dbraw/zinc/19/59/70/497195970.db2.gz MDWWYBIXORAJJE-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237348482 497224749 /nfs/dbraw/zinc/22/47/49/497224749.db2.gz NFDLILWUAAVMQZ-GCJKJVERSA-N 1 3 365.521 3.420 20 0 FGADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249581611 497224738 /nfs/dbraw/zinc/22/47/38/497224738.db2.gz NMFIGQMFXOCXHU-KNQAVFIVSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249581611 497224742 /nfs/dbraw/zinc/22/47/42/497224742.db2.gz NMFIGQMFXOCXHU-KNQAVFIVSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237348482 497224754 /nfs/dbraw/zinc/22/47/54/497224754.db2.gz NFDLILWUAAVMQZ-GCJKJVERSA-N 1 3 365.521 3.420 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014604 497232218 /nfs/dbraw/zinc/23/22/18/497232218.db2.gz UJSBQLHMCRVREE-WIYYLYMNSA-N 1 3 357.542 3.087 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014604 497232227 /nfs/dbraw/zinc/23/22/27/497232227.db2.gz UJSBQLHMCRVREE-WIYYLYMNSA-N 1 3 357.542 3.087 20 0 FGADHO COc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1OC(=O)C1CC1 ZINC000271036890 497250970 /nfs/dbraw/zinc/25/09/70/497250970.db2.gz JVMMIXWFPIHCMM-UHFFFAOYSA-N 1 3 360.498 3.315 20 0 FGADHO COc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1OC(=O)C1CC1 ZINC000271036890 497250975 /nfs/dbraw/zinc/25/09/75/497250975.db2.gz JVMMIXWFPIHCMM-UHFFFAOYSA-N 1 3 360.498 3.315 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](N)c1ccccc1 ZINC000237567135 497256775 /nfs/dbraw/zinc/25/67/75/497256775.db2.gz GSTOMNWKNIYANP-JXFKEZNVSA-N 1 3 371.550 3.412 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237601515 497261078 /nfs/dbraw/zinc/26/10/78/497261078.db2.gz OEWYWIWWOOZMSH-XMSQKQJNSA-N 1 3 365.521 3.412 20 0 FGADHO C[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000237613903 497263363 /nfs/dbraw/zinc/26/33/63/497263363.db2.gz TXRRGCQOGYPDRR-MRXNPFEDSA-N 1 3 363.571 3.102 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266215338 497281548 /nfs/dbraw/zinc/28/15/48/497281548.db2.gz YPWIZBQJQSQAEN-OAQYLSRUSA-N 1 3 369.553 3.233 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000251720180 497283268 /nfs/dbraw/zinc/28/32/68/497283268.db2.gz LMNWPUAMYMLKAY-SYYKKAFVSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000251720180 497283272 /nfs/dbraw/zinc/28/32/72/497283272.db2.gz LMNWPUAMYMLKAY-SYYKKAFVSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252652477 497315167 /nfs/dbraw/zinc/31/51/67/497315167.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252652477 497315169 /nfs/dbraw/zinc/31/51/69/497315169.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423354 497320735 /nfs/dbraw/zinc/32/07/35/497320735.db2.gz DRZUUWFXSGDAFR-KVJIRVJXSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423354 497320739 /nfs/dbraw/zinc/32/07/39/497320739.db2.gz DRZUUWFXSGDAFR-KVJIRVJXSA-N 1 3 368.525 3.283 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245399541 497385316 /nfs/dbraw/zinc/38/53/16/497385316.db2.gz ALSUTSUMDGYXDH-MOPGFXCFSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245399541 497385322 /nfs/dbraw/zinc/38/53/22/497385322.db2.gz ALSUTSUMDGYXDH-MOPGFXCFSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(CC)CC1 ZINC000266694603 497399871 /nfs/dbraw/zinc/39/98/71/497399871.db2.gz MRVGEHDABSWORW-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(CC)CC1 ZINC000266694603 497399874 /nfs/dbraw/zinc/39/98/74/497399874.db2.gz MRVGEHDABSWORW-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904248 /nfs/dbraw/zinc/90/42/48/505904248.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 1 3 371.569 3.474 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904251 /nfs/dbraw/zinc/90/42/51/505904251.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 1 3 371.569 3.474 20 0 FGADHO C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585065 497416054 /nfs/dbraw/zinc/41/60/54/497416054.db2.gz IFYJXGGEBCJGFN-YYWHXJBOSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585065 497416055 /nfs/dbraw/zinc/41/60/55/497416055.db2.gz IFYJXGGEBCJGFN-YYWHXJBOSA-N 1 3 357.542 3.311 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581083039 505906774 /nfs/dbraw/zinc/90/67/74/505906774.db2.gz VMYPLKAYXPBACJ-UHFFFAOYSA-N 1 3 359.539 3.056 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758317 497445982 /nfs/dbraw/zinc/44/59/82/497445982.db2.gz FQUKMYIFAUHTDG-QUCCMNQESA-N 1 3 357.542 3.064 20 0 FGADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896481 497471069 /nfs/dbraw/zinc/47/10/69/497471069.db2.gz WAUHOHJTQXLOCT-PMACEKPBSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896481 497471074 /nfs/dbraw/zinc/47/10/74/497471074.db2.gz WAUHOHJTQXLOCT-PMACEKPBSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896481 497471080 /nfs/dbraw/zinc/47/10/80/497471080.db2.gz WAUHOHJTQXLOCT-PMACEKPBSA-N 1 3 357.523 3.015 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658949 497491470 /nfs/dbraw/zinc/49/14/70/497491470.db2.gz PDFBQKLNRGBOAU-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245666732 497493755 /nfs/dbraw/zinc/49/37/55/497493755.db2.gz DWXIFLWGKHIVEZ-PXNSSMCTSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)CC[NH2+]1 ZINC000262355278 497543827 /nfs/dbraw/zinc/54/38/27/497543827.db2.gz HXOKPFPYFMTBJS-PXNSSMCTSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000272146174 497546847 /nfs/dbraw/zinc/54/68/47/497546847.db2.gz LASGBJLCWSMTSE-SFHVURJKSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245882167 497558995 /nfs/dbraw/zinc/55/89/95/497558995.db2.gz KRCSEBJTVGQTNN-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245882167 497558998 /nfs/dbraw/zinc/55/89/98/497558998.db2.gz KRCSEBJTVGQTNN-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614814 497583997 /nfs/dbraw/zinc/58/39/97/497583997.db2.gz CLWKECBCNXJQNM-WIYYLYMNSA-N 1 3 365.521 3.336 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262629470 497587309 /nfs/dbraw/zinc/58/73/09/497587309.db2.gz DLWSUVZNWYFIJR-YSFYHYPLSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300466 497589994 /nfs/dbraw/zinc/58/99/94/497589994.db2.gz PRNBJGDBXCQMQH-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300466 497589998 /nfs/dbraw/zinc/58/99/98/497589998.db2.gz PRNBJGDBXCQMQH-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN(Cc2ccccc2)C1 ZINC000581134811 505917459 /nfs/dbraw/zinc/91/74/59/505917459.db2.gz DBPFRHKBOBSABJ-JOCHJYFZSA-N 1 3 372.557 3.259 20 0 FGADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144245 497637706 /nfs/dbraw/zinc/63/77/06/497637706.db2.gz CCRDKECQMCLKQR-GGPKGHCWSA-N 1 3 374.573 3.315 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246198611 497656773 /nfs/dbraw/zinc/65/67/73/497656773.db2.gz MVIBKDMQAMWPPV-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246198611 497656780 /nfs/dbraw/zinc/65/67/80/497656780.db2.gz MVIBKDMQAMWPPV-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000272735383 497716247 /nfs/dbraw/zinc/71/62/47/497716247.db2.gz JQVDMSSUFPNJBS-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000272735383 497716252 /nfs/dbraw/zinc/71/62/52/497716252.db2.gz JQVDMSSUFPNJBS-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277169706 497763551 /nfs/dbraw/zinc/76/35/51/497763551.db2.gz RUDXNSLLZWCIRI-MRXNPFEDSA-N 1 3 369.347 3.063 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000246591745 497783493 /nfs/dbraw/zinc/78/34/93/497783493.db2.gz ZKKYRHNSNOSYTR-SPEDKVCISA-N 1 3 356.510 3.270 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890813 497818960 /nfs/dbraw/zinc/81/89/60/497818960.db2.gz DSLCRAKKAWISNO-UAGQMJEPSA-N 1 3 351.922 3.247 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890813 497818961 /nfs/dbraw/zinc/81/89/61/497818961.db2.gz DSLCRAKKAWISNO-UAGQMJEPSA-N 1 3 351.922 3.247 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000292058417 497859994 /nfs/dbraw/zinc/85/99/94/497859994.db2.gz JXAGBKOJJRCGTM-CRAIPNDOSA-N 1 3 371.447 3.075 20 0 FGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccccc1-n1ccnn1 ZINC000581245251 505942512 /nfs/dbraw/zinc/94/25/12/505942512.db2.gz IMBVVXNQINTCTM-QVVGYRBSSA-N 1 3 351.498 3.072 20 0 FGADHO COC(=O)c1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000285372315 498066752 /nfs/dbraw/zinc/06/67/52/498066752.db2.gz CCVXEQIHPWEXQF-UHFFFAOYSA-N 1 3 368.481 3.002 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000581373772 505973651 /nfs/dbraw/zinc/97/36/51/505973651.db2.gz IXDRCUIEDLYURB-JOCHJYFZSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247758 498076774 /nfs/dbraw/zinc/07/67/74/498076774.db2.gz NFXKASMPJOTDRS-IERDGZPVSA-N 1 3 351.494 3.316 20 0 FGADHO CN1CCC(CC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292612605 498080392 /nfs/dbraw/zinc/08/03/92/498080392.db2.gz XMJQKJQHRHDGJN-OAQYLSRUSA-N 1 3 357.542 3.137 20 0 FGADHO CN1CCC(CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292612605 498080400 /nfs/dbraw/zinc/08/04/00/498080400.db2.gz XMJQKJQHRHDGJN-OAQYLSRUSA-N 1 3 357.542 3.137 20 0 FGADHO [NH3+]C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000572467127 505975581 /nfs/dbraw/zinc/97/55/81/505975581.db2.gz HXRQTAYIAYPLPE-OAQYLSRUSA-N 1 3 366.509 3.109 20 0 FGADHO COc1ccc2cc(C[NH+]3CCC(CN4CCN(C)CC4)CC3)ccc2c1 ZINC000289373957 498123974 /nfs/dbraw/zinc/12/39/74/498123974.db2.gz BOHQAUDVQLWQJY-UHFFFAOYSA-N 1 3 367.537 3.308 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686284 505994011 /nfs/dbraw/zinc/99/40/11/505994011.db2.gz JNERRXKQMJFYOE-UKRRQHHQSA-N 1 3 361.313 3.055 20 0 FGADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281424322 498146078 /nfs/dbraw/zinc/14/60/78/498146078.db2.gz BXYQMXXQISXRQW-FGZHOGPDSA-N 1 3 369.484 3.418 20 0 FGADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281424322 498146085 /nfs/dbraw/zinc/14/60/85/498146085.db2.gz BXYQMXXQISXRQW-FGZHOGPDSA-N 1 3 369.484 3.418 20 0 FGADHO OCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000285924199 498242057 /nfs/dbraw/zinc/24/20/57/498242057.db2.gz CNVJNMODKIDQND-BHDDXSALSA-N 1 3 372.553 3.056 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc3occc3c2)CC1 ZINC000289777406 498289282 /nfs/dbraw/zinc/28/92/82/498289282.db2.gz KXVCHHLRCCWPSC-UHFFFAOYSA-N 1 3 369.509 3.247 20 0 FGADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)cc(OC)c1OCC(F)F ZINC000289787876 498293214 /nfs/dbraw/zinc/29/32/14/498293214.db2.gz QKNBTZYICDQAJK-UHFFFAOYSA-N 1 3 360.445 3.025 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cc(O)cc(C(F)(F)F)c3)CC2)CC1 ZINC000289804156 498300119 /nfs/dbraw/zinc/30/01/19/498300119.db2.gz IKZAIQHYEJMFEI-UHFFFAOYSA-N 1 3 371.447 3.059 20 0 FGADHO C[N@@H+]1CCC[C@@H](N2CCN(CCCc3cccc4ccccc43)CC2)C1 ZINC000360960013 498327689 /nfs/dbraw/zinc/32/76/89/498327689.db2.gz OELVRYVWANPRMH-JOCHJYFZSA-N 1 3 351.538 3.484 20 0 FGADHO C[N@H+]1CCC[C@@H](N2CCN(CCCc3cccc4ccccc43)CC2)C1 ZINC000360960013 498327698 /nfs/dbraw/zinc/32/76/98/498327698.db2.gz OELVRYVWANPRMH-JOCHJYFZSA-N 1 3 351.538 3.484 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925179 498355892 /nfs/dbraw/zinc/35/58/92/498355892.db2.gz VJJHMBKNWUAQSW-IBGZPJMESA-N 1 3 353.938 3.035 20 0 FGADHO Fc1ccc(-n2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811126 506021385 /nfs/dbraw/zinc/02/13/85/506021385.db2.gz LSLWCROXENFFBA-DLBZAZTESA-N 1 3 368.500 3.322 20 0 FGADHO c1ccc(COCCOCCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297343262 498413705 /nfs/dbraw/zinc/41/37/05/498413705.db2.gz DSOCKUKHGTVDSF-UHFFFAOYSA-N 1 3 369.509 3.264 20 0 FGADHO C[C@H](CC(=O)N1CCc2c1cccc2CN1CCCC1)C1CC[NH2+]CC1 ZINC000361710019 498421166 /nfs/dbraw/zinc/42/11/66/498421166.db2.gz BOEQPHDEUZTYGU-QGZVFWFLSA-N 1 3 355.526 3.197 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717827 498423901 /nfs/dbraw/zinc/42/39/01/498423901.db2.gz ITPHAGZPJNCUSG-OXFYSEKESA-N 1 3 363.571 3.273 20 0 FGADHO C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000581634127 506032432 /nfs/dbraw/zinc/03/24/32/506032432.db2.gz AMGOQHXWQLFTHG-JBACZVJFSA-N 1 3 369.553 3.420 20 0 FGADHO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420328 498515247 /nfs/dbraw/zinc/51/52/47/498515247.db2.gz WTTHSICGYCRYIO-QGZVFWFLSA-N 1 3 355.448 3.165 20 0 FGADHO C[C@H](O)c1ncc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519716 498582953 /nfs/dbraw/zinc/58/29/53/498582953.db2.gz XMSGLBUSGOQDDP-JYJNAYRXSA-N 1 3 359.539 3.443 20 0 FGADHO O=c1ccccn1C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298012761 498637665 /nfs/dbraw/zinc/63/76/65/498637665.db2.gz CMGSLYSCSQBIBP-JOCHJYFZSA-N 1 3 374.488 3.243 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)c1ccccc1 ZINC000303005128 498639729 /nfs/dbraw/zinc/63/97/29/498639729.db2.gz VNFSEELTJVIQRO-LJQANCHMSA-N 1 3 360.546 3.053 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000287300764 498707526 /nfs/dbraw/zinc/70/75/26/498707526.db2.gz DPLJYTOCAVZSQD-DOTOQJQBSA-N 1 3 350.503 3.164 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000287300764 498707532 /nfs/dbraw/zinc/70/75/32/498707532.db2.gz DPLJYTOCAVZSQD-DOTOQJQBSA-N 1 3 350.503 3.164 20 0 FGADHO O=C1[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1Cl ZINC000298295647 498724276 /nfs/dbraw/zinc/72/42/76/498724276.db2.gz HJYNIICQRKOYNR-SFHVURJKSA-N 1 3 370.884 3.099 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648631 498762184 /nfs/dbraw/zinc/76/21/84/498762184.db2.gz GQIRVWIHKZVQRL-QFBILLFUSA-N 1 3 363.502 3.041 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149331 506088626 /nfs/dbraw/zinc/08/86/26/506088626.db2.gz SZFMRPBTZBAQQI-SYYKKAFVSA-N 1 3 360.542 3.009 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149331 506088630 /nfs/dbraw/zinc/08/86/30/506088630.db2.gz SZFMRPBTZBAQQI-SYYKKAFVSA-N 1 3 360.542 3.009 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259252 498845972 /nfs/dbraw/zinc/84/59/72/498845972.db2.gz NGQNIAOAVVXTJH-AYOQOUSVSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259252 498845980 /nfs/dbraw/zinc/84/59/80/498845980.db2.gz NGQNIAOAVVXTJH-AYOQOUSVSA-N 1 3 363.933 3.293 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccco3)C(C)C)CC2)CC1 ZINC000576239143 506110543 /nfs/dbraw/zinc/11/05/43/506110543.db2.gz RPYIRIKIHHQSQB-UHFFFAOYSA-N 1 3 361.530 3.213 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000363794961 498996471 /nfs/dbraw/zinc/99/64/71/498996471.db2.gz FHIBEAMGVUETBG-GJJHYRHESA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000363794961 498996477 /nfs/dbraw/zinc/99/64/77/498996477.db2.gz FHIBEAMGVUETBG-GJJHYRHESA-N 1 3 366.933 3.027 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4ccoc4c3)CC2)CC1 ZINC000333397406 498997025 /nfs/dbraw/zinc/99/70/25/498997025.db2.gz AYIYKVDLFRAMKQ-UHFFFAOYSA-N 1 3 356.470 3.113 20 0 FGADHO C[N@@H+](Cc1ccc(-n2cncn2)cc1)CC1CCN(c2ccncc2)CC1 ZINC000363876652 499036462 /nfs/dbraw/zinc/03/64/62/499036462.db2.gz RQEBLXGSFVHSIE-UHFFFAOYSA-N 1 3 362.481 3.011 20 0 FGADHO C[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CCN(c2ccncc2)CC1 ZINC000363876652 499036466 /nfs/dbraw/zinc/03/64/66/499036466.db2.gz RQEBLXGSFVHSIE-UHFFFAOYSA-N 1 3 362.481 3.011 20 0 FGADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OCc1c(C)noc1C ZINC000291701702 499040100 /nfs/dbraw/zinc/04/01/00/499040100.db2.gz KGOFODSAOYUVTH-AWEZNQCLSA-N 1 3 361.486 3.166 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000369934000 499154065 /nfs/dbraw/zinc/15/40/65/499154065.db2.gz PUFKDCSWSXTURA-OAQYLSRUSA-N 1 3 361.505 3.329 20 0 FGADHO CC(C)CCc1nc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367622490 499219016 /nfs/dbraw/zinc/21/90/16/499219016.db2.gz IEDJAKAXVJOSLK-IBGZPJMESA-N 1 3 364.603 3.332 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367675627 499224030 /nfs/dbraw/zinc/22/40/30/499224030.db2.gz YVJABWVHRKRLDA-JOCHJYFZSA-N 1 3 357.542 3.032 20 0 FGADHO CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885829 499241896 /nfs/dbraw/zinc/24/18/96/499241896.db2.gz MWUHXZUMCIBYAM-OAQYLSRUSA-N 1 3 366.509 3.059 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705976 499246318 /nfs/dbraw/zinc/24/63/18/499246318.db2.gz KQOWTPFNISFMTI-XXBNENTESA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705976 499246320 /nfs/dbraw/zinc/24/63/20/499246320.db2.gz KQOWTPFNISFMTI-XXBNENTESA-N 1 3 371.569 3.466 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773613 499253182 /nfs/dbraw/zinc/25/31/82/499253182.db2.gz OXGXKOXCHMHSQK-WMLDXEAASA-N 1 3 371.447 3.332 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000368297318 499283073 /nfs/dbraw/zinc/28/30/73/499283073.db2.gz WJPRBGZNYOJMQK-TVFCKZIOSA-N 1 3 351.535 3.238 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000368540312 499305621 /nfs/dbraw/zinc/30/56/21/499305621.db2.gz SLRKCHXIFJSMTP-UHFFFAOYSA-N 1 3 351.579 3.075 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304251 499308109 /nfs/dbraw/zinc/30/81/09/499308109.db2.gz SDTMHZXYOTUJSG-VGOFRKELSA-N 1 3 352.526 3.001 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000368743522 499327294 /nfs/dbraw/zinc/32/72/94/499327294.db2.gz UQKMALLGLPNBCR-UNMCSNQZSA-N 1 3 374.573 3.435 20 0 FGADHO Cc1ccc2cc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930386 499347792 /nfs/dbraw/zinc/34/77/92/499347792.db2.gz KYGNWDDUXVTNDQ-VGOFRKELSA-N 1 3 352.526 3.001 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371986401 499386971 /nfs/dbraw/zinc/38/69/71/499386971.db2.gz ZMGVQLVVQOOWEY-IOMROCGXSA-N 1 3 373.541 3.260 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371986401 499386973 /nfs/dbraw/zinc/38/69/73/499386973.db2.gz ZMGVQLVVQOOWEY-IOMROCGXSA-N 1 3 373.541 3.260 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432382 /nfs/dbraw/zinc/43/23/82/499432382.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 1 3 365.525 3.140 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432384 /nfs/dbraw/zinc/43/23/84/499432384.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 1 3 365.525 3.140 20 0 FGADHO O=C(NCC1CCN(Cc2ccccc2F)CC1)C1CC[NH+](C2CC2)CC1 ZINC000373322104 499463291 /nfs/dbraw/zinc/46/32/91/499463291.db2.gz UXNWJEAHZIQGRF-UHFFFAOYSA-N 1 3 373.516 3.028 20 0 FGADHO NC(=O)c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000377200303 499670358 /nfs/dbraw/zinc/67/03/58/499670358.db2.gz XSMFMOCRJHTCBQ-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO NC(=O)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000377200303 499670360 /nfs/dbraw/zinc/67/03/60/499670360.db2.gz XSMFMOCRJHTCBQ-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000411145061 499702605 /nfs/dbraw/zinc/70/26/05/499702605.db2.gz QZPHRKXRGSLYLW-LJQANCHMSA-N 1 3 351.922 3.227 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617288 499710861 /nfs/dbraw/zinc/71/08/61/499710861.db2.gz AJNNIDHAXVMRSC-PXNSSMCTSA-N 1 3 356.466 3.192 20 0 FGADHO CN(Cc1cnc(C(C)(C)C)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634821 499713404 /nfs/dbraw/zinc/71/34/04/499713404.db2.gz YUFKHYREGQCGBG-INIZCTEOSA-N 1 3 350.576 3.041 20 0 FGADHO COCCOCc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377690936 499720616 /nfs/dbraw/zinc/72/06/16/499720616.db2.gz HKBVWTIODOJBSV-UHFFFAOYSA-N 1 3 369.509 3.345 20 0 FGADHO COCCOCc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377690936 499720617 /nfs/dbraw/zinc/72/06/17/499720617.db2.gz HKBVWTIODOJBSV-UHFFFAOYSA-N 1 3 369.509 3.345 20 0 FGADHO OCC1(NCc2cccc(C[NH+]3CCCCC3)c2)Cc2ccccc2C1 ZINC000411278125 499720695 /nfs/dbraw/zinc/72/06/95/499720695.db2.gz JOKOOCSOURXHNI-UHFFFAOYSA-N 1 3 350.506 3.292 20 0 FGADHO OCC1([NH2+]Cc2cccc(CN3CCCCC3)c2)Cc2ccccc2C1 ZINC000411278125 499720697 /nfs/dbraw/zinc/72/06/97/499720697.db2.gz JOKOOCSOURXHNI-UHFFFAOYSA-N 1 3 350.506 3.292 20 0 FGADHO COc1ccc([C@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377714756 499724227 /nfs/dbraw/zinc/72/42/27/499724227.db2.gz IUCIJWNOMXPOST-OKCRPCIYSA-N 1 3 357.542 3.042 20 0 FGADHO COc1ccc([C@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377714756 499724229 /nfs/dbraw/zinc/72/42/29/499724229.db2.gz IUCIJWNOMXPOST-OKCRPCIYSA-N 1 3 357.542 3.042 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000377763204 499730161 /nfs/dbraw/zinc/73/01/61/499730161.db2.gz RDAUZXHXSMCJBN-NQIIRXRSSA-N 1 3 370.493 3.495 20 0 FGADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)s1 ZINC000414180484 499766276 /nfs/dbraw/zinc/76/62/76/499766276.db2.gz BGHBFCUTVXUCFB-OAHLLOKOSA-N 1 3 371.978 3.239 20 0 FGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414182374 499766710 /nfs/dbraw/zinc/76/67/10/499766710.db2.gz DEFCBRNVGKLVFI-JOCHJYFZSA-N 1 3 373.585 3.030 20 0 FGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414193371 499767415 /nfs/dbraw/zinc/76/74/15/499767415.db2.gz MPSNGIMKCXTLPI-QFIPXVFZSA-N 1 3 373.585 3.468 20 0 FGADHO CCC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414343531 499779338 /nfs/dbraw/zinc/77/93/38/499779338.db2.gz QLFNVLIUKCDIHJ-OAQYLSRUSA-N 1 3 357.542 3.442 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361526 499780770 /nfs/dbraw/zinc/78/07/70/499780770.db2.gz CPFJCFRGPICAPP-QZTJIDSGSA-N 1 3 370.541 3.027 20 0 FGADHO CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000414525015 499802825 /nfs/dbraw/zinc/80/28/25/499802825.db2.gz LOUFRRCBFWIZFO-UHFFFAOYSA-N 1 3 372.484 3.341 20 0 FGADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556172 499808307 /nfs/dbraw/zinc/80/83/07/499808307.db2.gz NTQHMINZIRIMFN-XLIONFOSSA-N 1 3 357.542 3.300 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997462 499811412 /nfs/dbraw/zinc/81/14/12/499811412.db2.gz IAMLXJHOLZDUSK-RTWAWAEBSA-N 1 3 357.542 3.245 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412039167 499815935 /nfs/dbraw/zinc/81/59/35/499815935.db2.gz PSMIXSWFBIWWRI-HXUWFJFHSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412039167 499815936 /nfs/dbraw/zinc/81/59/36/499815936.db2.gz PSMIXSWFBIWWRI-HXUWFJFHSA-N 1 3 355.526 3.419 20 0 FGADHO CCC(CC)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000414704805 499821414 /nfs/dbraw/zinc/82/14/14/499821414.db2.gz JRFFYEBTEVWCON-OAHLLOKOSA-N 1 3 351.922 3.142 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706105 499821460 /nfs/dbraw/zinc/82/14/60/499821460.db2.gz OLAAOGFVUVIEPW-APWZRJJASA-N 1 3 363.933 3.454 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706105 499821461 /nfs/dbraw/zinc/82/14/61/499821461.db2.gz OLAAOGFVUVIEPW-APWZRJJASA-N 1 3 363.933 3.454 20 0 FGADHO [NH3+]CC(=O)N1CCC[C@H](CN(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709022 499821775 /nfs/dbraw/zinc/82/17/75/499821775.db2.gz QUNAEMGOFFTROX-LJQANCHMSA-N 1 3 369.484 3.025 20 0 FGADHO C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC[NH2+]1 ZINC000414762657 499827732 /nfs/dbraw/zinc/82/77/32/499827732.db2.gz WJWFTGBNFGFXCH-KGLIPLIRSA-N 1 3 365.905 3.084 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414795269 499832118 /nfs/dbraw/zinc/83/21/18/499832118.db2.gz GKOSYEVXFJPUOL-KCQAQPDRSA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414795269 499832119 /nfs/dbraw/zinc/83/21/19/499832119.db2.gz GKOSYEVXFJPUOL-KCQAQPDRSA-N 1 3 353.894 3.173 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)N ZINC000414798155 499832619 /nfs/dbraw/zinc/83/26/19/499832619.db2.gz FFFJNYBIZMEMBC-VIFPVBQESA-N 1 3 351.800 3.403 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CC1 ZINC000414805874 499833276 /nfs/dbraw/zinc/83/32/76/499833276.db2.gz PXNSVCKJOHAIIP-OTYXRUKQSA-N 1 3 363.811 3.403 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCCC1 ZINC000414834448 499835784 /nfs/dbraw/zinc/83/57/84/499835784.db2.gz BYHIAYWCUJDPGL-OAHLLOKOSA-N 1 3 351.922 3.328 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CCCNCc2cccnc2)CCN1Cc1ccccc1 ZINC000414882924 499840929 /nfs/dbraw/zinc/84/09/29/499840929.db2.gz SNTZURXPEWJGKC-UGKGYDQZSA-N 1 3 352.526 3.204 20 0 FGADHO CC1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]CC1 ZINC000414899070 499842878 /nfs/dbraw/zinc/84/28/78/499842878.db2.gz GTSILLIJSYSWRP-UHFFFAOYSA-N 1 3 363.303 3.319 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993097 499852694 /nfs/dbraw/zinc/85/26/94/499852694.db2.gz CDRPUWJYKLNVJT-RYUDHWBXSA-N 1 3 354.285 3.181 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415072266 499860903 /nfs/dbraw/zinc/86/09/03/499860903.db2.gz VZGWKDPABQFTLZ-GXTWGEPZSA-N 1 3 359.392 3.034 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115139 499865460 /nfs/dbraw/zinc/86/54/60/499865460.db2.gz WHLNXYOTFBXSDC-PKOBYXMFSA-N 1 3 354.441 3.049 20 0 FGADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415132414 499868263 /nfs/dbraw/zinc/86/82/63/499868263.db2.gz UDQXLISFJQLAJB-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000415201389 499876487 /nfs/dbraw/zinc/87/64/87/499876487.db2.gz KOXQAMDGNSJJPC-UYAOXDASSA-N 1 3 355.526 3.126 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415884275 499924347 /nfs/dbraw/zinc/92/43/47/499924347.db2.gz PGUSLSSPKUXFGD-HXUWFJFHSA-N 1 3 352.482 3.065 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894563 499925237 /nfs/dbraw/zinc/92/52/37/499925237.db2.gz MKWJHHJNDGKESN-KSSFIOAISA-N 1 3 356.470 3.176 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000415899133 499925883 /nfs/dbraw/zinc/92/58/83/499925883.db2.gz JATZQHMUTHAVDL-LPHOPBHVSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000415903450 499926106 /nfs/dbraw/zinc/92/61/06/499926106.db2.gz QHKQASOWHWVALK-UHFFFAOYSA-N 1 3 368.525 3.434 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000415910882 499927302 /nfs/dbraw/zinc/92/73/02/499927302.db2.gz CKVSLFMZNBGXCB-PMACEKPBSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000415914198 499927899 /nfs/dbraw/zinc/92/78/99/499927899.db2.gz VENOQUSKLSJINL-UHFFFAOYSA-N 1 3 354.498 3.438 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000415917579 499928213 /nfs/dbraw/zinc/92/82/13/499928213.db2.gz KMUSRMKUNXKQIS-UHFFFAOYSA-N 1 3 367.497 3.229 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000415917881 499928278 /nfs/dbraw/zinc/92/82/78/499928278.db2.gz JTRBXJZDWFTEDG-UZLBHIALSA-N 1 3 352.482 3.363 20 0 FGADHO CNCc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415924500 499929150 /nfs/dbraw/zinc/92/91/50/499929150.db2.gz YNOZQFRUOVEGDC-LJQANCHMSA-N 1 3 358.530 3.382 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000415928954 499929714 /nfs/dbraw/zinc/92/97/14/499929714.db2.gz GKCWUTOAJOETTM-FQEVSTJZSA-N 1 3 370.497 3.229 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC000415933890 499930170 /nfs/dbraw/zinc/93/01/70/499930170.db2.gz QRLCNMUOFBRCJR-SFHVURJKSA-N 1 3 366.509 3.392 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000415934177 499930318 /nfs/dbraw/zinc/93/03/18/499930318.db2.gz RMBNTVLFAIRNRZ-UHFFFAOYSA-N 1 3 358.486 3.375 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415970963 499935388 /nfs/dbraw/zinc/93/53/88/499935388.db2.gz MDJNNKOYACLZLJ-WBMJQRKESA-N 1 3 370.419 3.255 20 0 FGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981896 499937104 /nfs/dbraw/zinc/93/71/04/499937104.db2.gz WTGWXWQMDKMSST-UHFFFAOYSA-N 1 3 362.424 3.019 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000415994865 499938923 /nfs/dbraw/zinc/93/89/23/499938923.db2.gz WMRMMJYVLMDTOA-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416143959 499957498 /nfs/dbraw/zinc/95/74/98/499957498.db2.gz LRJKRJQPXGRGGC-FQEVSTJZSA-N 1 3 355.482 3.259 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208679 500005536 /nfs/dbraw/zinc/00/55/36/500005536.db2.gz BIVFUJDQLMPUCJ-FPOVZHCZSA-N 1 3 372.557 3.230 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292341 500030562 /nfs/dbraw/zinc/03/05/62/500030562.db2.gz CHZUNQOEDUIRRM-XJKSGUPXSA-N 1 3 374.451 3.125 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000421377336 500032183 /nfs/dbraw/zinc/03/21/83/500032183.db2.gz RHDPOBSIDYNSBC-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000421377336 500032186 /nfs/dbraw/zinc/03/21/86/500032186.db2.gz RHDPOBSIDYNSBC-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000421377336 500032188 /nfs/dbraw/zinc/03/21/88/500032188.db2.gz RHDPOBSIDYNSBC-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000417351635 500047159 /nfs/dbraw/zinc/04/71/59/500047159.db2.gz CZTHYVMLDPSURN-JGUMPVPUSA-N 1 3 370.541 3.056 20 0 FGADHO C[N@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CCCC1 ZINC000417505788 500092377 /nfs/dbraw/zinc/09/23/77/500092377.db2.gz KQPKBRHGOYNKIV-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CCCC1 ZINC000417505788 500092381 /nfs/dbraw/zinc/09/23/81/500092381.db2.gz KQPKBRHGOYNKIV-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435737 500106136 /nfs/dbraw/zinc/10/61/36/500106136.db2.gz UHLJQZIJGVEUAZ-ICSRJNTNSA-N 1 3 368.525 3.370 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417589889 500119562 /nfs/dbraw/zinc/11/95/62/500119562.db2.gz QQILKXSERXIXFK-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000416791199 500121511 /nfs/dbraw/zinc/12/15/11/500121511.db2.gz WAALPXYIBXOSIA-DYESRHJHSA-N 1 3 366.509 3.343 20 0 FGADHO CC1CCN([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416826486 500130786 /nfs/dbraw/zinc/13/07/86/500130786.db2.gz BSIIUIJYAFVTGL-MRXNPFEDSA-N 1 3 366.575 3.147 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416834137 500133559 /nfs/dbraw/zinc/13/35/59/500133559.db2.gz DCUQLBVBAVKMKT-NRFANRHFSA-N 1 3 366.509 3.172 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847652 500136977 /nfs/dbraw/zinc/13/69/77/500136977.db2.gz VPBVXGWHJYGHAQ-QHAWAJNXSA-N 1 3 372.557 3.101 20 0 FGADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000417688684 500149042 /nfs/dbraw/zinc/14/90/42/500149042.db2.gz JAAICFXXXUMPAV-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421819590 500158084 /nfs/dbraw/zinc/15/80/84/500158084.db2.gz HWZVNCIOXPCYOZ-FQEVSTJZSA-N 1 3 351.510 3.149 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](N)c2ccccc2)c1 ZINC000416988995 500176869 /nfs/dbraw/zinc/17/68/69/500176869.db2.gz UZYQFUWMZLJWJF-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000417979107 500208152 /nfs/dbraw/zinc/20/81/52/500208152.db2.gz DULYNROBXFNNET-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO CN(C)C(=O)c1ccccc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000417979107 500208156 /nfs/dbraw/zinc/20/81/56/500208156.db2.gz DULYNROBXFNNET-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984130 500209390 /nfs/dbraw/zinc/20/93/90/500209390.db2.gz OMGCILFJCWKMGD-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000418025433 500215976 /nfs/dbraw/zinc/21/59/76/500215976.db2.gz DNCYUNXGLFBTAR-OAQYLSRUSA-N 1 3 374.573 3.174 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166626 500240989 /nfs/dbraw/zinc/24/09/89/500240989.db2.gz ZOAYIYZIGQDAAG-PMACEKPBSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000422261950 500243491 /nfs/dbraw/zinc/24/34/91/500243491.db2.gz NZAZBSCQPNQFNI-DAWZGUTISA-N 1 3 366.937 3.115 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179583 500243534 /nfs/dbraw/zinc/24/35/34/500243534.db2.gz JNJGACBGSKTACB-YJBOKZPZSA-N 1 3 366.937 3.022 20 0 FGADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000418228323 500252884 /nfs/dbraw/zinc/25/28/84/500252884.db2.gz DSUBUFJBMBIBKK-MOPGFXCFSA-N 1 3 372.538 3.010 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418355396 500267805 /nfs/dbraw/zinc/26/78/05/500267805.db2.gz BKEMAOPBRKTFES-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418409479 500273244 /nfs/dbraw/zinc/27/32/44/500273244.db2.gz AIESOVRXSNWKAR-SXLOBPIMSA-N 1 3 360.546 3.054 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418456371 500279060 /nfs/dbraw/zinc/27/90/60/500279060.db2.gz FTQOXDPMMRDXAT-UHFFFAOYSA-N 1 3 366.575 3.134 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000422608952 500281026 /nfs/dbraw/zinc/28/10/26/500281026.db2.gz NLNVIGFKVQJWSQ-SOAGJPPSSA-N 1 3 354.498 3.012 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418483100 500282156 /nfs/dbraw/zinc/28/21/56/500282156.db2.gz FLULSWAGKGKPNI-IERDGZPVSA-N 1 3 368.525 3.211 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418500949 500285188 /nfs/dbraw/zinc/28/51/88/500285188.db2.gz PZDRVWMYXWFSQJ-IBGZPJMESA-N 1 3 356.514 3.259 20 0 FGADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418526424 500287531 /nfs/dbraw/zinc/28/75/31/500287531.db2.gz ZTAODMXVQWDQBF-AZUAARDMSA-N 1 3 372.557 3.243 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726477 500291119 /nfs/dbraw/zinc/29/11/19/500291119.db2.gz DZBZZOXLJOHJFO-JJRVBVJISA-N 1 3 357.420 3.271 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726477 500291122 /nfs/dbraw/zinc/29/11/22/500291122.db2.gz DZBZZOXLJOHJFO-JJRVBVJISA-N 1 3 357.420 3.271 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742867 500293116 /nfs/dbraw/zinc/29/31/16/500293116.db2.gz SKZZWDLPEIQQAC-IAOVAPTHSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cccc(Br)c2)CCC1 ZINC000422742867 500293118 /nfs/dbraw/zinc/29/31/18/500293118.db2.gz SKZZWDLPEIQQAC-IAOVAPTHSA-N 1 3 367.331 3.213 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCCC1 ZINC000422742413 500293123 /nfs/dbraw/zinc/29/31/23/500293123.db2.gz GHJOLKHOTOHPKG-KKSFZXQISA-N 1 3 368.525 3.345 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OCC(C)C)CC[NH2+]CC1 ZINC000422746091 500294039 /nfs/dbraw/zinc/29/40/39/500294039.db2.gz YWQIGBCXBKHYEM-KRWDZBQOSA-N 1 3 362.514 3.132 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760334 500295362 /nfs/dbraw/zinc/29/53/62/500295362.db2.gz LVGLBPWIGAXSFA-CBPXPLCBSA-N 1 3 357.542 3.342 20 0 FGADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418634165 500298687 /nfs/dbraw/zinc/29/86/87/500298687.db2.gz DVGHZSLXOQSBST-NQIIRXRSSA-N 1 3 370.541 3.163 20 0 FGADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418634167 500298719 /nfs/dbraw/zinc/29/87/19/500298719.db2.gz DVGHZSLXOQSBST-RXVVDRJESA-N 1 3 370.541 3.163 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422852492 500305944 /nfs/dbraw/zinc/30/59/44/500305944.db2.gz AWOKOHJALZHLNW-MTNREXPMSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422871123 500307860 /nfs/dbraw/zinc/30/78/60/500307860.db2.gz ZVFVZKDEXRFVPD-BBRMVZONSA-N 1 3 353.388 3.071 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707345 500310107 /nfs/dbraw/zinc/31/01/07/500310107.db2.gz BOKDUFDWSTYONO-DLBZAZTESA-N 1 3 352.567 3.046 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2oc3ccc(F)cc3c2C)CC[NH2+]CC1 ZINC000422899138 500313047 /nfs/dbraw/zinc/31/30/47/500313047.db2.gz GUZKKCPALOEMBO-AWEZNQCLSA-N 1 3 362.445 3.291 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422926730 500317404 /nfs/dbraw/zinc/31/74/04/500317404.db2.gz DTCCQEAFVVNZPN-UWVAXJGDSA-N 1 3 361.530 3.020 20 0 FGADHO Cc1sc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930641 500318178 /nfs/dbraw/zinc/31/81/78/500318178.db2.gz VIMOCMRBROPXEL-GUDVDZBRSA-N 1 3 371.550 3.408 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000422949420 500322615 /nfs/dbraw/zinc/32/26/15/500322615.db2.gz UEBGDZLRWBVGOM-GFCCVEGCSA-N 1 3 364.287 3.341 20 0 FGADHO COCCNc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963305 500324881 /nfs/dbraw/zinc/32/48/81/500324881.db2.gz FMRZAPOZNZMOEE-IFMALSPDSA-N 1 3 367.493 3.090 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422962037 500324891 /nfs/dbraw/zinc/32/48/91/500324891.db2.gz BSQHRDVANNHSBJ-SPEDKVCISA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000422962037 500324894 /nfs/dbraw/zinc/32/48/94/500324894.db2.gz BSQHRDVANNHSBJ-SPEDKVCISA-N 1 3 352.526 3.155 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020890 500331935 /nfs/dbraw/zinc/33/19/35/500331935.db2.gz DBQBZETUPLDXNT-OPGCRTJHSA-N 1 3 353.913 3.450 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423020890 500331938 /nfs/dbraw/zinc/33/19/38/500331938.db2.gz DBQBZETUPLDXNT-OPGCRTJHSA-N 1 3 353.913 3.450 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCc2ccccc2F)cc1 ZINC000423051785 500335772 /nfs/dbraw/zinc/33/57/72/500335772.db2.gz PAYDYGMQWVTGLX-PAXLWEDBSA-N 1 3 358.457 3.247 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2c(Cl)cccc2C1 ZINC000423062278 500337350 /nfs/dbraw/zinc/33/73/50/500337350.db2.gz SUCULUOWKFJOSN-KKSFZXQISA-N 1 3 357.929 3.246 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066641 500337966 /nfs/dbraw/zinc/33/79/66/500337966.db2.gz FBQABFZPNYPUDQ-NZUILWFCSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066641 500337968 /nfs/dbraw/zinc/33/79/68/500337968.db2.gz FBQABFZPNYPUDQ-NZUILWFCSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088082 500340446 /nfs/dbraw/zinc/34/04/46/500340446.db2.gz PKDVDBBGMZRMLA-UKPHBRMFSA-N 1 3 352.320 3.006 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000423092659 500341287 /nfs/dbraw/zinc/34/12/87/500341287.db2.gz CVGUMCWMADTYSE-YNEHKIRRSA-N 1 3 360.283 3.328 20 0 FGADHO FC(F)O[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103506 500342273 /nfs/dbraw/zinc/34/22/73/500342273.db2.gz AUCPWSPGUYUIFM-FXRXJOCMSA-N 1 3 352.425 3.382 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101492 500342389 /nfs/dbraw/zinc/34/23/89/500342389.db2.gz IYLILIVNMLWSGZ-FCHUYYIVSA-N 1 3 351.494 3.394 20 0 FGADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143879 500347978 /nfs/dbraw/zinc/34/79/78/500347978.db2.gz FHNQFJYLTNNYCW-KSZLIROESA-N 1 3 370.946 3.014 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173868 500351176 /nfs/dbraw/zinc/35/11/76/500351176.db2.gz AKGBOERMPIMKHV-CRAIPNDOSA-N 1 3 366.347 3.131 20 0 FGADHO C[N@H+](CCCNC(=O)C(C)(C)[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000423309479 500363352 /nfs/dbraw/zinc/36/33/52/500363352.db2.gz LLODACSTFBEARL-HXUWFJFHSA-N 1 3 353.510 3.351 20 0 FGADHO C[N@@H+](CCCNC(=O)C(C)(C)[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000423309479 500363355 /nfs/dbraw/zinc/36/33/55/500363355.db2.gz LLODACSTFBEARL-HXUWFJFHSA-N 1 3 353.510 3.351 20 0 FGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314768 500363563 /nfs/dbraw/zinc/36/35/63/500363563.db2.gz HRRHUIKZNRWAQX-QRWLVFNGSA-N 1 3 350.466 3.301 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423332532 500364426 /nfs/dbraw/zinc/36/44/26/500364426.db2.gz NNNHNDXUSUGCDU-OAQYLSRUSA-N 1 3 357.542 3.373 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422343 506191345 /nfs/dbraw/zinc/19/13/45/506191345.db2.gz ALDFXDLYNWCODI-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000423356494 500366667 /nfs/dbraw/zinc/36/66/67/500366667.db2.gz JYPIZLSPXGYVFX-HZPDHXFCSA-N 1 3 357.523 3.410 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc1F ZINC000423381836 500369116 /nfs/dbraw/zinc/36/91/16/500369116.db2.gz ZTCLHHMTUYKGPN-OSZJIOELSA-N 1 3 371.475 3.493 20 0 FGADHO COCC1(CN[C@@H](C)c2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000423413119 500372485 /nfs/dbraw/zinc/37/24/85/500372485.db2.gz YELHDAJEAONCEJ-ZDUSSCGKSA-N 1 3 371.319 3.125 20 0 FGADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423500045 500379067 /nfs/dbraw/zinc/37/90/67/500379067.db2.gz CNZCZCFNQVLMPB-SLFFLAALSA-N 1 3 354.494 3.370 20 0 FGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515210 500381358 /nfs/dbraw/zinc/38/13/58/500381358.db2.gz XDKOXUGESOEQRR-KXBFYZLASA-N 1 3 361.511 3.189 20 0 FGADHO CC(=O)NCCc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512495 500381396 /nfs/dbraw/zinc/38/13/96/500381396.db2.gz USSQNQALQMQGJX-JTSKRJEESA-N 1 3 353.510 3.496 20 0 FGADHO [NH3+]C1(CN[C@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000423545493 500383752 /nfs/dbraw/zinc/38/37/52/500383752.db2.gz CRTZCHPTMUQFBS-NRFANRHFSA-N 1 3 365.521 3.483 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546046 506192626 /nfs/dbraw/zinc/19/26/26/506192626.db2.gz VILJNXOFARXORG-UYAOXDASSA-N 1 3 368.456 3.038 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423768923 500400185 /nfs/dbraw/zinc/40/01/85/500400185.db2.gz BQCXAGNMEOGFOH-MOPGFXCFSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000579520702 506193574 /nfs/dbraw/zinc/19/35/74/506193574.db2.gz KRPWEROBGIIOOW-KXBFYZLASA-N 1 3 358.457 3.420 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299947 500436368 /nfs/dbraw/zinc/43/63/68/500436368.db2.gz BYHRAXCUBGWFPG-IUIKQTSFSA-N 1 3 357.267 3.026 20 0 FGADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337875 500444169 /nfs/dbraw/zinc/44/41/69/500444169.db2.gz KFOCBANVGPWZKX-PWIZWCRZSA-N 1 3 357.542 3.460 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340714 500445097 /nfs/dbraw/zinc/44/50/97/500445097.db2.gz UCASENSZZFAQNL-JLZZUVOBSA-N 1 3 358.404 3.474 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424265820 500478215 /nfs/dbraw/zinc/47/82/15/500478215.db2.gz KHHSIZSLNPSGKY-LJQANCHMSA-N 1 3 358.555 3.043 20 0 FGADHO C[C@H]1CC2(CN1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292139 500482560 /nfs/dbraw/zinc/48/25/60/500482560.db2.gz OFUAEGZOXDIKSZ-AWEZNQCLSA-N 1 3 353.304 3.292 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200666 /nfs/dbraw/zinc/20/06/66/506200666.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200668 /nfs/dbraw/zinc/20/06/68/506200668.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 1 3 364.489 3.412 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000424429841 500503811 /nfs/dbraw/zinc/50/38/11/500503811.db2.gz XWSSVILNYIPRCQ-OAQYLSRUSA-N 1 3 366.509 3.486 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828192 500511242 /nfs/dbraw/zinc/51/12/42/500511242.db2.gz DCPBLFAKCNTILW-CBNMVNINSA-N 1 3 374.573 3.315 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853217 500515694 /nfs/dbraw/zinc/51/56/94/500515694.db2.gz XWVDKICXVLPMHN-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853217 500515695 /nfs/dbraw/zinc/51/56/95/500515695.db2.gz XWVDKICXVLPMHN-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759107 500621049 /nfs/dbraw/zinc/62/10/49/500621049.db2.gz KGBLOTJWSGHTKQ-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759101 500621438 /nfs/dbraw/zinc/62/14/38/500621438.db2.gz KGBLOTJWSGHTKQ-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000442870613 500636818 /nfs/dbraw/zinc/63/68/18/500636818.db2.gz GGZSIQMLIQTPTK-KRWDZBQOSA-N 1 3 363.546 3.161 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000443005689 500661713 /nfs/dbraw/zinc/66/17/13/500661713.db2.gz XAOKQELCHHBXMB-ZWKOTPCHSA-N 1 3 356.432 3.481 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072493 500674327 /nfs/dbraw/zinc/67/43/27/500674327.db2.gz NOBGTMINJIRYQL-QWHCGFSZSA-N 1 3 358.313 3.231 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCCCN1C1CC1 ZINC000433558087 500711700 /nfs/dbraw/zinc/71/17/00/500711700.db2.gz AKLYERWYNGFWCM-OAQYLSRUSA-N 1 3 370.541 3.099 20 0 FGADHO COc1ccc([C@@H](CNc2ccnc3ccccc32)[NH+](C)C)cc1OC ZINC000443444936 500725820 /nfs/dbraw/zinc/72/58/20/500725820.db2.gz PVUIXPAQYRKYIZ-LJQANCHMSA-N 1 3 351.450 3.389 20 0 FGADHO CN1CCN(C)[C@@H](CNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)C1 ZINC000434099712 500795166 /nfs/dbraw/zinc/79/51/66/500795166.db2.gz KKIIOUAVUMEGPD-KRWDZBQOSA-N 1 3 362.477 3.107 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571823 500803236 /nfs/dbraw/zinc/80/32/36/500803236.db2.gz BFKPROQUCDEGNR-LEWJYISDSA-N 1 3 355.526 3.347 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438571823 500803238 /nfs/dbraw/zinc/80/32/38/500803238.db2.gz BFKPROQUCDEGNR-LEWJYISDSA-N 1 3 355.526 3.347 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(CN(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449064618 500915803 /nfs/dbraw/zinc/91/58/03/500915803.db2.gz VIZAONJUAJXQOK-MRXNPFEDSA-N 1 3 360.523 3.045 20 0 FGADHO C[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233773 500953905 /nfs/dbraw/zinc/95/39/05/500953905.db2.gz MZIIQRDZJRQHDX-QVKFZJNVSA-N 1 3 360.448 3.425 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4C[C@@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375408 500962397 /nfs/dbraw/zinc/96/23/97/500962397.db2.gz UXIRBTGNXWXYOW-IEBWSBKVSA-N 1 3 364.493 3.391 20 0 FGADHO CCn1cccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)c1=O ZINC000449291865 500968519 /nfs/dbraw/zinc/96/85/19/500968519.db2.gz ODAYUMNREMACGD-SFHVURJKSA-N 1 3 353.510 3.053 20 0 FGADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449330024 500979571 /nfs/dbraw/zinc/97/95/71/500979571.db2.gz REKQULPBZDUSLL-QGZVFWFLSA-N 1 3 353.501 3.418 20 0 FGADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449330024 500979572 /nfs/dbraw/zinc/97/95/72/500979572.db2.gz REKQULPBZDUSLL-QGZVFWFLSA-N 1 3 353.501 3.418 20 0 FGADHO COc1ncccc1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449336469 500981359 /nfs/dbraw/zinc/98/13/59/500981359.db2.gz NQARYFFOSIJIIL-SFHVURJKSA-N 1 3 353.510 3.318 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345437 500982989 /nfs/dbraw/zinc/98/29/89/500982989.db2.gz VNGQRBSRRGYBNJ-AVRDEDQJSA-N 1 3 365.521 3.288 20 0 FGADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H](CO)c1ccccc1 ZINC000449456873 501007315 /nfs/dbraw/zinc/00/73/15/501007315.db2.gz TVQAGRPACRCMMT-HSZRJFAPSA-N 1 3 367.537 3.382 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548438 501030476 /nfs/dbraw/zinc/03/04/76/501030476.db2.gz NHYRWEMDCXTTIW-IXDOHACOSA-N 1 3 372.463 3.360 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](N[C@@H]2CC[N@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548438 501030480 /nfs/dbraw/zinc/03/04/80/501030480.db2.gz NHYRWEMDCXTTIW-IXDOHACOSA-N 1 3 372.463 3.360 20 0 FGADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266011 501096264 /nfs/dbraw/zinc/09/62/64/501096264.db2.gz SXAXUZIXMYPJEG-NNMXDRDESA-N 1 3 371.525 3.144 20 0 FGADHO c1cncc(CN2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)c1 ZINC000436288095 501102174 /nfs/dbraw/zinc/10/21/74/501102174.db2.gz UVRNHYBKBGZGIX-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cncc(CN2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000436288095 501102176 /nfs/dbraw/zinc/10/21/76/501102176.db2.gz UVRNHYBKBGZGIX-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cncc(CN2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000436288095 501102178 /nfs/dbraw/zinc/10/21/78/501102178.db2.gz UVRNHYBKBGZGIX-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000607721815 506237981 /nfs/dbraw/zinc/23/79/81/506237981.db2.gz VDAPBCUJGQUSAS-IRXDYDNUSA-N 1 3 362.518 3.011 20 0 FGADHO COC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000446750656 501161040 /nfs/dbraw/zinc/16/10/40/501161040.db2.gz HOXNPQJXTNLPMP-QFIPXVFZSA-N 1 3 359.558 3.384 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000446839149 501171355 /nfs/dbraw/zinc/17/13/55/501171355.db2.gz PUUBRPGQKRGOGG-OAQYLSRUSA-N 1 3 356.489 3.474 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@H]4CCC[C@H](C)C4)CC3)C2)n(C)n1 ZINC000446840292 501171671 /nfs/dbraw/zinc/17/16/71/501171671.db2.gz YJXIHSANLARZRK-YYWHXJBOSA-N 1 3 373.589 3.330 20 0 FGADHO COC[C@]1(C)CCN(Cc2cccc(C[N@@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000451201474 501251613 /nfs/dbraw/zinc/25/16/13/501251613.db2.gz KEMHKKDTBFVUKY-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CCN(Cc2cccc(C[N@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000451201474 501251614 /nfs/dbraw/zinc/25/16/14/501251614.db2.gz KEMHKKDTBFVUKY-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000453059830 501260527 /nfs/dbraw/zinc/26/05/27/501260527.db2.gz AOKFNNZEVGTSEG-FQEVSTJZSA-N 1 3 366.553 3.330 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453083740 501265136 /nfs/dbraw/zinc/26/51/36/501265136.db2.gz GHGYGSOKLWPCGD-WLRLJWMZSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453083740 501265139 /nfs/dbraw/zinc/26/51/39/501265139.db2.gz GHGYGSOKLWPCGD-WLRLJWMZSA-N 1 3 355.526 3.030 20 0 FGADHO CC[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000457705442 501291730 /nfs/dbraw/zinc/29/17/30/501291730.db2.gz ZJHAMTANGCJLHK-HXUWFJFHSA-N 1 3 374.573 3.243 20 0 FGADHO COCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453213267 501292630 /nfs/dbraw/zinc/29/26/30/501292630.db2.gz MHXMGFDNGYZNST-VSKRKVRLSA-N 1 3 368.525 3.062 20 0 FGADHO CCCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649881 501343930 /nfs/dbraw/zinc/34/39/30/501343930.db2.gz JLRJODJDOWXDOA-WOJBJXKFSA-N 1 3 367.578 3.035 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000455607775 501346112 /nfs/dbraw/zinc/34/61/12/501346112.db2.gz JKITWEWDZLIJLM-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000455607775 501346113 /nfs/dbraw/zinc/34/61/13/501346113.db2.gz JKITWEWDZLIJLM-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)C1 ZINC000455864516 501402265 /nfs/dbraw/zinc/40/22/65/501402265.db2.gz SYYXJAJUFQVAGU-PZJWPPBQSA-N 1 3 356.514 3.185 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505989 501461170 /nfs/dbraw/zinc/46/11/70/501461170.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505989 501461172 /nfs/dbraw/zinc/46/11/72/501461172.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000458788393 501531780 /nfs/dbraw/zinc/53/17/80/501531780.db2.gz YCBHJNPITLCBCS-HBFSDRIKSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000458788393 501531782 /nfs/dbraw/zinc/53/17/82/501531782.db2.gz YCBHJNPITLCBCS-HBFSDRIKSA-N 1 3 360.546 3.110 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCC1 ZINC000458974807 501568845 /nfs/dbraw/zinc/56/88/45/501568845.db2.gz MUXRKWRGYKUSCA-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO O[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459518441 501668269 /nfs/dbraw/zinc/66/82/69/501668269.db2.gz RIUILFXHEIFIQS-RHSMWYFYSA-N 1 3 357.420 3.124 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000457480850 501706779 /nfs/dbraw/zinc/70/67/79/501706779.db2.gz NYVYKBCNQJPBEF-LJQANCHMSA-N 1 3 362.562 3.271 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535061 501718252 /nfs/dbraw/zinc/71/82/52/501718252.db2.gz SVQQFTBOVPSATN-NRFANRHFSA-N 1 3 372.557 3.297 20 0 FGADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000457543831 501719169 /nfs/dbraw/zinc/71/91/69/501719169.db2.gz UWVHTYJSCKYKDD-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000457543831 501719171 /nfs/dbraw/zinc/71/91/71/501719171.db2.gz UWVHTYJSCKYKDD-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO C[NH+](C)CCCC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474260389 501764874 /nfs/dbraw/zinc/76/48/74/501764874.db2.gz STCNWLCWKSJXAX-UHFFFAOYSA-N 1 3 361.921 3.475 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000467369507 501778779 /nfs/dbraw/zinc/77/87/79/501778779.db2.gz ZAABKNLYSOMRBX-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000467369507 501778783 /nfs/dbraw/zinc/77/87/83/501778783.db2.gz ZAABKNLYSOMRBX-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000467369507 501778790 /nfs/dbraw/zinc/77/87/90/501778790.db2.gz ZAABKNLYSOMRBX-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346823 501797610 /nfs/dbraw/zinc/79/76/10/501797610.db2.gz IARJMTWCGLNALI-MOJGAOKDSA-N 1 3 371.569 3.429 20 0 FGADHO COc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1Cl ZINC000485425392 501817345 /nfs/dbraw/zinc/81/73/45/501817345.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1Cl ZINC000485425392 501817349 /nfs/dbraw/zinc/81/73/49/501817349.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000481904013 501914049 /nfs/dbraw/zinc/91/40/49/501914049.db2.gz JMPAEEXDOGUDTG-NVXWUHKLSA-N 1 3 358.448 3.319 20 0 FGADHO COCC[NH+]1CCC(NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000468037111 501936271 /nfs/dbraw/zinc/93/62/71/501936271.db2.gz HYHITLPXAJENQW-UHFFFAOYSA-N 1 3 366.303 3.131 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917059 501958623 /nfs/dbraw/zinc/95/86/23/501958623.db2.gz ZNNWGWHTAXLSJI-LPHOPBHVSA-N 1 3 365.949 3.318 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917059 501958627 /nfs/dbraw/zinc/95/86/27/501958627.db2.gz ZNNWGWHTAXLSJI-LPHOPBHVSA-N 1 3 365.949 3.318 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000460938554 501963947 /nfs/dbraw/zinc/96/39/47/501963947.db2.gz KZGCVXOCVJKAQX-UHFFFAOYSA-N 1 3 366.594 3.404 20 0 FGADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000485883481 501975456 /nfs/dbraw/zinc/97/54/56/501975456.db2.gz NXOWYILBFBATHR-GHTZIAJQSA-N 1 3 357.542 3.402 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000482115208 501978451 /nfs/dbraw/zinc/97/84/51/501978451.db2.gz QTTFRBWDSXGHJG-LJQANCHMSA-N 1 3 364.537 3.433 20 0 FGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000482124114 501982540 /nfs/dbraw/zinc/98/25/40/501982540.db2.gz UIUYLGSBZIFJSA-JOCHJYFZSA-N 1 3 350.510 3.179 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475098627 502057230 /nfs/dbraw/zinc/05/72/30/502057230.db2.gz TZPNJRXJOSOZKB-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136781 502075076 /nfs/dbraw/zinc/07/50/76/502075076.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136781 502075080 /nfs/dbraw/zinc/07/50/80/502075080.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)CCOCCNCc1ccc(Br)cc1C(F)(F)F ZINC000478920732 502121117 /nfs/dbraw/zinc/12/11/17/502121117.db2.gz GTNNWMJLAQIHEY-UHFFFAOYSA-N 1 3 369.225 3.136 20 0 FGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000482634273 502134153 /nfs/dbraw/zinc/13/41/53/502134153.db2.gz SFQCDRUXFLOTDB-KJNZLNQQSA-N 1 3 357.542 3.298 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464965037 502159325 /nfs/dbraw/zinc/15/93/25/502159325.db2.gz UASIDNWLZHKWMN-DENIHFKCSA-N 1 3 371.569 3.272 20 0 FGADHO CC(C)Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894815 502209723 /nfs/dbraw/zinc/20/97/23/502209723.db2.gz XKQNVYKXEXNNCS-GOSISDBHSA-N 1 3 359.558 3.478 20 0 FGADHO OC1CC[NH+](CCCN[C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479367132 502235846 /nfs/dbraw/zinc/23/58/46/502235846.db2.gz VUHURRGZBGEWCZ-GOSISDBHSA-N 1 3 367.331 3.263 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395516 502246281 /nfs/dbraw/zinc/24/62/81/502246281.db2.gz UTIFXVWPRKQQLX-MLYOOKFZSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395516 502246286 /nfs/dbraw/zinc/24/62/86/502246286.db2.gz UTIFXVWPRKQQLX-MLYOOKFZSA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000465396174 502249077 /nfs/dbraw/zinc/24/90/77/502249077.db2.gz DCTYJHHNIWBLLZ-FQEVSTJZSA-N 1 3 366.594 3.118 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000465396174 502249082 /nfs/dbraw/zinc/24/90/82/502249082.db2.gz DCTYJHHNIWBLLZ-FQEVSTJZSA-N 1 3 366.594 3.118 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000465434090 502260749 /nfs/dbraw/zinc/26/07/49/502260749.db2.gz PHJKTMIBUCFDOV-CTNGQTDRSA-N 1 3 374.573 3.443 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000465434090 502260754 /nfs/dbraw/zinc/26/07/54/502260754.db2.gz PHJKTMIBUCFDOV-CTNGQTDRSA-N 1 3 374.573 3.443 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303199 /nfs/dbraw/zinc/30/31/99/506303199.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303206 /nfs/dbraw/zinc/30/32/06/506303206.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 1 3 369.553 3.087 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275678 /nfs/dbraw/zinc/27/56/78/502275678.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275680 /nfs/dbraw/zinc/27/56/80/502275680.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 1 3 374.573 3.410 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147792 502291110 /nfs/dbraw/zinc/29/11/10/502291110.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147792 502291114 /nfs/dbraw/zinc/29/11/14/502291114.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 1 3 369.553 3.422 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534704 502294063 /nfs/dbraw/zinc/29/40/63/502294063.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534704 502294070 /nfs/dbraw/zinc/29/40/70/502294070.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295439 502303871 /nfs/dbraw/zinc/30/38/71/502303871.db2.gz RDUPTKKMMLVTBC-MRXNPFEDSA-N 1 3 367.921 3.101 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000465579871 502314117 /nfs/dbraw/zinc/31/41/17/502314117.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000465579871 502314123 /nfs/dbraw/zinc/31/41/23/502314123.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000465596908 502320056 /nfs/dbraw/zinc/32/00/56/502320056.db2.gz LLODQQWWLXUMFS-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630684 502331807 /nfs/dbraw/zinc/33/18/07/502331807.db2.gz LZKVMKSXTLZTLD-TZIWHRDSSA-N 1 3 374.573 3.238 20 0 FGADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630684 502331810 /nfs/dbraw/zinc/33/18/10/502331810.db2.gz LZKVMKSXTLZTLD-TZIWHRDSSA-N 1 3 374.573 3.238 20 0 FGADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630679 502331841 /nfs/dbraw/zinc/33/18/41/502331841.db2.gz LZKVMKSXTLZTLD-CTNGQTDRSA-N 1 3 374.573 3.238 20 0 FGADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630679 502331844 /nfs/dbraw/zinc/33/18/44/502331844.db2.gz LZKVMKSXTLZTLD-CTNGQTDRSA-N 1 3 374.573 3.238 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000476005525 502356223 /nfs/dbraw/zinc/35/62/23/502356223.db2.gz MBGHXZRBLDITEO-FQEVSTJZSA-N 1 3 362.562 3.053 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000476010600 502357469 /nfs/dbraw/zinc/35/74/69/502357469.db2.gz KGGBILDORSNZTE-SFHLNBCPSA-N 1 3 374.573 3.236 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000476010600 502357472 /nfs/dbraw/zinc/35/74/72/502357472.db2.gz KGGBILDORSNZTE-SFHLNBCPSA-N 1 3 374.573 3.236 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721455 502359843 /nfs/dbraw/zinc/35/98/43/502359843.db2.gz KGYFMGUKBQXRQJ-SESVDKBCSA-N 1 3 372.557 3.242 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721455 502359850 /nfs/dbraw/zinc/35/98/50/502359850.db2.gz KGYFMGUKBQXRQJ-SESVDKBCSA-N 1 3 372.557 3.242 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000476029009 502362764 /nfs/dbraw/zinc/36/27/64/502362764.db2.gz DBENCXZGQRMDCF-MRXNPFEDSA-N 1 3 355.592 3.021 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000465772968 502379359 /nfs/dbraw/zinc/37/93/59/502379359.db2.gz QYUMKFDPIOPYIV-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(CC)CCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000472588754 502393356 /nfs/dbraw/zinc/39/33/56/502393356.db2.gz LCLCJXJEEYLFGH-UHFFFAOYSA-N 1 3 358.324 3.323 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502399009 /nfs/dbraw/zinc/39/90/09/502399009.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 1 3 366.575 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502399012 /nfs/dbraw/zinc/39/90/12/502399012.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 1 3 366.575 3.161 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000483481826 502405290 /nfs/dbraw/zinc/40/52/90/502405290.db2.gz ZATRMVDDGKGSNS-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435558 502415749 /nfs/dbraw/zinc/41/57/49/502415749.db2.gz CWZJDGCRGMLPAB-SFTDATJTSA-N 1 3 374.573 3.174 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435558 502415753 /nfs/dbraw/zinc/41/57/53/502415753.db2.gz CWZJDGCRGMLPAB-SFTDATJTSA-N 1 3 374.573 3.174 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465923004 502428593 /nfs/dbraw/zinc/42/85/93/502428593.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465923004 502428599 /nfs/dbraw/zinc/42/85/99/502428599.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580854 502436555 /nfs/dbraw/zinc/43/65/55/502436555.db2.gz HYJDZQXELXHYAT-YUVXSKOASA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580854 502436557 /nfs/dbraw/zinc/43/65/57/502436557.db2.gz HYJDZQXELXHYAT-YUVXSKOASA-N 1 3 369.553 3.372 20 0 FGADHO CC[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000465991238 502447998 /nfs/dbraw/zinc/44/79/98/502447998.db2.gz ZJJFNKAYPFOUPZ-QRVBRYPASA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000465991238 502448005 /nfs/dbraw/zinc/44/80/05/502448005.db2.gz ZJJFNKAYPFOUPZ-QRVBRYPASA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466033975 502460852 /nfs/dbraw/zinc/46/08/52/502460852.db2.gz DPMZHCZMIKTJNN-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000466099448 502478410 /nfs/dbraw/zinc/47/84/10/502478410.db2.gz JXIAKQZCUKZXIP-UHFFFAOYSA-N 1 3 366.594 3.262 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508571 /nfs/dbraw/zinc/50/85/71/502508571.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 1 3 373.585 3.161 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000480419347 502564248 /nfs/dbraw/zinc/56/42/48/502564248.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 1 3 374.569 3.448 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000480419347 502564255 /nfs/dbraw/zinc/56/42/55/502564255.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 1 3 374.569 3.448 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CC1(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000582603619 506321134 /nfs/dbraw/zinc/32/11/34/506321134.db2.gz JZFBBYZOIQUNFX-INIZCTEOSA-N 1 3 371.447 3.334 20 0 FGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553629 502601396 /nfs/dbraw/zinc/60/13/96/502601396.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553629 502601401 /nfs/dbraw/zinc/60/14/01/502601401.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 1 3 369.553 3.422 20 0 FGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000463035503 502668957 /nfs/dbraw/zinc/66/89/57/502668957.db2.gz QRUKPEUTWWXQNY-NHCUHLMSSA-N 1 3 359.558 3.116 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026309 502732339 /nfs/dbraw/zinc/73/23/39/502732339.db2.gz RLFBXOBVXAFLLN-WIYYLYMNSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499216 502733295 /nfs/dbraw/zinc/73/32/95/502733295.db2.gz NQPBZSHQGDKOOS-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499216 502733299 /nfs/dbraw/zinc/73/32/99/502733299.db2.gz NQPBZSHQGDKOOS-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1)N(C)C ZINC000481030381 502734203 /nfs/dbraw/zinc/73/42/03/502734203.db2.gz FNLVGOPKCPZYPB-KPFFTGBYSA-N 1 3 360.546 3.017 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000488513705 502737489 /nfs/dbraw/zinc/73/74/89/502737489.db2.gz HUMLGTQRSXHXNJ-RXVVDRJESA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N(C)CCN(C)C2CC2)CCCC1)c1ccccc1 ZINC000473917228 502748962 /nfs/dbraw/zinc/74/89/62/502748962.db2.gz DKHMQBPMLNLSGD-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000470361887 502749171 /nfs/dbraw/zinc/74/91/71/502749171.db2.gz LZRBGXVCMDITIA-MJGOQNOKSA-N 1 3 363.505 3.320 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000470361887 502749174 /nfs/dbraw/zinc/74/91/74/502749174.db2.gz LZRBGXVCMDITIA-MJGOQNOKSA-N 1 3 363.505 3.320 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000509133216 502829419 /nfs/dbraw/zinc/82/94/19/502829419.db2.gz XEZZDPDHSJYEMA-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000509133216 502829422 /nfs/dbraw/zinc/82/94/22/502829422.db2.gz XEZZDPDHSJYEMA-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380946 502831406 /nfs/dbraw/zinc/83/14/06/502831406.db2.gz SXECTPIVBIJYMS-MJGOQNOKSA-N 1 3 363.546 3.486 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858672 502880062 /nfs/dbraw/zinc/88/00/62/502880062.db2.gz KPMSSQHLCCKEEK-IBGZPJMESA-N 1 3 352.567 3.206 20 0 FGADHO Cc1cc(C)cc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501027128 502915235 /nfs/dbraw/zinc/91/52/35/502915235.db2.gz KGVOCLOWBRIPSC-UHFFFAOYSA-N 1 3 366.509 3.485 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163291 502951694 /nfs/dbraw/zinc/95/16/94/502951694.db2.gz MQBHUCXACLUQIA-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163291 502951696 /nfs/dbraw/zinc/95/16/96/502951696.db2.gz MQBHUCXACLUQIA-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000501186633 502955785 /nfs/dbraw/zinc/95/57/85/502955785.db2.gz KGISGEJGCBUPKG-LEWJYISDSA-N 1 3 374.573 3.345 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505709350 502971166 /nfs/dbraw/zinc/97/11/66/502971166.db2.gz OTVJTWCQOHJKGN-RTWAWAEBSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505709350 502971169 /nfs/dbraw/zinc/97/11/69/502971169.db2.gz OTVJTWCQOHJKGN-RTWAWAEBSA-N 1 3 370.541 3.099 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516729 502976508 /nfs/dbraw/zinc/97/65/08/502976508.db2.gz TZAYOUXNGGUKQX-PZJWPPBQSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516729 502976511 /nfs/dbraw/zinc/97/65/11/502976511.db2.gz TZAYOUXNGGUKQX-PZJWPPBQSA-N 1 3 374.573 3.126 20 0 FGADHO CC1CCN([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000497590026 502994809 /nfs/dbraw/zinc/99/48/09/502994809.db2.gz ZKIMFVTZJVHPSP-OAQYLSRUSA-N 1 3 372.557 3.197 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000497590025 502995079 /nfs/dbraw/zinc/99/50/79/502995079.db2.gz ZKIMFVTZJVHPSP-NRFANRHFSA-N 1 3 372.557 3.197 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513679232 502998937 /nfs/dbraw/zinc/99/89/37/502998937.db2.gz VRTYUPDKLSKVJK-NJDAHSKKSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513679232 502998939 /nfs/dbraw/zinc/99/89/39/502998939.db2.gz VRTYUPDKLSKVJK-NJDAHSKKSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513679232 502998941 /nfs/dbraw/zinc/99/89/41/502998941.db2.gz VRTYUPDKLSKVJK-NJDAHSKKSA-N 1 3 357.542 3.039 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000489684207 503010303 /nfs/dbraw/zinc/01/03/03/503010303.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 1 3 358.452 3.493 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000489684207 503010306 /nfs/dbraw/zinc/01/03/06/503010306.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 1 3 358.452 3.493 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958037 503018767 /nfs/dbraw/zinc/01/87/67/503018767.db2.gz RVGREVJVFHGVAH-LJQANCHMSA-N 1 3 367.537 3.251 20 0 FGADHO Cn1nccc1-c1ccccc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC000509986256 503024356 /nfs/dbraw/zinc/02/43/56/503024356.db2.gz YNYKVVCNMPORAH-UHFFFAOYSA-N 1 3 364.493 3.317 20 0 FGADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000501525093 503028769 /nfs/dbraw/zinc/02/87/69/503028769.db2.gz ZIQWEZPMWGYLGU-IAGOWNOFSA-N 1 3 362.518 3.011 20 0 FGADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000501525093 503028772 /nfs/dbraw/zinc/02/87/72/503028772.db2.gz ZIQWEZPMWGYLGU-IAGOWNOFSA-N 1 3 362.518 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784565 503033473 /nfs/dbraw/zinc/03/34/73/503033473.db2.gz WOAFWZVKXJHKFE-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045905 /nfs/dbraw/zinc/04/59/05/503045905.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045906 /nfs/dbraw/zinc/04/59/06/503045906.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000501802556 503082242 /nfs/dbraw/zinc/08/22/42/503082242.db2.gz NFSCQNXBTPFRBJ-HXUWFJFHSA-N 1 3 360.546 3.242 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336831 503094304 /nfs/dbraw/zinc/09/43/04/503094304.db2.gz NPKNONXPQKASOR-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336831 503094308 /nfs/dbraw/zinc/09/43/08/503094308.db2.gz NPKNONXPQKASOR-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000490195752 503127503 /nfs/dbraw/zinc/12/75/03/503127503.db2.gz CXSKXWNPZSCZTQ-XLIONFOSSA-N 1 3 360.546 3.242 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276068 503173277 /nfs/dbraw/zinc/17/32/77/503173277.db2.gz QMNPDVXLGQXKMW-QFIPXVFZSA-N 1 3 371.569 3.263 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000490497049 503183739 /nfs/dbraw/zinc/18/37/39/503183739.db2.gz YQYSWNYQTDQART-NRFANRHFSA-N 1 3 359.558 3.336 20 0 FGADHO C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)N1CCCCCC1 ZINC000510746883 503184408 /nfs/dbraw/zinc/18/44/08/503184408.db2.gz KUOHAVSQYMWPBO-GOSISDBHSA-N 1 3 367.603 3.119 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnnn2Cc2ccccc2)C1 ZINC000490553495 503194333 /nfs/dbraw/zinc/19/43/33/503194333.db2.gz BHUZMLAHBDAYFQ-RTBURBONSA-N 1 3 355.530 3.174 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000502617426 503239986 /nfs/dbraw/zinc/23/99/86/503239986.db2.gz XPPLYBNEAXRHSN-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO c1cnn(Cc2ccccc2CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232750 503298822 /nfs/dbraw/zinc/29/88/22/503298822.db2.gz NJNCWRJQJCXYEE-GMAHTHKFSA-N 1 3 374.488 3.277 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000502913673 503306688 /nfs/dbraw/zinc/30/66/88/503306688.db2.gz WWGTWAQLZKPFKT-IBGZPJMESA-N 1 3 372.557 3.154 20 0 FGADHO CC[NH+](CC)CC1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000507949819 503402003 /nfs/dbraw/zinc/40/20/03/503402003.db2.gz JFZAOXCJYWQGBD-UHFFFAOYSA-N 1 3 359.514 3.272 20 0 FGADHO CCN1CCN(CCC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000512045582 503442186 /nfs/dbraw/zinc/44/21/86/503442186.db2.gz NDWOWHXIVIMBLP-UHFFFAOYSA-N 1 3 351.538 3.436 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814730 503448195 /nfs/dbraw/zinc/44/81/95/503448195.db2.gz WKLWKRNHBPNDKU-OKZBNKHCSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814730 503448199 /nfs/dbraw/zinc/44/81/99/503448199.db2.gz WKLWKRNHBPNDKU-OKZBNKHCSA-N 1 3 364.534 3.128 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000503650991 503452004 /nfs/dbraw/zinc/45/20/04/503452004.db2.gz SSWDEXHONCZEHS-HXUWFJFHSA-N 1 3 372.557 3.420 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503650991 503452006 /nfs/dbraw/zinc/45/20/06/503452006.db2.gz SSWDEXHONCZEHS-HXUWFJFHSA-N 1 3 372.557 3.420 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695286 503459486 /nfs/dbraw/zinc/45/94/86/503459486.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695286 503459487 /nfs/dbraw/zinc/45/94/87/503459487.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 1 3 357.542 3.279 20 0 FGADHO COC(=O)COc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000611956247 506373647 /nfs/dbraw/zinc/37/36/47/506373647.db2.gz ZWYBMORFEBCWHI-UHFFFAOYSA-N 1 3 374.525 3.326 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCC1 ZINC000504191885 503536917 /nfs/dbraw/zinc/53/69/17/503536917.db2.gz WMADDXDFDMQUKC-OAQYLSRUSA-N 1 3 374.573 3.448 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000504420582 503572434 /nfs/dbraw/zinc/57/24/34/503572434.db2.gz XIPMLRKQDRZZLW-WOJBJXKFSA-N 1 3 360.546 3.192 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000508849432 503576292 /nfs/dbraw/zinc/57/62/92/503576292.db2.gz BTTUVBLZRJOGQG-JYBIWHBTSA-N 1 3 360.546 3.192 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000508849432 503576297 /nfs/dbraw/zinc/57/62/97/503576297.db2.gz BTTUVBLZRJOGQG-JYBIWHBTSA-N 1 3 360.546 3.192 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508852704 503578542 /nfs/dbraw/zinc/57/85/42/503578542.db2.gz NDJWLKYKWXFTFO-CUWPLCDZSA-N 1 3 372.557 3.051 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508852704 503578546 /nfs/dbraw/zinc/57/85/46/503578546.db2.gz NDJWLKYKWXFTFO-CUWPLCDZSA-N 1 3 372.557 3.051 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC000508871249 503584075 /nfs/dbraw/zinc/58/40/75/503584075.db2.gz PFGCMYUDDDKKCS-WIYYLYMNSA-N 1 3 372.557 3.256 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000494668150 503588600 /nfs/dbraw/zinc/58/86/00/503588600.db2.gz WBCLBFWPNQRJDG-LLGFUMIMSA-N 1 3 374.548 3.101 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1)N(C)C ZINC000494699081 503594987 /nfs/dbraw/zinc/59/49/87/503594987.db2.gz YVYQEIFSKNCKGI-YLJYHZDGSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@H]1C ZINC000512667497 503608017 /nfs/dbraw/zinc/60/80/17/503608017.db2.gz PWMRXRLTWFYKRZ-LQWHRVPQSA-N 1 3 357.542 3.427 20 0 FGADHO Fc1ccc2c(c1)nccc2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000500462982 503629536 /nfs/dbraw/zinc/62/95/36/503629536.db2.gz DBOULXMDHKSWOG-UHFFFAOYSA-N 1 3 365.456 3.393 20 0 FGADHO C[NH+](C)CC1(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)CCCC1 ZINC000517130094 503651778 /nfs/dbraw/zinc/65/17/78/503651778.db2.gz NCTSECKYFAWFLS-PZJWPPBQSA-N 1 3 360.542 3.153 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000536656434 503662911 /nfs/dbraw/zinc/66/29/11/503662911.db2.gz OJTUFHRJBCINSS-UHFFFAOYSA-N 1 3 365.587 3.227 20 0 FGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000540395704 503758387 /nfs/dbraw/zinc/75/83/87/503758387.db2.gz DXNOKTBZIKQILN-QGZVFWFLSA-N 1 3 370.459 3.320 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000543674753 503848500 /nfs/dbraw/zinc/84/85/00/503848500.db2.gz KUJWKCBKWUXSLG-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889394 503859896 /nfs/dbraw/zinc/85/98/96/503859896.db2.gz KZGQTCIRZWIBKI-GIVPXCGWSA-N 1 3 372.557 3.242 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527655055 503878074 /nfs/dbraw/zinc/87/80/74/503878074.db2.gz XSLSGKRXZLFXCR-HNNXBMFYSA-N 1 3 373.463 3.077 20 0 FGADHO C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212948 503879070 /nfs/dbraw/zinc/87/90/70/503879070.db2.gz SCHCBTDVUFXJTE-VOQZNFBZSA-N 1 3 366.461 3.062 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527659965 503881707 /nfs/dbraw/zinc/88/17/07/503881707.db2.gz NKVRPRSAKUROOD-XZOQPEGZSA-N 1 3 373.585 3.083 20 0 FGADHO FC(F)(F)c1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243749 503892328 /nfs/dbraw/zinc/89/23/28/503892328.db2.gz YBDXPHNZYKFJHL-GOSISDBHSA-N 1 3 372.431 3.175 20 0 FGADHO CN1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527681404 503892877 /nfs/dbraw/zinc/89/28/77/503892877.db2.gz APSJOCOIJOLRNP-UHFFFAOYSA-N 1 3 367.316 3.252 20 0 FGADHO C[N@H+]1CC=C(CNCc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527681404 503892884 /nfs/dbraw/zinc/89/28/84/503892884.db2.gz APSJOCOIJOLRNP-UHFFFAOYSA-N 1 3 367.316 3.252 20 0 FGADHO C[N@@H+]1CC=C(CNCc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527681404 503892888 /nfs/dbraw/zinc/89/28/88/503892888.db2.gz APSJOCOIJOLRNP-UHFFFAOYSA-N 1 3 367.316 3.252 20 0 FGADHO CCCOc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530248119 503894267 /nfs/dbraw/zinc/89/42/67/503894267.db2.gz GLLAEYBWYYAERK-LJQANCHMSA-N 1 3 362.514 3.075 20 0 FGADHO Clc1ccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248338 503894456 /nfs/dbraw/zinc/89/44/56/503894456.db2.gz JGGKFYGFMJPVSP-IBGZPJMESA-N 1 3 374.916 3.321 20 0 FGADHO Cc1ccc(CN2CCCC2)cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540927615 503942376 /nfs/dbraw/zinc/94/23/76/503942376.db2.gz XZCSSYHJSGPVLJ-UHFFFAOYSA-N 1 3 352.482 3.451 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344775 503957318 /nfs/dbraw/zinc/95/73/18/503957318.db2.gz XTMNEDZDZJEMGS-SESVDKBCSA-N 1 3 372.557 3.276 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344769 503958077 /nfs/dbraw/zinc/95/80/77/503958077.db2.gz XTMNEDZDZJEMGS-CEWLAPEOSA-N 1 3 372.557 3.276 20 0 FGADHO COc1ccc([C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc2)cc1 ZINC000537607061 503971416 /nfs/dbraw/zinc/97/14/16/503971416.db2.gz MGMUVELIJYMYTR-HSZRJFAPSA-N 1 3 367.537 3.402 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc(OCCN(C)C)c1 ZINC000518565894 504017767 /nfs/dbraw/zinc/01/77/67/504017767.db2.gz RIJCPYSQXYYHTC-DFQSSKMNSA-N 1 3 373.541 3.211 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216286 504046575 /nfs/dbraw/zinc/04/65/75/504046575.db2.gz KUZNNNMSWMQICX-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216286 504046580 /nfs/dbraw/zinc/04/65/80/504046580.db2.gz KUZNNNMSWMQICX-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO C[C@@](O)(C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000518758782 504055418 /nfs/dbraw/zinc/05/54/18/504055418.db2.gz ADJHAIGOJBUKTA-MRXNPFEDSA-N 1 3 364.839 3.455 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784206 504063152 /nfs/dbraw/zinc/06/31/52/504063152.db2.gz URRHRNFUGUJJTF-SIKLNZKXSA-N 1 3 372.553 3.320 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCN(CC(C)C)CC1 ZINC000530904336 504125004 /nfs/dbraw/zinc/12/50/04/504125004.db2.gz PXDPIDQOPXJLSK-UHFFFAOYSA-N 1 3 374.481 3.438 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179322 504159007 /nfs/dbraw/zinc/15/90/07/504159007.db2.gz HOCCEUCCOJTQMZ-NHCUHLMSSA-N 1 3 372.557 3.195 20 0 FGADHO c1ccc(CN2CCC[C@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190890 /nfs/dbraw/zinc/19/08/90/504190890.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(CN2CCC[C@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190898 /nfs/dbraw/zinc/19/08/98/504190898.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 1 3 358.526 3.170 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783937 504257135 /nfs/dbraw/zinc/25/71/35/504257135.db2.gz XKGMHEISVUTRJV-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508303 504267590 /nfs/dbraw/zinc/26/75/90/504267590.db2.gz HLTVAYQPPSCDDQ-APWZRJJASA-N 1 3 356.466 3.118 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000541851005 504275564 /nfs/dbraw/zinc/27/55/64/504275564.db2.gz UROHDDBHDNDDGH-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985742 504324185 /nfs/dbraw/zinc/32/41/85/504324185.db2.gz LRNSJJQXYIGLAT-HBMCJLEFSA-N 1 3 355.570 3.282 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985742 504324188 /nfs/dbraw/zinc/32/41/88/504324188.db2.gz LRNSJJQXYIGLAT-HBMCJLEFSA-N 1 3 355.570 3.282 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000528711119 504343796 /nfs/dbraw/zinc/34/37/96/504343796.db2.gz YCKIPRNPQHMMJE-LJQANCHMSA-N 1 3 372.513 3.087 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000528711119 504343798 /nfs/dbraw/zinc/34/37/98/504343798.db2.gz YCKIPRNPQHMMJE-LJQANCHMSA-N 1 3 372.513 3.087 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728900 504406361 /nfs/dbraw/zinc/40/63/61/504406361.db2.gz VHMABVCAZOGODP-UONOGXRCSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728900 504406364 /nfs/dbraw/zinc/40/63/64/504406364.db2.gz VHMABVCAZOGODP-UONOGXRCSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1)CC(C)C ZINC000539097026 504470824 /nfs/dbraw/zinc/47/08/24/504470824.db2.gz PJERCUDERPCNNZ-UHFFFAOYSA-N 1 3 370.541 3.275 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1)CC(C)C ZINC000539097026 504470826 /nfs/dbraw/zinc/47/08/26/504470826.db2.gz PJERCUDERPCNNZ-UHFFFAOYSA-N 1 3 370.541 3.275 20 0 FGADHO CCCN1CCN(c2ccccc2CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000532042688 504516064 /nfs/dbraw/zinc/51/60/64/504516064.db2.gz UDAULASMZSEKTJ-UHFFFAOYSA-N 1 3 370.585 3.183 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730143 504544543 /nfs/dbraw/zinc/54/45/43/504544543.db2.gz NGFVXKUYIDUCRT-NQIIRXRSSA-N 1 3 357.542 3.409 20 0 FGADHO Cc1cccc(C)c1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542596237 504549643 /nfs/dbraw/zinc/54/96/43/504549643.db2.gz VBOIGBFSAFMJGE-UHFFFAOYSA-N 1 3 359.558 3.032 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000520772947 504578085 /nfs/dbraw/zinc/57/80/85/504578085.db2.gz MVKWJJXOSDPQTH-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CCCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OCC ZINC000532373835 504626864 /nfs/dbraw/zinc/62/68/64/504626864.db2.gz LYLFUEPUAYTTHL-UHFFFAOYSA-N 1 3 364.530 3.199 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1CCN(C)CC1 ZINC000545980785 504664509 /nfs/dbraw/zinc/66/45/09/504664509.db2.gz HELLOHXQXOWRQW-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479465 504665340 /nfs/dbraw/zinc/66/53/40/504665340.db2.gz QDZUPBQHMFQMFN-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479465 504665342 /nfs/dbraw/zinc/66/53/42/504665342.db2.gz QDZUPBQHMFQMFN-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479465 504665344 /nfs/dbraw/zinc/66/53/44/504665344.db2.gz QDZUPBQHMFQMFN-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO C[N@H+](CCC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCCC1 ZINC000546016206 504675332 /nfs/dbraw/zinc/67/53/32/504675332.db2.gz RNPMZSWJFMQNOT-UHFFFAOYSA-N 1 3 367.603 3.119 20 0 FGADHO C[N@@H+](CCC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCCC1 ZINC000546016206 504675336 /nfs/dbraw/zinc/67/53/36/504675336.db2.gz RNPMZSWJFMQNOT-UHFFFAOYSA-N 1 3 367.603 3.119 20 0 FGADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCCN(Cc2ccccc2)CC1 ZINC000521214493 504681865 /nfs/dbraw/zinc/68/18/65/504681865.db2.gz AHVUQCATOONBNO-UHFFFAOYSA-N 1 3 364.493 3.072 20 0 FGADHO Fc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c2ncccc12 ZINC000539823148 504705011 /nfs/dbraw/zinc/70/50/11/504705011.db2.gz RVDWJCKYKSGOAB-UHFFFAOYSA-N 1 3 357.473 3.451 20 0 FGADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000521319754 504708032 /nfs/dbraw/zinc/70/80/32/504708032.db2.gz LKBSCEXGRSVQCY-IFMALSPDSA-N 1 3 354.494 3.025 20 0 FGADHO CCCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000539832163 504709556 /nfs/dbraw/zinc/70/95/56/504709556.db2.gz ZJSLJAOOFNCELS-UHFFFAOYSA-N 1 3 350.503 3.027 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899336 504734967 /nfs/dbraw/zinc/73/49/67/504734967.db2.gz DRFQOPILYOGUIM-CTNGQTDRSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899336 504734970 /nfs/dbraw/zinc/73/49/70/504734970.db2.gz DRFQOPILYOGUIM-CTNGQTDRSA-N 1 3 371.569 3.466 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069552 504773223 /nfs/dbraw/zinc/77/32/23/504773223.db2.gz OWFZLDJAPCTZGZ-HXUWFJFHSA-N 1 3 370.541 3.328 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)Cc1ccc(F)cc1 ZINC000559151791 504792359 /nfs/dbraw/zinc/79/23/59/504792359.db2.gz QIDRLXAEJSXGDC-FKKSXTGDSA-N 1 3 370.512 3.475 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)Cc1ccc(F)cc1 ZINC000559151791 504792366 /nfs/dbraw/zinc/79/23/66/504792366.db2.gz QIDRLXAEJSXGDC-FKKSXTGDSA-N 1 3 370.512 3.475 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270141 504832684 /nfs/dbraw/zinc/83/26/84/504832684.db2.gz ZVYIWHXRMUDYMG-VOFPXKNKSA-N 1 3 368.525 3.102 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270141 504832687 /nfs/dbraw/zinc/83/26/87/504832687.db2.gz ZVYIWHXRMUDYMG-VOFPXKNKSA-N 1 3 368.525 3.102 20 0 FGADHO O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)CN1CCCC1 ZINC000549523468 504841408 /nfs/dbraw/zinc/84/14/08/504841408.db2.gz ULAMKGICCROHGU-AEFFLSMTSA-N 1 3 367.331 3.263 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccco1 ZINC000553405062 504905599 /nfs/dbraw/zinc/90/55/99/504905599.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 1 3 369.509 3.225 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccco1 ZINC000553405062 504905604 /nfs/dbraw/zinc/90/56/04/504905604.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 1 3 369.509 3.225 20 0 FGADHO CN(C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861090 504920142 /nfs/dbraw/zinc/92/01/42/504920142.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 1 3 356.485 3.183 20 0 FGADHO CN(C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861090 504920146 /nfs/dbraw/zinc/92/01/46/504920146.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 1 3 356.485 3.183 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742854 504921369 /nfs/dbraw/zinc/92/13/69/504921369.db2.gz GQLYLJCLAMNTAR-UGESXGAOSA-N 1 3 359.558 3.301 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562750317 504932586 /nfs/dbraw/zinc/93/25/86/504932586.db2.gz GNTIUXVSYOCFAR-SFTDATJTSA-N 1 3 372.488 3.038 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896618 504946847 /nfs/dbraw/zinc/94/68/47/504946847.db2.gz VSQNTSUCPFFDCD-LVCYWYKZSA-N 1 3 355.530 3.324 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896618 504946848 /nfs/dbraw/zinc/94/68/48/504946848.db2.gz VSQNTSUCPFFDCD-LVCYWYKZSA-N 1 3 355.530 3.324 20 0 FGADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556886238 505007281 /nfs/dbraw/zinc/00/72/81/505007281.db2.gz KDNUJPUOQOXSOO-XUVXKRRUSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940744 505033280 /nfs/dbraw/zinc/03/32/80/505033280.db2.gz QYOHFKWQQSZFRE-PXNSSMCTSA-N 1 3 372.557 3.147 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060293 505036774 /nfs/dbraw/zinc/03/67/74/505036774.db2.gz CFRKZVZUHQEDBP-RBUKOAKNSA-N 1 3 357.523 3.134 20 0 FGADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000563065328 505038300 /nfs/dbraw/zinc/03/83/00/505038300.db2.gz HQBIIXDHRRRSIH-JXFKEZNVSA-N 1 3 351.494 3.029 20 0 FGADHO COc1nc2ccccc2cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000560327713 505047011 /nfs/dbraw/zinc/04/70/11/505047011.db2.gz MZDOHLUNXNGGPT-CALCHBBNSA-N 1 3 357.498 3.222 20 0 FGADHO C[C@@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000566062412 505069388 /nfs/dbraw/zinc/06/93/88/505069388.db2.gz FUUIJLVCENXJLX-MNOVXSKESA-N 1 3 350.816 3.143 20 0 FGADHO Cc1nc2ccccc2n1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089577 505077292 /nfs/dbraw/zinc/07/72/92/505077292.db2.gz RRXSIHZGIYQBDN-DENIHFKCSA-N 1 3 362.477 3.190 20 0 FGADHO Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CCCC2)cc1C ZINC000566089337 505077480 /nfs/dbraw/zinc/07/74/80/505077480.db2.gz ZVSORZSDUHPHBP-DFQSSKMNSA-N 1 3 373.541 3.144 20 0 FGADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CCCC2)cc1C ZINC000566089337 505077483 /nfs/dbraw/zinc/07/74/83/505077483.db2.gz ZVSORZSDUHPHBP-DFQSSKMNSA-N 1 3 373.541 3.144 20 0 FGADHO C[C@@H](NCCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000566116076 505086196 /nfs/dbraw/zinc/08/61/96/505086196.db2.gz NVOPWNOXDVLQLT-CYBMUJFWSA-N 1 3 370.335 3.344 20 0 FGADHO CN1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700347 505086313 /nfs/dbraw/zinc/08/63/13/505086313.db2.gz GASOQRJJKYWSGV-FGZHOGPDSA-N 1 3 371.569 3.447 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524568 505115020 /nfs/dbraw/zinc/11/50/20/505115020.db2.gz GKBMMFPHZUOJRU-BJLQDIEVSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524568 505115021 /nfs/dbraw/zinc/11/50/21/505115021.db2.gz GKBMMFPHZUOJRU-BJLQDIEVSA-N 1 3 371.529 3.055 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533657 505117418 /nfs/dbraw/zinc/11/74/18/505117418.db2.gz UNBXDXTWXVHYBA-NNWRFLSQSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533657 505117421 /nfs/dbraw/zinc/11/74/21/505117421.db2.gz UNBXDXTWXVHYBA-NNWRFLSQSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533657 505117422 /nfs/dbraw/zinc/11/74/22/505117422.db2.gz UNBXDXTWXVHYBA-NNWRFLSQSA-N 1 3 350.510 3.300 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)N(C)C)cc1 ZINC000554217063 505117820 /nfs/dbraw/zinc/11/78/20/505117820.db2.gz UYYDYUNQVKVFOO-QMMLZNLJSA-N 1 3 372.557 3.120 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255265 505126761 /nfs/dbraw/zinc/12/67/61/505126761.db2.gz RCUYTHSPCVNYFX-DLBZAZTESA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000554443909 505175409 /nfs/dbraw/zinc/17/54/09/505175409.db2.gz VFZZKVABLICDCI-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1cc(CN(C)C)cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000557662948 505197187 /nfs/dbraw/zinc/19/71/87/505197187.db2.gz IDWPKNNZHAPMKT-IBGZPJMESA-N 1 3 361.555 3.213 20 0 FGADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549626 505204056 /nfs/dbraw/zinc/20/40/56/505204056.db2.gz FACCCIHTLNBWAQ-CGTJXYLNSA-N 1 3 355.448 3.123 20 0 FGADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554549626 505204060 /nfs/dbraw/zinc/20/40/60/505204060.db2.gz FACCCIHTLNBWAQ-CGTJXYLNSA-N 1 3 355.448 3.123 20 0 FGADHO C[C@H](OC[C@@H](O)C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556288 505204574 /nfs/dbraw/zinc/20/45/74/505204574.db2.gz JXBZIQDJDRVUQV-GRCLEANCSA-N 1 3 366.933 3.385 20 0 FGADHO CSC1(CN[C@H](C)c2cncc(Br)c2)CC[NH+](C)CC1 ZINC000566571768 505210015 /nfs/dbraw/zinc/21/00/15/505210015.db2.gz DHFBXWAOAUJZGJ-GFCCVEGCSA-N 1 3 358.349 3.322 20 0 FGADHO CSC1(C[NH2+][C@H](C)c2cncc(Br)c2)CCN(C)CC1 ZINC000566571768 505210017 /nfs/dbraw/zinc/21/00/17/505210017.db2.gz DHFBXWAOAUJZGJ-GFCCVEGCSA-N 1 3 358.349 3.322 20 0 FGADHO COc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979711 505221600 /nfs/dbraw/zinc/22/16/00/505221600.db2.gz PFYHGVQAZIYCII-AZUAARDMSA-N 1 3 362.514 3.201 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000566806305 505277642 /nfs/dbraw/zinc/27/76/42/505277642.db2.gz QDSOUGBIBAOJIP-QFIPXVFZSA-N 1 3 369.553 3.026 20 0 FGADHO CCC[N@@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)CC(C)C ZINC000558060295 505298797 /nfs/dbraw/zinc/29/87/97/505298797.db2.gz LEWJCGUBSKKIKT-UHFFFAOYSA-N 1 3 359.558 3.444 20 0 FGADHO CCC[N@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)CC(C)C ZINC000558060295 505298802 /nfs/dbraw/zinc/29/88/02/505298802.db2.gz LEWJCGUBSKKIKT-UHFFFAOYSA-N 1 3 359.558 3.444 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561426528 505342036 /nfs/dbraw/zinc/34/20/36/505342036.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 1 3 361.505 3.028 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561426528 505342039 /nfs/dbraw/zinc/34/20/39/505342039.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 1 3 361.505 3.028 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000558377585 505371034 /nfs/dbraw/zinc/37/10/34/505371034.db2.gz UXNZKMVWVCCHHW-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000552025897 505374180 /nfs/dbraw/zinc/37/41/80/505374180.db2.gz PICFDUIWWZQAAN-UIBIWLFHSA-N 1 3 365.949 3.363 20 0 FGADHO C[C@H](CCc1ccc(Cl)s1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552064766 505387784 /nfs/dbraw/zinc/38/77/84/505387784.db2.gz NDSLLNGRYUUINN-OAHLLOKOSA-N 1 3 371.978 3.304 20 0 FGADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000552065580 505387809 /nfs/dbraw/zinc/38/78/09/505387809.db2.gz FXGXCSFLLRWHOF-KJJMTIBFSA-N 1 3 364.537 3.478 20 0 FGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccncc2OCCN(C)C)CC1 ZINC000561782965 505437240 /nfs/dbraw/zinc/43/72/40/505437240.db2.gz SGEKILNNTXZSER-RXVVDRJESA-N 1 3 374.573 3.155 20 0 FGADHO CNC(=O)C[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000561962161 505478994 /nfs/dbraw/zinc/47/89/94/505478994.db2.gz RVNTTZSRZFIWQB-COPCDDAFSA-N 1 3 365.521 3.364 20 0 FGADHO CN1CCN(CC2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976436 505483116 /nfs/dbraw/zinc/48/31/16/505483116.db2.gz FKAXGDNHVGNWPL-GOTSBHOMSA-N 1 3 355.570 3.456 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000558820478 505502317 /nfs/dbraw/zinc/50/23/17/505502317.db2.gz BYUBZQUYFMHQJP-JOCHJYFZSA-N 1 3 365.521 3.185 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000567706551 505544385 /nfs/dbraw/zinc/54/43/85/505544385.db2.gz WBHUBIHCDFRIKX-GGAORHGYSA-N 1 3 365.521 3.067 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000564938733 505561999 /nfs/dbraw/zinc/56/19/99/505561999.db2.gz SHCXGVQJODUBHH-LVCYWYKZSA-N 1 3 372.557 3.012 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000564938733 505562000 /nfs/dbraw/zinc/56/20/00/505562000.db2.gz SHCXGVQJODUBHH-LVCYWYKZSA-N 1 3 372.557 3.012 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000567821707 505566013 /nfs/dbraw/zinc/56/60/13/505566013.db2.gz IKQDMYDUAKRYKQ-OAQYLSRUSA-N 1 3 366.509 3.090 20 0 FGADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000608617256 506633639 /nfs/dbraw/zinc/63/36/39/506633639.db2.gz UYUSLABVRXJHGP-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608650977 506648902 /nfs/dbraw/zinc/64/89/02/506648902.db2.gz VQGCYZVBDSVRCQ-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608650977 506648906 /nfs/dbraw/zinc/64/89/06/506648906.db2.gz VQGCYZVBDSVRCQ-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000583234082 506664352 /nfs/dbraw/zinc/66/43/52/506664352.db2.gz MVJFBJBWRBFIDD-NMNUPHIUSA-N 1 3 368.521 3.444 20 0 FGADHO CSC1(CNCc2cn(-c3cccc(C)c3)nc2C)CC[NH+](C)CC1 ZINC000593630946 506709070 /nfs/dbraw/zinc/70/90/70/506709070.db2.gz XZFXVVYVGNOXEC-UHFFFAOYSA-N 1 3 358.555 3.406 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317081 506713993 /nfs/dbraw/zinc/71/39/93/506713993.db2.gz PHNAJNUKHHTGMK-HKUYNNGSSA-N 1 3 363.505 3.229 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317081 506714000 /nfs/dbraw/zinc/71/40/00/506714000.db2.gz PHNAJNUKHHTGMK-HKUYNNGSSA-N 1 3 363.505 3.229 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000604165030 506733217 /nfs/dbraw/zinc/73/32/17/506733217.db2.gz WTVHZSOZIZGFRB-OAQYLSRUSA-N 1 3 370.541 3.140 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491482 506808091 /nfs/dbraw/zinc/80/80/91/506808091.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491482 506808095 /nfs/dbraw/zinc/80/80/95/506808095.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 1 3 369.553 3.374 20 0 FGADHO CCC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000590637596 506891248 /nfs/dbraw/zinc/89/12/48/506891248.db2.gz WPYQJCVESCGWLN-YLJYHZDGSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941798 /nfs/dbraw/zinc/94/17/98/506941798.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941805 /nfs/dbraw/zinc/94/18/05/506941805.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 1 3 366.594 3.307 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC000604784713 506942900 /nfs/dbraw/zinc/94/29/00/506942900.db2.gz NIHMEIQHJWQCPZ-RBUKOAKNSA-N 1 3 362.562 3.263 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)oc1C ZINC000583746944 506950562 /nfs/dbraw/zinc/95/05/62/506950562.db2.gz BGUPLSGRGKGNSN-WOJBJXKFSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1nc(CN2CCC(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)oc1C ZINC000583746944 506950569 /nfs/dbraw/zinc/95/05/69/506950569.db2.gz BGUPLSGRGKGNSN-WOJBJXKFSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000583752954 506952884 /nfs/dbraw/zinc/95/28/84/506952884.db2.gz IWIGCGFGOVPCCV-IRXDYDNUSA-N 1 3 352.482 3.437 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491524 507117557 /nfs/dbraw/zinc/11/75/57/507117557.db2.gz VVLSDXDSIWRHTP-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491524 507117561 /nfs/dbraw/zinc/11/75/61/507117561.db2.gz VVLSDXDSIWRHTP-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000591285568 507185256 /nfs/dbraw/zinc/18/52/56/507185256.db2.gz DHTZWCYRFAFRHC-UHFFFAOYSA-N 1 3 373.472 3.183 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591554162 507290281 /nfs/dbraw/zinc/29/02/81/507290281.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591554162 507290287 /nfs/dbraw/zinc/29/02/87/507290287.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000601338732 507339297 /nfs/dbraw/zinc/33/92/97/507339297.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000601338732 507339303 /nfs/dbraw/zinc/33/93/03/507339303.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360889 507374646 /nfs/dbraw/zinc/37/46/46/507374646.db2.gz YLSNMCIZYFPDNO-LNYGYFNRSA-N 1 3 357.542 3.355 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360889 507374653 /nfs/dbraw/zinc/37/46/53/507374653.db2.gz YLSNMCIZYFPDNO-LNYGYFNRSA-N 1 3 357.542 3.355 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360891 507375073 /nfs/dbraw/zinc/37/50/73/507375073.db2.gz YLSNMCIZYFPDNO-YDTSGJJXSA-N 1 3 357.542 3.355 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360891 507375076 /nfs/dbraw/zinc/37/50/76/507375076.db2.gz YLSNMCIZYFPDNO-YDTSGJJXSA-N 1 3 357.542 3.355 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1C ZINC000595069614 507378052 /nfs/dbraw/zinc/37/80/52/507378052.db2.gz ZWGPAXUPHWHVKV-IOMROCGXSA-N 1 3 373.541 3.251 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000584588333 507428129 /nfs/dbraw/zinc/42/81/29/507428129.db2.gz BDBKXMXQOYAMNG-HLAWJBBLSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000584588333 507428133 /nfs/dbraw/zinc/42/81/33/507428133.db2.gz BDBKXMXQOYAMNG-HLAWJBBLSA-N 1 3 357.542 3.060 20 0 FGADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584782678 507502427 /nfs/dbraw/zinc/50/24/27/507502427.db2.gz TZJMCGBQXKREQP-UXHICEINSA-N 1 3 374.916 3.162 20 0 FGADHO CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465338 507717624 /nfs/dbraw/zinc/71/76/24/507717624.db2.gz PQQMGZAEKJMLLO-SFHVURJKSA-N 1 3 355.448 3.003 20 0 FGADHO CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465338 507717627 /nfs/dbraw/zinc/71/76/27/507717627.db2.gz PQQMGZAEKJMLLO-SFHVURJKSA-N 1 3 355.448 3.003 20 0 FGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248674239 713656424 /nfs/dbraw/zinc/65/64/24/713656424.db2.gz WSNGCTCCBWLHNR-FXAWDEMLSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193092 713781762 /nfs/dbraw/zinc/78/17/62/713781762.db2.gz SNXIUBKCEHKKCM-OOKSDGMUSA-N 1 3 351.535 3.237 20 0 FGADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000641817721 717932215 /nfs/dbraw/zinc/93/22/15/717932215.db2.gz LHGLGSSLCWNTJZ-UHFFFAOYSA-N 1 3 368.909 3.062 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462083 713982163 /nfs/dbraw/zinc/98/21/63/713982163.db2.gz BAXBERLKXYAXQN-KURKYZTESA-N 1 3 353.551 3.484 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080402 714169348 /nfs/dbraw/zinc/16/93/48/714169348.db2.gz CVEJKPCATUYZKV-MSOLQXFVSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000522080402 714169354 /nfs/dbraw/zinc/16/93/54/714169354.db2.gz CVEJKPCATUYZKV-MSOLQXFVSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1C ZINC000525758909 714376001 /nfs/dbraw/zinc/37/60/01/714376001.db2.gz SFFJLVZFJFJOJA-ZTFGCOKTSA-N 1 3 352.906 3.470 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)sc1Cl ZINC000617503997 714662712 /nfs/dbraw/zinc/66/27/12/714662712.db2.gz DSAYFSFLGPPWPP-JTQLQIEISA-N 1 3 352.331 3.057 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)sc1Cl ZINC000617503997 714662714 /nfs/dbraw/zinc/66/27/14/714662714.db2.gz DSAYFSFLGPPWPP-JTQLQIEISA-N 1 3 352.331 3.057 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000617504033 714662960 /nfs/dbraw/zinc/66/29/60/714662960.db2.gz FXGMLCXMDKQQJA-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000617504033 714662962 /nfs/dbraw/zinc/66/29/62/714662962.db2.gz FXGMLCXMDKQQJA-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626040508 715835351 /nfs/dbraw/zinc/83/53/51/715835351.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 1 3 367.331 3.082 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626040508 715835358 /nfs/dbraw/zinc/83/53/58/715835358.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 1 3 367.331 3.082 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000629515238 716302949 /nfs/dbraw/zinc/30/29/49/716302949.db2.gz NHESNVSQKXLQGE-VHSXEESVSA-N 1 3 351.235 3.132 20 0 FGADHO COc1ncncc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000647181643 718338426 /nfs/dbraw/zinc/33/84/26/718338426.db2.gz LJWASWRSNWISBC-UHFFFAOYSA-N 1 3 360.889 3.140 20 0 FGADHO CN1CCC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417878 718675582 /nfs/dbraw/zinc/67/55/82/718675582.db2.gz GBRIBWUUWJEVHF-KRWDZBQOSA-N 1 3 362.543 3.090 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC000650705609 718716833 /nfs/dbraw/zinc/71/68/33/718716833.db2.gz NSDQFDOPHYXUJQ-OIISXLGYSA-N 1 3 353.304 3.167 20 0 FGADHO Cc1cc(Br)ccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707343 718717251 /nfs/dbraw/zinc/71/72/51/718717251.db2.gz DATKHWKSXLSXLB-JQHSSLGASA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723166 718720567 /nfs/dbraw/zinc/72/05/67/718720567.db2.gz IETRBIBSCDKGNS-OLMNPRSZSA-N 1 3 358.511 3.066 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CCN ZINC000652354561 718936455 /nfs/dbraw/zinc/93/64/55/718936455.db2.gz BWFBYYMCPKPJGG-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CCN ZINC000652354561 718936456 /nfs/dbraw/zinc/93/64/56/718936456.db2.gz BWFBYYMCPKPJGG-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354561 718936457 /nfs/dbraw/zinc/93/64/57/718936457.db2.gz BWFBYYMCPKPJGG-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606439 719064256 /nfs/dbraw/zinc/06/42/56/719064256.db2.gz KLERSVVPBYDLDS-RBUKOAKNSA-N 1 3 354.922 3.100 20 0 FGADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606439 719064260 /nfs/dbraw/zinc/06/42/60/719064260.db2.gz KLERSVVPBYDLDS-RBUKOAKNSA-N 1 3 354.922 3.100 20 0 FGADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606440 719064790 /nfs/dbraw/zinc/06/47/90/719064790.db2.gz KLERSVVPBYDLDS-RTBURBONSA-N 1 3 354.922 3.100 20 0 FGADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606440 719064794 /nfs/dbraw/zinc/06/47/94/719064794.db2.gz KLERSVVPBYDLDS-RTBURBONSA-N 1 3 354.922 3.100 20 0 FGADHO CO[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719737 719329453 /nfs/dbraw/zinc/32/94/53/719329453.db2.gz LHBZOWIVUNNUMZ-MOPGFXCFSA-N 1 3 352.906 3.261 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657352814 719631419 /nfs/dbraw/zinc/63/14/19/719631419.db2.gz DAPMVUXIIRCFRM-UHFFFAOYSA-N 1 3 358.917 3.485 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338952 720032960 /nfs/dbraw/zinc/03/29/60/720032960.db2.gz NSTJUPUPRLRRHR-SJORKVTESA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338952 720032962 /nfs/dbraw/zinc/03/29/62/720032962.db2.gz NSTJUPUPRLRRHR-SJORKVTESA-N 1 3 366.575 3.303 20 0 FGADHO C[C@]1(C2CC2)CN(CCCCC[N@@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166443 720200985 /nfs/dbraw/zinc/20/09/85/720200985.db2.gz AUJLBGFDGYXUMQ-NHCUHLMSSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@]1(C2CC2)CN(CCCCC[N@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166443 720200990 /nfs/dbraw/zinc/20/09/90/720200990.db2.gz AUJLBGFDGYXUMQ-NHCUHLMSSA-N 1 3 350.547 3.159 20 0 FGADHO Brc1ccccc1[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258519 720405882 /nfs/dbraw/zinc/40/58/82/720405882.db2.gz JFULEXXAETWTPD-XJKSGUPXSA-N 1 3 351.288 3.107 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297890 720412024 /nfs/dbraw/zinc/41/20/24/720412024.db2.gz SSOYQDALPAZTEF-NVXWUHKLSA-N 1 3 363.933 3.229 20 0 FGADHO CSc1c(F)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000666665326 720959566 /nfs/dbraw/zinc/95/95/66/720959566.db2.gz ABGCOYPMKINAJJ-LBPRGKRZSA-N 1 3 374.501 3.080 20 0 FGADHO CSc1c(F)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000666665326 720959569 /nfs/dbraw/zinc/95/95/69/720959569.db2.gz ABGCOYPMKINAJJ-LBPRGKRZSA-N 1 3 374.501 3.080 20 0 FGADHO CCCOc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950728 721004924 /nfs/dbraw/zinc/00/49/24/721004924.db2.gz CTLYPMWBXPXHMU-MRXNPFEDSA-N 1 3 353.304 3.470 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995503 721010819 /nfs/dbraw/zinc/01/08/19/721010819.db2.gz PIHRXCLRPWKALL-WBVHZDCISA-N 1 3 363.933 3.341 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133761 721519063 /nfs/dbraw/zinc/51/90/63/721519063.db2.gz IURRZIGPFKMMQL-KURKYZTESA-N 1 3 366.937 3.115 20 0 FGADHO Cc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000673629937 721668486 /nfs/dbraw/zinc/66/84/86/721668486.db2.gz XZQQRZMWFBVYJA-KRWDZBQOSA-N 1 3 367.331 3.491 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000675175626 721735517 /nfs/dbraw/zinc/73/55/17/721735517.db2.gz HCSMUKLGBHXCAC-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000675178227 721735855 /nfs/dbraw/zinc/73/58/55/721735855.db2.gz VAKSPHHTOWTYQD-QZTJIDSGSA-N 1 3 366.575 3.305 20 0 FGADHO COc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Cl)c1 ZINC000677737596 721913445 /nfs/dbraw/zinc/91/34/45/721913445.db2.gz HLCXQXTWKLLSKX-UHFFFAOYSA-N 1 3 365.949 3.339 20 0 FGADHO C[C@H](N[C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773023 722047638 /nfs/dbraw/zinc/04/76/38/722047638.db2.gz QFBDQVJAHHKPPS-SUMWQHHRSA-N 1 3 355.320 3.193 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+]1CCCC1 ZINC000729348283 722459015 /nfs/dbraw/zinc/45/90/15/722459015.db2.gz WHPCRFPWCXOMPW-UHFFFAOYSA-N 1 3 365.949 3.496 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766272029 723565355 /nfs/dbraw/zinc/56/53/55/723565355.db2.gz JEBAUUHYZQVXJG-CVEARBPZSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766272029 723565357 /nfs/dbraw/zinc/56/53/57/723565357.db2.gz JEBAUUHYZQVXJG-CVEARBPZSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CCC[C@@H]1C ZINC000766272571 723565437 /nfs/dbraw/zinc/56/54/37/723565437.db2.gz YYFBSSBNJFCULU-HOTGVXAUSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CCC[C@@H]1C ZINC000766272571 723565438 /nfs/dbraw/zinc/56/54/38/723565438.db2.gz YYFBSSBNJFCULU-HOTGVXAUSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CCC[C@H]1C ZINC000766272573 723565691 /nfs/dbraw/zinc/56/56/91/723565691.db2.gz YYFBSSBNJFCULU-JKSUJKDBSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CCC[C@H]1C ZINC000766272573 723565692 /nfs/dbraw/zinc/56/56/92/723565692.db2.gz YYFBSSBNJFCULU-JKSUJKDBSA-N 1 3 351.922 3.151 20 0 FGADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1I ZINC000798933979 723976999 /nfs/dbraw/zinc/97/69/99/723976999.db2.gz ACULADDKWJGESS-GOOCMWNKSA-N 1 3 370.278 3.314 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157437 725118704 /nfs/dbraw/zinc/11/87/04/725118704.db2.gz FVOGJLGYFPLEBK-SJLPKXTDSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157437 725118706 /nfs/dbraw/zinc/11/87/06/725118706.db2.gz FVOGJLGYFPLEBK-SJLPKXTDSA-N 1 3 357.885 3.079 20 0 FGADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468190 725309477 /nfs/dbraw/zinc/30/94/77/725309477.db2.gz DKLPCLHTWJFYEZ-HXUWFJFHSA-N 1 3 353.526 3.112 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Br)cc1 ZINC000819277465 727363638 /nfs/dbraw/zinc/36/36/38/727363638.db2.gz CANWEJXWAYBZKT-OFLPRAFFSA-N 1 3 353.304 3.089 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000823677169 729297916 /nfs/dbraw/zinc/29/79/16/729297916.db2.gz RAYQFVDCAFMQOH-YWZLYKJASA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566634 729815094 /nfs/dbraw/zinc/81/50/94/729815094.db2.gz PTLVZAFTUVTONT-FGTMMUONSA-N 1 3 353.551 3.484 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccsc1 ZINC000841692091 730264905 /nfs/dbraw/zinc/26/49/05/730264905.db2.gz DHPKAYMHXHGYRJ-JCYILVPMSA-N 1 3 352.548 3.042 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000843488005 730624211 /nfs/dbraw/zinc/62/42/11/730624211.db2.gz YVCJZXPQQYKYDE-QGZVFWFLSA-N 1 3 366.937 3.012 20 0 FGADHO C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000849091048 731228097 /nfs/dbraw/zinc/22/80/97/731228097.db2.gz DTIFGYUBYMSLCT-ZIAGYGMSSA-N 1 3 356.436 3.440 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CNCC3CC[NH+](CC4CC4)CC3)cc12 ZINC000850419986 731355080 /nfs/dbraw/zinc/35/50/80/731355080.db2.gz JOSQDBVYASCFKH-UHFFFAOYSA-N 1 3 361.921 3.142 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490780 732220304 /nfs/dbraw/zinc/22/03/04/732220304.db2.gz OHNQKNNUDKJFGT-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436135 733201247 /nfs/dbraw/zinc/20/12/47/733201247.db2.gz UWKPLGWFYVZQEK-UONOGXRCSA-N 1 3 367.456 3.152 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436135 733201251 /nfs/dbraw/zinc/20/12/51/733201251.db2.gz UWKPLGWFYVZQEK-UONOGXRCSA-N 1 3 367.456 3.152 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCc2ccccc2Br)C1 ZINC000883435584 737566416 /nfs/dbraw/zinc/56/64/16/737566416.db2.gz WRRBBYRSPMFGCF-BPQIPLTHSA-N 1 3 367.331 3.352 20 0 FGADHO CCOC(=O)c1ncc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000892587564 740020132 /nfs/dbraw/zinc/02/01/32/740020132.db2.gz AJUOFLJQCUEISQ-GJZGRUSLSA-N 1 3 353.532 3.168 20 0 FGADHO CCn1c(CNCC2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000894000402 742225095 /nfs/dbraw/zinc/22/50/95/742225095.db2.gz ONBPHSPHTKCWRE-UHFFFAOYSA-N 1 3 365.319 3.250 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454901 742285863 /nfs/dbraw/zinc/28/58/63/742285863.db2.gz BRVMVSOVWWYBPD-QXSJWSMHSA-N 1 3 364.452 3.217 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000904390776 743951098 /nfs/dbraw/zinc/95/10/98/743951098.db2.gz CJAFPQCRVLLIMG-INIZCTEOSA-N 1 3 363.933 3.270 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391541 758911658 /nfs/dbraw/zinc/91/16/58/758911658.db2.gz WMVHFCCXJYGNJQ-MTNOOBJLSA-N 1 3 363.889 3.051 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391541 758911661 /nfs/dbraw/zinc/91/16/61/758911661.db2.gz WMVHFCCXJYGNJQ-MTNOOBJLSA-N 1 3 363.889 3.051 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391538 758911828 /nfs/dbraw/zinc/91/18/28/758911828.db2.gz WIYVYWQAORYLRH-XYVMCAHJSA-N 1 3 372.340 3.145 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391538 758911833 /nfs/dbraw/zinc/91/18/33/758911833.db2.gz WIYVYWQAORYLRH-XYVMCAHJSA-N 1 3 372.340 3.145 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448694 759119290 /nfs/dbraw/zinc/11/92/90/759119290.db2.gz GFNVJQLNFMHFGL-XJKSGUPXSA-N 1 3 353.304 3.340 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925531428 759501183 /nfs/dbraw/zinc/50/11/83/759501183.db2.gz ZEICNWRCYWBKGC-ZIAGYGMSSA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1Br ZINC000925776959 759534420 /nfs/dbraw/zinc/53/44/20/759534420.db2.gz BKXWVILMUYUJJC-ZYHUDNBSSA-N 1 3 363.246 3.353 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925786663 759539724 /nfs/dbraw/zinc/53/97/24/759539724.db2.gz XRSGIWGTNYGWBX-ZFWWWQNUSA-N 1 3 354.445 3.112 20 0 FGADHO CC[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855491 759560403 /nfs/dbraw/zinc/56/04/03/759560403.db2.gz KRHCZTPIJRYDDG-IUODEOHRSA-N 1 3 354.853 3.205 20 0 FGADHO CC(C)CCN1CCC([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000926802593 759824627 /nfs/dbraw/zinc/82/46/27/759824627.db2.gz UGYYHWMPLHCHIY-SAABIXHNSA-N 1 3 353.551 3.390 20 0 FGADHO CN1C[C@]2(C)C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000931305785 760823386 /nfs/dbraw/zinc/82/33/86/760823386.db2.gz DAMULVSSJOSUSK-XWIAVFTESA-N 1 3 373.324 3.007 20 0 FGADHO CN1C[C@]2(C)C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000931305785 760823399 /nfs/dbraw/zinc/82/33/99/760823399.db2.gz DAMULVSSJOSUSK-XWIAVFTESA-N 1 3 373.324 3.007 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000960639413 762736549 /nfs/dbraw/zinc/73/65/49/762736549.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000960639413 762736557 /nfs/dbraw/zinc/73/65/57/762736557.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)CC[N@@H+]1C ZINC000968867360 762843156 /nfs/dbraw/zinc/84/31/56/762843156.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 1 3 363.571 3.339 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)CC[N@H+]1C ZINC000968867360 762843161 /nfs/dbraw/zinc/84/31/61/762843161.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 1 3 363.571 3.339 20 0 FGADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000968864624 762843887 /nfs/dbraw/zinc/84/38/87/762843887.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 1 3 363.571 3.258 20 0 FGADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000968864624 762843894 /nfs/dbraw/zinc/84/38/94/762843894.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 1 3 363.571 3.258 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001018873928 765847063 /nfs/dbraw/zinc/84/70/63/765847063.db2.gz ZUNXIJGKFDLWMG-TXPKVOOTSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001018873928 765847072 /nfs/dbraw/zinc/84/70/72/765847072.db2.gz ZUNXIJGKFDLWMG-TXPKVOOTSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028552165 766125008 /nfs/dbraw/zinc/12/50/08/766125008.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028552165 766125010 /nfs/dbraw/zinc/12/50/10/766125010.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 1 3 363.933 3.008 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894274 210194762 /nfs/dbraw/zinc/19/47/62/210194762.db2.gz FWDOPMPJIZPLKO-BVAFDOMYSA-N 1 3 370.537 3.215 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000069102120 221321573 /nfs/dbraw/zinc/32/15/73/221321573.db2.gz JCGPISICZSPEQD-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000069102120 221321575 /nfs/dbraw/zinc/32/15/75/221321575.db2.gz JCGPISICZSPEQD-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1nsc(C)c1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579669323 505597985 /nfs/dbraw/zinc/59/79/85/505597985.db2.gz ZAWUKSYNSVSPTC-GASCZTMLSA-N 1 3 351.560 3.471 20 0 FGADHO Cc1nsc(C)c1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579669323 505597987 /nfs/dbraw/zinc/59/79/87/505597987.db2.gz ZAWUKSYNSVSPTC-GASCZTMLSA-N 1 3 351.560 3.471 20 0 FGADHO CC[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(CC)CC ZINC000573716061 505602633 /nfs/dbraw/zinc/60/26/33/505602633.db2.gz OCORFYIXGLRADH-FUHWJXTLSA-N 1 3 353.938 3.222 20 0 FGADHO C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576882969 505615972 /nfs/dbraw/zinc/61/59/72/505615972.db2.gz OSQUGVOWUYMOMD-WIYYLYMNSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H](NCCNC(=O)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882969 505615976 /nfs/dbraw/zinc/61/59/76/505615976.db2.gz OSQUGVOWUYMOMD-WIYYLYMNSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H](NCCNC(=O)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882969 505615980 /nfs/dbraw/zinc/61/59/80/505615980.db2.gz OSQUGVOWUYMOMD-WIYYLYMNSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897817 505618950 /nfs/dbraw/zinc/61/89/50/505618950.db2.gz OYCDXLZODSGBIW-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000576897817 505618952 /nfs/dbraw/zinc/61/89/52/505618952.db2.gz OYCDXLZODSGBIW-CQSZACIVSA-N 1 3 357.420 3.356 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000576897367 505619284 /nfs/dbraw/zinc/61/92/84/505619284.db2.gz ZIGJICNRBIUCMC-PXNSSMCTSA-N 1 3 360.546 3.017 20 0 FGADHO OCCCSCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000573987894 505667065 /nfs/dbraw/zinc/66/70/65/505667065.db2.gz JKAJDYUSQSXZFG-PCCBWWKXSA-N 1 3 362.583 3.382 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000057618012 493779444 /nfs/dbraw/zinc/77/94/44/493779444.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000057618012 493779446 /nfs/dbraw/zinc/77/94/46/493779446.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 1 3 372.557 3.338 20 0 FGADHO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000068411762 493814839 /nfs/dbraw/zinc/81/48/39/493814839.db2.gz TURMKSPFJWMOFT-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000068887157 493889537 /nfs/dbraw/zinc/88/95/37/493889537.db2.gz LPSSWWKOFRGIMM-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1COc2ccccc2O1 ZINC000568427421 505691833 /nfs/dbraw/zinc/69/18/33/505691833.db2.gz UUMVEMVBBVPROP-MISYRCLQSA-N 1 3 352.478 3.327 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1COc2ccccc2O1 ZINC000568427421 505691838 /nfs/dbraw/zinc/69/18/38/505691838.db2.gz UUMVEMVBBVPROP-MISYRCLQSA-N 1 3 352.478 3.327 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000061378971 493976057 /nfs/dbraw/zinc/97/60/57/493976057.db2.gz GGMCXDPFXWHKHV-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759451 493985203 /nfs/dbraw/zinc/98/52/03/493985203.db2.gz GNDZBCJVMCLLPM-NRFANRHFSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000062503946 494014752 /nfs/dbraw/zinc/01/47/52/494014752.db2.gz KXWDDRXROBVIPB-QUCCMNQESA-N 1 3 360.546 3.099 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084440687 494073195 /nfs/dbraw/zinc/07/31/95/494073195.db2.gz YUGPXXMMNDGGQA-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084440687 494073199 /nfs/dbraw/zinc/07/31/99/494073199.db2.gz YUGPXXMMNDGGQA-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000063917493 494098409 /nfs/dbraw/zinc/09/84/09/494098409.db2.gz FXJLOHOAGNWPQS-LJQANCHMSA-N 1 3 369.509 3.491 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077658092 494134073 /nfs/dbraw/zinc/13/40/73/494134073.db2.gz ISVDLOMXHFPLIY-GOSISDBHSA-N 1 3 357.542 3.450 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000568495062 505708941 /nfs/dbraw/zinc/70/89/41/505708941.db2.gz RHDKHRUXHQWCRA-DBXWQHBBSA-N 1 3 357.542 3.331 20 0 FGADHO CCCN1CCN(c2ccccc2CNC2CC[NH+](CCC)CC2)CC1 ZINC000088670590 494254948 /nfs/dbraw/zinc/25/49/48/494254948.db2.gz QJRNWLDTAQSXKV-UHFFFAOYSA-N 1 3 358.574 3.183 20 0 FGADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089393326 494299064 /nfs/dbraw/zinc/29/90/64/494299064.db2.gz RYVKJJLHCLHPIS-LJQANCHMSA-N 1 3 370.541 3.069 20 0 FGADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089393326 494299068 /nfs/dbraw/zinc/29/90/68/494299068.db2.gz RYVKJJLHCLHPIS-LJQANCHMSA-N 1 3 370.541 3.069 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000078559857 494320074 /nfs/dbraw/zinc/32/00/74/494320074.db2.gz VYBHFLTYMWVSKB-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO O=C(NCCC[NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(F)c1 ZINC000089585661 494326055 /nfs/dbraw/zinc/32/60/55/494326055.db2.gz KOHMUWFSWGQBNU-UHFFFAOYSA-N 1 3 361.505 3.332 20 0 FGADHO O=C(NCCCNC1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000089585661 494326056 /nfs/dbraw/zinc/32/60/56/494326056.db2.gz KOHMUWFSWGQBNU-UHFFFAOYSA-N 1 3 361.505 3.332 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121452 494406456 /nfs/dbraw/zinc/40/64/56/494406456.db2.gz JOPNZJAEQDGUAO-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121452 494406462 /nfs/dbraw/zinc/40/64/62/494406462.db2.gz JOPNZJAEQDGUAO-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000090028837 494431117 /nfs/dbraw/zinc/43/11/17/494431117.db2.gz OYLROXFIVFLJEA-INIZCTEOSA-N 1 3 357.523 3.425 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000090038540 494431599 /nfs/dbraw/zinc/43/15/99/494431599.db2.gz YEMIVOYQVBVQTF-LJQANCHMSA-N 1 3 369.534 3.305 20 0 FGADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(SC)cc1OC ZINC000574204389 505719658 /nfs/dbraw/zinc/71/96/58/505719658.db2.gz DJKJZUGUPUCUKR-OAHLLOKOSA-N 1 3 350.528 3.247 20 0 FGADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)N3CCCCCC3)c(C)c2)CC1 ZINC000074170164 494492755 /nfs/dbraw/zinc/49/27/55/494492755.db2.gz WSBUTGHTZINXSG-LJQANCHMSA-N 1 3 372.557 3.340 20 0 FGADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+]1CCCCC1 ZINC000074225709 494500999 /nfs/dbraw/zinc/50/09/99/494500999.db2.gz WBQKNIHEHWRNCX-INIZCTEOSA-N 1 3 357.498 3.346 20 0 FGADHO C[NH+](C)CCOc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937394 494504988 /nfs/dbraw/zinc/50/49/88/494504988.db2.gz ZEPLAYKXGWBZIK-TZIWHRDSSA-N 1 3 369.509 3.280 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000079710111 494512823 /nfs/dbraw/zinc/51/28/23/494512823.db2.gz RMZASWFNNBIZFW-SFHLNBCPSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000079710111 494512825 /nfs/dbraw/zinc/51/28/25/494512825.db2.gz RMZASWFNNBIZFW-SFHLNBCPSA-N 1 3 357.542 3.420 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107667878 494580688 /nfs/dbraw/zinc/58/06/88/494580688.db2.gz SGPOEQDIXVVCLX-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO CCOc1c(OC)cc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092381308 494611238 /nfs/dbraw/zinc/61/12/38/494611238.db2.gz ICHZXZJNCMWVOH-UHFFFAOYSA-N 1 3 350.503 3.266 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000067706472 494619367 /nfs/dbraw/zinc/61/93/67/494619367.db2.gz CASLFCHPHLGOQI-LJQANCHMSA-N 1 3 372.557 3.202 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258780 505733367 /nfs/dbraw/zinc/73/33/67/505733367.db2.gz NSQATZRXBWDBBU-CRAIPNDOSA-N 1 3 370.440 3.015 20 0 FGADHO C[C@H]1CN(C2CC[NH+](CC(C)(C)CN(C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782411 /nfs/dbraw/zinc/78/24/11/494782411.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 1 3 373.585 3.330 20 0 FGADHO C[C@H]1CN(C2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782415 /nfs/dbraw/zinc/78/24/15/494782415.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 1 3 373.585 3.330 20 0 FGADHO C[C@H]1CN(C2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782420 /nfs/dbraw/zinc/78/24/20/494782420.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 1 3 373.585 3.330 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000116440423 494786139 /nfs/dbraw/zinc/78/61/39/494786139.db2.gz BDSVLOKLNDCRIP-HXUWFJFHSA-N 1 3 374.573 3.270 20 0 FGADHO COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121610853 494820075 /nfs/dbraw/zinc/82/00/75/494820075.db2.gz OSINVMAYTWJQML-NRFANRHFSA-N 1 3 373.541 3.022 20 0 FGADHO COc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1OCc1cccnc1 ZINC000093089143 494824641 /nfs/dbraw/zinc/82/46/41/494824641.db2.gz MYDDHLQZOSHFNZ-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO COc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1OCc1cccnc1 ZINC000093089143 494824643 /nfs/dbraw/zinc/82/46/43/494824643.db2.gz MYDDHLQZOSHFNZ-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121755713 494853456 /nfs/dbraw/zinc/85/34/56/494853456.db2.gz ZJBJCYGUORNZHQ-XEVCZEQESA-N 1 3 364.578 3.203 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093742260 494916505 /nfs/dbraw/zinc/91/65/05/494916505.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 1 3 372.601 3.381 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093742260 494916509 /nfs/dbraw/zinc/91/65/09/494916509.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 1 3 372.601 3.381 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H]1Cc2ccccc2O1)C1CCN(C)CC1 ZINC000132858619 494934489 /nfs/dbraw/zinc/93/44/89/494934489.db2.gz VJTDWJQOFBRKNI-OAQYLSRUSA-N 1 3 365.521 3.310 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000122174649 494936000 /nfs/dbraw/zinc/93/60/00/494936000.db2.gz WGKXIWIQZDCDGS-UHFFFAOYSA-N 1 3 361.530 3.215 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000122174649 494936004 /nfs/dbraw/zinc/93/60/04/494936004.db2.gz WGKXIWIQZDCDGS-UHFFFAOYSA-N 1 3 361.530 3.215 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754943 /nfs/dbraw/zinc/75/49/43/505754943.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754947 /nfs/dbraw/zinc/75/49/47/505754947.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1cccc(NCCNCc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000133500289 495021345 /nfs/dbraw/zinc/02/13/45/495021345.db2.gz UUIDXCBBGSCECS-UHFFFAOYSA-N 1 3 367.541 3.122 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786032 495034999 /nfs/dbraw/zinc/03/49/99/495034999.db2.gz JSKTZOCYPQCMTP-UHFFFAOYSA-N 1 3 355.482 3.195 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000577601436 505761639 /nfs/dbraw/zinc/76/16/39/505761639.db2.gz IYBGCRYQTHGJTN-IRLDBZIGSA-N 1 3 369.553 3.060 20 0 FGADHO Cc1ccccc1[C@H](C(C)C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357680 495179854 /nfs/dbraw/zinc/17/98/54/495179854.db2.gz LDOBAPZQHSEVRO-QFIPXVFZSA-N 1 3 357.542 3.367 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000129002213 495180953 /nfs/dbraw/zinc/18/09/53/495180953.db2.gz ZFVQHNVNEKRDDY-GOSISDBHSA-N 1 3 361.530 3.070 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129002213 495180956 /nfs/dbraw/zinc/18/09/56/495180956.db2.gz ZFVQHNVNEKRDDY-GOSISDBHSA-N 1 3 361.530 3.070 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000129063178 495190700 /nfs/dbraw/zinc/19/07/00/495190700.db2.gz JJVCRLMYDHBLJJ-BQFCYCMXSA-N 1 3 358.530 3.040 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000119738054 495230281 /nfs/dbraw/zinc/23/02/81/495230281.db2.gz BYZZVWYBQXGATI-UHFFFAOYSA-N 1 3 371.550 3.452 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000113625707 495322741 /nfs/dbraw/zinc/32/27/41/495322741.db2.gz DNCMLHCSBZQQKD-KRWDZBQOSA-N 1 3 360.546 3.288 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129986807 495323897 /nfs/dbraw/zinc/32/38/97/495323897.db2.gz WGRDKPUHTYKHRA-IRXDYDNUSA-N 1 3 371.447 3.189 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)C[NH+](C)C ZINC000120422824 495373929 /nfs/dbraw/zinc/37/39/29/495373929.db2.gz RSRLTMVMJSBNCM-CYBMUJFWSA-N 1 3 370.335 3.344 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000114959271 495447064 /nfs/dbraw/zinc/44/70/64/495447064.db2.gz SJOMXXHUIWLERP-OAQYLSRUSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000114959271 495447067 /nfs/dbraw/zinc/44/70/67/495447067.db2.gz SJOMXXHUIWLERP-OAQYLSRUSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000114959270 495447130 /nfs/dbraw/zinc/44/71/30/495447130.db2.gz SJOMXXHUIWLERP-NRFANRHFSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000114959270 495447132 /nfs/dbraw/zinc/44/71/32/495447132.db2.gz SJOMXXHUIWLERP-NRFANRHFSA-N 1 3 374.573 3.189 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC(F)F)cc1 ZINC000154313168 495577704 /nfs/dbraw/zinc/57/77/04/495577704.db2.gz CCVMAXNNXATUMJ-SFHVURJKSA-N 1 3 355.473 3.356 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000173557484 495586202 /nfs/dbraw/zinc/58/62/02/495586202.db2.gz VULMOYJEQOFEDH-XLIONFOSSA-N 1 3 360.546 3.153 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000158828537 495596699 /nfs/dbraw/zinc/59/66/99/495596699.db2.gz YXICMSRAEDNDKC-LQWHRVPQSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000158828537 495596704 /nfs/dbraw/zinc/59/67/04/495596704.db2.gz YXICMSRAEDNDKC-LQWHRVPQSA-N 1 3 371.529 3.055 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000154437938 495616340 /nfs/dbraw/zinc/61/63/40/495616340.db2.gz QJXQNEKDLGINMC-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154495471 495634882 /nfs/dbraw/zinc/63/48/82/495634882.db2.gz XSNROTCBVZPCGP-LJQANCHMSA-N 1 3 369.557 3.249 20 0 FGADHO CCCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000154564239 495655315 /nfs/dbraw/zinc/65/53/15/495655315.db2.gz HHEIFMPBSHOUAR-SFHVURJKSA-N 1 3 351.922 3.186 20 0 FGADHO CCCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000154564356 495655703 /nfs/dbraw/zinc/65/57/03/495655703.db2.gz HHEIFMPBSHOUAR-GOSISDBHSA-N 1 3 351.922 3.186 20 0 FGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000182692811 495665703 /nfs/dbraw/zinc/66/57/03/495665703.db2.gz QYRKOCNJEVURAK-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776374 495699419 /nfs/dbraw/zinc/69/94/19/495699419.db2.gz KLQCQOSZMOGIHO-KXBFYZLASA-N 1 3 371.529 3.103 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275602 495700245 /nfs/dbraw/zinc/70/02/45/495700245.db2.gz AYJSEKQGHAEWIU-IBGZPJMESA-N 1 3 357.542 3.137 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823533 495708359 /nfs/dbraw/zinc/70/83/59/495708359.db2.gz IVMUIYNJFYANIB-NJAFHUGGSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823533 495708362 /nfs/dbraw/zinc/70/83/62/495708362.db2.gz IVMUIYNJFYANIB-NJAFHUGGSA-N 1 3 366.575 3.255 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898494 495748299 /nfs/dbraw/zinc/74/82/99/495748299.db2.gz SMGDDNOCEPQUEO-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898494 495748303 /nfs/dbraw/zinc/74/83/03/495748303.db2.gz SMGDDNOCEPQUEO-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000171251636 495789441 /nfs/dbraw/zinc/78/94/41/495789441.db2.gz DESWCSMRNKIGFZ-QRVBRYPASA-N 1 3 357.542 3.071 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569599 505805013 /nfs/dbraw/zinc/80/50/13/505805013.db2.gz WCZGGSCVYHGKIN-OAQYLSRUSA-N 1 3 368.525 3.101 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453626 495965733 /nfs/dbraw/zinc/96/57/33/495965733.db2.gz ZHWAWQLSNMQIHH-NRSPTQNISA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453626 495965739 /nfs/dbraw/zinc/96/57/39/495965739.db2.gz ZHWAWQLSNMQIHH-NRSPTQNISA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171656397 495975518 /nfs/dbraw/zinc/97/55/18/495975518.db2.gz KRCZBDGVILJOII-KRWDZBQOSA-N 1 3 353.510 3.291 20 0 FGADHO CN(C[C@H](O)c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257582 495997222 /nfs/dbraw/zinc/99/72/22/495997222.db2.gz PHRDGCZQRRVZPG-NRFANRHFSA-N 1 3 373.928 3.407 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584422 496003858 /nfs/dbraw/zinc/00/38/58/496003858.db2.gz YVZONMXUCGNYPA-KBPBESRZSA-N 1 3 372.326 3.265 20 0 FGADHO CC[C@H](C)[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000155730823 496049593 /nfs/dbraw/zinc/04/95/93/496049593.db2.gz OUMYHHQJOBGZSH-RXVVDRJESA-N 1 3 359.558 3.211 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccnc3ccccc32)CC1 ZINC000174682742 496060155 /nfs/dbraw/zinc/06/01/55/496060155.db2.gz XIWYRJWUBGICFD-UHFFFAOYSA-N 1 3 368.525 3.299 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177655877 496148846 /nfs/dbraw/zinc/14/88/46/496148846.db2.gz DCSIRPUEZQWTRA-OAQYLSRUSA-N 1 3 369.553 3.206 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177655877 496148849 /nfs/dbraw/zinc/14/88/49/496148849.db2.gz DCSIRPUEZQWTRA-OAQYLSRUSA-N 1 3 369.553 3.206 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180829657 496162350 /nfs/dbraw/zinc/16/23/50/496162350.db2.gz URPBMKPNDKOLID-UKRRQHHQSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180829657 496162353 /nfs/dbraw/zinc/16/23/53/496162353.db2.gz URPBMKPNDKOLID-UKRRQHHQSA-N 1 3 368.319 3.158 20 0 FGADHO CN(CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152491016 496166451 /nfs/dbraw/zinc/16/64/51/496166451.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152491016 496166456 /nfs/dbraw/zinc/16/64/56/496166456.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000172199753 496205717 /nfs/dbraw/zinc/20/57/17/496205717.db2.gz VKNRJGUOKFWSGT-OAQYLSRUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000175011630 496205597 /nfs/dbraw/zinc/20/55/97/496205597.db2.gz AXPLSDPLZIVPIS-LVCYWYKZSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000175011630 496205602 /nfs/dbraw/zinc/20/56/02/496205602.db2.gz AXPLSDPLZIVPIS-LVCYWYKZSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175011630 496205605 /nfs/dbraw/zinc/20/56/05/496205605.db2.gz AXPLSDPLZIVPIS-LVCYWYKZSA-N 1 3 372.557 3.336 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CC3CCN(C)CC3)CC2)CC1 ZINC000152733442 496239505 /nfs/dbraw/zinc/23/95/05/496239505.db2.gz HSCYNOQKHZWTMA-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000172306303 496246939 /nfs/dbraw/zinc/24/69/39/496246939.db2.gz WCURSDHOCSAAPR-UHFFFAOYSA-N 1 3 374.573 3.189 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@H]3CCCN(C)C3)CC2)CC1 ZINC000152767020 496249861 /nfs/dbraw/zinc/24/98/61/496249861.db2.gz YTUKFUSILALYTP-HDYDNRTBSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000177931551 496256344 /nfs/dbraw/zinc/25/63/44/496256344.db2.gz VYWNZFXLIZKXRK-UHFFFAOYSA-N 1 3 353.510 3.249 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000172458553 496304347 /nfs/dbraw/zinc/30/43/47/496304347.db2.gz KDERBIOYGTZRDA-UHFFFAOYSA-N 1 3 362.518 3.015 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178087983 496324216 /nfs/dbraw/zinc/32/42/16/496324216.db2.gz NWDORADZXZNPHO-HXUWFJFHSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178087983 496324222 /nfs/dbraw/zinc/32/42/22/496324222.db2.gz NWDORADZXZNPHO-HXUWFJFHSA-N 1 3 369.553 3.422 20 0 FGADHO COCCC1(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000187196641 496334669 /nfs/dbraw/zinc/33/46/69/496334669.db2.gz IJLATQYJCCRVFT-FQEVSTJZSA-N 1 3 351.579 3.075 20 0 FGADHO COCCC1(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000187196641 496334676 /nfs/dbraw/zinc/33/46/76/496334676.db2.gz IJLATQYJCCRVFT-FQEVSTJZSA-N 1 3 351.579 3.075 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000175327870 496341064 /nfs/dbraw/zinc/34/10/64/496341064.db2.gz LTUUREQTPBJLGY-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412864 496349248 /nfs/dbraw/zinc/34/92/48/496349248.db2.gz KTHBUGKUGPGILF-CTNGQTDRSA-N 1 3 374.573 3.299 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000162437527 496352947 /nfs/dbraw/zinc/35/29/47/496352947.db2.gz WMRXDHRTMZLXHJ-GHTZIAJQSA-N 1 3 357.542 3.244 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2)CC1 ZINC000181376050 496371688 /nfs/dbraw/zinc/37/16/88/496371688.db2.gz DHRMCRHMTIPRFQ-IBGZPJMESA-N 1 3 365.521 3.426 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000172717815 496400560 /nfs/dbraw/zinc/40/05/60/496400560.db2.gz UHHBTEONPXGFIZ-UHFFFAOYSA-N 1 3 365.949 3.351 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000187474435 496457072 /nfs/dbraw/zinc/45/70/72/496457072.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 1 3 374.573 3.125 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000187474435 496457077 /nfs/dbraw/zinc/45/70/77/496457077.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 1 3 374.573 3.125 20 0 FGADHO CCCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163346931 496503205 /nfs/dbraw/zinc/50/32/05/496503205.db2.gz QFTFSKOZRYQWSD-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443828 496516777 /nfs/dbraw/zinc/51/67/77/496516777.db2.gz JRGOQBLNVJOWMW-FQEVSTJZSA-N 1 3 357.542 3.279 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691751 496530159 /nfs/dbraw/zinc/53/01/59/496530159.db2.gz FDNOSUTYAGOLHU-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691751 496530163 /nfs/dbraw/zinc/53/01/63/496530163.db2.gz FDNOSUTYAGOLHU-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H](N)c1ccccc1 ZINC000178670581 496535568 /nfs/dbraw/zinc/53/55/68/496535568.db2.gz IOIVRKYFQHQPTR-UTKZUKDTSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN1CCCC1 ZINC000165266541 496653422 /nfs/dbraw/zinc/65/34/22/496653422.db2.gz ONQALEPZSWFUJP-MRXNPFEDSA-N 1 3 363.933 3.266 20 0 FGADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969486 496674471 /nfs/dbraw/zinc/67/44/71/496674471.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969486 496674477 /nfs/dbraw/zinc/67/44/77/496674477.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 1 3 357.542 3.439 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415027 496682626 /nfs/dbraw/zinc/68/26/26/496682626.db2.gz YMWQKXTWOBPHPP-IRXDYDNUSA-N 1 3 364.559 3.011 20 0 FGADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182258569 496721447 /nfs/dbraw/zinc/72/14/47/496721447.db2.gz GKMHBVQJGOYVIM-PWRODBHTSA-N 1 3 360.542 3.183 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156669 496794098 /nfs/dbraw/zinc/79/40/98/496794098.db2.gz TYJXLLRORKNTAO-IAGOWNOFSA-N 1 3 352.544 3.253 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156669 496794102 /nfs/dbraw/zinc/79/41/02/496794102.db2.gz TYJXLLRORKNTAO-IAGOWNOFSA-N 1 3 352.544 3.253 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000247221904 496809876 /nfs/dbraw/zinc/80/98/76/496809876.db2.gz XQCIYXCDLQCFBG-NJCLPOECSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000247221904 496809878 /nfs/dbraw/zinc/80/98/78/496809878.db2.gz XQCIYXCDLQCFBG-NJCLPOECSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000247221904 496809882 /nfs/dbraw/zinc/80/98/82/496809882.db2.gz XQCIYXCDLQCFBG-NJCLPOECSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000268996086 496844390 /nfs/dbraw/zinc/84/43/90/496844390.db2.gz NSMQOCYVUHORML-ZDUSSCGKSA-N 1 3 362.461 3.448 20 0 FGADHO CN(c1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCN(C)CC1 ZINC000268996294 496844963 /nfs/dbraw/zinc/84/49/63/496844963.db2.gz XSALJAXRLJSYMO-LJQANCHMSA-N 1 3 357.542 3.408 20 0 FGADHO CC(C)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195341629 496895123 /nfs/dbraw/zinc/89/51/23/496895123.db2.gz ZDCPIIOBEJPADF-UHFFFAOYSA-N 1 3 358.530 3.490 20 0 FGADHO CC(C)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195342821 496896484 /nfs/dbraw/zinc/89/64/84/496896484.db2.gz OEWUCFPLGKFYQD-UHFFFAOYSA-N 1 3 358.530 3.490 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H](N)c1ccccc1 ZINC000269308783 496916226 /nfs/dbraw/zinc/91/62/26/496916226.db2.gz VPHVIFUWSDJPDI-DYESRHJHSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@@H](N)c1ccccc1 ZINC000269308783 496916231 /nfs/dbraw/zinc/91/62/31/496916231.db2.gz VPHVIFUWSDJPDI-DYESRHJHSA-N 1 3 366.509 3.103 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964223 496933443 /nfs/dbraw/zinc/93/34/43/496933443.db2.gz DKMMZSRHXKSLRP-WOJBJXKFSA-N 1 3 358.530 3.043 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000247971875 496936231 /nfs/dbraw/zinc/93/62/31/496936231.db2.gz HLKXAPGJDJLYKI-PMPSAXMXSA-N 1 3 353.457 3.187 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000247971875 496936234 /nfs/dbraw/zinc/93/62/34/496936234.db2.gz HLKXAPGJDJLYKI-PMPSAXMXSA-N 1 3 353.457 3.187 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)cs1 ZINC000248127641 496958509 /nfs/dbraw/zinc/95/85/09/496958509.db2.gz OCICMPDKYJMKIE-GPMSIDNRSA-N 1 3 364.603 3.236 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248403324 496998961 /nfs/dbraw/zinc/99/89/61/496998961.db2.gz OMNAKIGIJQXZPK-ACESQOTJSA-N 1 3 372.553 3.320 20 0 FGADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248420620 497005051 /nfs/dbraw/zinc/00/50/51/497005051.db2.gz XGOGOFZBQIGTSY-XYEHWOGUSA-N 1 3 352.526 3.328 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000270272423 497091106 /nfs/dbraw/zinc/09/11/06/497091106.db2.gz UATBVEMVXNRODN-JOCHJYFZSA-N 1 3 369.553 3.089 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826262 497111427 /nfs/dbraw/zinc/11/14/27/497111427.db2.gz LYOYPMLDEKPKHI-VQIMIIECSA-N 1 3 372.557 3.115 20 0 FGADHO CC(C)(C[NH3+])C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000236606287 497120509 /nfs/dbraw/zinc/12/05/09/497120509.db2.gz KRNXMOTZSGZRON-UHFFFAOYSA-N 1 3 353.510 3.180 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236653023 497127542 /nfs/dbraw/zinc/12/75/42/497127542.db2.gz MWHZQDNLASRFDM-YADHBBJMSA-N 1 3 365.521 3.318 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236674273 497130784 /nfs/dbraw/zinc/13/07/84/497130784.db2.gz YDBKTVYSVCZGAI-RLLQIKCJSA-N 1 3 357.542 3.093 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000236801987 497147716 /nfs/dbraw/zinc/14/77/16/497147716.db2.gz LOYGTDUZIJUKSU-VXKWHMMOSA-N 1 3 359.558 3.249 20 0 FGADHO COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCCC2)cc1 ZINC000192598855 497160408 /nfs/dbraw/zinc/16/04/08/497160408.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCCC2)cc1 ZINC000192598855 497160413 /nfs/dbraw/zinc/16/04/13/497160413.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCCCC2)cc1 ZINC000192598855 497160417 /nfs/dbraw/zinc/16/04/17/497160417.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 1 3 357.542 3.437 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)C[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000236877894 497161446 /nfs/dbraw/zinc/16/14/46/497161446.db2.gz GNXHXUCNGVTTCG-SFTDATJTSA-N 1 3 353.510 3.146 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)Cc1ccccc1 ZINC000249281769 497185578 /nfs/dbraw/zinc/18/55/78/497185578.db2.gz KZKULHUHFXWAGW-JFSTXAPLSA-N 1 3 352.522 3.336 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)Cc1ccccc1 ZINC000249281769 497185583 /nfs/dbraw/zinc/18/55/83/497185583.db2.gz KZKULHUHFXWAGW-JFSTXAPLSA-N 1 3 352.522 3.336 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887393 497191467 /nfs/dbraw/zinc/19/14/67/497191467.db2.gz ITEXHGAKQHNKQE-HFSMHLIXSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887393 497191474 /nfs/dbraw/zinc/19/14/74/497191474.db2.gz ITEXHGAKQHNKQE-HFSMHLIXSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274887393 497191478 /nfs/dbraw/zinc/19/14/78/497191478.db2.gz ITEXHGAKQHNKQE-HFSMHLIXSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237411951 497233539 /nfs/dbraw/zinc/23/35/39/497233539.db2.gz XRQNXYHFOUZVRI-GHTZIAJQSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237411951 497233543 /nfs/dbraw/zinc/23/35/43/497233543.db2.gz XRQNXYHFOUZVRI-GHTZIAJQSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237469422 497241494 /nfs/dbraw/zinc/24/14/94/497241494.db2.gz RVTPSSBTLGXKGN-DLBZAZTESA-N 1 3 363.571 3.102 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000237473233 497242293 /nfs/dbraw/zinc/24/22/93/497242293.db2.gz WDAHXUXCTGIKTC-CABCVRRESA-N 1 3 367.921 3.245 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301852 /nfs/dbraw/zinc/30/18/52/497301852.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 1 3 354.922 3.024 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301856 /nfs/dbraw/zinc/30/18/56/497301856.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 1 3 354.922 3.024 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237939719 497317410 /nfs/dbraw/zinc/31/74/10/497317410.db2.gz PTWZJMKVEQKGBD-SFTDATJTSA-N 1 3 351.494 3.420 20 0 FGADHO Oc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237965324 497320026 /nfs/dbraw/zinc/32/00/26/497320026.db2.gz SUEDBRICFYCPNU-UHFFFAOYSA-N 1 3 353.510 3.080 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1 ZINC000569297979 505899472 /nfs/dbraw/zinc/89/94/72/505899472.db2.gz MJXOLKHCCQRNLE-UHFFFAOYSA-N 1 3 363.571 3.086 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000275570298 497366923 /nfs/dbraw/zinc/36/69/23/497366923.db2.gz CJEQWRYDZVCXED-UHFFFAOYSA-N 1 3 358.530 3.273 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000193407139 497372897 /nfs/dbraw/zinc/37/28/97/497372897.db2.gz DIVUQOSKHGTEJF-IBGZPJMESA-N 1 3 359.539 3.031 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904506 /nfs/dbraw/zinc/90/45/06/505904506.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 1 3 371.569 3.474 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904510 /nfs/dbraw/zinc/90/45/10/505904510.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 1 3 371.569 3.474 20 0 FGADHO C[C@@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261608299 497418854 /nfs/dbraw/zinc/41/88/54/497418854.db2.gz RUXOTQHUUKJONV-ICSRJNTNSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758320 497445659 /nfs/dbraw/zinc/44/56/59/497445659.db2.gz FQUKMYIFAUHTDG-UYAOXDASSA-N 1 3 357.542 3.064 20 0 FGADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007660 497491328 /nfs/dbraw/zinc/49/13/28/497491328.db2.gz SBOBLAGCZPRFLC-OAQYLSRUSA-N 1 3 373.541 3.070 20 0 FGADHO COCCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245681728 497499962 /nfs/dbraw/zinc/49/99/62/497499962.db2.gz JADJUNCHMAJPTJ-NUNAXRQHSA-N 1 3 371.569 3.273 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000267313315 497524182 /nfs/dbraw/zinc/52/41/82/497524182.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000267313315 497524187 /nfs/dbraw/zinc/52/41/87/497524187.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000262219358 497526044 /nfs/dbraw/zinc/52/60/44/497526044.db2.gz ZNKVJGPEDPEMLN-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000262219358 497526050 /nfs/dbraw/zinc/52/60/50/497526050.db2.gz ZNKVJGPEDPEMLN-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974383 497537248 /nfs/dbraw/zinc/53/72/48/497537248.db2.gz QYKUXPURLVUXOS-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000194030178 497552488 /nfs/dbraw/zinc/55/24/88/497552488.db2.gz RLWMDTLXLGEELY-BHIFYINESA-N 1 3 370.537 3.081 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126893 505915610 /nfs/dbraw/zinc/91/56/10/505915610.db2.gz FICFYIWAAPHXKR-JRGCBEDISA-N 1 3 354.494 3.166 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126893 505915612 /nfs/dbraw/zinc/91/56/12/505915612.db2.gz FICFYIWAAPHXKR-JRGCBEDISA-N 1 3 354.494 3.166 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262631502 497587084 /nfs/dbraw/zinc/58/70/84/497587084.db2.gz FLCPAVBBKZZZER-ZMWHVPEISA-N 1 3 355.526 3.076 20 0 FGADHO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@H](N)c1ccccc1 ZINC000262644801 497589478 /nfs/dbraw/zinc/58/94/78/497589478.db2.gz NEKRLOBZYJXFNF-IERDGZPVSA-N 1 3 366.509 3.467 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(CC)CC)cc1 ZINC000572223217 505917686 /nfs/dbraw/zinc/91/76/86/505917686.db2.gz IOGBCBGPCPNKME-FPOVZHCZSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000572223217 505917688 /nfs/dbraw/zinc/91/76/88/505917688.db2.gz IOGBCBGPCPNKME-FPOVZHCZSA-N 1 3 374.573 3.273 20 0 FGADHO C[C@@H](CC[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccccc1 ZINC000194367138 497644978 /nfs/dbraw/zinc/64/49/78/497644978.db2.gz VQQABOKOXWBWPR-SFHVURJKSA-N 1 3 353.510 3.261 20 0 FGADHO Cc1ccc([C@H](NCCCC[NH+](C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272522220 497650585 /nfs/dbraw/zinc/65/05/85/497650585.db2.gz YJFLRZOXEATOIE-NRFANRHFSA-N 1 3 374.550 3.419 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194436213 497667020 /nfs/dbraw/zinc/66/70/20/497667020.db2.gz IHJHGEZGMZHOSH-HXUWFJFHSA-N 1 3 372.557 3.120 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000276979259 497706177 /nfs/dbraw/zinc/70/61/77/497706177.db2.gz YZMJPLWHCCUQKN-CZUORRHYSA-N 1 3 359.495 3.169 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000276979259 497706185 /nfs/dbraw/zinc/70/61/85/497706185.db2.gz YZMJPLWHCCUQKN-CZUORRHYSA-N 1 3 359.495 3.169 20 0 FGADHO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272704253 497708054 /nfs/dbraw/zinc/70/80/54/497708054.db2.gz ZVHVAFRUBWKGRW-GCJKJVERSA-N 1 3 365.521 3.437 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725323 /nfs/dbraw/zinc/72/53/23/497725323.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725326 /nfs/dbraw/zinc/72/53/26/497725326.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246438660 497734433 /nfs/dbraw/zinc/73/44/33/497734433.db2.gz NSGDMPJWBDHUGM-PMACEKPBSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246438660 497734439 /nfs/dbraw/zinc/73/44/39/497734439.db2.gz NSGDMPJWBDHUGM-PMACEKPBSA-N 1 3 364.578 3.158 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262183 497743996 /nfs/dbraw/zinc/74/39/96/497743996.db2.gz RCEQPADPNANEHG-SBHAEUEKSA-N 1 3 361.530 3.102 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000246514653 497759401 /nfs/dbraw/zinc/75/94/01/497759401.db2.gz XEMWTYFLWUBNHA-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000246514653 497759403 /nfs/dbraw/zinc/75/94/03/497759403.db2.gz XEMWTYFLWUBNHA-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540653 497767569 /nfs/dbraw/zinc/76/75/69/497767569.db2.gz QDZDBYYKBYQCGA-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540653 497767573 /nfs/dbraw/zinc/76/75/73/497767573.db2.gz QDZDBYYKBYQCGA-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581269 497781549 /nfs/dbraw/zinc/78/15/49/497781549.db2.gz UCMAJBYDBPSIPQ-SESVDKBCSA-N 1 3 372.557 3.165 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246586033 497782594 /nfs/dbraw/zinc/78/25/94/497782594.db2.gz ZYSHLCVPDLNINK-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246586033 497782596 /nfs/dbraw/zinc/78/25/96/497782596.db2.gz ZYSHLCVPDLNINK-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246840131 497815568 /nfs/dbraw/zinc/81/55/68/497815568.db2.gz BQKWBNHHQPMSSM-QXAKKESOSA-N 1 3 360.546 3.288 20 0 FGADHO [NH3+]C1(CNCc2cnc(C3CC3)s2)CCN(Cc2ccccc2)CC1 ZINC000569573034 505968311 /nfs/dbraw/zinc/96/83/11/505968311.db2.gz OXYJREKSIPURMK-UHFFFAOYSA-N 1 3 356.539 3.104 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487755 498063072 /nfs/dbraw/zinc/06/30/72/498063072.db2.gz PKSQSEMZLGSIRZ-IEBWSBKVSA-N 1 3 371.912 3.469 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487755 498063076 /nfs/dbraw/zinc/06/30/76/498063076.db2.gz PKSQSEMZLGSIRZ-IEBWSBKVSA-N 1 3 371.912 3.469 20 0 FGADHO C[C@H]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247763 498076924 /nfs/dbraw/zinc/07/69/24/498076924.db2.gz NFXKASMPJOTDRS-KKSFZXQISA-N 1 3 351.494 3.316 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572464971 505975138 /nfs/dbraw/zinc/97/51/38/505975138.db2.gz VUPILOQFXCPOGK-HZPDHXFCSA-N 1 3 358.530 3.210 20 0 FGADHO COCCOCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262384 498083125 /nfs/dbraw/zinc/08/31/25/498083125.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 1 3 358.526 3.298 20 0 FGADHO COCCOCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262384 498083133 /nfs/dbraw/zinc/08/31/33/498083133.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 1 3 358.526 3.298 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419209 505984442 /nfs/dbraw/zinc/98/44/42/505984442.db2.gz NTGHGVPRCCNGSH-IDPBPBMLSA-N 1 3 372.557 3.182 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419209 505984444 /nfs/dbraw/zinc/98/44/44/505984444.db2.gz NTGHGVPRCCNGSH-IDPBPBMLSA-N 1 3 372.557 3.182 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633190 505985641 /nfs/dbraw/zinc/98/56/41/505985641.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633190 505985644 /nfs/dbraw/zinc/98/56/44/505985644.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281753482 498257796 /nfs/dbraw/zinc/25/77/96/498257796.db2.gz WAEKZFKSHXMFAI-WIYYLYMNSA-N 1 3 370.468 3.178 20 0 FGADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000281753482 498257803 /nfs/dbraw/zinc/25/78/03/498257803.db2.gz WAEKZFKSHXMFAI-WIYYLYMNSA-N 1 3 370.468 3.178 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000289835678 498315390 /nfs/dbraw/zinc/31/53/90/498315390.db2.gz PCBNCDUOUHQQFN-UHFFFAOYSA-N 1 3 369.509 3.247 20 0 FGADHO C(CN1CCCCC1)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365182293 498339220 /nfs/dbraw/zinc/33/92/20/498339220.db2.gz YJNDPPGVLPVLDT-WIYYLYMNSA-N 1 3 358.530 3.252 20 0 FGADHO C(CN1CCCCC1)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365182293 498339227 /nfs/dbraw/zinc/33/92/27/498339227.db2.gz YJNDPPGVLPVLDT-WIYYLYMNSA-N 1 3 358.530 3.252 20 0 FGADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000289984599 498381668 /nfs/dbraw/zinc/38/16/68/498381668.db2.gz YATSNUPKWJSSTL-ILWGZMRPSA-N 1 3 369.553 3.134 20 0 FGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000293774341 498484959 /nfs/dbraw/zinc/48/49/59/498484959.db2.gz SLXUTILJEIBMFY-OAHLLOKOSA-N 1 3 356.507 3.146 20 0 FGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282482399 498529962 /nfs/dbraw/zinc/52/99/62/498529962.db2.gz WXQXDOXALVWMPG-CVEARBPZSA-N 1 3 360.571 3.404 20 0 FGADHO COc1ccc(CN2CCC(CNC(=[NH2+])N3CCC(C)CC3)CC2)cc1 ZINC000303254822 498657830 /nfs/dbraw/zinc/65/78/30/498657830.db2.gz FFKROUSGEOHOIQ-UHFFFAOYSA-N 1 3 358.530 3.163 20 0 FGADHO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(OCCN(C)C)c1 ZINC000287199758 498669880 /nfs/dbraw/zinc/66/98/80/498669880.db2.gz GEPWMGQKBMMDMF-QZTJIDSGSA-N 1 3 374.529 3.026 20 0 FGADHO Cn1cc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)s2)cn1 ZINC000282827173 498670876 /nfs/dbraw/zinc/67/08/76/498670876.db2.gz QALQEPQEEONHAQ-UHFFFAOYSA-N 1 3 374.554 3.225 20 0 FGADHO Cc1cc([C@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000282889362 498696846 /nfs/dbraw/zinc/69/68/46/498696846.db2.gz WDXPLUQCXBTHAH-SFHVURJKSA-N 1 3 356.514 3.096 20 0 FGADHO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298227940 498702331 /nfs/dbraw/zinc/70/23/31/498702331.db2.gz AZWMNHWDUSWNTQ-NRFANRHFSA-N 1 3 355.482 3.161 20 0 FGADHO COc1ccccc1N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298317611 498731089 /nfs/dbraw/zinc/73/10/89/498731089.db2.gz IDORXSBAGLHJHA-UHFFFAOYSA-N 1 3 366.509 3.318 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000298528236 498802592 /nfs/dbraw/zinc/80/25/92/498802592.db2.gz RZNNQDSTEAUWHC-INIZCTEOSA-N 1 3 366.465 3.358 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581931425 506093293 /nfs/dbraw/zinc/09/32/93/506093293.db2.gz WEJFJNSEUAKLRZ-PXNSSMCTSA-N 1 3 374.529 3.285 20 0 FGADHO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CCC2 ZINC000363754343 498976443 /nfs/dbraw/zinc/97/64/43/498976443.db2.gz BNTIMAJVLJUHHD-PKOBYXMFSA-N 1 3 356.514 3.360 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CCN([C@@H]4CCC[C@@H](C)C4)CC3)O2)n1 ZINC000333528720 499024701 /nfs/dbraw/zinc/02/47/01/499024701.db2.gz XRVUAJIDMVSBQS-AXUOBQJMSA-N 1 3 362.518 3.231 20 0 FGADHO Cc1ccccc1[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000299482589 499072338 /nfs/dbraw/zinc/07/23/38/499072338.db2.gz GAYJULMNDFGFGL-GOSISDBHSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127698 499152136 /nfs/dbraw/zinc/15/21/36/499152136.db2.gz VCLPBKVCUMXWRD-QCFAMHMHSA-N 1 3 364.574 3.187 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127698 499152137 /nfs/dbraw/zinc/15/21/37/499152137.db2.gz VCLPBKVCUMXWRD-QCFAMHMHSA-N 1 3 364.574 3.187 20 0 FGADHO COCCCn1nccc1C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000367233219 499165538 /nfs/dbraw/zinc/16/55/38/499165538.db2.gz XDOFZPITCDWXOS-UHFFFAOYSA-N 1 3 374.504 3.061 20 0 FGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592828 499215991 /nfs/dbraw/zinc/21/59/91/499215991.db2.gz GWDGOQHNUYKWSF-TZIWHRDSSA-N 1 3 370.541 3.273 20 0 FGADHO Cc1nnc(N2CCC([NH2+][C@H](C)[C@@H]3CCCN(C4CCC4)C3)CC2)s1 ZINC000367832126 499236909 /nfs/dbraw/zinc/23/69/09/499236909.db2.gz PFHHLFYCZYNQFA-GDBMZVCRSA-N 1 3 363.575 3.058 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247492 499277874 /nfs/dbraw/zinc/27/78/74/499277874.db2.gz ZXYQSBKGIRVFAE-MBDNFAEBSA-N 1 3 365.606 3.054 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247492 499277876 /nfs/dbraw/zinc/27/78/76/499277876.db2.gz ZXYQSBKGIRVFAE-MBDNFAEBSA-N 1 3 365.606 3.054 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230377 499300306 /nfs/dbraw/zinc/30/03/06/499300306.db2.gz LVEMRSIVDKPLSR-MAUKXSAKSA-N 1 3 355.482 3.099 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316552 499309432 /nfs/dbraw/zinc/30/94/32/499309432.db2.gz GMJXQVUDOOEPIT-MFWIUYSUSA-N 1 3 350.478 3.374 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316552 499309433 /nfs/dbraw/zinc/30/94/33/499309433.db2.gz GMJXQVUDOOEPIT-MFWIUYSUSA-N 1 3 350.478 3.374 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000371803236 499367082 /nfs/dbraw/zinc/36/70/82/499367082.db2.gz OOFBURDBIRBLCP-UHFFFAOYSA-N 1 3 359.558 3.085 20 0 FGADHO CN1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927501 499380633 /nfs/dbraw/zinc/38/06/33/499380633.db2.gz PYISKMXZWJQZAQ-IFMALSPDSA-N 1 3 350.510 3.464 20 0 FGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000378212624 499490528 /nfs/dbraw/zinc/49/05/28/499490528.db2.gz VXMCNPSEEJHCBX-GOSISDBHSA-N 1 3 372.538 3.041 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CCN(C)CC1 ZINC000375217649 499496367 /nfs/dbraw/zinc/49/63/67/499496367.db2.gz ILNIFHZJYMFFKQ-KLAILNCOSA-N 1 3 361.496 3.455 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CCN(C)CC1 ZINC000375217649 499496369 /nfs/dbraw/zinc/49/63/69/499496369.db2.gz ILNIFHZJYMFFKQ-KLAILNCOSA-N 1 3 361.496 3.455 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000378415474 499514155 /nfs/dbraw/zinc/51/41/55/499514155.db2.gz GWGRQIKJTMDBNV-FPOVZHCZSA-N 1 3 370.541 3.021 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000378415474 499514157 /nfs/dbraw/zinc/51/41/57/499514157.db2.gz GWGRQIKJTMDBNV-FPOVZHCZSA-N 1 3 370.541 3.021 20 0 FGADHO Clc1ccc(OCCN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000386992391 499549656 /nfs/dbraw/zinc/54/96/56/499549656.db2.gz CNGAKBINZGGIGL-BETUJISGSA-N 1 3 373.722 3.413 20 0 FGADHO OC1(C[NH2+]Cc2ccc3ncccc3c2)CCN(Cc2ccccc2)CC1 ZINC000397580496 499564308 /nfs/dbraw/zinc/56/43/08/499564308.db2.gz DVCVNGQFOVOGIT-UHFFFAOYSA-N 1 3 361.489 3.352 20 0 FGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397525378 499564330 /nfs/dbraw/zinc/56/43/30/499564330.db2.gz WJZPBEPEFCAIRZ-SFHVURJKSA-N 1 3 356.485 3.373 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000397614878 499564625 /nfs/dbraw/zinc/56/46/25/499564625.db2.gz GOIUSWTUTHENID-NHCUHLMSSA-N 1 3 372.553 3.341 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005780 499565764 /nfs/dbraw/zinc/56/57/64/499565764.db2.gz QFCUZXPTFDEJTG-STZQEDGTSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062415 499566392 /nfs/dbraw/zinc/56/63/92/499566392.db2.gz MUBRXCRTUPZJKK-AZUAARDMSA-N 1 3 357.542 3.313 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000573266835 506157612 /nfs/dbraw/zinc/15/76/12/506157612.db2.gz QIRVABPCEZVUSS-GHDARCQNSA-N 1 3 370.468 3.436 20 0 FGADHO O=C(NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)C1CC1 ZINC000411170516 499706164 /nfs/dbraw/zinc/70/61/64/499706164.db2.gz XKRJWFKLTHCXCN-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279720 499721113 /nfs/dbraw/zinc/72/11/13/499721113.db2.gz CJCWWZSDTCJGMO-YADHBBJMSA-N 1 3 372.553 3.424 20 0 FGADHO CN(CCc1cncs1)[C@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411398384 499734391 /nfs/dbraw/zinc/73/43/91/499734391.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 1 3 350.557 3.171 20 0 FGADHO CN(CCc1cncs1)[C@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411398384 499734393 /nfs/dbraw/zinc/73/43/93/499734393.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 1 3 350.557 3.171 20 0 FGADHO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561804 499763254 /nfs/dbraw/zinc/76/32/54/499763254.db2.gz RNAQQPVIHMLLDL-LEWJYISDSA-N 1 3 374.525 3.215 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414199807 499767958 /nfs/dbraw/zinc/76/79/58/499767958.db2.gz RLEQLFSENOIBMS-FCHUYYIVSA-N 1 3 371.569 3.099 20 0 FGADHO Cc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CCC2)cc1 ZINC000414199791 499768156 /nfs/dbraw/zinc/76/81/56/499768156.db2.gz RJVRMGPPZJCUBO-QFIPXVFZSA-N 1 3 371.569 3.222 20 0 FGADHO Cc1cc(C)cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414553735 499807703 /nfs/dbraw/zinc/80/77/03/499807703.db2.gz JRFZEDWBRBJWHZ-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695840 499820915 /nfs/dbraw/zinc/82/09/15/499820915.db2.gz FPFFZUIVQHEECG-HXUWFJFHSA-N 1 3 369.484 3.025 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695840 499820916 /nfs/dbraw/zinc/82/09/16/499820916.db2.gz FPFFZUIVQHEECG-HXUWFJFHSA-N 1 3 369.484 3.025 20 0 FGADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)c(Cl)c1 ZINC000414709148 499821954 /nfs/dbraw/zinc/82/19/54/499821954.db2.gz ORSGGXCBUOMMPG-GFCCVEGCSA-N 1 3 358.313 3.015 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737967 499825210 /nfs/dbraw/zinc/82/52/10/499825210.db2.gz OREXHOWDKIAFLB-KBPBESRZSA-N 1 3 368.319 3.016 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000412117719 499824992 /nfs/dbraw/zinc/82/49/92/499824992.db2.gz DRRDJEGYKTZCBU-HXUWFJFHSA-N 1 3 355.526 3.230 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414798438 499832559 /nfs/dbraw/zinc/83/25/59/499832559.db2.gz JBSYKVSIQNSVIA-IOASZLSFSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414798438 499832561 /nfs/dbraw/zinc/83/25/61/499832561.db2.gz JBSYKVSIQNSVIA-IOASZLSFSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CCCNCc2cccnc2)CCN1Cc1ccccc1 ZINC000414882916 499840986 /nfs/dbraw/zinc/84/09/86/499840986.db2.gz SNTZURXPEWJGKC-DENIHFKCSA-N 1 3 352.526 3.204 20 0 FGADHO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000412306388 499843260 /nfs/dbraw/zinc/84/32/60/499843260.db2.gz KQARGEMGVQXWTB-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO COC[C@@]1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCN1 ZINC000414952855 499848382 /nfs/dbraw/zinc/84/83/82/499848382.db2.gz ISKYRPCBDPAYTE-NRFANRHFSA-N 1 3 360.448 3.455 20 0 FGADHO COc1ccc(OCc2nc(CNC[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414993759 499852543 /nfs/dbraw/zinc/85/25/43/499852543.db2.gz CNTAVCYWZLVANQ-HUUCEWRRSA-N 1 3 361.511 3.338 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415012683 499854923 /nfs/dbraw/zinc/85/49/23/499854923.db2.gz UAJGLTOSSKNFTR-LEWJYISDSA-N 1 3 367.493 3.147 20 0 FGADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1Cl ZINC000415132677 499868561 /nfs/dbraw/zinc/86/85/61/499868561.db2.gz LLMGKCXYPLQSEI-UHFFFAOYSA-N 1 3 373.928 3.432 20 0 FGADHO CSc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415136770 499869346 /nfs/dbraw/zinc/86/93/46/499869346.db2.gz RXWHFALIQYVWCV-UHFFFAOYSA-N 1 3 355.551 3.492 20 0 FGADHO Cc1cc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000415245152 499880756 /nfs/dbraw/zinc/88/07/56/499880756.db2.gz AILJJSRZGVYZKJ-AWEZNQCLSA-N 1 3 356.474 3.122 20 0 FGADHO Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCC(C)C(C[NH3+])C1 ZINC000415465743 499894958 /nfs/dbraw/zinc/89/49/58/499894958.db2.gz QDKHWEBKWMZPHB-MLGOLLRUSA-N 1 3 369.469 3.371 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C ZINC000415945215 499931685 /nfs/dbraw/zinc/93/16/85/499931685.db2.gz KPTFYLUGISJMOH-JXFKEZNVSA-N 1 3 370.497 3.145 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944964 499931781 /nfs/dbraw/zinc/93/17/81/499931781.db2.gz KEDGRMQVJFNNSQ-UHFFFAOYSA-N 1 3 362.518 3.144 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000415947123 499932139 /nfs/dbraw/zinc/93/21/39/499932139.db2.gz VYEKVRCVRDOGJM-UHFFFAOYSA-N 1 3 366.509 3.366 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415952434 499932836 /nfs/dbraw/zinc/93/28/36/499932836.db2.gz DKEKIEIXBZNGBU-FQEVSTJZSA-N 1 3 370.497 3.229 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415960966 499933930 /nfs/dbraw/zinc/93/39/30/499933930.db2.gz QYFFHXQAVRFANX-KRWDZBQOSA-N 1 3 352.482 3.131 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)cc1 ZINC000416021076 499941680 /nfs/dbraw/zinc/94/16/80/499941680.db2.gz YJNALMGDNNOYNV-NRFANRHFSA-N 1 3 366.509 3.438 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417027760 499951451 /nfs/dbraw/zinc/95/14/51/499951451.db2.gz MBKOVXRVRNIWLD-FQEVSTJZSA-N 1 3 360.546 3.060 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000417066822 499962327 /nfs/dbraw/zinc/96/23/27/499962327.db2.gz MBKZVVNSRAXJSF-OAQYLSRUSA-N 1 3 368.525 3.371 20 0 FGADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417212998 500006426 /nfs/dbraw/zinc/00/64/26/500006426.db2.gz IMTQHDQZNLTSHN-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293180 500030752 /nfs/dbraw/zinc/03/07/52/500030752.db2.gz DZUJYBGIZOXTQZ-XJKCOSOUSA-N 1 3 374.451 3.123 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000421382510 500033642 /nfs/dbraw/zinc/03/36/42/500033642.db2.gz XVOXXRWLJNDADO-UHFFFAOYSA-N 1 3 371.569 3.392 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000421382510 500033644 /nfs/dbraw/zinc/03/36/44/500033644.db2.gz XVOXXRWLJNDADO-UHFFFAOYSA-N 1 3 371.569 3.392 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000421382510 500033647 /nfs/dbraw/zinc/03/36/47/500033647.db2.gz XVOXXRWLJNDADO-UHFFFAOYSA-N 1 3 371.569 3.392 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000417315275 500037435 /nfs/dbraw/zinc/03/74/35/500037435.db2.gz SAFYZMDGQYRASZ-NHCUHLMSSA-N 1 3 368.525 3.377 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416492 500074218 /nfs/dbraw/zinc/07/42/18/500074218.db2.gz DBDUHJYDWJJWEF-YLJYHZDGSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CCN(c3cccnn3)CC2)CC1 ZINC000429416492 500074224 /nfs/dbraw/zinc/07/42/24/500074224.db2.gz DBDUHJYDWJJWEF-YLJYHZDGSA-N 1 3 357.546 3.078 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564624 500104616 /nfs/dbraw/zinc/10/46/16/500104616.db2.gz FNOHXQFKGIVHNO-LAUBAEHRSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000416791200 500121550 /nfs/dbraw/zinc/12/15/50/500121550.db2.gz WAALPXYIBXOSIA-LAUBAEHRSA-N 1 3 366.509 3.343 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000416847234 500136668 /nfs/dbraw/zinc/13/66/68/500136668.db2.gz VBADFAVWCWBVKP-IAGOWNOFSA-N 1 3 364.559 3.092 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000414101270 500153590 /nfs/dbraw/zinc/15/35/90/500153590.db2.gz BQSWKWACLHKKOX-XUVXKRRUSA-N 1 3 360.542 3.325 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104456 500154239 /nfs/dbraw/zinc/15/42/39/500154239.db2.gz FVXCVJRGMUYHKC-PXNSSMCTSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104456 500154244 /nfs/dbraw/zinc/15/42/44/500154244.db2.gz FVXCVJRGMUYHKC-PXNSSMCTSA-N 1 3 354.494 3.421 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000576529678 506179508 /nfs/dbraw/zinc/17/95/08/506179508.db2.gz PYQXMLYAULEFIP-BMFZPTHFSA-N 1 3 352.320 3.135 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000582297288 506180215 /nfs/dbraw/zinc/18/02/15/506180215.db2.gz ZQONTFBMQYLEFP-CRAIPNDOSA-N 1 3 358.448 3.463 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000416969671 500169946 /nfs/dbraw/zinc/16/99/46/500169946.db2.gz KXAHHIAZXASVOL-HXUWFJFHSA-N 1 3 354.498 3.026 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000416969671 500169949 /nfs/dbraw/zinc/16/99/49/500169949.db2.gz KXAHHIAZXASVOL-HXUWFJFHSA-N 1 3 354.498 3.026 20 0 FGADHO CN(C)C(=O)c1ccccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000417816699 500177775 /nfs/dbraw/zinc/17/77/75/500177775.db2.gz TZYGEOHPJBLEFJ-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000417021724 500185808 /nfs/dbraw/zinc/18/58/08/500185808.db2.gz KBAQFFLBYFZFSC-UTKZUKDTSA-N 1 3 366.509 3.343 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000430076234 500189223 /nfs/dbraw/zinc/18/92/23/500189223.db2.gz MDWBYOHVSFCIEJ-UHFFFAOYSA-N 1 3 355.570 3.415 20 0 FGADHO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)o1 ZINC000430150923 500200669 /nfs/dbraw/zinc/20/06/69/500200669.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 1 3 354.450 3.261 20 0 FGADHO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)o1 ZINC000430150923 500200672 /nfs/dbraw/zinc/20/06/72/500200672.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 1 3 354.450 3.261 20 0 FGADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000430245453 500214237 /nfs/dbraw/zinc/21/42/37/500214237.db2.gz PBGNINKBAJUGBF-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO C[NH+]1CCC(C)(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000430245454 500214445 /nfs/dbraw/zinc/21/44/45/500214445.db2.gz PBGNINKBAJUGBF-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCC([NH+](C)C)CC1)N(C)C ZINC000422210964 500234803 /nfs/dbraw/zinc/23/48/03/500234803.db2.gz VXKLHGAVQZLMQH-NNZWXOEDSA-N 1 3 360.546 3.158 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150817 500237458 /nfs/dbraw/zinc/23/74/58/500237458.db2.gz DKDSQTBDGMDLHR-PMACEKPBSA-N 1 3 372.557 3.104 20 0 FGADHO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418175988 500242602 /nfs/dbraw/zinc/24/26/02/500242602.db2.gz GNDRHSKTYGPAAA-XLIONFOSSA-N 1 3 360.546 3.228 20 0 FGADHO CN(C)C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000422261948 500243257 /nfs/dbraw/zinc/24/32/57/500243257.db2.gz NZAZBSCQPNQFNI-ABHNRTSZSA-N 1 3 366.937 3.115 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185257 500244806 /nfs/dbraw/zinc/24/48/06/500244806.db2.gz QWTOEIQTTBQELV-QGPMSJSTSA-N 1 3 366.937 3.102 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(CC)CC)cc1 ZINC000418214903 500250254 /nfs/dbraw/zinc/25/02/54/500250254.db2.gz MIVHRRCMSQTLJH-UTKZUKDTSA-N 1 3 374.573 3.401 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418216223 500250651 /nfs/dbraw/zinc/25/06/51/500250651.db2.gz NXVMDBIYMGLERU-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542536 500251449 /nfs/dbraw/zinc/25/14/49/500251449.db2.gz KTVCZTYDTAPSKC-CABCVRRESA-N 1 3 351.922 3.227 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418229260 500253243 /nfs/dbraw/zinc/25/32/43/500253243.db2.gz GONHFGFABQHDKQ-MSOLQXFVSA-N 1 3 366.575 3.026 20 0 FGADHO [NH3+]CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430616465 500262309 /nfs/dbraw/zinc/26/23/09/500262309.db2.gz FNRGQMHWEZNMEG-KRWDZBQOSA-N 1 3 370.324 3.328 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000418354369 500267726 /nfs/dbraw/zinc/26/77/26/500267726.db2.gz OJEXOULQWFLONP-VQTJNVASSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000418354369 500267728 /nfs/dbraw/zinc/26/77/28/500267728.db2.gz OJEXOULQWFLONP-VQTJNVASSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000418363390 500268828 /nfs/dbraw/zinc/26/88/28/500268828.db2.gz VSGGGGJMJYUJEH-OAQYLSRUSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418410860 500273254 /nfs/dbraw/zinc/27/32/54/500273254.db2.gz DEPJDSMEDJMGRV-IBGZPJMESA-N 1 3 372.557 3.056 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1)CC1CC1 ZINC000418423095 500274302 /nfs/dbraw/zinc/27/43/02/500274302.db2.gz FDEFCZLOWLJLBG-OAQYLSRUSA-N 1 3 372.557 3.230 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1)CC1CC1 ZINC000418423095 500274306 /nfs/dbraw/zinc/27/43/06/500274306.db2.gz FDEFCZLOWLJLBG-OAQYLSRUSA-N 1 3 372.557 3.230 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418421841 500274318 /nfs/dbraw/zinc/27/43/18/500274318.db2.gz CZSNNSASSXJJRF-IBGZPJMESA-N 1 3 374.554 3.302 20 0 FGADHO NC1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCCC1 ZINC000430728144 500275982 /nfs/dbraw/zinc/27/59/82/500275982.db2.gz JXQSHNUISVFPHN-UHFFFAOYSA-N 1 3 372.513 3.101 20 0 FGADHO CC1(C)CN(C(=O)NCCCC[NH3+])[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418530483 500287560 /nfs/dbraw/zinc/28/75/60/500287560.db2.gz QZWNJWPUHOLCNQ-HXUWFJFHSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422717394 500289246 /nfs/dbraw/zinc/28/92/46/500289246.db2.gz VPXLPTNGEQWKNT-AZUAARDMSA-N 1 3 361.599 3.286 20 0 FGADHO C[C@H](COc1cccc(F)c1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740689 500292206 /nfs/dbraw/zinc/29/22/06/500292206.db2.gz OCVUZEFHBJEYFV-QFIXIFRTSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738278 500292226 /nfs/dbraw/zinc/29/22/26/500292226.db2.gz YJOSGTIIHFVKGL-JLSDUUJJSA-N 1 3 355.448 3.257 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N1CCCC1 ZINC000422749489 500293815 /nfs/dbraw/zinc/29/38/15/500293815.db2.gz ZKKWPSCLECKRGN-QIJUGHKUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCC1 ZINC000422749489 500293816 /nfs/dbraw/zinc/29/38/16/500293816.db2.gz ZKKWPSCLECKRGN-QIJUGHKUSA-N 1 3 367.537 3.380 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422775792 500296794 /nfs/dbraw/zinc/29/67/94/500296794.db2.gz CIISKZDZXRWRBD-JTQLQIEISA-N 1 3 354.285 3.313 20 0 FGADHO CCc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797875 500299197 /nfs/dbraw/zinc/29/91/97/500299197.db2.gz OWCIISZWSLKUKQ-HRAATJIYSA-N 1 3 374.550 3.459 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422801438 500299635 /nfs/dbraw/zinc/29/96/35/500299635.db2.gz BXOCIZOHCNIGJN-YTFSRNRJSA-N 1 3 370.585 3.017 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422808080 500300517 /nfs/dbraw/zinc/30/05/17/500300517.db2.gz ABJAEXFVHKRDJT-AWEZNQCLSA-N 1 3 355.482 3.248 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000426663937 500303807 /nfs/dbraw/zinc/30/38/07/500303807.db2.gz OJTCCMIKNOWTRV-UNMCSNQZSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000426663937 500303809 /nfs/dbraw/zinc/30/38/09/500303809.db2.gz OJTCCMIKNOWTRV-UNMCSNQZSA-N 1 3 357.542 3.087 20 0 FGADHO CC1CCC(N2CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)CC1 ZINC000418676644 500306052 /nfs/dbraw/zinc/30/60/52/500306052.db2.gz QXXHMYRAKBMWSC-MNLRITNHSA-N 1 3 372.557 3.373 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422871125 500308000 /nfs/dbraw/zinc/30/80/00/500308000.db2.gz ZVFVZKDEXRFVPD-CZUORRHYSA-N 1 3 353.388 3.071 20 0 FGADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885241 500310886 /nfs/dbraw/zinc/31/08/86/500310886.db2.gz GOHBUSBNDFSGSE-YTQUADARSA-N 1 3 362.514 3.155 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885427 500310894 /nfs/dbraw/zinc/31/08/94/500310894.db2.gz YPAPWUFRCIROPE-YOEHRIQHSA-N 1 3 367.331 3.214 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2oc3ccc(F)cc3c2C)CC[NH2+]CC1 ZINC000422899145 500312791 /nfs/dbraw/zinc/31/27/91/500312791.db2.gz GUZKKCPALOEMBO-CQSZACIVSA-N 1 3 362.445 3.291 20 0 FGADHO COc1ccc(OCCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900644 500313780 /nfs/dbraw/zinc/31/37/80/500313780.db2.gz QVBIXDRGDGLCEH-IRLDBZIGSA-N 1 3 368.477 3.310 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905333 500314514 /nfs/dbraw/zinc/31/45/14/500314514.db2.gz HVLBOFRABVMDAJ-JOCLIGHLSA-N 1 3 365.949 3.036 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905333 500314517 /nfs/dbraw/zinc/31/45/17/500314517.db2.gz HVLBOFRABVMDAJ-JOCLIGHLSA-N 1 3 365.949 3.036 20 0 FGADHO CN(C)CCOc1cccc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913001 500315336 /nfs/dbraw/zinc/31/53/36/500315336.db2.gz OUARJIPISMJGQQ-IFMALSPDSA-N 1 3 367.493 3.295 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422956345 500323451 /nfs/dbraw/zinc/32/34/51/500323451.db2.gz PMBWGWXDWAXFQN-ZFWWWQNUSA-N 1 3 368.319 3.193 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422956345 500323453 /nfs/dbraw/zinc/32/34/53/500323453.db2.gz PMBWGWXDWAXFQN-ZFWWWQNUSA-N 1 3 368.319 3.193 20 0 FGADHO COCC[C@H](Cc1ccco1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035518 500333817 /nfs/dbraw/zinc/33/38/17/500333817.db2.gz RRKJQOIZOMNAOZ-BSIFCXSSSA-N 1 3 356.466 3.073 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423035481 500333924 /nfs/dbraw/zinc/33/39/24/500333924.db2.gz RNAXUCCYECTSDZ-GDBMZVCRSA-N 1 3 355.320 3.497 20 0 FGADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000423045509 500334472 /nfs/dbraw/zinc/33/44/72/500334472.db2.gz SKMIPZFXKLUXTG-ZEPSKSRBSA-N 1 3 356.297 3.206 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423044380 500334514 /nfs/dbraw/zinc/33/45/14/500334514.db2.gz AKWANZXEGIECGO-GOEBONIOSA-N 1 3 359.436 3.466 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046054 500335169 /nfs/dbraw/zinc/33/51/69/500335169.db2.gz CZIZSIDFJOWYKL-CVEARBPZSA-N 1 3 359.283 3.383 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC3 ZINC000423050268 500335633 /nfs/dbraw/zinc/33/56/33/500335633.db2.gz YTDBINWWKPADKG-JHGBEIFQSA-N 1 3 353.510 3.080 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC3 ZINC000423050267 500335717 /nfs/dbraw/zinc/33/57/17/500335717.db2.gz YTDBINWWKPADKG-HCBXPFHNSA-N 1 3 353.510 3.080 20 0 FGADHO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000431103788 500336624 /nfs/dbraw/zinc/33/66/24/500336624.db2.gz RFFFYAMWTXCOMV-IMRXEORRSA-N 1 3 369.553 3.324 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423063277 500337423 /nfs/dbraw/zinc/33/74/23/500337423.db2.gz ONLOFOFCJRHQDQ-TZYHBYERSA-N 1 3 351.538 3.445 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)c2)n1 ZINC000423072733 500338462 /nfs/dbraw/zinc/33/84/62/500338462.db2.gz JSAGGRIUAZWLCK-CZUORRHYSA-N 1 3 359.495 3.074 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)c2)n1 ZINC000423072731 500338529 /nfs/dbraw/zinc/33/85/29/500338529.db2.gz JSAGGRIUAZWLCK-BBRMVZONSA-N 1 3 359.495 3.074 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102804 500342561 /nfs/dbraw/zinc/34/25/61/500342561.db2.gz KOIHDYYGKPXVOT-YNEHKIRRSA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(Br)s2)CCC1 ZINC000423102804 500342558 /nfs/dbraw/zinc/34/25/58/500342558.db2.gz KOIHDYYGKPXVOT-YNEHKIRRSA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(Br)s2)CCC1 ZINC000423102803 500342642 /nfs/dbraw/zinc/34/26/42/500342642.db2.gz KOIHDYYGKPXVOT-XQQFMLRXSA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102803 500342644 /nfs/dbraw/zinc/34/26/44/500342644.db2.gz KOIHDYYGKPXVOT-XQQFMLRXSA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423110777 500344097 /nfs/dbraw/zinc/34/40/97/500344097.db2.gz VVQJWASTPUOALA-OXJNMPFZSA-N 1 3 373.928 3.225 20 0 FGADHO CC(C)c1nnc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123458 500345418 /nfs/dbraw/zinc/34/54/18/500345418.db2.gz DRVRTXRJNPLISH-HNAYVOBHSA-N 1 3 358.511 3.050 20 0 FGADHO Cc1cccc2c1OC[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131649 500346452 /nfs/dbraw/zinc/34/64/52/500346452.db2.gz BGTHVUWXBUGYTF-JUXOCIIHSA-N 1 3 350.462 3.144 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000423149326 500348497 /nfs/dbraw/zinc/34/84/97/500348497.db2.gz HHIKFBPOPMIAIB-IAGOWNOFSA-N 1 3 350.503 3.285 20 0 FGADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423176386 500351863 /nfs/dbraw/zinc/35/18/63/500351863.db2.gz BZKIRKYKDHRXQN-ZDUSSCGKSA-N 1 3 366.303 3.141 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCNCc2cccnc2)C3)cc1 ZINC000423182794 500352818 /nfs/dbraw/zinc/35/28/18/500352818.db2.gz FNCBLEJJEVCHTO-NUNAXRQHSA-N 1 3 364.537 3.347 20 0 FGADHO CC(C)c1ccc([C@H]([NH3+])CNC2CCN(Cc3ccccn3)CC2)cc1 ZINC000423248688 500358744 /nfs/dbraw/zinc/35/87/44/500358744.db2.gz RYNGMIZLJFFKHG-JOCHJYFZSA-N 1 3 352.526 3.459 20 0 FGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264080 500360221 /nfs/dbraw/zinc/36/02/21/500360221.db2.gz XZXZRIHROPGVBP-STQMWFEESA-N 1 3 358.267 3.332 20 0 FGADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293387 500361840 /nfs/dbraw/zinc/36/18/40/500361840.db2.gz RETMEJBPMNJLMW-JXFKEZNVSA-N 1 3 369.509 3.414 20 0 FGADHO Cc1ccc([C@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423340527 500365194 /nfs/dbraw/zinc/36/51/94/500365194.db2.gz XIPDXPPZBFAPNL-HXUWFJFHSA-N 1 3 360.523 3.125 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423450922 500375411 /nfs/dbraw/zinc/37/54/11/500375411.db2.gz HWHUFZMFNDEISR-LSKLOWJMSA-N 1 3 370.324 3.291 20 0 FGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccc1I ZINC000423465944 500376699 /nfs/dbraw/zinc/37/66/99/500376699.db2.gz AENZIDUNTUBPKC-CHWSQXEVSA-N 1 3 358.267 3.474 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000423476227 500377508 /nfs/dbraw/zinc/37/75/08/500377508.db2.gz QXODQAJTSUILJN-SIXLDLHFSA-N 1 3 360.395 3.218 20 0 FGADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1I ZINC000423475094 500377638 /nfs/dbraw/zinc/37/76/38/500377638.db2.gz ZUDJPIVOFNBKBA-XQQFMLRXSA-N 1 3 358.267 3.459 20 0 FGADHO CC(C)(C)CC(=O)N1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000423525282 500382309 /nfs/dbraw/zinc/38/23/09/500382309.db2.gz KHLPJUDPRGLJCT-UHFFFAOYSA-N 1 3 361.574 3.157 20 0 FGADHO CC(C)(C)CC(=O)N1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423525282 500382313 /nfs/dbraw/zinc/38/23/13/500382313.db2.gz KHLPJUDPRGLJCT-UHFFFAOYSA-N 1 3 361.574 3.157 20 0 FGADHO CCc1cccnc1[C@@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423558046 500385007 /nfs/dbraw/zinc/38/50/07/500385007.db2.gz ITMQMNASPRQSLW-GOSISDBHSA-N 1 3 352.526 3.288 20 0 FGADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000579518028 506193282 /nfs/dbraw/zinc/19/32/82/506193282.db2.gz DVSWYTXXEOQQLT-NQIIRXRSSA-N 1 3 368.525 3.109 20 0 FGADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914460 500419129 /nfs/dbraw/zinc/41/91/29/500419129.db2.gz XXGGPQXHVAPLRY-PMACEKPBSA-N 1 3 355.526 3.161 20 0 FGADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914460 500419130 /nfs/dbraw/zinc/41/91/30/500419130.db2.gz XXGGPQXHVAPLRY-PMACEKPBSA-N 1 3 355.526 3.161 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000582357830 506194738 /nfs/dbraw/zinc/19/47/38/506194738.db2.gz QMROUYWMIANXFB-GOSISDBHSA-N 1 3 361.436 3.014 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295918 500435722 /nfs/dbraw/zinc/43/57/22/500435722.db2.gz BDHJYWAKRQIPAR-OAQYLSRUSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295918 500435724 /nfs/dbraw/zinc/43/57/24/500435724.db2.gz BDHJYWAKRQIPAR-OAQYLSRUSA-N 1 3 368.521 3.461 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431864531 500436314 /nfs/dbraw/zinc/43/63/14/500436314.db2.gz JVXOYJAZIWEIBK-LJQANCHMSA-N 1 3 359.539 3.331 20 0 FGADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326420 500441466 /nfs/dbraw/zinc/44/14/66/500441466.db2.gz JXCNZIWXSBAQIV-USXIJHARSA-N 1 3 356.470 3.128 20 0 FGADHO NC[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332144 500442951 /nfs/dbraw/zinc/44/29/51/500442951.db2.gz RJXRQYHJCRQUMC-IBGZPJMESA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332144 500442957 /nfs/dbraw/zinc/44/29/57/500442957.db2.gz RJXRQYHJCRQUMC-IBGZPJMESA-N 1 3 354.494 3.296 20 0 FGADHO [NH3+]C[C@H]1CN(CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332144 500442960 /nfs/dbraw/zinc/44/29/60/500442960.db2.gz RJXRQYHJCRQUMC-IBGZPJMESA-N 1 3 354.494 3.296 20 0 FGADHO CC(C)(C)c1cccc(OCCN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385405 500452333 /nfs/dbraw/zinc/45/23/33/500452333.db2.gz GIJMUYSQEYNNNG-UXHICEINSA-N 1 3 358.526 3.063 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420390500 500454209 /nfs/dbraw/zinc/45/42/09/500454209.db2.gz NRQMOIFLTKRXFI-AEFFLSMTSA-N 1 3 367.331 3.476 20 0 FGADHO C[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416286 500457492 /nfs/dbraw/zinc/45/74/92/500457492.db2.gz VRSMNUFMFPKUJJ-HGHGUNKESA-N 1 3 371.550 3.261 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285626 500481204 /nfs/dbraw/zinc/48/12/04/500481204.db2.gz GCSLYFNKESSYBX-QUCCMNQESA-N 1 3 357.542 3.354 20 0 FGADHO C[C@@H]1CC2(CN1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297526 500483335 /nfs/dbraw/zinc/48/33/35/500483335.db2.gz SVDSHQSXIMVQCM-GFCCVEGCSA-N 1 3 367.287 3.142 20 0 FGADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000424379883 500493883 /nfs/dbraw/zinc/49/38/83/500493883.db2.gz PKRZVMHMNSYMSU-NJDAHSKKSA-N 1 3 357.542 3.026 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424433122 500504458 /nfs/dbraw/zinc/50/44/58/500504458.db2.gz IDPBTXSDCMNAES-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000420839716 500513430 /nfs/dbraw/zinc/51/34/30/500513430.db2.gz TURZATLREOOHJQ-AOMIVXANSA-N 1 3 372.557 3.213 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473239 500514675 /nfs/dbraw/zinc/51/46/75/500514675.db2.gz LWRWZPVTGBAXNI-MLCQCVOFSA-N 1 3 372.553 3.462 20 0 FGADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985858 500548193 /nfs/dbraw/zinc/54/81/93/500548193.db2.gz WZPIJJXUURLPNH-QGZVFWFLSA-N 1 3 356.514 3.381 20 0 FGADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985858 500548194 /nfs/dbraw/zinc/54/81/94/500548194.db2.gz WZPIJJXUURLPNH-QGZVFWFLSA-N 1 3 356.514 3.381 20 0 FGADHO CSc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000576631394 506202541 /nfs/dbraw/zinc/20/25/41/506202541.db2.gz NZMQUJYHLHHTFF-IAGOWNOFSA-N 1 3 352.544 3.002 20 0 FGADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528255 500617999 /nfs/dbraw/zinc/61/79/99/500617999.db2.gz IGTYNURTHLBQNE-SFTDATJTSA-N 1 3 357.542 3.403 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917966 500646450 /nfs/dbraw/zinc/64/64/50/500646450.db2.gz BSHBMVGMSFYQPU-QGZVFWFLSA-N 1 3 355.482 3.230 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000447938794 500692549 /nfs/dbraw/zinc/69/25/49/500692549.db2.gz CGKUVWMCVZIUTC-UHFFFAOYSA-N 1 3 364.493 3.145 20 0 FGADHO C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)N1[C@H](C)CC[C@H]1C ZINC000443203549 500695958 /nfs/dbraw/zinc/69/59/58/500695958.db2.gz MDKMYBDCPHBOOI-RBSFLKMASA-N 1 3 359.474 3.006 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438564683 500802522 /nfs/dbraw/zinc/80/25/22/500802522.db2.gz WFFCCNRSPNCNEH-QFIPXVFZSA-N 1 3 369.553 3.483 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438564683 500802525 /nfs/dbraw/zinc/80/25/25/500802525.db2.gz WFFCCNRSPNCNEH-QFIPXVFZSA-N 1 3 369.553 3.483 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000444248766 500823930 /nfs/dbraw/zinc/82/39/30/500823930.db2.gz PKUUHRBVYQPMSZ-UHFFFAOYSA-N 1 3 351.494 3.452 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000444248766 500823934 /nfs/dbraw/zinc/82/39/34/500823934.db2.gz PKUUHRBVYQPMSZ-UHFFFAOYSA-N 1 3 351.494 3.452 20 0 FGADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265575 500826504 /nfs/dbraw/zinc/82/65/04/500826504.db2.gz AYEBPTJGPCZNRD-RBBKRZOGSA-N 1 3 367.537 3.033 20 0 FGADHO CC(C)N1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311965 500833392 /nfs/dbraw/zinc/83/33/92/500833392.db2.gz JTDYBLNYLIDFPY-FQEVSTJZSA-N 1 3 357.542 3.278 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000448834682 500847340 /nfs/dbraw/zinc/84/73/40/500847340.db2.gz JZIUWSYTDARNCX-VXKWHMMOSA-N 1 3 369.553 3.245 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2ccccc2)CC1 ZINC000449167638 500938979 /nfs/dbraw/zinc/93/89/79/500938979.db2.gz AVSIFXDSOLVJBJ-UGKGYDQZSA-N 1 3 352.522 3.448 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195890 500945714 /nfs/dbraw/zinc/94/57/14/500945714.db2.gz WTPCWBMUJVJXIX-DLBZAZTESA-N 1 3 371.294 3.056 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)N2CCCCCC2)CC1 ZINC000449217722 500950690 /nfs/dbraw/zinc/95/06/90/500950690.db2.gz BGDUWRANPRGYIL-FQEVSTJZSA-N 1 3 371.569 3.464 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(I)cc1 ZINC000449330230 500979429 /nfs/dbraw/zinc/97/94/29/500979429.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(I)cc1 ZINC000449330230 500979432 /nfs/dbraw/zinc/97/94/32/500979432.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 1 3 358.267 3.063 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439965191 500960895 /nfs/dbraw/zinc/96/08/95/500960895.db2.gz ZUDYZLIZKOXDSW-LEWJYISDSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439965191 500960897 /nfs/dbraw/zinc/96/08/97/500960897.db2.gz ZUDYZLIZKOXDSW-LEWJYISDSA-N 1 3 355.526 3.174 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000607689580 506227086 /nfs/dbraw/zinc/22/70/86/506227086.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CCN1C ZINC000607689580 506227091 /nfs/dbraw/zinc/22/70/91/506227091.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 1 3 373.541 3.152 20 0 FGADHO COc1cccc2c(CN3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)cccc12 ZINC000449323636 500978081 /nfs/dbraw/zinc/97/80/81/500978081.db2.gz ABJFFGMVKSFUCM-GOSISDBHSA-N 1 3 367.537 3.449 20 0 FGADHO COc1cccc2c(CN3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)cccc12 ZINC000449323636 500978085 /nfs/dbraw/zinc/97/80/85/500978085.db2.gz ABJFFGMVKSFUCM-GOSISDBHSA-N 1 3 367.537 3.449 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449363709 500987874 /nfs/dbraw/zinc/98/78/74/500987874.db2.gz QIKQUMZNLOYUOK-WZONZLPQSA-N 1 3 370.512 3.414 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562897 500992433 /nfs/dbraw/zinc/99/24/33/500992433.db2.gz JTYXHTORWCAZIB-NUJGCVRESA-N 1 3 361.555 3.092 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000449398587 500994225 /nfs/dbraw/zinc/99/42/25/500994225.db2.gz VUERYVODCPMBPX-IBGZPJMESA-N 1 3 353.595 3.102 20 0 FGADHO CCN(CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435630581 501004222 /nfs/dbraw/zinc/00/42/22/501004222.db2.gz XMSCNRYOCJETKQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCCNCC1 ZINC000435630581 501004225 /nfs/dbraw/zinc/00/42/25/501004225.db2.gz XMSCNRYOCJETKQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCCNCC1 ZINC000435630581 501004229 /nfs/dbraw/zinc/00/42/29/501004229.db2.gz XMSCNRYOCJETKQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO COc1cc(OC)c(C[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000449469355 501010913 /nfs/dbraw/zinc/01/09/13/501010913.db2.gz TWKGFPNNCCNCHP-HNNXBMFYSA-N 1 3 364.530 3.496 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449480757 501013758 /nfs/dbraw/zinc/01/37/58/501013758.db2.gz ZMXUXKQFWMQROU-LJQANCHMSA-N 1 3 357.542 3.267 20 0 FGADHO NCc1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000449506390 501020510 /nfs/dbraw/zinc/02/05/10/501020510.db2.gz SFRSKOAPOOXBLW-GOSISDBHSA-N 1 3 363.383 3.034 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020616 /nfs/dbraw/zinc/02/06/16/501020616.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 1 3 357.542 3.070 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020618 /nfs/dbraw/zinc/02/06/18/501020618.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 1 3 357.542 3.070 20 0 FGADHO C[NH+](C)CC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000445802810 501034457 /nfs/dbraw/zinc/03/44/57/501034457.db2.gz PKUPKLDKNSSZLR-UHFFFAOYSA-N 1 3 359.283 3.241 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000441006128 501074232 /nfs/dbraw/zinc/07/42/32/501074232.db2.gz BRJXEIJCYVVOIW-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348726 501125543 /nfs/dbraw/zinc/12/55/43/501125543.db2.gz CVWYOZULAGBXMU-OAHLLOKOSA-N 1 3 368.363 3.168 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000446523403 501129450 /nfs/dbraw/zinc/12/94/50/501129450.db2.gz QFEWESKBTITGQP-HXUWFJFHSA-N 1 3 372.557 3.258 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000446940100 501183346 /nfs/dbraw/zinc/18/33/46/501183346.db2.gz RLRZPUZWNAYEKF-FQEVSTJZSA-N 1 3 371.529 3.271 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000450878764 501223181 /nfs/dbraw/zinc/22/31/81/501223181.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000450878764 501223184 /nfs/dbraw/zinc/22/31/84/501223184.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878764 501223186 /nfs/dbraw/zinc/22/31/86/501223186.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878764 501223187 /nfs/dbraw/zinc/22/31/87/501223187.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 1 3 364.603 3.468 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453179888 501286353 /nfs/dbraw/zinc/28/63/53/501286353.db2.gz PPQOVOHSAFZTKM-HBMCJLEFSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453179888 501286355 /nfs/dbraw/zinc/28/63/55/501286355.db2.gz PPQOVOHSAFZTKM-HBMCJLEFSA-N 1 3 350.510 3.360 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453198186 501289114 /nfs/dbraw/zinc/28/91/14/501289114.db2.gz ONSFXQFXTWPYDR-HSZRJFAPSA-N 1 3 350.506 3.290 20 0 FGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000453254632 501300822 /nfs/dbraw/zinc/30/08/22/501300822.db2.gz PJPKYSDLQCPVOZ-FPOVZHCZSA-N 1 3 360.542 3.462 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407025 501325780 /nfs/dbraw/zinc/32/57/80/501325780.db2.gz RRAJHRNSROWPJL-ILWGZMRPSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407025 501325782 /nfs/dbraw/zinc/32/57/82/501325782.db2.gz RRAJHRNSROWPJL-ILWGZMRPSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407025 501325786 /nfs/dbraw/zinc/32/57/86/501325786.db2.gz RRAJHRNSROWPJL-ILWGZMRPSA-N 1 3 350.510 3.218 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458338265 501423193 /nfs/dbraw/zinc/42/31/93/501423193.db2.gz HQQYUBHOZWDSBN-CALCHBBNSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458338265 501423196 /nfs/dbraw/zinc/42/31/96/501423196.db2.gz HQQYUBHOZWDSBN-CALCHBBNSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000458381087 501431661 /nfs/dbraw/zinc/43/16/61/501431661.db2.gz VOPCQUPYLKDMNN-PGRDOPGGSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416578 501439826 /nfs/dbraw/zinc/43/98/26/501439826.db2.gz QIXQCSUXIJMOEQ-GHTZIAJQSA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416578 501439829 /nfs/dbraw/zinc/43/98/29/501439829.db2.gz QIXQCSUXIJMOEQ-GHTZIAJQSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451539 /nfs/dbraw/zinc/45/15/39/501451539.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 1 3 355.526 3.227 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451542 /nfs/dbraw/zinc/45/15/42/501451542.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 1 3 355.526 3.227 20 0 FGADHO Cn1cncc1CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495041 506254663 /nfs/dbraw/zinc/25/46/63/506254663.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 1 3 352.526 3.339 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464786 /nfs/dbraw/zinc/46/47/86/501464786.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464788 /nfs/dbraw/zinc/46/47/88/501464788.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 1 3 372.557 3.021 20 0 FGADHO Cn1cncc1CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495041 506254672 /nfs/dbraw/zinc/25/46/72/506254672.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000582495041 506254681 /nfs/dbraw/zinc/25/46/81/506254681.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000582495041 506254691 /nfs/dbraw/zinc/25/46/91/506254691.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 1 3 352.526 3.339 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000454214217 501484155 /nfs/dbraw/zinc/48/41/55/501484155.db2.gz DMPLABSSBDEBCF-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000458689415 501508663 /nfs/dbraw/zinc/50/86/63/501508663.db2.gz SSDAQFLKZRALHV-JBACZVJFSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689415 501508666 /nfs/dbraw/zinc/50/86/66/501508666.db2.gz SSDAQFLKZRALHV-JBACZVJFSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)N(C)C ZINC000458759398 501524425 /nfs/dbraw/zinc/52/44/25/501524425.db2.gz GHOYKTJVUDVVIU-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)N(C)C ZINC000458759398 501524426 /nfs/dbraw/zinc/52/44/26/501524426.db2.gz GHOYKTJVUDVVIU-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO CSC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027471 501604063 /nfs/dbraw/zinc/60/40/63/501604063.db2.gz VMWKMDSTFJYLSJ-UXHICEINSA-N 1 3 362.583 3.333 20 0 FGADHO CSC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027471 501604065 /nfs/dbraw/zinc/60/40/65/501604065.db2.gz VMWKMDSTFJYLSJ-UXHICEINSA-N 1 3 362.583 3.333 20 0 FGADHO Cc1ccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c(OCCN(C)C)c1 ZINC000454837315 501640190 /nfs/dbraw/zinc/64/01/90/501640190.db2.gz LMBHGWAIPWCOJL-UHFFFAOYSA-N 1 3 364.534 3.177 20 0 FGADHO COc1cccc([C@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CCN2C2CC2)c1 ZINC000459456300 501656854 /nfs/dbraw/zinc/65/68/54/501656854.db2.gz HKNNTDSUCODZNQ-YADHBBJMSA-N 1 3 355.526 3.189 20 0 FGADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000485234098 501764286 /nfs/dbraw/zinc/76/42/86/501764286.db2.gz IYRPTQFRKJJTLF-CIAFKFPVSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234098 501764288 /nfs/dbraw/zinc/76/42/88/501764288.db2.gz IYRPTQFRKJJTLF-CIAFKFPVSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234098 501764292 /nfs/dbraw/zinc/76/42/92/501764292.db2.gz IYRPTQFRKJJTLF-CIAFKFPVSA-N 1 3 369.553 3.278 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000481531392 501804818 /nfs/dbraw/zinc/80/48/18/501804818.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 1 3 357.542 3.204 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000481531392 501804822 /nfs/dbraw/zinc/80/48/22/501804822.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 1 3 357.542 3.204 20 0 FGADHO CCS[C@H]1CCCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385786 501811032 /nfs/dbraw/zinc/81/10/32/501811032.db2.gz GCWSVTBCFSEHOF-OALUTQOASA-N 1 3 363.571 3.013 20 0 FGADHO CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470893026 501844373 /nfs/dbraw/zinc/84/43/73/501844373.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470893026 501844374 /nfs/dbraw/zinc/84/43/74/501844374.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2sccc2c1 ZINC000471021733 501893183 /nfs/dbraw/zinc/89/31/83/501893183.db2.gz JYBRRQOUACQZCM-SFHVURJKSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2sccc2c1 ZINC000471021733 501893191 /nfs/dbraw/zinc/89/31/91/501893191.db2.gz JYBRRQOUACQZCM-SFHVURJKSA-N 1 3 359.539 3.389 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000481904015 501913930 /nfs/dbraw/zinc/91/39/30/501913930.db2.gz JMPAEEXDOGUDTG-WBVHZDCISA-N 1 3 358.448 3.319 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967135 501973751 /nfs/dbraw/zinc/97/37/51/501973751.db2.gz CGHPORHMFLNVFG-HXUWFJFHSA-N 1 3 371.569 3.275 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000471350874 501995496 /nfs/dbraw/zinc/99/54/96/501995496.db2.gz PVVJOGFATGBIKB-UHFFFAOYSA-N 1 3 371.569 3.309 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000471372733 502002399 /nfs/dbraw/zinc/00/23/99/502002399.db2.gz HZUZPHOJQQLEFF-PZJWPPBQSA-N 1 3 372.557 3.339 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482235050 502014428 /nfs/dbraw/zinc/01/44/28/502014428.db2.gz PNILLBZDDXVAKR-UHFFFAOYSA-N 1 3 354.494 3.284 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000486027832 502024132 /nfs/dbraw/zinc/02/41/32/502024132.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 1 3 357.542 3.087 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000486027832 502024137 /nfs/dbraw/zinc/02/41/37/502024137.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430295 502057019 /nfs/dbraw/zinc/05/70/19/502057019.db2.gz SYUSKJOTAWIJSZ-QYZOEREBSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430295 502057024 /nfs/dbraw/zinc/05/70/24/502057024.db2.gz SYUSKJOTAWIJSZ-QYZOEREBSA-N 1 3 357.542 3.408 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000468544298 502099632 /nfs/dbraw/zinc/09/96/32/502099632.db2.gz VQNSWDVMBVFCJH-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156157 /nfs/dbraw/zinc/15/61/57/502156157.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156160 /nfs/dbraw/zinc/15/61/60/502156160.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000479223099 502197688 /nfs/dbraw/zinc/19/76/88/502197688.db2.gz LFGSRSNJFZPADW-IERDGZPVSA-N 1 3 369.484 3.210 20 0 FGADHO [O-]c1cc(F)cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000472039629 502206831 /nfs/dbraw/zinc/20/68/31/502206831.db2.gz XUZJUVPBIGFIJH-UHFFFAOYSA-N 1 3 358.457 3.338 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211932 /nfs/dbraw/zinc/21/19/32/502211932.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 1 3 359.514 3.220 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211938 /nfs/dbraw/zinc/21/19/38/502211938.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 1 3 359.514 3.220 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472051711 502212081 /nfs/dbraw/zinc/21/20/81/502212081.db2.gz IJKSCEKNBNLTMR-PMACEKPBSA-N 1 3 360.546 3.195 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000472072552 502219467 /nfs/dbraw/zinc/21/94/67/502219467.db2.gz FIFVAWOVIZMDPE-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435657 502262040 /nfs/dbraw/zinc/26/20/40/502262040.db2.gz BPUOMAHUPFSBMW-TZIWHRDSSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435657 502262045 /nfs/dbraw/zinc/26/20/45/502262045.db2.gz BPUOMAHUPFSBMW-TZIWHRDSSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)CC2CCN(C)CC2)CC1)CC(C)C ZINC000486832276 502278653 /nfs/dbraw/zinc/27/86/53/502278653.db2.gz GXKFPLRHFUZIGH-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)CC2CCN(C)CC2)CC1)CC(C)C ZINC000486832276 502278659 /nfs/dbraw/zinc/27/86/59/502278659.db2.gz GXKFPLRHFUZIGH-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278828 /nfs/dbraw/zinc/27/88/28/502278828.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 1 3 373.585 3.378 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCN1C ZINC000479537705 502290153 /nfs/dbraw/zinc/29/01/53/502290153.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCN1C ZINC000479537705 502290156 /nfs/dbraw/zinc/29/01/56/502290156.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 1 3 364.578 3.155 20 0 FGADHO Cc1cc2[nH]c(CNC3CC[NH+](C4CCN(C)CC4)CC3)cc2c(C)c1 ZINC000479555422 502295960 /nfs/dbraw/zinc/29/59/60/502295960.db2.gz DVJTVNDWFKJJIS-UHFFFAOYSA-N 1 3 354.542 3.433 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176029 502302903 /nfs/dbraw/zinc/30/29/03/502302903.db2.gz JKXGSEYVWPLUHJ-WIYYLYMNSA-N 1 3 374.573 3.085 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368023 /nfs/dbraw/zinc/36/80/23/502368023.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 1 3 372.557 3.195 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368026 /nfs/dbraw/zinc/36/80/26/502368026.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C(C)C ZINC000465848656 502402391 /nfs/dbraw/zinc/40/23/91/502402391.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000465848656 502402395 /nfs/dbraw/zinc/40/23/95/502402395.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000483526653 502421717 /nfs/dbraw/zinc/42/17/17/502421717.db2.gz SGZUUMKSBZDMEK-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000483526653 502421723 /nfs/dbraw/zinc/42/17/23/502421723.db2.gz SGZUUMKSBZDMEK-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000465923181 502428481 /nfs/dbraw/zinc/42/84/81/502428481.db2.gz SMFIHPDFLIGZRM-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465939353 502433608 /nfs/dbraw/zinc/43/36/08/502433608.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465939353 502433612 /nfs/dbraw/zinc/43/36/12/502433612.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000483630169 502447360 /nfs/dbraw/zinc/44/73/60/502447360.db2.gz XBWYQKITRCMJLC-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466154553 502491267 /nfs/dbraw/zinc/49/12/67/502491267.db2.gz TUYKJWHISSBZFI-VNTMZGSJSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466154553 502491275 /nfs/dbraw/zinc/49/12/75/502491275.db2.gz TUYKJWHISSBZFI-VNTMZGSJSA-N 1 3 364.578 3.013 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519672 /nfs/dbraw/zinc/51/96/72/502519672.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@H](C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519676 /nfs/dbraw/zinc/51/96/76/502519676.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 1 3 356.432 3.288 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747151 502521099 /nfs/dbraw/zinc/52/10/99/502521099.db2.gz FRCFCQJEBRCCEL-NSDNCLLMSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747151 502521106 /nfs/dbraw/zinc/52/11/06/502521106.db2.gz FRCFCQJEBRCCEL-NSDNCLLMSA-N 1 3 361.505 3.104 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748016 502555789 /nfs/dbraw/zinc/55/57/89/502555789.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748016 502555794 /nfs/dbraw/zinc/55/57/94/502555794.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000476762184 502580378 /nfs/dbraw/zinc/58/03/78/502580378.db2.gz MURFWNCJQFCKCA-BFYDXBDKSA-N 1 3 351.560 3.414 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1Cc1ccccc1 ZINC000466517909 502595231 /nfs/dbraw/zinc/59/52/31/502595231.db2.gz KUPPLPOYCVNPCD-NQIIRXRSSA-N 1 3 372.557 3.261 20 0 FGADHO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000476900158 502615886 /nfs/dbraw/zinc/61/58/86/502615886.db2.gz FRYNLBLVVWLQJK-AZUAARDMSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632144 502628706 /nfs/dbraw/zinc/62/87/06/502628706.db2.gz RINGXAQFOCGTPC-IRXDYDNUSA-N 1 3 367.559 3.221 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632144 502628709 /nfs/dbraw/zinc/62/87/09/502628709.db2.gz RINGXAQFOCGTPC-IRXDYDNUSA-N 1 3 367.559 3.221 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000473730312 502689568 /nfs/dbraw/zinc/68/95/68/502689568.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 1 3 372.557 3.345 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000473730312 502689574 /nfs/dbraw/zinc/68/95/74/502689574.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463137903 502704638 /nfs/dbraw/zinc/70/46/38/502704638.db2.gz AKZUSAAZSZVXJN-FYYLOGMGSA-N 1 3 372.601 3.047 20 0 FGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000470211936 502705605 /nfs/dbraw/zinc/70/56/05/502705605.db2.gz OGMXZGJIVYHEMP-NRFANRHFSA-N 1 3 369.553 3.476 20 0 FGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000470211936 502705610 /nfs/dbraw/zinc/70/56/10/502705610.db2.gz OGMXZGJIVYHEMP-NRFANRHFSA-N 1 3 369.553 3.476 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418885 502709078 /nfs/dbraw/zinc/70/90/78/502709078.db2.gz TUVJPVPKVPBHRZ-NHCUHLMSSA-N 1 3 361.599 3.444 20 0 FGADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)CNC2 ZINC000470369792 502752794 /nfs/dbraw/zinc/75/27/94/502752794.db2.gz QFSAXVFKPMPUCQ-UHFFFAOYSA-N 1 3 357.885 3.147 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470372090 502754206 /nfs/dbraw/zinc/75/42/06/502754206.db2.gz JMDSAEPZVMMFDZ-KRWDZBQOSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000470372090 502754209 /nfs/dbraw/zinc/75/42/09/502754209.db2.gz JMDSAEPZVMMFDZ-KRWDZBQOSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000481177075 502775018 /nfs/dbraw/zinc/77/50/18/502775018.db2.gz YRSFQYBWPLBOBS-NQIIRXRSSA-N 1 3 363.505 3.076 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000474032386 502784633 /nfs/dbraw/zinc/78/46/33/502784633.db2.gz IXMQZBZVTVQMBA-CEMLEFRQSA-N 1 3 360.542 3.354 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000500657396 502833581 /nfs/dbraw/zinc/83/35/81/502833581.db2.gz WXMRDUUOLQTTLG-OALUTQOASA-N 1 3 372.557 3.012 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407431 502835267 /nfs/dbraw/zinc/83/52/67/502835267.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 1 3 355.526 3.189 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407431 502835270 /nfs/dbraw/zinc/83/52/70/502835270.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 1 3 355.526 3.189 20 0 FGADHO C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070146 502844367 /nfs/dbraw/zinc/84/43/67/502844367.db2.gz OJYDOEBUVKAGCA-NJYVYQBISA-N 1 3 371.569 3.415 20 0 FGADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000488961085 502848284 /nfs/dbraw/zinc/84/82/84/502848284.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000488961085 502848285 /nfs/dbraw/zinc/84/82/85/502848285.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025162 502915276 /nfs/dbraw/zinc/91/52/76/502915276.db2.gz YXOHGWOVJASNQB-LVCYWYKZSA-N 1 3 372.557 3.171 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586528 502942253 /nfs/dbraw/zinc/94/22/53/502942253.db2.gz HIWVRARCKIFJFS-DLBZAZTESA-N 1 3 364.534 3.130 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586528 502942256 /nfs/dbraw/zinc/94/22/56/502942256.db2.gz HIWVRARCKIFJFS-DLBZAZTESA-N 1 3 364.534 3.130 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccccc2)CC1 ZINC000505592813 502943209 /nfs/dbraw/zinc/94/32/09/502943209.db2.gz ZWEFMKQBJBRVQN-UHFFFAOYSA-N 1 3 367.537 3.477 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+](CCOC)Cc2ccccc2)CC1 ZINC000505592813 502943212 /nfs/dbraw/zinc/94/32/12/502943212.db2.gz ZWEFMKQBJBRVQN-UHFFFAOYSA-N 1 3 367.537 3.477 20 0 FGADHO CC[NH+]1CCN(c2ccccc2CN(CCOC)Cc2ccccc2)CC1 ZINC000505592813 502943216 /nfs/dbraw/zinc/94/32/16/502943216.db2.gz ZWEFMKQBJBRVQN-UHFFFAOYSA-N 1 3 367.537 3.477 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765672 502981382 /nfs/dbraw/zinc/98/13/82/502981382.db2.gz KTDQIBVHJOQPAD-IBGZPJMESA-N 1 3 363.571 3.038 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765672 502981385 /nfs/dbraw/zinc/98/13/85/502981385.db2.gz KTDQIBVHJOQPAD-IBGZPJMESA-N 1 3 363.571 3.038 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1 ZINC000497549532 502985199 /nfs/dbraw/zinc/98/51/99/502985199.db2.gz AOYPZRNEWBORKA-MSOLQXFVSA-N 1 3 366.525 3.094 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000513690592 503001503 /nfs/dbraw/zinc/00/15/03/503001503.db2.gz KVSJRXCOWJONAZ-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000513690592 503001508 /nfs/dbraw/zinc/00/15/08/503001508.db2.gz KVSJRXCOWJONAZ-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000513690592 503001511 /nfs/dbraw/zinc/00/15/11/503001511.db2.gz KVSJRXCOWJONAZ-YESZJQIVSA-N 1 3 353.304 3.290 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@H](C)C[NH2+]1 ZINC000505875426 503003798 /nfs/dbraw/zinc/00/37/98/503003798.db2.gz WCCAGDDSLZUHQU-QZTJIDSGSA-N 1 3 351.494 3.141 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501523900 503028706 /nfs/dbraw/zinc/02/87/06/503028706.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501523900 503028710 /nfs/dbraw/zinc/02/87/10/503028710.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000514008150 503066715 /nfs/dbraw/zinc/06/67/15/503066715.db2.gz BOLPGUMZUREBOL-OAQYLSRUSA-N 1 3 357.542 3.375 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856515 503094968 /nfs/dbraw/zinc/09/49/68/503094968.db2.gz JPLVJOWZOGFTQB-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856515 503094971 /nfs/dbraw/zinc/09/49/71/503094971.db2.gz JPLVJOWZOGFTQB-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO Cc1nc(COc2ccc(CN(CCC[NH3+])CC3CCCC3)cc2)no1 ZINC000490039987 503097602 /nfs/dbraw/zinc/09/76/02/503097602.db2.gz OJZBAWWVWBGHQO-UHFFFAOYSA-N 1 3 358.486 3.298 20 0 FGADHO Cc1nc(COc2ccc(C[N@H+](CCCN)CC3CCCC3)cc2)no1 ZINC000490039987 503097606 /nfs/dbraw/zinc/09/76/06/503097606.db2.gz OJZBAWWVWBGHQO-UHFFFAOYSA-N 1 3 358.486 3.298 20 0 FGADHO Cc1nc(COc2ccc(C[N@@H+](CCCN)CC3CCCC3)cc2)no1 ZINC000490039987 503097611 /nfs/dbraw/zinc/09/76/11/503097611.db2.gz OJZBAWWVWBGHQO-UHFFFAOYSA-N 1 3 358.486 3.298 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186297 503108037 /nfs/dbraw/zinc/10/80/37/503108037.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186297 503108040 /nfs/dbraw/zinc/10/80/40/503108040.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCCC[C@@H]1C ZINC000510510702 503129573 /nfs/dbraw/zinc/12/95/73/503129573.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCCC[C@@H]1C ZINC000510510702 503129577 /nfs/dbraw/zinc/12/95/77/503129577.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C[C@H](C)O1 ZINC000498351467 503164378 /nfs/dbraw/zinc/16/43/78/503164378.db2.gz CJDCDEPVXHROMT-HRCADAONSA-N 1 3 351.560 3.247 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000510694083 503174279 /nfs/dbraw/zinc/17/42/79/503174279.db2.gz VWRARQUOWZYDCR-JOCHJYFZSA-N 1 3 370.585 3.279 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000498705302 503243078 /nfs/dbraw/zinc/24/30/78/503243078.db2.gz ORNLMUIWTUMJHC-ICSRJNTNSA-N 1 3 362.562 3.486 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000502874931 503296277 /nfs/dbraw/zinc/29/62/77/503296277.db2.gz BIURTEFYWFXYAF-FQEVSTJZSA-N 1 3 374.573 3.414 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000502874931 503296282 /nfs/dbraw/zinc/29/62/82/503296282.db2.gz BIURTEFYWFXYAF-FQEVSTJZSA-N 1 3 374.573 3.414 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415173 503297074 /nfs/dbraw/zinc/29/70/74/503297074.db2.gz UCYRSCISSPFLMV-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415173 503297079 /nfs/dbraw/zinc/29/70/79/503297079.db2.gz UCYRSCISSPFLMV-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000502913674 503306821 /nfs/dbraw/zinc/30/68/21/503306821.db2.gz WWGTWAQLZKPFKT-LJQANCHMSA-N 1 3 372.557 3.154 20 0 FGADHO CN1CCO[C@@H]([C@H](NC2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443455 503338942 /nfs/dbraw/zinc/33/89/42/503338942.db2.gz SWRPCLAVDDVSIM-NTFDOXNWSA-N 1 3 365.949 3.174 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511585474 503348843 /nfs/dbraw/zinc/34/88/43/503348843.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511585474 503348848 /nfs/dbraw/zinc/34/88/48/503348848.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO CC[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800225 503368222 /nfs/dbraw/zinc/36/82/22/503368222.db2.gz ZCACLNWRZLCOFZ-FMWKFLBASA-N 1 3 352.563 3.403 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C ZINC000499312230 503378026 /nfs/dbraw/zinc/37/80/26/503378026.db2.gz KFMSICABEJWWRG-SCTDSRPQSA-N 1 3 362.562 3.262 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000503316529 503388393 /nfs/dbraw/zinc/38/83/93/503388393.db2.gz MARVQQNFOQGCBV-HXUWFJFHSA-N 1 3 372.557 3.411 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000503316529 503388397 /nfs/dbraw/zinc/38/83/97/503388397.db2.gz MARVQQNFOQGCBV-HXUWFJFHSA-N 1 3 372.557 3.411 20 0 FGADHO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000507950692 503403268 /nfs/dbraw/zinc/40/32/68/503403268.db2.gz MTSQKKGCJHLWTE-ICSRJNTNSA-N 1 3 357.542 3.428 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000515798505 503403800 /nfs/dbraw/zinc/40/38/00/503403800.db2.gz CWBSQZIRRSVQLD-UHFFFAOYSA-N 1 3 352.567 3.059 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C ZINC000503431399 503408180 /nfs/dbraw/zinc/40/81/80/503408180.db2.gz QAYHIRXWRJKYAI-YXUAKONQSA-N 1 3 372.557 3.302 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2CCC)CC1 ZINC000511900085 503410988 /nfs/dbraw/zinc/41/09/88/503410988.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2CCC)CC1 ZINC000511900085 503410990 /nfs/dbraw/zinc/41/09/90/503410990.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCC(CC)(CNC(=O)N1CCCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503795768 503472857 /nfs/dbraw/zinc/47/28/57/503472857.db2.gz SRASMCPQXONUSH-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079379 503483953 /nfs/dbraw/zinc/48/39/53/503483953.db2.gz NPBPQKZLJZVOMN-KAGYGMCKSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079379 503483956 /nfs/dbraw/zinc/48/39/56/503483956.db2.gz NPBPQKZLJZVOMN-KAGYGMCKSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](N(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435494 503550171 /nfs/dbraw/zinc/55/01/71/503550171.db2.gz JDIYFCBDRDINRS-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](N(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435494 503550173 /nfs/dbraw/zinc/55/01/73/503550173.db2.gz JDIYFCBDRDINRS-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722316 503551239 /nfs/dbraw/zinc/55/12/39/503551239.db2.gz XFLSUEJANDTLHU-IEBWSBKVSA-N 1 3 364.493 3.242 20 0 FGADHO C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722317 503551556 /nfs/dbraw/zinc/55/15/56/503551556.db2.gz XFLSUEJANDTLHU-MJGOQNOKSA-N 1 3 364.493 3.242 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCC(C)CC2)c1 ZINC000500130871 503561224 /nfs/dbraw/zinc/56/12/24/503561224.db2.gz GQQXHBQPDLXWKW-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508845840 503575826 /nfs/dbraw/zinc/57/58/26/503575826.db2.gz KVOWCAVPSNNDPS-UYAOXDASSA-N 1 3 362.562 3.360 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2-c2ccnn2C)C1 ZINC000508856338 503579094 /nfs/dbraw/zinc/57/90/94/503579094.db2.gz AAJILIFHRWJWHH-LJQANCHMSA-N 1 3 356.514 3.020 20 0 FGADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000494638111 503579789 /nfs/dbraw/zinc/57/97/89/503579789.db2.gz OXUWGTUJRGNDSM-UNMCSNQZSA-N 1 3 355.526 3.033 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927760 503762869 /nfs/dbraw/zinc/76/28/69/503762869.db2.gz UTOYCYXPPRVLHL-OALUTQOASA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927760 503762872 /nfs/dbraw/zinc/76/28/72/503762872.db2.gz UTOYCYXPPRVLHL-OALUTQOASA-N 1 3 351.579 3.466 20 0 FGADHO Fc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530501 503826598 /nfs/dbraw/zinc/82/65/98/503826598.db2.gz FGAOPFDPOTUDPX-LJQANCHMSA-N 1 3 365.456 3.018 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000543674755 503848370 /nfs/dbraw/zinc/84/83/70/503848370.db2.gz KUJWKCBKWUXSLG-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCCCC1 ZINC000517887630 503858657 /nfs/dbraw/zinc/85/86/57/503858657.db2.gz SYQCRXXXUWKBCW-LJQANCHMSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293536 503871710 /nfs/dbraw/zinc/87/17/10/503871710.db2.gz WAKVCMYSRBYSSS-KGLIPLIRSA-N 1 3 363.889 3.324 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000533534518 503878880 /nfs/dbraw/zinc/87/88/80/503878880.db2.gz LGUDPIAYHYOWKN-PMACEKPBSA-N 1 3 371.569 3.260 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530214921 503881108 /nfs/dbraw/zinc/88/11/08/503881108.db2.gz YXRMJUGZQBOTTQ-WPMJJANXSA-N 1 3 353.304 3.194 20 0 FGADHO OC1(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC(c2ccccc2)CC1 ZINC000530232085 503884912 /nfs/dbraw/zinc/88/49/12/503884912.db2.gz XGZAMXHBQIEWSS-YGWXTMFKSA-N 1 3 372.553 3.166 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527675861 503890184 /nfs/dbraw/zinc/89/01/84/503890184.db2.gz PLQOCXNVTNAYDH-NRFANRHFSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527675861 503890185 /nfs/dbraw/zinc/89/01/85/503890185.db2.gz PLQOCXNVTNAYDH-NRFANRHFSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362218 503962937 /nfs/dbraw/zinc/96/29/37/503962937.db2.gz KNSHSRYKPAAMRW-IEBWSBKVSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362218 503962942 /nfs/dbraw/zinc/96/29/42/503962942.db2.gz KNSHSRYKPAAMRW-IEBWSBKVSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362218 503962949 /nfs/dbraw/zinc/96/29/49/503962949.db2.gz KNSHSRYKPAAMRW-IEBWSBKVSA-N 1 3 368.949 3.175 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963058 /nfs/dbraw/zinc/96/30/58/503963058.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 1 3 370.541 3.138 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963064 /nfs/dbraw/zinc/96/30/64/503963064.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(OCCN(C)C)c1 ZINC000518565896 504017602 /nfs/dbraw/zinc/01/76/02/504017602.db2.gz RIJCPYSQXYYHTC-SXLOBPIMSA-N 1 3 373.541 3.211 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc(OCCN(C)C)c1 ZINC000518565895 504017830 /nfs/dbraw/zinc/01/78/30/504017830.db2.gz RIJCPYSQXYYHTC-IHPCNDPISA-N 1 3 373.541 3.211 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CN3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066763 /nfs/dbraw/zinc/06/67/63/504066763.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 1 3 363.571 3.069 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CN3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066778 /nfs/dbraw/zinc/06/67/78/504066778.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 1 3 363.571 3.069 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286222 504073612 /nfs/dbraw/zinc/07/36/12/504073612.db2.gz IPJIXKLKHJSABN-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO Oc1ccc2c(c1)CN(CCCCN1CCc3ccc(O)cc3C1)CC2 ZINC000534273342 504091326 /nfs/dbraw/zinc/09/13/26/504091326.db2.gz MNWDZXSBKJIENF-UHFFFAOYSA-N 1 3 352.478 3.294 20 0 FGADHO Oc1ccc2c(c1)CN(CCCC[N@@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000534273342 504091334 /nfs/dbraw/zinc/09/13/34/504091334.db2.gz MNWDZXSBKJIENF-UHFFFAOYSA-N 1 3 352.478 3.294 20 0 FGADHO Oc1ccc2c(c1)CN(CCCC[N@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000534273342 504091336 /nfs/dbraw/zinc/09/13/36/504091336.db2.gz MNWDZXSBKJIENF-UHFFFAOYSA-N 1 3 352.478 3.294 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179321 504158853 /nfs/dbraw/zinc/15/88/53/504158853.db2.gz HOCCEUCCOJTQMZ-LEWJYISDSA-N 1 3 372.557 3.195 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538204502 504161411 /nfs/dbraw/zinc/16/14/11/504161411.db2.gz GSQOINZEMQJNRM-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000544593841 504185056 /nfs/dbraw/zinc/18/50/56/504185056.db2.gz FSVCNRCXAZSLBE-UHFFFAOYSA-N 1 3 352.526 3.084 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000531118481 504194286 /nfs/dbraw/zinc/19/42/86/504194286.db2.gz BVOKLYZCOQBMPV-UHFFFAOYSA-N 1 3 355.482 3.044 20 0 FGADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1C1CCCCC1 ZINC000531118642 504194322 /nfs/dbraw/zinc/19/43/22/504194322.db2.gz HLAAZMNGZXZUJN-UHFFFAOYSA-N 1 3 362.562 3.176 20 0 FGADHO CC(C)[C@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000544622096 504195294 /nfs/dbraw/zinc/19/52/94/504195294.db2.gz RVZAEAHCJFHYIJ-ICSRJNTNSA-N 1 3 366.594 3.115 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000544634769 504199690 /nfs/dbraw/zinc/19/96/90/504199690.db2.gz VFWHHZZMUUIINE-LAUBAEHRSA-N 1 3 374.573 3.223 20 0 FGADHO C[C@@H](c1ccccc1)[C@H](O)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000519580960 504260870 /nfs/dbraw/zinc/26/08/70/504260870.db2.gz UCVOFGQCVPFZNO-WMZHIEFXSA-N 1 3 352.522 3.448 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C4CCCC4)C3)CC2)CC1 ZINC000519655155 504291790 /nfs/dbraw/zinc/29/17/90/504291790.db2.gz UAFJYEQZFQXHPT-HXUWFJFHSA-N 1 3 361.574 3.221 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000535003809 504309397 /nfs/dbraw/zinc/30/93/97/504309397.db2.gz BYYAXBQTFKXRIS-CVDCTZTESA-N 1 3 367.537 3.300 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804751 504430713 /nfs/dbraw/zinc/43/07/13/504430713.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804751 504430719 /nfs/dbraw/zinc/43/07/19/504430719.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C23CCC[NH+]2CCC3)c2ccccc2)CC1 ZINC000548412174 504435681 /nfs/dbraw/zinc/43/56/81/504435681.db2.gz SFWOOPYHMUOANB-FQEVSTJZSA-N 1 3 355.526 3.204 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226420 504440518 /nfs/dbraw/zinc/44/05/18/504440518.db2.gz QNPKFIPBRAHSMT-UXHICEINSA-N 1 3 355.526 3.133 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000520378584 504482603 /nfs/dbraw/zinc/48/26/03/504482603.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000520378584 504482606 /nfs/dbraw/zinc/48/26/06/504482606.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435840 504489371 /nfs/dbraw/zinc/48/93/71/504489371.db2.gz PGVXHTKMUPTWQO-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639561 504547018 /nfs/dbraw/zinc/54/70/18/504547018.db2.gz FTRFCJOCIZHNFB-UYAOXDASSA-N 1 3 366.509 3.361 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639561 504547024 /nfs/dbraw/zinc/54/70/24/504547024.db2.gz FTRFCJOCIZHNFB-UYAOXDASSA-N 1 3 366.509 3.361 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000520775190 504579887 /nfs/dbraw/zinc/57/98/87/504579887.db2.gz NJYVHEFWQBMLEP-FQEVSTJZSA-N 1 3 373.541 3.108 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499898 504591318 /nfs/dbraw/zinc/59/13/18/504591318.db2.gz MVXWTLMGRCOVLG-YADHBBJMSA-N 1 3 371.569 3.261 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000539647549 504637927 /nfs/dbraw/zinc/63/79/27/504637927.db2.gz DAYPYTWSUBZTMN-GUYCJALGSA-N 1 3 357.901 3.222 20 0 FGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491564 504669378 /nfs/dbraw/zinc/66/93/78/504669378.db2.gz HXELLUNQQVQKEI-STQMWFEESA-N 1 3 356.308 3.096 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825904 504706486 /nfs/dbraw/zinc/70/64/86/504706486.db2.gz VYJVWDNHUHAFHI-QGZVFWFLSA-N 1 3 355.530 3.445 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825904 504706489 /nfs/dbraw/zinc/70/64/89/504706489.db2.gz VYJVWDNHUHAFHI-QGZVFWFLSA-N 1 3 355.530 3.445 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361084 504709578 /nfs/dbraw/zinc/70/95/78/504709578.db2.gz NTCNTIPBEGQTSK-OAQYLSRUSA-N 1 3 369.509 3.435 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361084 504709586 /nfs/dbraw/zinc/70/95/86/504709586.db2.gz NTCNTIPBEGQTSK-OAQYLSRUSA-N 1 3 369.509 3.435 20 0 FGADHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724517 /nfs/dbraw/zinc/72/45/17/504724517.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724518 /nfs/dbraw/zinc/72/45/18/504724518.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000521411457 504730442 /nfs/dbraw/zinc/73/04/42/504730442.db2.gz DWTJBTAODHMKOC-NJDAHSKKSA-N 1 3 372.557 3.374 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932585 504742119 /nfs/dbraw/zinc/74/21/19/504742119.db2.gz SVADYIDNWZTRTA-NQIIRXRSSA-N 1 3 373.541 3.213 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033593 504776963 /nfs/dbraw/zinc/77/69/63/504776963.db2.gz BSBYJAPGNYUKRL-HDICACEKSA-N 1 3 357.542 3.221 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000549325125 504791665 /nfs/dbraw/zinc/79/16/65/504791665.db2.gz RZGKCSVDFOQPCV-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000553009436 504803728 /nfs/dbraw/zinc/80/37/28/504803728.db2.gz MZIICXCJVCEZOY-YLJYHZDGSA-N 1 3 354.494 3.470 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000556202818 504819591 /nfs/dbraw/zinc/81/95/91/504819591.db2.gz DAHPAWSHHLOINU-FYZZASKESA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000556202818 504819595 /nfs/dbraw/zinc/81/95/95/504819595.db2.gz DAHPAWSHHLOINU-FYZZASKESA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000556202818 504819599 /nfs/dbraw/zinc/81/95/99/504819599.db2.gz DAHPAWSHHLOINU-FYZZASKESA-N 1 3 357.542 3.039 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472593 504831560 /nfs/dbraw/zinc/83/15/60/504831560.db2.gz SRALUNYUWBLFHD-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472593 504831564 /nfs/dbraw/zinc/83/15/64/504831564.db2.gz SRALUNYUWBLFHD-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889460 /nfs/dbraw/zinc/88/94/60/504889460.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 1 3 359.558 3.082 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889464 /nfs/dbraw/zinc/88/94/64/504889464.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 1 3 359.558 3.082 20 0 FGADHO CC(C)(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000553394502 504902809 /nfs/dbraw/zinc/90/28/09/504902809.db2.gz PEWCIYHNQOVBDA-FQEVSTJZSA-N 1 3 361.505 3.246 20 0 FGADHO CN(C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861088 504919716 /nfs/dbraw/zinc/91/97/16/504919716.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 1 3 356.485 3.183 20 0 FGADHO CN(C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861088 504919719 /nfs/dbraw/zinc/91/97/19/504919719.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 1 3 356.485 3.183 20 0 FGADHO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864177 504999522 /nfs/dbraw/zinc/99/95/22/504999522.db2.gz CNUGWFUTFCUDIA-ACIOBRDBSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886897 505006649 /nfs/dbraw/zinc/00/66/49/505006649.db2.gz PUONXEXFERFYTF-KURKYZTESA-N 1 3 356.514 3.270 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@@H]21 ZINC000556885977 505006991 /nfs/dbraw/zinc/00/69/91/505006991.db2.gz ROEHMXZOUOCSRN-IKGGRYGDSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@@H]21 ZINC000556885977 505006996 /nfs/dbraw/zinc/00/69/96/505006996.db2.gz ROEHMXZOUOCSRN-IKGGRYGDSA-N 1 3 360.889 3.395 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000562994209 505013226 /nfs/dbraw/zinc/01/32/26/505013226.db2.gz AQLHCYTXKCZAAY-DYESRHJHSA-N 1 3 372.484 3.381 20 0 FGADHO CC1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000563099965 505048171 /nfs/dbraw/zinc/04/81/71/505048171.db2.gz JGIPIFVLXGGXFN-NHCUHLMSSA-N 1 3 369.553 3.137 20 0 FGADHO CC1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000563099964 505048201 /nfs/dbraw/zinc/04/82/01/505048201.db2.gz JGIPIFVLXGGXFN-LEWJYISDSA-N 1 3 369.553 3.137 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc2c1CCNC2 ZINC000557032632 505048819 /nfs/dbraw/zinc/04/88/19/505048819.db2.gz SIBQJRVMJWWKRO-IEBWSBKVSA-N 1 3 358.530 3.354 20 0 FGADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199085 505073690 /nfs/dbraw/zinc/07/36/90/505073690.db2.gz RHZRFKBCLAKIBZ-ROUUACIJSA-N 1 3 357.542 3.079 20 0 FGADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199081 505073720 /nfs/dbraw/zinc/07/37/20/505073720.db2.gz RHZRFKBCLAKIBZ-MSOLQXFVSA-N 1 3 357.542 3.079 20 0 FGADHO C[C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[NH+]1CCCCCC1 ZINC000560489687 505102385 /nfs/dbraw/zinc/10/23/85/505102385.db2.gz GUPFCCCAKUQHRP-SFHVURJKSA-N 1 3 366.509 3.148 20 0 FGADHO CN(C)C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000566197502 505110071 /nfs/dbraw/zinc/11/00/71/505110071.db2.gz GVRVAOHNYPTRNL-DLLQETOTSA-N 1 3 363.933 3.213 20 0 FGADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000560543231 505120878 /nfs/dbraw/zinc/12/08/78/505120878.db2.gz BGQTXQHKKUAKEA-GLFJAGTFSA-N 1 3 365.880 3.047 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245355 505121699 /nfs/dbraw/zinc/12/16/99/505121699.db2.gz OEWBROHIMHHFCK-KBAYOESNSA-N 1 3 363.933 3.181 20 0 FGADHO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000560549847 505122674 /nfs/dbraw/zinc/12/26/74/505122674.db2.gz ZIGDSWIECDCELN-KSEOMHKRSA-N 1 3 352.526 3.243 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255268 505126241 /nfs/dbraw/zinc/12/62/41/505126241.db2.gz RCUYTHSPCVNYFX-SJORKVTESA-N 1 3 364.534 3.273 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000554260551 505127424 /nfs/dbraw/zinc/12/74/24/505127424.db2.gz OXRHDITWKNNYHM-PKOBYXMFSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000566296050 505137242 /nfs/dbraw/zinc/13/72/42/505137242.db2.gz MRVUOGUDUUFXOF-SFHVURJKSA-N 1 3 365.521 3.105 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000557627989 505186399 /nfs/dbraw/zinc/18/63/99/505186399.db2.gz NPGZNSUJMSEQOB-NHCUHLMSSA-N 1 3 361.574 3.268 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265378 505188535 /nfs/dbraw/zinc/18/85/35/505188535.db2.gz UZLQTEWMQABNCL-RTWAWAEBSA-N 1 3 358.526 3.074 20 0 FGADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000566505030 505191224 /nfs/dbraw/zinc/19/12/24/505191224.db2.gz RCCUIUVQMRIRIY-ZDUSSCGKSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000554609465 505221739 /nfs/dbraw/zinc/22/17/39/505221739.db2.gz AAWHRYUEAHFLNT-IEBWSBKVSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000554609465 505221742 /nfs/dbraw/zinc/22/17/42/505221742.db2.gz AAWHRYUEAHFLNT-IEBWSBKVSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000561156870 505266815 /nfs/dbraw/zinc/26/68/15/505266815.db2.gz WPAGUZMDFXNEAF-GUDVDZBRSA-N 1 3 357.542 3.123 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2cccc3ccccc32)c1 ZINC000563989782 505296467 /nfs/dbraw/zinc/29/64/67/505296467.db2.gz LZHXMKMMULGPHI-OAQYLSRUSA-N 1 3 364.489 3.431 20 0 FGADHO CCc1ccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000558080386 505303129 /nfs/dbraw/zinc/30/31/29/505303129.db2.gz MJFZOUIVHUZJIH-JOCHJYFZSA-N 1 3 357.542 3.279 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000566937247 505315606 /nfs/dbraw/zinc/31/56/06/505315606.db2.gz SAXPTKFUKMHCBR-LPHOPBHVSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000566937247 505315610 /nfs/dbraw/zinc/31/56/10/505315610.db2.gz SAXPTKFUKMHCBR-LPHOPBHVSA-N 1 3 363.571 3.392 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261243 505346760 /nfs/dbraw/zinc/34/67/60/505346760.db2.gz ZXKDLZBJKFIGDY-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261243 505346761 /nfs/dbraw/zinc/34/67/61/505346761.db2.gz ZXKDLZBJKFIGDY-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364472 /nfs/dbraw/zinc/36/44/72/505364472.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364474 /nfs/dbraw/zinc/36/44/74/505364474.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)N(C)C)cc1 ZINC000558346839 505364762 /nfs/dbraw/zinc/36/47/62/505364762.db2.gz DDKWMWQZWLIKHA-WMQCIHAUSA-N 1 3 372.557 3.120 20 0 FGADHO C[N@@H+]1CC[C@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054194 505383490 /nfs/dbraw/zinc/38/34/90/505383490.db2.gz NSEWAOBLBRQLCB-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO C[N@H+]1CC[C@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054194 505383496 /nfs/dbraw/zinc/38/34/96/505383496.db2.gz NSEWAOBLBRQLCB-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000558600324 505435450 /nfs/dbraw/zinc/43/54/50/505435450.db2.gz VEFURZXGJUQMCS-LJQANCHMSA-N 1 3 374.573 3.113 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000558600324 505435454 /nfs/dbraw/zinc/43/54/54/505435454.db2.gz VEFURZXGJUQMCS-LJQANCHMSA-N 1 3 374.573 3.113 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCCCC1 ZINC000567370187 505443856 /nfs/dbraw/zinc/44/38/56/505443856.db2.gz QHFLJXQIYFBWFG-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567386872 505447934 /nfs/dbraw/zinc/44/79/34/505447934.db2.gz LKGLIEQXQBOPSW-KVPLUYHFSA-N 1 3 365.521 3.337 20 0 FGADHO Clc1ccccc1[C@H]1CCC[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492573 505479958 /nfs/dbraw/zinc/47/99/58/505479958.db2.gz GBGHYHMGPVFCDU-WBVHZDCISA-N 1 3 359.905 3.351 20 0 FGADHO COc1ccc(OC(F)F)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000561974726 505482422 /nfs/dbraw/zinc/48/24/22/505482422.db2.gz DJWCNKHHYUDMQK-OAHLLOKOSA-N 1 3 354.441 3.460 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1C ZINC000567515843 505485417 /nfs/dbraw/zinc/48/54/17/505485417.db2.gz DISSCYYAJLERAC-QGWWYQLQSA-N 1 3 363.933 3.022 20 0 FGADHO CC(C)[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443883 505493433 /nfs/dbraw/zinc/49/34/33/505493433.db2.gz FIDAGTGFDDQQOE-JOCHJYFZSA-N 1 3 359.558 3.464 20 0 FGADHO CC(C)[C@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CCCO1 ZINC000552443883 505493438 /nfs/dbraw/zinc/49/34/38/505493438.db2.gz FIDAGTGFDDQQOE-JOCHJYFZSA-N 1 3 359.558 3.464 20 0 FGADHO CC(C)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CCCO1 ZINC000552443883 505493441 /nfs/dbraw/zinc/49/34/41/505493441.db2.gz FIDAGTGFDDQQOE-JOCHJYFZSA-N 1 3 359.558 3.464 20 0 FGADHO c1cn(-c2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641535 505522200 /nfs/dbraw/zinc/52/22/00/505522200.db2.gz LWKVERPILOSKPS-UNMCSNQZSA-N 1 3 360.461 3.218 20 0 FGADHO Cc1ccccc1OC[C@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000567677900 505532767 /nfs/dbraw/zinc/53/27/67/505532767.db2.gz DFJDOOUNGWSDGM-OAQYLSRUSA-N 1 3 354.494 3.120 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220930 505543510 /nfs/dbraw/zinc/54/35/10/505543510.db2.gz IPRJZRJMRKWZGM-IAGOWNOFSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CCN(C)CC1 ZINC000567710891 505545942 /nfs/dbraw/zinc/54/59/42/505545942.db2.gz UXTNRFPKVOAJRW-CYBMUJFWSA-N 1 3 366.303 3.018 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552780151 505553327 /nfs/dbraw/zinc/55/33/27/505553327.db2.gz ZNXTYTOLHDZOGX-KURKYZTESA-N 1 3 373.541 3.037 20 0 FGADHO N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000567802132 505564536 /nfs/dbraw/zinc/56/45/36/505564536.db2.gz AVYVCXVIGYKWFH-NRFANRHFSA-N 1 3 373.541 3.075 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000582732964 506389452 /nfs/dbraw/zinc/38/94/52/506389452.db2.gz WOEUXECZQQYGNE-MRXNPFEDSA-N 1 3 354.498 3.050 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000612218398 506486301 /nfs/dbraw/zinc/48/63/01/506486301.db2.gz GZQRIPVGCRWCAH-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000582927176 506493163 /nfs/dbraw/zinc/49/31/63/506493163.db2.gz USVWIDYZCRPJPS-LJQANCHMSA-N 1 3 363.571 3.248 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357726 506524245 /nfs/dbraw/zinc/52/42/45/506524245.db2.gz GELDYTBPCUQUDF-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357726 506524251 /nfs/dbraw/zinc/52/42/51/506524251.db2.gz GELDYTBPCUQUDF-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000593333526 506549585 /nfs/dbraw/zinc/54/95/85/506549585.db2.gz KBDIVLVXDSHKAM-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO C[C@H]1CCN(CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632901 /nfs/dbraw/zinc/63/29/01/506632901.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 1 3 373.541 3.011 20 0 FGADHO C[C@H]1CCN(CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632904 /nfs/dbraw/zinc/63/29/04/506632904.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 1 3 373.541 3.011 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608684897 506663534 /nfs/dbraw/zinc/66/35/34/506663534.db2.gz BHJRDLLFUMMRBX-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684897 506663545 /nfs/dbraw/zinc/66/35/45/506663545.db2.gz BHJRDLLFUMMRBX-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608684899 506663913 /nfs/dbraw/zinc/66/39/13/506663913.db2.gz BHJRDLLFUMMRBX-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684899 506663922 /nfs/dbraw/zinc/66/39/22/506663922.db2.gz BHJRDLLFUMMRBX-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177207 506738094 /nfs/dbraw/zinc/73/80/94/506738094.db2.gz ZSGLEWRRLJZJGM-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184568 506741227 /nfs/dbraw/zinc/74/12/27/506741227.db2.gz XSBVKBVDOZYUBN-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184568 506741229 /nfs/dbraw/zinc/74/12/29/506741229.db2.gz XSBVKBVDOZYUBN-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO [NH3+]CCc1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000583507288 506817592 /nfs/dbraw/zinc/81/75/92/506817592.db2.gz MFEXHWABWBVAMP-UHFFFAOYSA-N 1 3 369.534 3.031 20 0 FGADHO C[C@@H](CNCCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000583625798 506884065 /nfs/dbraw/zinc/88/40/65/506884065.db2.gz NMCRXYKIGFGYKW-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CN1CCCC1 ZINC000583625798 506884072 /nfs/dbraw/zinc/88/40/72/506884072.db2.gz NMCRXYKIGFGYKW-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C ZINC000604776360 506939996 /nfs/dbraw/zinc/93/99/96/506939996.db2.gz HEZUZPLJGQVREH-FQEVSTJZSA-N 1 3 374.573 3.100 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782090 506941935 /nfs/dbraw/zinc/94/19/35/506941935.db2.gz FPXVZMWLHQCZNY-RLLQIKCJSA-N 1 3 374.573 3.488 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286662 507063541 /nfs/dbraw/zinc/06/35/41/507063541.db2.gz VWZZEQYXVRXDCQ-PMACEKPBSA-N 1 3 364.578 3.157 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000613491362 507117258 /nfs/dbraw/zinc/11/72/58/507117258.db2.gz PAUZJCZNIOMDAL-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000613491362 507117263 /nfs/dbraw/zinc/11/72/63/507117263.db2.gz PAUZJCZNIOMDAL-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCCCC1 ZINC000591108602 507118892 /nfs/dbraw/zinc/11/88/92/507118892.db2.gz LXZUUVPZQPEOHB-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO CC(C)[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000591136773 507129477 /nfs/dbraw/zinc/12/94/77/507129477.db2.gz ZKUUFZZPCXKOSF-HSALFYBXSA-N 1 3 351.579 3.371 20 0 FGADHO CC(C)[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000591136773 507129481 /nfs/dbraw/zinc/12/94/81/507129481.db2.gz ZKUUFZZPCXKOSF-HSALFYBXSA-N 1 3 351.579 3.371 20 0 FGADHO c1ccc2c(CNCc3ccc(OCC[NH+]4CCCC4)cc3)n[nH]c2c1 ZINC000600812498 507131516 /nfs/dbraw/zinc/13/15/16/507131516.db2.gz VHJDIWLLGGIGIZ-UHFFFAOYSA-N 1 3 350.466 3.327 20 0 FGADHO c1ccc2c(c1)n[nH]c2CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000600812498 507131527 /nfs/dbraw/zinc/13/15/27/507131527.db2.gz VHJDIWLLGGIGIZ-UHFFFAOYSA-N 1 3 350.466 3.327 20 0 FGADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1cccc(OC)c1 ZINC000584061573 507131757 /nfs/dbraw/zinc/13/17/57/507131757.db2.gz OUQAQTXEOKFPMQ-UHFFFAOYSA-N 1 3 373.541 3.244 20 0 FGADHO COC[C@@](C)(O)CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087381 507144019 /nfs/dbraw/zinc/14/40/19/507144019.db2.gz XAHKNLMGKCEXKT-SFTDATJTSA-N 1 3 366.521 3.366 20 0 FGADHO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000605401802 507178544 /nfs/dbraw/zinc/17/85/44/507178544.db2.gz MOSJIXPTCXSJJK-UHFFFAOYSA-N 1 3 366.509 3.441 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591423165 507244469 /nfs/dbraw/zinc/24/44/69/507244469.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591423165 507244474 /nfs/dbraw/zinc/24/44/74/507244474.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 1 3 373.541 3.154 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000605988580 507319155 /nfs/dbraw/zinc/31/91/55/507319155.db2.gz NXAAWXZTFBJGOF-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000605988580 507319165 /nfs/dbraw/zinc/31/91/65/507319165.db2.gz NXAAWXZTFBJGOF-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000601285104 507321012 /nfs/dbraw/zinc/32/10/12/507321012.db2.gz ZIBILFNKTFNLRM-IBGZPJMESA-N 1 3 352.567 3.062 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595009129 507351777 /nfs/dbraw/zinc/35/17/77/507351777.db2.gz DNRQFMUCFIBURO-KRWDZBQOSA-N 1 3 353.551 3.005 20 0 FGADHO COc1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496567 507376642 /nfs/dbraw/zinc/37/66/42/507376642.db2.gz JFTVCFCSRZQWQN-HOTGVXAUSA-N 1 3 350.503 3.257 20 0 FGADHO COC(=O)c1csc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000595069978 507378342 /nfs/dbraw/zinc/37/83/42/507378342.db2.gz UGJVGTRWDNTUHH-OAHLLOKOSA-N 1 3 373.522 3.493 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c(C)c2)CC1 ZINC000584527550 507395927 /nfs/dbraw/zinc/39/59/27/507395927.db2.gz RUOIZBISPWODND-LJQANCHMSA-N 1 3 360.546 3.100 20 0 FGADHO FC(F)C(F)(F)COCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450768 /nfs/dbraw/zinc/45/07/68/507450768.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 1 3 374.422 3.357 20 0 FGADHO FC(F)C(F)(F)COCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450772 /nfs/dbraw/zinc/45/07/72/507450772.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 1 3 374.422 3.357 20 0 FGADHO CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623231 507456047 /nfs/dbraw/zinc/45/60/47/507456047.db2.gz DKYCXPINIZYREW-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623231 507456054 /nfs/dbraw/zinc/45/60/54/507456054.db2.gz DKYCXPINIZYREW-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623231 507456059 /nfs/dbraw/zinc/45/60/59/507456059.db2.gz DKYCXPINIZYREW-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000606681644 507477847 /nfs/dbraw/zinc/47/78/47/507477847.db2.gz KEZDDCLVEVMHOF-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000606681644 507477859 /nfs/dbraw/zinc/47/78/59/507477859.db2.gz KEZDDCLVEVMHOF-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690750 507482628 /nfs/dbraw/zinc/48/26/28/507482628.db2.gz LMLQZOOZRKTTTM-NQIIRXRSSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690752 507483274 /nfs/dbraw/zinc/48/32/74/507483274.db2.gz LMLQZOOZRKTTTM-WIYYLYMNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542093 /nfs/dbraw/zinc/54/20/93/507542093.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542097 /nfs/dbraw/zinc/54/20/97/507542097.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000584865922 507547168 /nfs/dbraw/zinc/54/71/68/507547168.db2.gz LLQWDLCTWSQFCD-SFHVURJKSA-N 1 3 351.510 3.072 20 0 FGADHO CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1F ZINC000584865922 507547173 /nfs/dbraw/zinc/54/71/73/507547173.db2.gz LLQWDLCTWSQFCD-SFHVURJKSA-N 1 3 351.510 3.072 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000595657237 507617131 /nfs/dbraw/zinc/61/71/31/507617131.db2.gz CLCQGEJWLSXOQD-WOJBJXKFSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000595657237 507617134 /nfs/dbraw/zinc/61/71/34/507617134.db2.gz CLCQGEJWLSXOQD-WOJBJXKFSA-N 1 3 360.546 3.243 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125426 507623319 /nfs/dbraw/zinc/62/33/19/507623319.db2.gz PMDXCFWVUACQKA-RXVVDRJESA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125426 507623321 /nfs/dbraw/zinc/62/33/21/507623321.db2.gz PMDXCFWVUACQKA-RXVVDRJESA-N 1 3 357.542 3.230 20 0 FGADHO c1ccc(-c2ccc(NCC[NH2+]C3CCN(CC4CC4)CC3)nn2)cc1 ZINC000532463573 562478783 /nfs/dbraw/zinc/47/87/83/562478783.db2.gz SSOLXWNKOURHCP-UHFFFAOYSA-N 1 3 351.498 3.020 20 0 FGADHO O=C(C[C@@H]1CC[NH2+]C1)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390792600 568239803 /nfs/dbraw/zinc/23/98/03/568239803.db2.gz XLQCNNXMMTZAPG-QFIPXVFZSA-N 1 3 365.521 3.195 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825413059 608495204 /nfs/dbraw/zinc/49/52/04/608495204.db2.gz WZIWYLSVWSPLFF-DNVCBOLYSA-N 1 3 356.518 3.344 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825413059 608495205 /nfs/dbraw/zinc/49/52/05/608495205.db2.gz WZIWYLSVWSPLFF-DNVCBOLYSA-N 1 3 356.518 3.344 20 0 FGADHO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824953278 609133419 /nfs/dbraw/zinc/13/34/19/609133419.db2.gz DDELSBINVKMZNI-HNNXBMFYSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824953278 609133420 /nfs/dbraw/zinc/13/34/20/609133420.db2.gz DDELSBINVKMZNI-HNNXBMFYSA-N 1 3 360.481 3.169 20 0 FGADHO CN1CCC[N@H+](CCCNCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000119096237 700619984 /nfs/dbraw/zinc/61/99/84/700619984.db2.gz UGUPKKMNJOZPPW-UHFFFAOYSA-N 1 3 363.855 3.476 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000119096237 700619985 /nfs/dbraw/zinc/61/99/85/700619985.db2.gz UGUPKKMNJOZPPW-UHFFFAOYSA-N 1 3 363.855 3.476 20 0 FGADHO CN(C[C@H]1CCC[N@H+](CCCN2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161308061 705273303 /nfs/dbraw/zinc/27/33/03/705273303.db2.gz OQONPMBUWRZLNW-GOSISDBHSA-N 1 3 353.551 3.441 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161308061 705273309 /nfs/dbraw/zinc/27/33/09/705273309.db2.gz OQONPMBUWRZLNW-GOSISDBHSA-N 1 3 353.551 3.441 20 0 FGADHO C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000177552537 705627593 /nfs/dbraw/zinc/62/75/93/705627593.db2.gz UQQNWFCUMCSZBX-QGZVFWFLSA-N 1 3 353.551 3.345 20 0 FGADHO C[C@@H]1CCCCN1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549939 705627773 /nfs/dbraw/zinc/62/77/73/705627773.db2.gz MJMPTVCVPKGVQL-QGZVFWFLSA-N 1 3 353.551 3.488 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1CN1CCCCC1 ZINC000183069599 705875979 /nfs/dbraw/zinc/87/59/79/705875979.db2.gz ZKFXAQUXLSLJOI-UZLBHIALSA-N 1 3 364.555 3.200 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029380 713717535 /nfs/dbraw/zinc/71/75/35/713717535.db2.gz NWNDDUYAAQKYJJ-GOSISDBHSA-N 1 3 364.917 3.473 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1C ZINC000525758908 714375820 /nfs/dbraw/zinc/37/58/20/714375820.db2.gz SFFJLVZFJFJOJA-OLMNPRSZSA-N 1 3 352.906 3.470 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000562992735 714438619 /nfs/dbraw/zinc/43/86/19/714438619.db2.gz WXUNOZDTJRPVBJ-GOSISDBHSA-N 1 3 366.933 3.385 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624096060 715471266 /nfs/dbraw/zinc/47/12/66/715471266.db2.gz SFRJGQNJUVCCFG-WDSOQIARSA-N 1 3 351.485 3.216 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624121252 715477679 /nfs/dbraw/zinc/47/76/79/715477679.db2.gz RFQQIFRFBBKHSC-IAGOWNOFSA-N 1 3 350.503 3.103 20 0 FGADHO [NH3+]CCCOCCNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000629399481 716282291 /nfs/dbraw/zinc/28/22/91/716282291.db2.gz HQGUIGGGTWCEKT-UHFFFAOYSA-N 1 3 370.316 3.028 20 0 FGADHO C[NH2+]CCOCCN[C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000629528786 716303515 /nfs/dbraw/zinc/30/35/15/716303515.db2.gz JCPFZRUPQFUJIA-LBPRGKRZSA-N 1 3 371.312 3.374 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639041517 717507793 /nfs/dbraw/zinc/50/77/93/717507793.db2.gz LXZOPYGAOLXJQE-UKRRQHHQSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639041517 717507795 /nfs/dbraw/zinc/50/77/95/717507795.db2.gz LXZOPYGAOLXJQE-UKRRQHHQSA-N 1 3 368.319 3.158 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(Br)c1 ZINC000644569545 718126872 /nfs/dbraw/zinc/12/68/72/718126872.db2.gz WXDQAYWZUSOICZ-OAHLLOKOSA-N 1 3 368.319 3.242 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583764 718128345 /nfs/dbraw/zinc/12/83/45/718128345.db2.gz AOMLZLKFMSFORV-ZBFHGGJFSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583764 718128350 /nfs/dbraw/zinc/12/83/50/718128350.db2.gz AOMLZLKFMSFORV-ZBFHGGJFSA-N 1 3 368.319 3.240 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976583 718391476 /nfs/dbraw/zinc/39/14/76/718391476.db2.gz QKBZMBZDXCCNJF-GVDBMIGSSA-N 1 3 361.555 3.447 20 0 FGADHO CN(Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648586028 718438256 /nfs/dbraw/zinc/43/82/56/718438256.db2.gz VJIURSRBXBSJBY-KRWDZBQOSA-N 1 3 362.905 3.082 20 0 FGADHO CN(Cc1cc2cc(Cl)cnc2o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648586028 718438258 /nfs/dbraw/zinc/43/82/58/718438258.db2.gz VJIURSRBXBSJBY-KRWDZBQOSA-N 1 3 362.905 3.082 20 0 FGADHO O=C(CN1CCC12CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649657558 718545853 /nfs/dbraw/zinc/54/58/53/718545853.db2.gz DSQNQAMDLQQMDO-UHFFFAOYSA-N 1 3 359.539 3.192 20 0 FGADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723675 718721358 /nfs/dbraw/zinc/72/13/58/718721358.db2.gz RPFFIEOXYNZTKP-GVDBMIGSSA-N 1 3 350.528 3.278 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650758413 718724750 /nfs/dbraw/zinc/72/47/50/718724750.db2.gz PDGISFQILDWFAA-HNNXBMFYSA-N 1 3 361.511 3.018 20 0 FGADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000651206932 718782790 /nfs/dbraw/zinc/78/27/90/718782790.db2.gz BTIZKITYTGTBRQ-OAHLLOKOSA-N 1 3 363.933 3.118 20 0 FGADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000652352228 718935824 /nfs/dbraw/zinc/93/58/24/718935824.db2.gz VEZRPFOHRIRCSG-YOEHRIQHSA-N 1 3 355.404 3.095 20 0 FGADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000652352228 718935826 /nfs/dbraw/zinc/93/58/26/718935826.db2.gz VEZRPFOHRIRCSG-YOEHRIQHSA-N 1 3 355.404 3.095 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655805330 719342130 /nfs/dbraw/zinc/34/21/30/719342130.db2.gz LWISIRQJMAYUHA-BWPNAZKDSA-N 1 3 364.555 3.010 20 0 FGADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657594897 719681006 /nfs/dbraw/zinc/68/10/06/719681006.db2.gz KSFKJMUPDXGAKL-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657594897 719681007 /nfs/dbraw/zinc/68/10/07/719681007.db2.gz KSFKJMUPDXGAKL-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO FC1(F)C[C@@H]1OCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660149008 719997417 /nfs/dbraw/zinc/99/74/17/719997417.db2.gz GAQWUSFUZDASEF-SFHVURJKSA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@@H]1OCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660149008 719997418 /nfs/dbraw/zinc/99/74/18/719997418.db2.gz GAQWUSFUZDASEF-SFHVURJKSA-N 1 3 350.453 3.399 20 0 FGADHO Clc1ccc(O[C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257483 720405326 /nfs/dbraw/zinc/40/53/26/720405326.db2.gz CZWRCBZHBYTPDY-HUUCEWRRSA-N 1 3 371.308 3.358 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000664313769 720623002 /nfs/dbraw/zinc/62/30/02/720623002.db2.gz CQGFKMIGBIXQJG-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000664313769 720623006 /nfs/dbraw/zinc/62/30/06/720623006.db2.gz CQGFKMIGBIXQJG-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583614 721468939 /nfs/dbraw/zinc/46/89/39/721468939.db2.gz HEEUQYJXUNIOEX-QGZVFWFLSA-N 1 3 366.937 3.246 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670136242 721519219 /nfs/dbraw/zinc/51/92/19/721519219.db2.gz SHTMOXTVEJRQJJ-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293978 722412916 /nfs/dbraw/zinc/41/29/16/722412916.db2.gz XDKQWEBRQQFONT-TZNCUMHOSA-N 1 3 351.535 3.094 20 0 FGADHO CCCCCCN(C)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872396 722478766 /nfs/dbraw/zinc/47/87/66/722478766.db2.gz IAQUITUBMKGNGW-FQEVSTJZSA-N 1 3 351.579 3.469 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766274860 723565784 /nfs/dbraw/zinc/56/57/84/723565784.db2.gz WMUFKLYKBFFCBH-KBPBESRZSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766274860 723565785 /nfs/dbraw/zinc/56/57/85/723565785.db2.gz WMUFKLYKBFFCBH-KBPBESRZSA-N 1 3 357.420 3.496 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)CN1CCCC1 ZINC000775377904 723986455 /nfs/dbraw/zinc/98/64/55/723986455.db2.gz FMBJPCLQAWMJSW-WMLDXEAASA-N 1 3 356.482 3.425 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CN1CCCC1 ZINC000788548699 725072043 /nfs/dbraw/zinc/07/20/43/725072043.db2.gz SIOOGOLXDMAFET-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000809717363 725262135 /nfs/dbraw/zinc/26/21/35/725262135.db2.gz GPIVIHPJELJDSK-UYTYNIKBSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000809717363 725262137 /nfs/dbraw/zinc/26/21/37/725262137.db2.gz GPIVIHPJELJDSK-UYTYNIKBSA-N 1 3 351.535 3.237 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755556 725265546 /nfs/dbraw/zinc/26/55/46/725265546.db2.gz KLOJVLPMTHOLBU-HNNXBMFYSA-N 1 3 361.921 3.094 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165010 725294105 /nfs/dbraw/zinc/29/41/05/725294105.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 1 3 353.526 3.063 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165010 725294108 /nfs/dbraw/zinc/29/41/08/725294108.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 1 3 353.526 3.063 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000817916974 727287738 /nfs/dbraw/zinc/28/77/38/727287738.db2.gz CAYCUXDNJVXZIE-GLUANWCPSA-N 1 3 351.853 3.414 20 0 FGADHO C[NH+](C)CC[C@H](NC[C@@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083239 727345829 /nfs/dbraw/zinc/34/58/29/727345829.db2.gz YJVBTXKJASAUOH-CVEARBPZSA-N 1 3 357.336 3.439 20 0 FGADHO Cc1ccc(CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C)s1 ZINC000820068673 728964872 /nfs/dbraw/zinc/96/48/72/728964872.db2.gz NMDVGSVLWZEETL-INIZCTEOSA-N 1 3 368.591 3.249 20 0 FGADHO Cc1ccc(CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C)s1 ZINC000820068673 728964877 /nfs/dbraw/zinc/96/48/77/728964877.db2.gz NMDVGSVLWZEETL-INIZCTEOSA-N 1 3 368.591 3.249 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831769628 729666593 /nfs/dbraw/zinc/66/65/93/729666593.db2.gz UEKQBQYYKANYMR-CZUORRHYSA-N 1 3 354.926 3.060 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399558 730614912 /nfs/dbraw/zinc/61/49/12/730614912.db2.gz KYYOJDWVIUMLJM-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399558 730614918 /nfs/dbraw/zinc/61/49/18/730614918.db2.gz KYYOJDWVIUMLJM-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399558 730614925 /nfs/dbraw/zinc/61/49/25/730614925.db2.gz KYYOJDWVIUMLJM-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)N(CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C(C)C ZINC000849053878 731224752 /nfs/dbraw/zinc/22/47/52/731224752.db2.gz UCTYCYXOIUIDTC-UHFFFAOYSA-N 1 3 365.953 3.105 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cc1CN1CCCCC1 ZINC000866442214 733350297 /nfs/dbraw/zinc/35/02/97/733350297.db2.gz HCTWTUJHXLAWIV-PBHICJAKSA-N 1 3 356.457 3.348 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000876722808 736136133 /nfs/dbraw/zinc/13/61/33/736136133.db2.gz FNHXDZYWUWBXTI-GJZGRUSLSA-N 1 3 371.428 3.186 20 0 FGADHO Nc1c(Cl)cccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876875156 736156907 /nfs/dbraw/zinc/15/69/07/736156907.db2.gz QMGKPTRCMQMVNY-UHFFFAOYSA-N 1 3 359.901 3.169 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1(C)C ZINC000877499405 736672751 /nfs/dbraw/zinc/67/27/51/736672751.db2.gz PBXFFRHQTHMWPV-UHFFFAOYSA-N 1 3 352.935 3.065 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794292 743776160 /nfs/dbraw/zinc/77/61/60/743776160.db2.gz UZRNJQLUUHNFSD-RYUDHWBXSA-N 1 3 363.449 3.005 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091874 743803752 /nfs/dbraw/zinc/80/37/52/743803752.db2.gz BRQHJJWIYSYPHK-WOJBJXKFSA-N 1 3 364.917 3.090 20 0 FGADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903955237 743904863 /nfs/dbraw/zinc/90/48/63/743904863.db2.gz NMVLYXDECUNFCS-LBPRGKRZSA-N 1 3 370.241 3.332 20 0 FGADHO [NH3+]CCC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925581869 759509230 /nfs/dbraw/zinc/50/92/30/759509230.db2.gz WRNDYIXWHKXFOI-CQSZACIVSA-N 1 3 351.372 3.112 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657369 759519435 /nfs/dbraw/zinc/51/94/35/759519435.db2.gz OBTKWTHJEVJQMM-BPSIQINWSA-N 1 3 364.331 3.146 20 0 FGADHO c1ccc2c(c1)SCC[C@H]2NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925808019 759546958 /nfs/dbraw/zinc/54/69/58/759546958.db2.gz JHCKDDRAZDHLPS-HXUWFJFHSA-N 1 3 353.535 3.419 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000927157830 759909312 /nfs/dbraw/zinc/90/93/12/759909312.db2.gz XVEVXEBVZMDAAM-ZWKOTPCHSA-N 1 3 352.563 3.185 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000969707567 762861509 /nfs/dbraw/zinc/86/15/09/762861509.db2.gz BLVKQFCZTKFDES-ZOCIIQOWSA-N 1 3 363.571 3.032 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000969707567 762861516 /nfs/dbraw/zinc/86/15/16/762861516.db2.gz BLVKQFCZTKFDES-ZOCIIQOWSA-N 1 3 363.571 3.032 20 0 FGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560737 762912541 /nfs/dbraw/zinc/91/25/41/762912541.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 1 3 363.933 3.021 20 0 FGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560737 762912543 /nfs/dbraw/zinc/91/25/43/762912543.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 1 3 363.933 3.021 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971568163 762914113 /nfs/dbraw/zinc/91/41/13/762914113.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971568163 762914114 /nfs/dbraw/zinc/91/41/14/762914114.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028552164 766124444 /nfs/dbraw/zinc/12/44/44/766124444.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028552164 766124448 /nfs/dbraw/zinc/12/44/48/766124448.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 1 3 363.933 3.008 20 0 FGADHO CC1CC[NH+](CC2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)CC1 ZINC000359955370 210199247 /nfs/dbraw/zinc/19/92/47/210199247.db2.gz HUPHBTDSPQZBAB-UHFFFAOYSA-N 1 3 357.542 3.332 20 0 FGADHO COc1cccc(NC(=[NH2+])NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000376717640 257498014 /nfs/dbraw/zinc/49/80/14/257498014.db2.gz SGTJYNYEOKIQKW-UHFFFAOYSA-N 1 3 368.481 3.305 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000567983129 505590180 /nfs/dbraw/zinc/59/01/80/505590180.db2.gz QXBFAJIOJDZQPR-FXAWDEMLSA-N 1 3 371.550 3.323 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867310 505599269 /nfs/dbraw/zinc/59/92/69/505599269.db2.gz QURDMYRZGQRZEJ-IEBWSBKVSA-N 1 3 354.498 3.166 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000570943252 505617740 /nfs/dbraw/zinc/61/77/40/505617740.db2.gz RMORGSRXXSQAFD-YSIASYRMSA-N 1 3 373.541 3.211 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1 ZINC000576985498 505638720 /nfs/dbraw/zinc/63/87/20/505638720.db2.gz CMVXMMJMDMOISS-FDDCHVKYSA-N 1 3 365.521 3.163 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000568188809 505638881 /nfs/dbraw/zinc/63/88/81/505638881.db2.gz SHKMFTYKTIXLIK-FQEVSTJZSA-N 1 3 369.553 3.029 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902456 505647927 /nfs/dbraw/zinc/64/79/27/505647927.db2.gz VXTSTAGVBQPCSI-QUCCMNQESA-N 1 3 374.916 3.244 20 0 FGADHO CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885839 493790313 /nfs/dbraw/zinc/79/03/13/493790313.db2.gz HVXIWAGMRALQOJ-OAQYLSRUSA-N 1 3 359.558 3.237 20 0 FGADHO CC[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759423 493985592 /nfs/dbraw/zinc/98/55/92/493985592.db2.gz WWPRRDLOZCJQLI-SFHVURJKSA-N 1 3 372.557 3.038 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000062252870 494007916 /nfs/dbraw/zinc/00/79/16/494007916.db2.gz XWYMZLGBWIWPGO-STQMWFEESA-N 1 3 361.349 3.490 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203212 494032909 /nfs/dbraw/zinc/03/29/09/494032909.db2.gz VSQQVUVQWWPQQQ-INIZCTEOSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203212 494032912 /nfs/dbraw/zinc/03/29/12/494032912.db2.gz VSQQVUVQWWPQQQ-INIZCTEOSA-N 1 3 357.502 3.048 20 0 FGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574150363 505705461 /nfs/dbraw/zinc/70/54/61/505705461.db2.gz AAZLCFLFIREVSN-FQEVSTJZSA-N 1 3 357.473 3.196 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000065467324 494200366 /nfs/dbraw/zinc/20/03/66/494200366.db2.gz WXAZGVOSOBHVAR-SFHVURJKSA-N 1 3 360.546 3.206 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000065470013 494201726 /nfs/dbraw/zinc/20/17/26/494201726.db2.gz NUKZPZXJMLLCGB-FQEVSTJZSA-N 1 3 360.546 3.019 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2csc(C)n2)CC1 ZINC000088678186 494255715 /nfs/dbraw/zinc/25/57/15/494255715.db2.gz YCWCINASCZGXOU-UHFFFAOYSA-N 1 3 358.555 3.316 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268771 /nfs/dbraw/zinc/26/87/71/494268771.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268774 /nfs/dbraw/zinc/26/87/74/494268774.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000073643263 494406410 /nfs/dbraw/zinc/40/64/10/494406410.db2.gz WDOYYYDLIIBYHG-UHFFFAOYSA-N 1 3 357.498 3.298 20 0 FGADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224105 494422200 /nfs/dbraw/zinc/42/22/00/494422200.db2.gz JIZRCSYUYAMRIY-KRWDZBQOSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038803 494432599 /nfs/dbraw/zinc/43/25/99/494432599.db2.gz IEXHNZFLPYVGMJ-ROUUACIJSA-N 1 3 353.510 3.260 20 0 FGADHO CSC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000090112998 494443699 /nfs/dbraw/zinc/44/36/99/494443699.db2.gz MYLQLYSJYHMVRR-INIZCTEOSA-N 1 3 352.544 3.190 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960854 494446481 /nfs/dbraw/zinc/44/64/81/494446481.db2.gz ZVRCNSRWHFMNID-IBGZPJMESA-N 1 3 371.569 3.404 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960854 494446487 /nfs/dbraw/zinc/44/64/87/494446487.db2.gz ZVRCNSRWHFMNID-IBGZPJMESA-N 1 3 371.569 3.404 20 0 FGADHO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(OCCN(C)C)cc1 ZINC000090408558 494463034 /nfs/dbraw/zinc/46/30/34/494463034.db2.gz ZMOXMMVSGYQHFP-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000090655034 494491033 /nfs/dbraw/zinc/49/10/33/494491033.db2.gz ODKFMSGVBJRGEF-NJNPRVFISA-N 1 3 356.510 3.270 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000074194276 494495103 /nfs/dbraw/zinc/49/51/03/494495103.db2.gz ULZOMBAVDYIJTC-UHFFFAOYSA-N 1 3 357.498 3.439 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338945 494517518 /nfs/dbraw/zinc/51/75/18/494517518.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000046338945 494517520 /nfs/dbraw/zinc/51/75/20/494517520.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 1 3 372.557 3.167 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523323 494519790 /nfs/dbraw/zinc/51/97/90/494519790.db2.gz JTUBRJOVBOVZHC-ROUUACIJSA-N 1 3 359.558 3.478 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000067452704 494544266 /nfs/dbraw/zinc/54/42/66/494544266.db2.gz XWYMZLGBWIWPGO-BETUJISGSA-N 1 3 361.349 3.490 20 0 FGADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000580298934 505727031 /nfs/dbraw/zinc/72/70/31/505727031.db2.gz MVZKTPXVEJQKCK-UHFFFAOYSA-N 1 3 374.529 3.335 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369046 494588563 /nfs/dbraw/zinc/58/85/63/494588563.db2.gz MOWYDJDRMJAVGU-UKRRQHHQSA-N 1 3 352.910 3.234 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107834322 494608285 /nfs/dbraw/zinc/60/82/85/494608285.db2.gz JQENCAGHMIWAES-ZVDOUQERSA-N 1 3 374.573 3.347 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107834322 494608290 /nfs/dbraw/zinc/60/82/90/494608290.db2.gz JQENCAGHMIWAES-ZVDOUQERSA-N 1 3 374.573 3.347 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000115789718 494621120 /nfs/dbraw/zinc/62/11/20/494621120.db2.gz DQPQWOUVBHKWHW-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO CC(C)(C)NC(=O)CN1CCC(CNc2cc[nH+]c3ccccc23)CC1 ZINC000080267332 494658694 /nfs/dbraw/zinc/65/86/94/494658694.db2.gz RFZQTFZBFNDXHH-UHFFFAOYSA-N 1 3 354.498 3.273 20 0 FGADHO CC[C@@H]1C[C@H](C)CN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022648 494675465 /nfs/dbraw/zinc/67/54/65/494675465.db2.gz KLXIDJYUNXKABF-LAUBAEHRSA-N 1 3 357.542 3.196 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200297 494705229 /nfs/dbraw/zinc/70/52/29/494705229.db2.gz KOZKPNBDPKFUFR-QGZVFWFLSA-N 1 3 369.509 3.489 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200297 494705236 /nfs/dbraw/zinc/70/52/36/494705236.db2.gz KOZKPNBDPKFUFR-QGZVFWFLSA-N 1 3 369.509 3.489 20 0 FGADHO Cc1ccccc1[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000116184492 494724834 /nfs/dbraw/zinc/72/48/34/494724834.db2.gz NUXCCQCNGDQGLW-SFHVURJKSA-N 1 3 357.542 3.163 20 0 FGADHO C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821427 494764473 /nfs/dbraw/zinc/76/44/73/494764473.db2.gz XXMNYDXYYOAGFV-GHTZIAJQSA-N 1 3 372.557 3.315 20 0 FGADHO C[C@@H](CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000131915264 494771490 /nfs/dbraw/zinc/77/14/90/494771490.db2.gz DPWVYEZDVVPJTI-SFHVURJKSA-N 1 3 357.542 3.245 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000132074134 494813252 /nfs/dbraw/zinc/81/32/52/494813252.db2.gz HKLOLYBOOKSHEV-RXVVDRJESA-N 1 3 372.557 3.213 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000127945927 495020559 /nfs/dbraw/zinc/02/05/59/495020559.db2.gz VTMDOUDKKPQIHG-GIVPXCGWSA-N 1 3 374.573 3.441 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000127945927 495020563 /nfs/dbraw/zinc/02/05/63/495020563.db2.gz VTMDOUDKKPQIHG-GIVPXCGWSA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccc(C)c([C@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000133651540 495041166 /nfs/dbraw/zinc/04/11/66/495041166.db2.gz NYTVHYXNJATDPH-OAQYLSRUSA-N 1 3 355.526 3.183 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000111800816 495112535 /nfs/dbraw/zinc/11/25/35/495112535.db2.gz XXZMTJDEOUVCPL-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000111801061 495113164 /nfs/dbraw/zinc/11/31/64/495113164.db2.gz RUJNHWSYGGBBTO-QGZVFWFLSA-N 1 3 364.559 3.057 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111875359 495123542 /nfs/dbraw/zinc/12/35/42/495123542.db2.gz QSXDSCCEYNECKO-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401569 495127017 /nfs/dbraw/zinc/12/70/17/495127017.db2.gz GMPBOLXWQCHJOS-IRXDYDNUSA-N 1 3 363.521 3.445 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123713725 495175211 /nfs/dbraw/zinc/17/52/11/495175211.db2.gz MHGOGSVOZBZZGM-GCJKJVERSA-N 1 3 352.526 3.143 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124511932 495299875 /nfs/dbraw/zinc/29/98/75/495299875.db2.gz LHOJOVFUJMJGCQ-HLIPFELVSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124511932 495299877 /nfs/dbraw/zinc/29/98/77/495299877.db2.gz LHOJOVFUJMJGCQ-HLIPFELVSA-N 1 3 352.494 3.320 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768164 505773396 /nfs/dbraw/zinc/77/33/96/505773396.db2.gz IFEIIXBLJKDOCJ-DLBZAZTESA-N 1 3 367.331 3.357 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1F ZINC000124658693 495323164 /nfs/dbraw/zinc/32/31/64/495323164.db2.gz KSJAMLKFQIXLKO-KRWDZBQOSA-N 1 3 363.521 3.435 20 0 FGADHO COc1cccc(OCC[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000130091163 495339537 /nfs/dbraw/zinc/33/95/37/495339537.db2.gz XXGKVVWAZRBWBZ-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO COc1cccc(OCC[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000130091163 495339542 /nfs/dbraw/zinc/33/95/42/495339542.db2.gz XXGKVVWAZRBWBZ-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310020 495349222 /nfs/dbraw/zinc/34/92/22/495349222.db2.gz CKOJVFYYOMUIFO-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310020 495349225 /nfs/dbraw/zinc/34/92/25/495349225.db2.gz CKOJVFYYOMUIFO-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000105269538 495350603 /nfs/dbraw/zinc/35/06/03/495350603.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000105269538 495350605 /nfs/dbraw/zinc/35/06/05/495350605.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000130466089 495396365 /nfs/dbraw/zinc/39/63/65/495396365.db2.gz BEJZOMXUDMTHDY-DYESRHJHSA-N 1 3 371.525 3.412 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114786231 495424153 /nfs/dbraw/zinc/42/41/53/495424153.db2.gz MXFDFKFFSSPIAP-HXUWFJFHSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)N(C)C)cc1 ZINC000130771194 495442287 /nfs/dbraw/zinc/44/22/87/495442287.db2.gz MMEMOKZPNVBRQS-NRFANRHFSA-N 1 3 372.557 3.304 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386442 495526754 /nfs/dbraw/zinc/52/67/54/495526754.db2.gz KSLBKIRLCBTRTQ-KRWDZBQOSA-N 1 3 362.518 3.013 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386440 495526800 /nfs/dbraw/zinc/52/68/00/495526800.db2.gz KSLBKIRLCBTRTQ-QGZVFWFLSA-N 1 3 362.518 3.013 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362713 495534022 /nfs/dbraw/zinc/53/40/22/495534022.db2.gz NPDFUKVYEODCFC-ROUUACIJSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362713 495534026 /nfs/dbraw/zinc/53/40/26/495534026.db2.gz NPDFUKVYEODCFC-ROUUACIJSA-N 1 3 364.578 3.203 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154225292 495550021 /nfs/dbraw/zinc/55/00/21/495550021.db2.gz MHAFIQFSEITIGH-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154230868 495550999 /nfs/dbraw/zinc/55/09/99/495550999.db2.gz KHNOUYJOJWREEX-INIZCTEOSA-N 1 3 355.473 3.275 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000154239522 495553995 /nfs/dbraw/zinc/55/39/95/495553995.db2.gz NXNZMMSGDLZSET-GOSISDBHSA-N 1 3 353.938 3.417 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000158658959 495560982 /nfs/dbraw/zinc/56/09/82/495560982.db2.gz VJUIZTREECAMDH-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000154348740 495588478 /nfs/dbraw/zinc/58/84/78/495588478.db2.gz BHYUKUTXPUSROE-MRXNPFEDSA-N 1 3 355.473 3.275 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000568854179 505793528 /nfs/dbraw/zinc/79/35/28/505793528.db2.gz IBRMBIAKGUSBBW-UHFFFAOYSA-N 1 3 362.493 3.056 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000568854179 505793532 /nfs/dbraw/zinc/79/35/32/505793532.db2.gz IBRMBIAKGUSBBW-UHFFFAOYSA-N 1 3 362.493 3.056 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154495337 495634979 /nfs/dbraw/zinc/63/49/79/495634979.db2.gz XSNROTCBVZPCGP-IBGZPJMESA-N 1 3 369.557 3.249 20 0 FGADHO COCCCN1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159137868 495668240 /nfs/dbraw/zinc/66/82/40/495668240.db2.gz OUFBXFQEFFFALU-KRWDZBQOSA-N 1 3 356.514 3.332 20 0 FGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159137868 495668244 /nfs/dbraw/zinc/66/82/44/495668244.db2.gz OUFBXFQEFFFALU-KRWDZBQOSA-N 1 3 356.514 3.332 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000170979940 495676645 /nfs/dbraw/zinc/67/66/45/495676645.db2.gz MCYCLFHGDKVTET-LJQANCHMSA-N 1 3 369.553 3.171 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776338 495699031 /nfs/dbraw/zinc/69/90/31/495699031.db2.gz KLQCQOSZMOGIHO-HNAYVOBHSA-N 1 3 371.529 3.103 20 0 FGADHO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962692 495777202 /nfs/dbraw/zinc/77/72/02/495777202.db2.gz UTSMCAQSIYLEKD-IBGZPJMESA-N 1 3 374.573 3.015 20 0 FGADHO CCCNC(=O)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179921767 495784263 /nfs/dbraw/zinc/78/42/63/495784263.db2.gz LKOISUIJLMWTQK-UHFFFAOYSA-N 1 3 359.558 3.383 20 0 FGADHO CCCNC(=O)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179921767 495784265 /nfs/dbraw/zinc/78/42/65/495784265.db2.gz LKOISUIJLMWTQK-UHFFFAOYSA-N 1 3 359.558 3.383 20 0 FGADHO O=C(CC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566954 505804145 /nfs/dbraw/zinc/80/41/45/505804145.db2.gz VROYIOJGPAUFRD-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO O=C(CCNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566954 505804148 /nfs/dbraw/zinc/80/41/48/505804148.db2.gz VROYIOJGPAUFRD-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO O=C(CCNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566954 505804151 /nfs/dbraw/zinc/80/41/51/505804151.db2.gz VROYIOJGPAUFRD-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000580670051 505810453 /nfs/dbraw/zinc/81/04/53/505810453.db2.gz QJDZFQGPJDJYQU-GHTZIAJQSA-N 1 3 357.542 3.468 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000580670051 505810457 /nfs/dbraw/zinc/81/04/57/505810457.db2.gz QJDZFQGPJDJYQU-GHTZIAJQSA-N 1 3 357.542 3.468 20 0 FGADHO CC(C)C[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000155290739 495906355 /nfs/dbraw/zinc/90/63/55/495906355.db2.gz KFPWNTJOTLEHNP-GOSISDBHSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171575790 495932561 /nfs/dbraw/zinc/93/25/61/495932561.db2.gz JIEGNIDOWMDFSR-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000177181128 495963709 /nfs/dbraw/zinc/96/37/09/495963709.db2.gz SPFIRWAUIHVUHM-WIYYLYMNSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453652 495965931 /nfs/dbraw/zinc/96/59/31/495965931.db2.gz ZHWAWQLSNMQIHH-GIVPXCGWSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453652 495965935 /nfs/dbraw/zinc/96/59/35/495965935.db2.gz ZHWAWQLSNMQIHH-GIVPXCGWSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(OCCN(C)C)cc1 ZINC000186491001 496017682 /nfs/dbraw/zinc/01/76/82/496017682.db2.gz NHLQVZQCRODTBI-KRWDZBQOSA-N 1 3 366.509 3.407 20 0 FGADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000155664319 496028832 /nfs/dbraw/zinc/02/88/32/496028832.db2.gz BDFMRPRMBBZZLE-SFHVURJKSA-N 1 3 372.557 3.466 20 0 FGADHO Cc1cc(Cl)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000180644824 496083984 /nfs/dbraw/zinc/08/39/84/496083984.db2.gz VMSBKHLGFJNGHJ-UHFFFAOYSA-N 1 3 363.933 3.245 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)CC1 ZINC000156058520 496145976 /nfs/dbraw/zinc/14/59/76/496145976.db2.gz UFFGXWBCOIYTKY-FQEVSTJZSA-N 1 3 357.542 3.332 20 0 FGADHO CN(C)C(=O)[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000172084692 496158669 /nfs/dbraw/zinc/15/86/69/496158669.db2.gz OGPPWAWQNREDMM-JOCHJYFZSA-N 1 3 365.521 3.318 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1CCCCCC1 ZINC000172103252 496164448 /nfs/dbraw/zinc/16/44/48/496164448.db2.gz HNQKCLOLTXUQGN-IBGZPJMESA-N 1 3 357.542 3.074 20 0 FGADHO CN1c2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2CCC1=O ZINC000187103545 496294030 /nfs/dbraw/zinc/29/40/30/496294030.db2.gz IQBZTBRFWJHUGN-UHFFFAOYSA-N 1 3 363.505 3.481 20 0 FGADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)C[C@@H]3CSCCN3)ccc21 ZINC000571878392 505835837 /nfs/dbraw/zinc/83/58/37/505835837.db2.gz WDUJOYLTFDIVCK-GOSISDBHSA-N 1 3 374.554 3.017 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000181198751 496308638 /nfs/dbraw/zinc/30/86/38/496308638.db2.gz OFYCZPXHQCVNLS-UHFFFAOYSA-N 1 3 362.514 3.024 20 0 FGADHO CCOC(=O)COc1ccc(CCNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000181198751 496308642 /nfs/dbraw/zinc/30/86/42/496308642.db2.gz OFYCZPXHQCVNLS-UHFFFAOYSA-N 1 3 362.514 3.024 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cc(Cl)cs3)CC2)CC1 ZINC000172569365 496344443 /nfs/dbraw/zinc/34/44/43/496344443.db2.gz QBZOMCQTDSWOTD-UHFFFAOYSA-N 1 3 369.962 3.009 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1Cn1cccn1 ZINC000178256821 496389175 /nfs/dbraw/zinc/38/91/75/496389175.db2.gz DCXFHVMGZYELKT-QGZVFWFLSA-N 1 3 368.525 3.465 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869681 496425489 /nfs/dbraw/zinc/42/54/89/496425489.db2.gz BDAAQIQEBIMBNE-KGVIQGDOSA-N 1 3 364.537 3.463 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000162871216 496426113 /nfs/dbraw/zinc/42/61/13/496426113.db2.gz MPFHZTOMJPLNGG-AQNXPRMDSA-N 1 3 370.541 3.471 20 0 FGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181586001 496457616 /nfs/dbraw/zinc/45/76/16/496457616.db2.gz GARLKEJVWVKZJZ-BDTNDASRSA-N 1 3 371.569 3.382 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640617 496477801 /nfs/dbraw/zinc/47/78/01/496477801.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640617 496477803 /nfs/dbraw/zinc/47/78/03/496477803.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000184654826 496481034 /nfs/dbraw/zinc/48/10/34/496481034.db2.gz SUNVPILBESMJIK-MSOLQXFVSA-N 1 3 357.542 3.324 20 0 FGADHO CCCN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000163308202 496496157 /nfs/dbraw/zinc/49/61/57/496496157.db2.gz XVGHTSXHTKYRJD-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCCCCC1 ZINC000184744711 496515941 /nfs/dbraw/zinc/51/59/41/496515941.db2.gz OTBPOLCSJFAONY-RTBURBONSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](N)c1ccccc1 ZINC000178731424 496553667 /nfs/dbraw/zinc/55/36/67/496553667.db2.gz BRVHRRXXUOVGTL-AVRDEDQJSA-N 1 3 365.521 3.351 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000157907819 496582513 /nfs/dbraw/zinc/58/25/13/496582513.db2.gz GRACMIFPASIQII-RTWAWAEBSA-N 1 3 372.557 3.258 20 0 FGADHO CCc1ccc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175959634 496619065 /nfs/dbraw/zinc/61/90/65/496619065.db2.gz KDIQQBOJRXGDBZ-UHFFFAOYSA-N 1 3 371.569 3.201 20 0 FGADHO CC[C@H](C)Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175959697 496619404 /nfs/dbraw/zinc/61/94/04/496619404.db2.gz FTNDDDZSGGFQKV-KRWDZBQOSA-N 1 3 373.541 3.152 20 0 FGADHO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165316283 496655250 /nfs/dbraw/zinc/65/52/50/496655250.db2.gz SBKKNZRJWOKNDH-XZOQPEGZSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316283 496655256 /nfs/dbraw/zinc/65/52/56/496655256.db2.gz SBKKNZRJWOKNDH-XZOQPEGZSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165316283 496655262 /nfs/dbraw/zinc/65/52/62/496655262.db2.gz SBKKNZRJWOKNDH-XZOQPEGZSA-N 1 3 352.522 3.398 20 0 FGADHO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000165614448 496664560 /nfs/dbraw/zinc/66/45/60/496664560.db2.gz MSRKKWNSKBECBP-QGZVFWFLSA-N 1 3 369.509 3.479 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973322 496674500 /nfs/dbraw/zinc/67/45/00/496674500.db2.gz TWMBCZXPNFWNBF-HNAYVOBHSA-N 1 3 362.493 3.327 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCCS2 ZINC000188109997 496687425 /nfs/dbraw/zinc/68/74/25/496687425.db2.gz IKXLJDNBIPIEAI-IBGZPJMESA-N 1 3 363.571 3.238 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215202 496709720 /nfs/dbraw/zinc/70/97/20/496709720.db2.gz IZKUSQWKBQIBTK-QHAWAJNXSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215202 496709724 /nfs/dbraw/zinc/70/97/24/496709724.db2.gz IZKUSQWKBQIBTK-QHAWAJNXSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000185235141 496713315 /nfs/dbraw/zinc/71/33/15/496713315.db2.gz UYGLZCYLJPXGRS-LEWJYISDSA-N 1 3 360.542 3.325 20 0 FGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000185235174 496713502 /nfs/dbraw/zinc/71/35/02/496713502.db2.gz UYGLZCYLJPXGRS-NHCUHLMSSA-N 1 3 360.542 3.325 20 0 FGADHO CCS(=O)(=O)C[C@@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331489 496729998 /nfs/dbraw/zinc/72/99/98/496729998.db2.gz PIZIFUYJPDQZTO-QGZVFWFLSA-N 1 3 374.550 3.328 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCN1CC ZINC000247000575 496748462 /nfs/dbraw/zinc/74/84/62/496748462.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 1 3 357.542 3.231 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCN1CC ZINC000247000575 496748463 /nfs/dbraw/zinc/74/84/63/496748463.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 1 3 357.542 3.231 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049112 496763222 /nfs/dbraw/zinc/76/32/22/496763222.db2.gz NCVOCKZDCSRQAS-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049112 496763226 /nfs/dbraw/zinc/76/32/26/496763226.db2.gz NCVOCKZDCSRQAS-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049112 496763234 /nfs/dbraw/zinc/76/32/34/496763234.db2.gz NCVOCKZDCSRQAS-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748880 496772408 /nfs/dbraw/zinc/77/24/08/496772408.db2.gz GUQQNHDWJYHMIC-OXQOHEQNSA-N 1 3 352.482 3.320 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748880 496772414 /nfs/dbraw/zinc/77/24/14/496772414.db2.gz GUQQNHDWJYHMIC-OXQOHEQNSA-N 1 3 352.482 3.320 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767941 496780173 /nfs/dbraw/zinc/78/01/73/496780173.db2.gz COFXEWPKBHMVES-IOMROCGXSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767941 496780177 /nfs/dbraw/zinc/78/01/77/496780177.db2.gz COFXEWPKBHMVES-IOMROCGXSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793332 496788068 /nfs/dbraw/zinc/78/80/68/496788068.db2.gz NBNLKHDQMDGJEO-HKUYNNGSSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793332 496788069 /nfs/dbraw/zinc/78/80/69/496788069.db2.gz NBNLKHDQMDGJEO-HKUYNNGSSA-N 1 3 369.484 3.198 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268820745 496796012 /nfs/dbraw/zinc/79/60/12/496796012.db2.gz NUXSVIXOGQJDRO-MRXNPFEDSA-N 1 3 373.463 3.306 20 0 FGADHO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc2c1CCNC2 ZINC000578120549 505866941 /nfs/dbraw/zinc/86/69/41/505866941.db2.gz GLVXOPAFMQMWFE-UHFFFAOYSA-N 1 3 358.530 3.452 20 0 FGADHO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000191585048 496821500 /nfs/dbraw/zinc/82/15/00/496821500.db2.gz UTGRFLAPZSKNJW-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828402 /nfs/dbraw/zinc/82/84/02/496828402.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 1 3 362.493 3.144 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828405 /nfs/dbraw/zinc/82/84/05/496828405.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 1 3 362.493 3.144 20 0 FGADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000247486221 496869673 /nfs/dbraw/zinc/86/96/73/496869673.db2.gz KOFRCUQFJCHOKQ-SIKLNZKXSA-N 1 3 369.553 3.378 20 0 FGADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000247486221 496869677 /nfs/dbraw/zinc/86/96/77/496869677.db2.gz KOFRCUQFJCHOKQ-SIKLNZKXSA-N 1 3 369.553 3.378 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H](N)c1ccccc1 ZINC000269309329 496916470 /nfs/dbraw/zinc/91/64/70/496916470.db2.gz VPHVIFUWSDJPDI-UTKZUKDTSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@H](N)c1ccccc1 ZINC000269309329 496916475 /nfs/dbraw/zinc/91/64/75/496916475.db2.gz VPHVIFUWSDJPDI-UTKZUKDTSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155072 496965865 /nfs/dbraw/zinc/96/58/65/496965865.db2.gz RFWSYWOITGHKEE-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155072 496965871 /nfs/dbraw/zinc/96/58/71/496965871.db2.gz RFWSYWOITGHKEE-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176815 496968821 /nfs/dbraw/zinc/96/88/21/496968821.db2.gz VSXYNODMGHWCIA-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176815 496968824 /nfs/dbraw/zinc/96/88/24/496968824.db2.gz VSXYNODMGHWCIA-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403325 496998870 /nfs/dbraw/zinc/99/88/70/496998870.db2.gz OMNAKIGIJQXZPK-LDVJMBRRSA-N 1 3 372.553 3.320 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433632 497010659 /nfs/dbraw/zinc/01/06/59/497010659.db2.gz DITZSQBXVNUZME-MSOLQXFVSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433632 497010663 /nfs/dbraw/zinc/01/06/63/497010663.db2.gz DITZSQBXVNUZME-MSOLQXFVSA-N 1 3 357.523 3.185 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000569235871 505886412 /nfs/dbraw/zinc/88/64/12/505886412.db2.gz REUJEGRJCLLVMB-LJQANCHMSA-N 1 3 367.493 3.088 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569235871 505886415 /nfs/dbraw/zinc/88/64/15/505886415.db2.gz REUJEGRJCLLVMB-LJQANCHMSA-N 1 3 367.493 3.088 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000236802017 497147615 /nfs/dbraw/zinc/14/76/15/497147615.db2.gz LOYGTDUZIJUKSU-YADHBBJMSA-N 1 3 359.558 3.249 20 0 FGADHO O=C(C1CC[NH+](C2CC2)CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000278574469 497156370 /nfs/dbraw/zinc/15/63/70/497156370.db2.gz GRIZLBMOJZCIEE-UHFFFAOYSA-N 1 3 369.553 3.028 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599378 497160277 /nfs/dbraw/zinc/16/02/77/497160277.db2.gz NFVWWGKRWGRTNT-QFBILLFUSA-N 1 3 361.555 3.122 20 0 FGADHO CN1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599363 497160741 /nfs/dbraw/zinc/16/07/41/497160741.db2.gz NFVWWGKRWGRTNT-VQIMIIECSA-N 1 3 361.555 3.122 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000265704780 497164547 /nfs/dbraw/zinc/16/45/47/497164547.db2.gz AKLCGSKPTKZZNO-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192684942 497184924 /nfs/dbraw/zinc/18/49/24/497184924.db2.gz IGSTZVAKJPVUEE-YLJYHZDGSA-N 1 3 355.526 3.030 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274885461 497189963 /nfs/dbraw/zinc/18/99/63/497189963.db2.gz IIVNBYUVVROVBC-RBBKRZOGSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000237473203 497241932 /nfs/dbraw/zinc/24/19/32/497241932.db2.gz WDAHXUXCTGIKTC-HUUCEWRRSA-N 1 3 367.921 3.245 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000237567122 497255936 /nfs/dbraw/zinc/25/59/36/497255936.db2.gz LSSNWVPQLIDJLZ-DUXKGJEZSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@H](CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237577644 497258449 /nfs/dbraw/zinc/25/84/49/497258449.db2.gz RXZGIRIITWWKLC-RTBURBONSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cscn1 ZINC000271120855 497268947 /nfs/dbraw/zinc/26/89/47/497268947.db2.gz JIQYOMFLITZHNO-GOSISDBHSA-N 1 3 358.555 3.392 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000237673879 497274413 /nfs/dbraw/zinc/27/44/13/497274413.db2.gz BZKSUCXRBQXGBL-AVRDEDQJSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000237673879 497274417 /nfs/dbraw/zinc/27/44/17/497274417.db2.gz BZKSUCXRBQXGBL-AVRDEDQJSA-N 1 3 365.521 3.277 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252442257 497299583 /nfs/dbraw/zinc/29/95/83/497299583.db2.gz RRGJICCCLSBMLC-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252442257 497299587 /nfs/dbraw/zinc/29/95/87/497299587.db2.gz RRGJICCCLSBMLC-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000255841454 497376393 /nfs/dbraw/zinc/37/63/93/497376393.db2.gz HKSLFFUXZKUOOQ-TWGQIWQCSA-N 1 3 363.505 3.315 20 0 FGADHO CN(C)[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275727422 497414898 /nfs/dbraw/zinc/41/48/98/497414898.db2.gz WTINMVYRFDIFGB-FQEVSTJZSA-N 1 3 354.498 3.215 20 0 FGADHO COc1ccc([C@H](C)C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000271741479 497435183 /nfs/dbraw/zinc/43/51/83/497435183.db2.gz AAXPLDIBBUBTST-LJQANCHMSA-N 1 3 359.558 3.289 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245584428 497465519 /nfs/dbraw/zinc/46/55/19/497465519.db2.gz ACWXGTISJHWHDG-GHTZIAJQSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245584428 497465522 /nfs/dbraw/zinc/46/55/22/497465522.db2.gz ACWXGTISJHWHDG-GHTZIAJQSA-N 1 3 372.557 3.084 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236942 497527923 /nfs/dbraw/zinc/52/79/23/497527923.db2.gz OQOPDPURJWHSPL-WBVHZDCISA-N 1 3 363.571 3.126 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000194469450 497677386 /nfs/dbraw/zinc/67/73/86/497677386.db2.gz HYOFNECNSGFGKW-IBGZPJMESA-N 1 3 360.546 3.160 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1F ZINC000246383609 497715503 /nfs/dbraw/zinc/71/55/03/497715503.db2.gz KGAXXMWJYNOUGM-ZOCIIQOWSA-N 1 3 350.478 3.253 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246482353 497748374 /nfs/dbraw/zinc/74/83/74/497748374.db2.gz VULMOYJEQOFEDH-FXAWDEMLSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272867536 497748542 /nfs/dbraw/zinc/74/85/42/497748542.db2.gz WBFPMQYMKPWRMJ-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272995201 497780787 /nfs/dbraw/zinc/78/07/87/497780787.db2.gz QPHYZUMAMRAXIV-GOSISDBHSA-N 1 3 370.541 3.487 20 0 FGADHO CN(CCCCCO)Cc1cc(C[N@H+](C)CCCCCO)ccc1F ZINC000295972645 497874851 /nfs/dbraw/zinc/87/48/51/497874851.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 1 3 354.510 3.015 20 0 FGADHO CN(CCCCCO)Cc1cc(C[N@@H+](C)CCCCCO)ccc1F ZINC000295972645 497874858 /nfs/dbraw/zinc/87/48/58/497874858.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 1 3 354.510 3.015 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000578502956 505956162 /nfs/dbraw/zinc/95/61/62/505956162.db2.gz WXSFYDBQZISGSI-JLTOFOAXSA-N 1 3 370.472 3.284 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296298651 497989789 /nfs/dbraw/zinc/98/97/89/497989789.db2.gz FZLXNJYUPMXFAC-FQEVSTJZSA-N 1 3 357.542 3.280 20 0 FGADHO C[C@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247755 498075954 /nfs/dbraw/zinc/07/59/54/498075954.db2.gz NFXKASMPJOTDRS-HRAATJIYSA-N 1 3 351.494 3.316 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000285492917 498106551 /nfs/dbraw/zinc/10/65/51/498106551.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 1 3 353.304 3.040 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000285492917 498106560 /nfs/dbraw/zinc/10/65/60/498106560.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 1 3 353.304 3.040 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342331 498113050 /nfs/dbraw/zinc/11/30/50/498113050.db2.gz XCBIKTZSPBJKNV-MOPGFXCFSA-N 1 3 359.514 3.361 20 0 FGADHO CCOc1cc2nccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2cc1OCC ZINC000301471472 498124660 /nfs/dbraw/zinc/12/46/60/498124660.db2.gz TWDLUYOJMBLEGA-MRXNPFEDSA-N 1 3 353.466 3.483 20 0 FGADHO Clc1cccc(N2CCOCC2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000292746365 498130680 /nfs/dbraw/zinc/13/06/80/498130680.db2.gz ATWUTRUTSPJNQE-UHFFFAOYSA-N 1 3 363.933 3.141 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296666610 498144884 /nfs/dbraw/zinc/14/48/84/498144884.db2.gz VOASFAGHSPCDDB-OAQYLSRUSA-N 1 3 370.541 3.140 20 0 FGADHO COc1ccc2ccccc2c1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000289466245 498158356 /nfs/dbraw/zinc/15/83/56/498158356.db2.gz OYRHQRZMBAXKGT-UHFFFAOYSA-N 1 3 367.537 3.308 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4)CCC3)CC2)CC1 ZINC000581497183 506001903 /nfs/dbraw/zinc/00/19/03/506001903.db2.gz NAJVORKEDBBNMC-UHFFFAOYSA-N 1 3 369.553 3.378 20 0 FGADHO OCC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000285924207 498241946 /nfs/dbraw/zinc/24/19/46/498241946.db2.gz CNVJNMODKIDQND-BHIFYINESA-N 1 3 372.553 3.056 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365063798 498278712 /nfs/dbraw/zinc/27/87/12/498278712.db2.gz BDTQTRCMCLDIAT-ACIOBRDBSA-N 1 3 372.553 3.328 20 0 FGADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000581547703 506012738 /nfs/dbraw/zinc/01/27/38/506012738.db2.gz RDTREGIWOFWPKS-FQEVSTJZSA-N 1 3 355.526 3.133 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578759143 506014805 /nfs/dbraw/zinc/01/48/05/506014805.db2.gz RPGYYXMDQCTZTP-IFMALSPDSA-N 1 3 360.542 3.152 20 0 FGADHO c1nn(-c2ccccc2)cc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601909 506025486 /nfs/dbraw/zinc/02/54/86/506025486.db2.gz WZXSNVVTEPZVHU-JTHBVZDNSA-N 1 3 374.488 3.260 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000569863273 506034287 /nfs/dbraw/zinc/03/42/87/506034287.db2.gz FDQLHECBCJXLKR-LJQANCHMSA-N 1 3 371.569 3.445 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c(F)c1 ZINC000578845896 506035187 /nfs/dbraw/zinc/03/51/87/506035187.db2.gz MERORSLAFPQPQX-UHFFFAOYSA-N 1 3 365.493 3.359 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(F)c1 ZINC000578845896 506035190 /nfs/dbraw/zinc/03/51/90/506035190.db2.gz MERORSLAFPQPQX-UHFFFAOYSA-N 1 3 365.493 3.359 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431895 498509854 /nfs/dbraw/zinc/50/98/54/498509854.db2.gz HNICGMFWSFIAFT-RTBURBONSA-N 1 3 356.510 3.363 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431895 498509858 /nfs/dbraw/zinc/50/98/58/498509858.db2.gz HNICGMFWSFIAFT-RTBURBONSA-N 1 3 356.510 3.363 20 0 FGADHO c1[nH]c2nccnc2c1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294001153 498557601 /nfs/dbraw/zinc/55/76/01/498557601.db2.gz STPQBXNGGWPAQF-UHFFFAOYSA-N 1 3 361.493 3.446 20 0 FGADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298046137 498648310 /nfs/dbraw/zinc/64/83/10/498648310.db2.gz IBFPQUSDUUMSQR-QFBILLFUSA-N 1 3 374.529 3.286 20 0 FGADHO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N(C)C1CC1 ZINC000303267931 498659760 /nfs/dbraw/zinc/65/97/60/498659760.db2.gz IZGHFCHAFZHGQS-GOSISDBHSA-N 1 3 372.557 3.200 20 0 FGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000290831432 498693721 /nfs/dbraw/zinc/69/37/21/498693721.db2.gz XTZNKWGBSRSUTM-NRFANRHFSA-N 1 3 354.494 3.025 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000298366414 498747161 /nfs/dbraw/zinc/74/71/61/498747161.db2.gz KITRFMZZWKYUOJ-SFHVURJKSA-N 1 3 350.510 3.087 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000570077659 506085251 /nfs/dbraw/zinc/08/52/51/506085251.db2.gz HMRDLQXLDPASAW-FDFHNCONSA-N 1 3 371.569 3.165 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690821 498761599 /nfs/dbraw/zinc/76/15/99/498761599.db2.gz QJWWSXHKXVYCDD-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690821 498761604 /nfs/dbraw/zinc/76/16/04/498761604.db2.gz QJWWSXHKXVYCDD-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000320864001 498810494 /nfs/dbraw/zinc/81/04/94/498810494.db2.gz JIBYRTVROFQFJC-KBPBESRZSA-N 1 3 361.313 3.055 20 0 FGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298578580 498819455 /nfs/dbraw/zinc/81/94/55/498819455.db2.gz XPHZMNJECPCIDA-ICSRJNTNSA-N 1 3 361.436 3.430 20 0 FGADHO Clc1cc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc2c1OCCO2 ZINC000298591731 498823028 /nfs/dbraw/zinc/82/30/28/498823028.db2.gz YLTMKUIEYYTXNY-UHFFFAOYSA-N 1 3 373.884 3.307 20 0 FGADHO Fc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298596380 498824499 /nfs/dbraw/zinc/82/44/99/498824499.db2.gz YVJCRRNYIVMLLS-KRWDZBQOSA-N 1 3 354.473 3.306 20 0 FGADHO CN(CCCOCCc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453252 498828526 /nfs/dbraw/zinc/82/85/26/498828526.db2.gz UCUYMEDPKMISSS-UHFFFAOYSA-N 1 3 360.542 3.211 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000582011511 506111954 /nfs/dbraw/zinc/11/19/54/506111954.db2.gz FSWRCYFVAJGCBH-KRWDZBQOSA-N 1 3 373.541 3.069 20 0 FGADHO c1sc(CC[NH2+]C2CCN(c3ccncc3)CC2)nc1-c1ccccn1 ZINC000291412224 498931195 /nfs/dbraw/zinc/93/11/95/498931195.db2.gz GQRPAARGGNIIJZ-UHFFFAOYSA-N 1 3 365.506 3.401 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000582038837 506118763 /nfs/dbraw/zinc/11/87/63/506118763.db2.gz UYRLZANGIWBSDE-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO C[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734576 498965735 /nfs/dbraw/zinc/96/57/35/498965735.db2.gz UVSMUUAUDBWRPG-BFYDXBDKSA-N 1 3 365.543 3.340 20 0 FGADHO C[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734576 498965738 /nfs/dbraw/zinc/96/57/38/498965738.db2.gz UVSMUUAUDBWRPG-BFYDXBDKSA-N 1 3 365.543 3.340 20 0 FGADHO C[N@@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734577 498966318 /nfs/dbraw/zinc/96/63/18/498966318.db2.gz UVSMUUAUDBWRPG-HLLBOEOZSA-N 1 3 365.543 3.340 20 0 FGADHO C[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734577 498966323 /nfs/dbraw/zinc/96/63/23/498966323.db2.gz UVSMUUAUDBWRPG-HLLBOEOZSA-N 1 3 365.543 3.340 20 0 FGADHO COC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113046 506121332 /nfs/dbraw/zinc/12/13/32/506121332.db2.gz QINITECXYKOWJB-LEWJYISDSA-N 1 3 360.542 3.176 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046345 499098344 /nfs/dbraw/zinc/09/83/44/499098344.db2.gz BZKMIGMDQHFWQF-XFWGSAIBSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046345 499098347 /nfs/dbraw/zinc/09/83/47/499098347.db2.gz BZKMIGMDQHFWQF-XFWGSAIBSA-N 1 3 366.933 3.027 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@](C)(CNC2CC([NH+]3CCCCC3)C2)C1 ZINC000366954287 499121519 /nfs/dbraw/zinc/12/15/19/499121519.db2.gz PDBPYVUHKAGYDO-UHYCVJNDSA-N 1 3 351.535 3.240 20 0 FGADHO Cc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000369955055 499157102 /nfs/dbraw/zinc/15/71/02/499157102.db2.gz NVDMOSLBVAOUBD-UHFFFAOYSA-N 1 3 358.574 3.327 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000570296426 506136226 /nfs/dbraw/zinc/13/62/26/506136226.db2.gz LLHNSZVPBDUIEH-OAQYLSRUSA-N 1 3 358.526 3.456 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636889 499238210 /nfs/dbraw/zinc/23/82/10/499238210.db2.gz SLDDWLSHAIDRHL-GDBMZVCRSA-N 1 3 353.457 3.107 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370645948 499239307 /nfs/dbraw/zinc/23/93/07/499239307.db2.gz NCEXAZCQYNPABC-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CC(C)COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709518 499246653 /nfs/dbraw/zinc/24/66/53/499246653.db2.gz RMRDSXFOKMTICU-KNQAVFIVSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370709518 499246654 /nfs/dbraw/zinc/24/66/54/499246654.db2.gz RMRDSXFOKMTICU-KNQAVFIVSA-N 1 3 359.558 3.179 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155536 499270013 /nfs/dbraw/zinc/27/00/13/499270013.db2.gz OTDVJDBLBQJYOG-QUCCMNQESA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155536 499270015 /nfs/dbraw/zinc/27/00/15/499270015.db2.gz OTDVJDBLBQJYOG-QUCCMNQESA-N 1 3 365.521 3.389 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O2 ZINC000368363064 499288804 /nfs/dbraw/zinc/28/88/04/499288804.db2.gz QZSURHYWBFMROE-UYAOXDASSA-N 1 3 374.525 3.007 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505032 499302773 /nfs/dbraw/zinc/30/27/73/499302773.db2.gz TYIPWITXDJVLLQ-XZOQPEGZSA-N 1 3 371.569 3.228 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000369062948 499361833 /nfs/dbraw/zinc/36/18/33/499361833.db2.gz IOEUBRDIMIEQAO-AABGKKOBSA-N 1 3 356.558 3.174 20 0 FGADHO Cc1cnc([C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)s1 ZINC000369186441 499375719 /nfs/dbraw/zinc/37/57/19/499375719.db2.gz CUKLEANEYZXUTG-GOSISDBHSA-N 1 3 350.576 3.047 20 0 FGADHO Cc1cnc([C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)s1 ZINC000369186441 499375721 /nfs/dbraw/zinc/37/57/21/499375721.db2.gz CUKLEANEYZXUTG-GOSISDBHSA-N 1 3 350.576 3.047 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1OC ZINC000373523751 499474835 /nfs/dbraw/zinc/47/48/35/499474835.db2.gz QFKXLNGRDHJANV-IPJUCJBFSA-N 1 3 362.514 3.388 20 0 FGADHO Cc1nc([C@@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000378195378 499489183 /nfs/dbraw/zinc/48/91/83/499489183.db2.gz AWVIXJZUQWYIRH-OAHLLOKOSA-N 1 3 350.576 3.298 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1)CC(C)C ZINC000573231147 506149152 /nfs/dbraw/zinc/14/91/52/506149152.db2.gz UOOWDJOSPRSPMO-QUCCMNQESA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1)CC(C)C ZINC000573231147 506149156 /nfs/dbraw/zinc/14/91/56/506149156.db2.gz UOOWDJOSPRSPMO-QUCCMNQESA-N 1 3 366.594 3.259 20 0 FGADHO CC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000397495093 499564240 /nfs/dbraw/zinc/56/42/40/499564240.db2.gz DBPGJSMEAUBKQB-LJQANCHMSA-N 1 3 357.473 3.289 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005777 499565810 /nfs/dbraw/zinc/56/58/10/499565810.db2.gz QFCUZXPTFDEJTG-BVYCBKJFSA-N 1 3 365.521 3.493 20 0 FGADHO c1cc(CN2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)ccn1 ZINC000376004585 499575371 /nfs/dbraw/zinc/57/53/71/499575371.db2.gz STDIMZNFGNIJJB-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cc(CN2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004585 499575373 /nfs/dbraw/zinc/57/53/73/499575373.db2.gz STDIMZNFGNIJJB-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cc(CN2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004585 499575374 /nfs/dbraw/zinc/57/53/74/499575374.db2.gz STDIMZNFGNIJJB-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO C[C@H](N[C@H]1C[C@H](CO)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000376956254 499649374 /nfs/dbraw/zinc/64/93/74/499649374.db2.gz FTDBSOZRCYEVIT-CECAUBDESA-N 1 3 354.494 3.499 20 0 FGADHO COC(=O)[C@@H]1CC12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411285729 499721580 /nfs/dbraw/zinc/72/15/80/499721580.db2.gz VQCWGTUNDLTNKP-FQEVSTJZSA-N 1 3 356.510 3.448 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000411454010 499742515 /nfs/dbraw/zinc/74/25/15/499742515.db2.gz AEOIKZUVNGLSQE-FQEVSTJZSA-N 1 3 363.933 3.371 20 0 FGADHO CN1CCO[C@H]([C@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199367 499768188 /nfs/dbraw/zinc/76/81/88/499768188.db2.gz WUPXERYPSHHHDV-LSTHTHJFSA-N 1 3 365.949 3.033 20 0 FGADHO CN1CCO[C@H]([C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199367 499768189 /nfs/dbraw/zinc/76/81/89/499768189.db2.gz WUPXERYPSHHHDV-LSTHTHJFSA-N 1 3 365.949 3.033 20 0 FGADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1cccc(CO)c1 ZINC000414263417 499772512 /nfs/dbraw/zinc/77/25/12/499772512.db2.gz JLQRUKUIUBDZNJ-SXSPYAJSSA-N 1 3 368.521 3.367 20 0 FGADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1cccc(CO)c1 ZINC000414263417 499772515 /nfs/dbraw/zinc/77/25/15/499772515.db2.gz JLQRUKUIUBDZNJ-SXSPYAJSSA-N 1 3 368.521 3.367 20 0 FGADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411659411 499774195 /nfs/dbraw/zinc/77/41/95/499774195.db2.gz GSOQKKOFQTZEAU-QFIPXVFZSA-N 1 3 358.526 3.442 20 0 FGADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342338 499779374 /nfs/dbraw/zinc/77/93/74/499779374.db2.gz PEJUZXZCSAHVGK-LZJOCLMNSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@@H](C)C1 ZINC000414344973 499779572 /nfs/dbraw/zinc/77/95/72/499779572.db2.gz SCFKKKRAVOXDJI-WWMYMODYSA-N 1 3 357.542 3.298 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3ccc(S(C)(=O)=O)s3)CC2)CC1 ZINC000414365550 499781615 /nfs/dbraw/zinc/78/16/15/499781615.db2.gz MECUTTUMSNWXTH-UHFFFAOYSA-N 1 3 370.584 3.284 20 0 FGADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cnc2ccc(C)cc2c1 ZINC000411739041 499785009 /nfs/dbraw/zinc/78/50/09/499785009.db2.gz VMSFRHPPSUCOAB-UHFFFAOYSA-N 1 3 354.542 3.393 20 0 FGADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cnc2ccc(C)cc2c1 ZINC000411739041 499785010 /nfs/dbraw/zinc/78/50/10/499785010.db2.gz VMSFRHPPSUCOAB-UHFFFAOYSA-N 1 3 354.542 3.393 20 0 FGADHO Cc1cc(F)ccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414558103 499808611 /nfs/dbraw/zinc/80/86/11/499808611.db2.gz RCXJXRLJMJRKFQ-UHFFFAOYSA-N 1 3 369.484 3.121 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990103 499810252 /nfs/dbraw/zinc/81/02/52/499810252.db2.gz SEBUGPSOTIMEEV-NRFANRHFSA-N 1 3 369.553 3.245 20 0 FGADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014823 499813295 /nfs/dbraw/zinc/81/32/95/499813295.db2.gz RBMSLBPWJTTYDF-FGZHOGPDSA-N 1 3 369.553 3.388 20 0 FGADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414698690 499821088 /nfs/dbraw/zinc/82/10/88/499821088.db2.gz XTHGXXVDFPZZNA-DLBZAZTESA-N 1 3 357.498 3.403 20 0 FGADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000414698690 499821090 /nfs/dbraw/zinc/82/10/90/499821090.db2.gz XTHGXXVDFPZZNA-DLBZAZTESA-N 1 3 357.498 3.403 20 0 FGADHO CC(C)c1ccc(CC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414715556 499822248 /nfs/dbraw/zinc/82/22/48/499822248.db2.gz RBTKOMNQKKLHJN-NRFANRHFSA-N 1 3 371.569 3.262 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850890 499837987 /nfs/dbraw/zinc/83/79/87/499837987.db2.gz IREDPESJBRLSEM-HZSPNIEDSA-N 1 3 373.419 3.280 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858884 499838647 /nfs/dbraw/zinc/83/86/47/499838647.db2.gz STPOBXPVJZYQNY-MCIONIFRSA-N 1 3 357.420 3.400 20 0 FGADHO CN(c1ccccc1CNC[C@H]1[NH2+]CCCC1(C)C)C1CCN(C)CC1 ZINC000414927462 499845331 /nfs/dbraw/zinc/84/53/31/499845331.db2.gz LYIFMAJUFLZFMV-OAQYLSRUSA-N 1 3 358.574 3.085 20 0 FGADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCCOc1ccccc1Cl ZINC000414932290 499845891 /nfs/dbraw/zinc/84/58/91/499845891.db2.gz RQLDPNQAVSQORL-CQSZACIVSA-N 1 3 364.873 3.243 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993090 499852539 /nfs/dbraw/zinc/85/25/39/499852539.db2.gz CDRPUWJYKLNVJT-NEPJUHHUSA-N 1 3 354.285 3.181 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000415020575 499855708 /nfs/dbraw/zinc/85/57/08/499855708.db2.gz GYWZIUGLPDHDEZ-JOCQHMNTSA-N 1 3 368.312 3.429 20 0 FGADHO CCC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415107233 499864640 /nfs/dbraw/zinc/86/46/40/499864640.db2.gz NNYACGMBEXXCBR-RHSMWYFYSA-N 1 3 371.447 3.334 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127274 499867548 /nfs/dbraw/zinc/86/75/48/499867548.db2.gz QTGXHFANUCJVCG-DOTOQJQBSA-N 1 3 358.404 3.304 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294689 506163883 /nfs/dbraw/zinc/16/38/83/506163883.db2.gz LWDCWTFBDFUEEQ-IBGZPJMESA-N 1 3 362.876 3.378 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H](C)NC[C@@H]3C)c2)CC1 ZINC000415386810 499890665 /nfs/dbraw/zinc/89/06/65/499890665.db2.gz GKZUHAJUXKLNSV-ROUUACIJSA-N 1 3 358.530 3.175 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000582231460 506164853 /nfs/dbraw/zinc/16/48/53/506164853.db2.gz XTWMPOGEZLAGCH-HBGVWJBISA-N 1 3 366.509 3.108 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCCN(Cc2ccccc2)CC1 ZINC000415879051 499923845 /nfs/dbraw/zinc/92/38/45/499923845.db2.gz ABIPYDYWRCIUBX-UHFFFAOYSA-N 1 3 364.493 3.072 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000415910886 499927320 /nfs/dbraw/zinc/92/73/20/499927320.db2.gz CKVSLFMZNBGXCB-VQTJNVASSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000415915832 499927908 /nfs/dbraw/zinc/92/79/08/499927908.db2.gz AHFMKYDBIZBEQN-MRXNPFEDSA-N 1 3 367.497 3.148 20 0 FGADHO COc1cc2nccc(N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232288 499930459 /nfs/dbraw/zinc/93/04/59/499930459.db2.gz OHOGSDFKEBZKGO-FXAWDEMLSA-N 1 3 373.522 3.268 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000415960246 499933677 /nfs/dbraw/zinc/93/36/77/499933677.db2.gz UTPAIGSFENTZAI-KRWDZBQOSA-N 1 3 354.498 3.438 20 0 FGADHO CN(C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000415969955 499935232 /nfs/dbraw/zinc/93/52/32/499935232.db2.gz KTXNSVQHFNSNLO-XYPWUTKMSA-N 1 3 370.419 3.253 20 0 FGADHO CN(C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000415969955 499935234 /nfs/dbraw/zinc/93/52/34/499935234.db2.gz KTXNSVQHFNSNLO-XYPWUTKMSA-N 1 3 370.419 3.253 20 0 FGADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415970957 499935418 /nfs/dbraw/zinc/93/54/18/499935418.db2.gz MDJNNKOYACLZLJ-BLLLJJGKSA-N 1 3 370.419 3.255 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415971211 499935596 /nfs/dbraw/zinc/93/55/96/499935596.db2.gz FWFWWKHIVSGDFH-UHFFFAOYSA-N 1 3 352.482 3.274 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1 ZINC000415975531 499936379 /nfs/dbraw/zinc/93/63/79/499936379.db2.gz UEYMSUZXDNDPAE-UHFFFAOYSA-N 1 3 354.498 3.310 20 0 FGADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415998204 499939287 /nfs/dbraw/zinc/93/92/87/499939287.db2.gz RQPCSEWWGCRNOS-KRWDZBQOSA-N 1 3 356.514 3.410 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241033 499991856 /nfs/dbraw/zinc/99/18/56/499991856.db2.gz KRNRBDOSWXTYCP-RTWAWAEBSA-N 1 3 369.509 3.107 20 0 FGADHO CC1CCN([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000417214093 500007293 /nfs/dbraw/zinc/00/72/93/500007293.db2.gz JZWNBODYQMREOI-LJQANCHMSA-N 1 3 360.546 3.086 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314445 500037160 /nfs/dbraw/zinc/03/71/60/500037160.db2.gz ZBCAECDURNJQGR-ZYSHUDEJSA-N 1 3 371.550 3.321 20 0 FGADHO CSC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046785 /nfs/dbraw/zinc/04/67/85/500046785.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 1 3 372.644 3.153 20 0 FGADHO CSC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046789 /nfs/dbraw/zinc/04/67/89/500046789.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 1 3 372.644 3.153 20 0 FGADHO CSC[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046793 /nfs/dbraw/zinc/04/67/93/500046793.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 1 3 372.644 3.153 20 0 FGADHO CSC[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046798 /nfs/dbraw/zinc/04/67/98/500046798.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 1 3 372.644 3.153 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417183 500074304 /nfs/dbraw/zinc/07/43/04/500074304.db2.gz MVKAKFYQYXZDKM-MRXNPFEDSA-N 1 3 369.347 3.064 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000576529683 506179988 /nfs/dbraw/zinc/17/99/88/506179988.db2.gz PYQXMLYAULEFIP-NUEKZKHPSA-N 1 3 352.320 3.135 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000416833160 500133002 /nfs/dbraw/zinc/13/30/02/500133002.db2.gz CHAPZMJYVDNDPZ-SFTDATJTSA-N 1 3 372.557 3.025 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CCCC1 ZINC000416832707 500133099 /nfs/dbraw/zinc/13/30/99/500133099.db2.gz UXSAGFCTBDOSDY-LJQANCHMSA-N 1 3 354.498 3.013 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000416847220 500136757 /nfs/dbraw/zinc/13/67/57/500136757.db2.gz UYQBVCCFEVPJIW-HRAATJIYSA-N 1 3 368.525 3.371 20 0 FGADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000429762966 500138858 /nfs/dbraw/zinc/13/88/58/500138858.db2.gz HEYKBVQCHAVYIY-FBBABVLZSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@@H](CN[C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCN(C)CC1 ZINC000414068939 500143796 /nfs/dbraw/zinc/14/37/96/500143796.db2.gz IVYPNRBFXILFTD-IRXDYDNUSA-N 1 3 358.555 3.344 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417675164 500145978 /nfs/dbraw/zinc/14/59/78/500145978.db2.gz BHCQVJGYOVLRNP-XLIONFOSSA-N 1 3 374.573 3.276 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417734324 500159257 /nfs/dbraw/zinc/15/92/57/500159257.db2.gz KAXQTWPTNVHKNX-JFIYKMOQSA-N 1 3 366.575 3.146 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000416988996 500176859 /nfs/dbraw/zinc/17/68/59/500176859.db2.gz UZYQFUWMZLJWJF-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826280 500179787 /nfs/dbraw/zinc/17/97/87/500179787.db2.gz BZMFAKQSQGUABI-JRGCBEDISA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826280 500179791 /nfs/dbraw/zinc/17/97/91/500179791.db2.gz BZMFAKQSQGUABI-JRGCBEDISA-N 1 3 366.509 3.039 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843039 500182770 /nfs/dbraw/zinc/18/27/70/500182770.db2.gz QDEREZIVFKRAMQ-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217859 500210711 /nfs/dbraw/zinc/21/07/11/500210711.db2.gz LOHNUQXCLWBBBE-OAQYLSRUSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217859 500210714 /nfs/dbraw/zinc/21/07/14/500210714.db2.gz LOHNUQXCLWBBBE-OAQYLSRUSA-N 1 3 360.546 3.023 20 0 FGADHO CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000418024165 500215678 /nfs/dbraw/zinc/21/56/78/500215678.db2.gz DBAIYYOWLBFPTG-LJQANCHMSA-N 1 3 351.494 3.000 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000422129990 500217456 /nfs/dbraw/zinc/21/74/56/500217456.db2.gz AICFCIDTYUBGSC-OFLPRAFFSA-N 1 3 364.559 3.057 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150818 500237743 /nfs/dbraw/zinc/23/77/43/500237743.db2.gz DKDSQTBDGMDLHR-UXHICEINSA-N 1 3 372.557 3.104 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154264 500238206 /nfs/dbraw/zinc/23/82/06/500238206.db2.gz JMVSLZZKZNFCOJ-PMACEKPBSA-N 1 3 372.557 3.119 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154268 500238945 /nfs/dbraw/zinc/23/89/45/500238945.db2.gz JMVSLZZKZNFCOJ-WOJBJXKFSA-N 1 3 372.557 3.119 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000418175054 500242969 /nfs/dbraw/zinc/24/29/69/500242969.db2.gz FUIAEEXEAFTWCF-CGBFIWBNSA-N 1 3 360.546 3.051 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183872 500244448 /nfs/dbraw/zinc/24/44/48/500244448.db2.gz OXZMRGMEKNJXEG-PBHICJAKSA-N 1 3 354.926 3.150 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188964 500245801 /nfs/dbraw/zinc/24/58/01/500245801.db2.gz VBUWOQJKUCQJAX-JCGIZDLHSA-N 1 3 366.937 3.163 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192323 500246690 /nfs/dbraw/zinc/24/66/90/500246690.db2.gz YKJIOCBNUKERQJ-ZTFGCOKTSA-N 1 3 366.937 3.020 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(CC)CC)cc1 ZINC000418215767 500250750 /nfs/dbraw/zinc/25/07/50/500250750.db2.gz NIEOAVBJDVAMAI-RBBKRZOGSA-N 1 3 372.557 3.027 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)N(CC)CC)cc1 ZINC000418221353 500251588 /nfs/dbraw/zinc/25/15/88/500251588.db2.gz VQTBGANQNOUBTI-HBMCJLEFSA-N 1 3 372.557 3.025 20 0 FGADHO CC(C)c1nnc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)s1 ZINC000426295044 500257737 /nfs/dbraw/zinc/25/77/37/500257737.db2.gz LMTDINLGCMGRNP-OAHLLOKOSA-N 1 3 362.543 3.495 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317792 500261410 /nfs/dbraw/zinc/26/14/10/500261410.db2.gz BCXFPYDJLBEMDZ-RXVVDRJESA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317792 500261414 /nfs/dbraw/zinc/26/14/14/500261414.db2.gz BCXFPYDJLBEMDZ-RXVVDRJESA-N 1 3 372.557 3.183 20 0 FGADHO [NH3+]C[C@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642440 500265321 /nfs/dbraw/zinc/26/53/21/500265321.db2.gz KMFWWESXPSJEPK-OXQOHEQNSA-N 1 3 357.523 3.015 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418365445 500268659 /nfs/dbraw/zinc/26/86/59/500268659.db2.gz XNUPOAWYKZJRMG-FQEVSTJZSA-N 1 3 358.530 3.080 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715118 500273975 /nfs/dbraw/zinc/27/39/75/500273975.db2.gz OBBFILQBORUPCF-SFHVURJKSA-N 1 3 365.587 3.254 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715118 500273978 /nfs/dbraw/zinc/27/39/78/500273978.db2.gz OBBFILQBORUPCF-SFHVURJKSA-N 1 3 365.587 3.254 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000418459022 500279526 /nfs/dbraw/zinc/27/95/26/500279526.db2.gz ILDQJJIQVMQPCR-MRXNPFEDSA-N 1 3 370.497 3.105 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000418485317 500282051 /nfs/dbraw/zinc/28/20/51/500282051.db2.gz GXMPDEXKZXIABU-KUHUBIRLSA-N 1 3 374.916 3.462 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418530072 500287935 /nfs/dbraw/zinc/28/79/35/500287935.db2.gz VHLHCNUNOPEAGK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CN(CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716667 500289574 /nfs/dbraw/zinc/28/95/74/500289574.db2.gz NPUSQOATNXISPD-UGKGYDQZSA-N 1 3 369.484 3.498 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723382 500290159 /nfs/dbraw/zinc/29/01/59/500290159.db2.gz REUYCOVVUCVAFL-AOMKIAJQSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723382 500290160 /nfs/dbraw/zinc/29/01/60/500290160.db2.gz REUYCOVVUCVAFL-AOMKIAJQSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742869 500292841 /nfs/dbraw/zinc/29/28/41/500292841.db2.gz SKZZWDLPEIQQAC-RRQGHBQHSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cccc(Br)c2)CCC1 ZINC000422742869 500292842 /nfs/dbraw/zinc/29/28/42/500292842.db2.gz SKZZWDLPEIQQAC-RRQGHBQHSA-N 1 3 367.331 3.213 20 0 FGADHO CN(CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758705 500294640 /nfs/dbraw/zinc/29/46/40/500294640.db2.gz KPCWEUSJYPULLC-RBBKRZOGSA-N 1 3 351.494 3.358 20 0 FGADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422756780 500294704 /nfs/dbraw/zinc/29/47/04/500294704.db2.gz IAMCQOODBFTMHQ-LUKYLMHMSA-N 1 3 365.468 3.377 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418602958 500296119 /nfs/dbraw/zinc/29/61/19/500296119.db2.gz WFLFQBOSQSKOOQ-JRGCBEDISA-N 1 3 372.557 3.198 20 0 FGADHO Cc1ccc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786359 500297202 /nfs/dbraw/zinc/29/72/02/500297202.db2.gz QGXPQEIJDMTEHV-FUDKSRODSA-N 1 3 365.521 3.443 20 0 FGADHO CCc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797878 500299305 /nfs/dbraw/zinc/29/93/05/500299305.db2.gz OWCIISZWSLKUKQ-KKSFZXQISA-N 1 3 374.550 3.459 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820970 500302148 /nfs/dbraw/zinc/30/21/48/500302148.db2.gz TWKTXOJKYPEGQT-ZDUSSCGKSA-N 1 3 358.452 3.164 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833425 500303427 /nfs/dbraw/zinc/30/34/27/500303427.db2.gz GVFYGRRCLAAKAA-PXWWUCIGSA-N 1 3 367.704 3.368 20 0 FGADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418681749 500307158 /nfs/dbraw/zinc/30/71/58/500307158.db2.gz ZCAUIYZNKITSME-GGPKGHCWSA-N 1 3 360.546 3.371 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909005 500315593 /nfs/dbraw/zinc/31/55/93/500315593.db2.gz FBHIRDKDXHGHJX-CJNGLKHVSA-N 1 3 366.502 3.274 20 0 FGADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422929017 500318559 /nfs/dbraw/zinc/31/85/59/500318559.db2.gz NXZLDZSNDBQFKW-PCCBWWKXSA-N 1 3 362.514 3.373 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)c1 ZINC000422929017 500318561 /nfs/dbraw/zinc/31/85/61/500318561.db2.gz NXZLDZSNDBQFKW-PCCBWWKXSA-N 1 3 362.514 3.373 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000422933134 500319284 /nfs/dbraw/zinc/31/92/84/500319284.db2.gz HDGFKWPELDLZBY-QZTJIDSGSA-N 1 3 369.509 3.270 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc2)cc1 ZINC000422933134 500319286 /nfs/dbraw/zinc/31/92/86/500319286.db2.gz HDGFKWPELDLZBY-QZTJIDSGSA-N 1 3 369.509 3.270 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935170 500319751 /nfs/dbraw/zinc/31/97/51/500319751.db2.gz DEMQOCQNCKZYPE-MTNREXPMSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(OCc2ccccc2)cc1 ZINC000422935170 500319754 /nfs/dbraw/zinc/31/97/54/500319754.db2.gz DEMQOCQNCKZYPE-MTNREXPMSA-N 1 3 354.494 3.150 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422938478 500319820 /nfs/dbraw/zinc/31/98/20/500319820.db2.gz PPLPKUJSWVPSJC-SFTDATJTSA-N 1 3 367.493 3.024 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004411 500320959 /nfs/dbraw/zinc/32/09/59/500320959.db2.gz QZUYTNAIVUSWOM-LEWJYISDSA-N 1 3 372.557 3.060 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994735 500328599 /nfs/dbraw/zinc/32/85/99/500328599.db2.gz VZPGVRHGNUOOOU-JCHJZTRSSA-N 1 3 370.459 3.367 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014480 500330747 /nfs/dbraw/zinc/33/07/47/500330747.db2.gz PFCVYYRGJZSZML-GXFFZTMASA-N 1 3 351.800 3.240 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423017887 500331665 /nfs/dbraw/zinc/33/16/65/500331665.db2.gz XGHRLUXELGQEAW-ZLIFDBKOSA-N 1 3 365.930 3.348 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423028388 500333118 /nfs/dbraw/zinc/33/31/18/500333118.db2.gz GJFFUIHOTXMZGT-CZUORRHYSA-N 1 3 355.320 3.368 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3CN)nc12 ZINC000423035430 500333241 /nfs/dbraw/zinc/33/32/41/500333241.db2.gz JKIFVSLJRVDURN-CZUORRHYSA-N 1 3 365.319 3.055 20 0 FGADHO Fc1cccc(NCCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035580 500333907 /nfs/dbraw/zinc/33/39/07/500333907.db2.gz RWSADXRKFVQDJW-PZJWPPBQSA-N 1 3 355.457 3.473 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423074613 500338484 /nfs/dbraw/zinc/33/84/84/500338484.db2.gz MIIHZXBHFSYYES-OXQOHEQNSA-N 1 3 370.566 3.117 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423073791 500338759 /nfs/dbraw/zinc/33/87/59/500338759.db2.gz JWAFDKKQVHIDRP-AIZKBTNYSA-N 1 3 370.512 3.448 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423083421 500340122 /nfs/dbraw/zinc/34/01/22/500340122.db2.gz GAGIVXUMKTUGFK-UJPJLTBQSA-N 1 3 369.475 3.340 20 0 FGADHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293390 500362036 /nfs/dbraw/zinc/36/20/36/500362036.db2.gz RETMEJBPMNJLMW-UZLBHIALSA-N 1 3 369.509 3.414 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000423325458 500364468 /nfs/dbraw/zinc/36/44/68/500364468.db2.gz ISYMZEQQHZIKEX-QGZVFWFLSA-N 1 3 351.494 3.143 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387642 500369829 /nfs/dbraw/zinc/36/98/29/500369829.db2.gz SSKABVRWLWIXHG-LLGFUMIMSA-N 1 3 351.494 3.489 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423406316 500370820 /nfs/dbraw/zinc/37/08/20/500370820.db2.gz UPRHEQZPHRLJFK-WOSRLPQWSA-N 1 3 372.294 3.200 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000423444163 500375597 /nfs/dbraw/zinc/37/55/97/500375597.db2.gz WMOPCAOCUGTMFN-ROUUACIJSA-N 1 3 351.494 3.443 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479275 500377195 /nfs/dbraw/zinc/37/71/95/500377195.db2.gz UXPPDFBEEGQCHN-OBJCFNGXSA-N 1 3 358.501 3.456 20 0 FGADHO CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427288521 500377975 /nfs/dbraw/zinc/37/79/75/500377975.db2.gz PVKSPORJSFDMQV-SFHLNBCPSA-N 1 3 357.542 3.450 20 0 FGADHO CC(=O)NCCc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512496 500381373 /nfs/dbraw/zinc/38/13/73/500381373.db2.gz USSQNQALQMQGJX-VGOFRKELSA-N 1 3 353.510 3.496 20 0 FGADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529600 500382932 /nfs/dbraw/zinc/38/29/32/500382932.db2.gz PZHGEWOEIHAKFZ-MBAXHRRTSA-N 1 3 355.526 3.455 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431779982 500423870 /nfs/dbraw/zinc/42/38/70/500423870.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431779982 500423872 /nfs/dbraw/zinc/42/38/72/500423872.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000431852271 500434689 /nfs/dbraw/zinc/43/46/89/500434689.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000431852271 500434691 /nfs/dbraw/zinc/43/46/91/500434691.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 1 3 357.542 3.420 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317652 500440923 /nfs/dbraw/zinc/44/09/23/500440923.db2.gz NPBXXBIWCZDQCS-APWZRJJASA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317652 500440926 /nfs/dbraw/zinc/44/09/26/500440926.db2.gz NPBXXBIWCZDQCS-APWZRJJASA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317652 500440927 /nfs/dbraw/zinc/44/09/27/500440927.db2.gz NPBXXBIWCZDQCS-APWZRJJASA-N 1 3 365.481 3.011 20 0 FGADHO O=C(c1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324176 500441822 /nfs/dbraw/zinc/44/18/22/500441822.db2.gz GWVLTTJEYZNXKJ-LEWJYISDSA-N 1 3 355.526 3.134 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412099 500457509 /nfs/dbraw/zinc/45/75/09/500457509.db2.gz SBTHXRJAZKSNKB-XMSQKQJNSA-N 1 3 368.477 3.250 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412099 500457510 /nfs/dbraw/zinc/45/75/10/500457510.db2.gz SBTHXRJAZKSNKB-XMSQKQJNSA-N 1 3 368.477 3.250 20 0 FGADHO CC(C)C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285630 500480964 /nfs/dbraw/zinc/48/09/64/500480964.db2.gz GCSLYFNKESSYBX-UYAOXDASSA-N 1 3 357.542 3.354 20 0 FGADHO CC(C)C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285615 500480993 /nfs/dbraw/zinc/48/09/93/500480993.db2.gz GCSLYFNKESSYBX-AZUAARDMSA-N 1 3 357.542 3.354 20 0 FGADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284220 500481081 /nfs/dbraw/zinc/48/10/81/500481081.db2.gz DCWQSOAKKUMYRV-MOPGFXCFSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]1CC2(CN1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292140 500482428 /nfs/dbraw/zinc/48/24/28/500482428.db2.gz OFUAEGZOXDIKSZ-CQSZACIVSA-N 1 3 353.304 3.292 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000576612352 506198335 /nfs/dbraw/zinc/19/83/35/506198335.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000576612352 506198337 /nfs/dbraw/zinc/19/83/37/506198337.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244218 500486735 /nfs/dbraw/zinc/48/67/35/500486735.db2.gz XWZMXPFEQAJYSW-WBADGQHESA-N 1 3 372.553 3.054 20 0 FGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(OC4CCN(C)CC4)cc3)C[C@H]2C1 ZINC000424345224 500489659 /nfs/dbraw/zinc/48/96/59/500489659.db2.gz HVZKJMWTPQFPNJ-NTAIKFDKSA-N 1 3 358.526 3.453 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420776445 500498211 /nfs/dbraw/zinc/49/82/11/500498211.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420776445 500498212 /nfs/dbraw/zinc/49/82/12/500498212.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000424445745 500506714 /nfs/dbraw/zinc/50/67/14/500506714.db2.gz PBUGXZFGEFTGJM-FQEVSTJZSA-N 1 3 352.482 3.412 20 0 FGADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985856 500548476 /nfs/dbraw/zinc/54/84/76/500548476.db2.gz WZPIJJXUURLPNH-KRWDZBQOSA-N 1 3 356.514 3.381 20 0 FGADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985856 500548477 /nfs/dbraw/zinc/54/84/77/500548477.db2.gz WZPIJJXUURLPNH-KRWDZBQOSA-N 1 3 356.514 3.381 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C(C)C)C2)CC1 ZINC000432833224 500574080 /nfs/dbraw/zinc/57/40/80/500574080.db2.gz VPZJWONVLYTUJV-IBGZPJMESA-N 1 3 357.542 3.054 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000437076623 500599520 /nfs/dbraw/zinc/59/95/20/500599520.db2.gz VPYIKTINHZBOTH-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076623 500599523 /nfs/dbraw/zinc/59/95/23/500599523.db2.gz VPYIKTINHZBOTH-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076623 500599524 /nfs/dbraw/zinc/59/95/24/500599524.db2.gz VPYIKTINHZBOTH-NAVOZUGXSA-N 1 3 364.533 3.480 20 0 FGADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCCOCC[NH+](C)C ZINC000447597710 500632185 /nfs/dbraw/zinc/63/21/85/500632185.db2.gz GKJFYCGSCYXQIU-BLLLJJGKSA-N 1 3 373.360 3.400 20 0 FGADHO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442878876 500638421 /nfs/dbraw/zinc/63/84/21/500638421.db2.gz VOXIXCYLJKHNEM-HNNXBMFYSA-N 1 3 355.473 3.273 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876973 500639011 /nfs/dbraw/zinc/63/90/11/500639011.db2.gz QFSZRCQEOBFMCL-QGZVFWFLSA-N 1 3 366.347 3.052 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000433202727 500647151 /nfs/dbraw/zinc/64/71/51/500647151.db2.gz SVSJXNQUGGTOCH-UHFFFAOYSA-N 1 3 371.569 3.251 20 0 FGADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443054794 500669733 /nfs/dbraw/zinc/66/97/33/500669733.db2.gz AEOWYGDTVSUUBV-RTBURBONSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072490 500674202 /nfs/dbraw/zinc/67/42/02/500674202.db2.gz NOBGTMINJIRYQL-CHWSQXEVSA-N 1 3 358.313 3.231 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072491 500674554 /nfs/dbraw/zinc/67/45/54/500674554.db2.gz NOBGTMINJIRYQL-OLZOCXBDSA-N 1 3 358.313 3.231 20 0 FGADHO C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CCN1Cc1ccccc1 ZINC000433367980 500682014 /nfs/dbraw/zinc/68/20/14/500682014.db2.gz RVZTWROLJBDRDG-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447982217 500701379 /nfs/dbraw/zinc/70/13/79/500701379.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447982217 500701382 /nfs/dbraw/zinc/70/13/82/500701382.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438102371 500738447 /nfs/dbraw/zinc/73/84/47/500738447.db2.gz VRYIERMEESACBX-UHFFFAOYSA-N 1 3 362.543 3.461 20 0 FGADHO Cc1ccc2nc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)n2c1 ZINC000443597271 500743220 /nfs/dbraw/zinc/74/32/20/500743220.db2.gz CNWCHIYXWHUOQP-UHFFFAOYSA-N 1 3 368.525 3.091 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000443652708 500750069 /nfs/dbraw/zinc/75/00/69/500750069.db2.gz LOIWOMPWEFNUJQ-LPHOPBHVSA-N 1 3 362.562 3.127 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678814 500754625 /nfs/dbraw/zinc/75/46/25/500754625.db2.gz DIZWNERTNDYYSU-AZUAARDMSA-N 1 3 374.573 3.269 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037461 500907258 /nfs/dbraw/zinc/90/72/58/500907258.db2.gz NIDUIXBYPRHZTG-HXUWFJFHSA-N 1 3 374.504 3.159 20 0 FGADHO COc1cccc2c(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cccc12 ZINC000449036098 500907602 /nfs/dbraw/zinc/90/76/02/500907602.db2.gz ITDSQXBZDHQPNQ-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000444845291 500909765 /nfs/dbraw/zinc/90/97/65/500909765.db2.gz GDRJXIOLQWHYCB-SFHVURJKSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000444845291 500909767 /nfs/dbraw/zinc/90/97/67/500909767.db2.gz GDRJXIOLQWHYCB-SFHVURJKSA-N 1 3 352.567 3.062 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080180 500919156 /nfs/dbraw/zinc/91/91/56/500919156.db2.gz TYMCILVFCOWSLZ-UHFFFAOYSA-N 1 3 372.326 3.096 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095878 500924178 /nfs/dbraw/zinc/92/41/78/500924178.db2.gz CEILHYIKIGIGOQ-XWTMOSNGSA-N 1 3 366.571 3.150 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095878 500924180 /nfs/dbraw/zinc/92/41/80/500924180.db2.gz CEILHYIKIGIGOQ-XWTMOSNGSA-N 1 3 366.571 3.150 20 0 FGADHO COCCN1CCC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114696 500928353 /nfs/dbraw/zinc/92/83/53/500928353.db2.gz DQGLEKAJMMRREW-IBGZPJMESA-N 1 3 353.595 3.366 20 0 FGADHO CN(C)CC[NH+]1CCC(CNCc2cc(Cl)sc2Cl)CC1 ZINC000449132138 500931932 /nfs/dbraw/zinc/93/19/32/500931932.db2.gz SDVUVETUBIQLEB-UHFFFAOYSA-N 1 3 350.359 3.418 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000449244698 500955671 /nfs/dbraw/zinc/95/56/71/500955671.db2.gz VEESJKMVSAXDIQ-IBGZPJMESA-N 1 3 354.579 3.433 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](CCO)C2CCOCC2)CC1 ZINC000449244698 500955672 /nfs/dbraw/zinc/95/56/72/500955672.db2.gz VEESJKMVSAXDIQ-IBGZPJMESA-N 1 3 354.579 3.433 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2C)cc1 ZINC000435385437 500964927 /nfs/dbraw/zinc/96/49/27/500964927.db2.gz QBZKQTJJEGJGDR-NYVOZVTQSA-N 1 3 368.525 3.116 20 0 FGADHO Cc1cccc(CN2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325638 500977515 /nfs/dbraw/zinc/97/75/15/500977515.db2.gz OHEZDGQRGWTHQP-ROUUACIJSA-N 1 3 364.505 3.224 20 0 FGADHO CC(C)COc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000449326495 500978435 /nfs/dbraw/zinc/97/84/35/500978435.db2.gz WOQXAPHLQGPEBD-UHFFFAOYSA-N 1 3 359.558 3.181 20 0 FGADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1cccc(F)c1 ZINC000449365031 500987986 /nfs/dbraw/zinc/98/79/86/500987986.db2.gz UWKQAZBHMFQSEH-JOCHJYFZSA-N 1 3 356.485 3.026 20 0 FGADHO O=C(CNC1(c2ccccc2)CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000440927872 501064623 /nfs/dbraw/zinc/06/46/23/501064623.db2.gz MGEXPOZYSUJMMZ-UHFFFAOYSA-N 1 3 355.526 3.179 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441042318 501079236 /nfs/dbraw/zinc/07/92/36/501079236.db2.gz QGXRYOAVYLQRLM-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000441185145 501099862 /nfs/dbraw/zinc/09/98/62/501099862.db2.gz YQWPFDHJGUPTJY-NRFANRHFSA-N 1 3 371.569 3.322 20 0 FGADHO CC1(C)CCc2ccccc2[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000436288221 501102216 /nfs/dbraw/zinc/10/22/16/501102216.db2.gz DUBUEXDNYZZNLS-JOCHJYFZSA-N 1 3 373.585 3.070 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CNCc2ccccc21 ZINC000582466766 506237190 /nfs/dbraw/zinc/23/71/90/506237190.db2.gz MDVYWTBGUOUFAB-JOCHJYFZSA-N 1 3 363.505 3.176 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000607721813 506237422 /nfs/dbraw/zinc/23/74/22/506237422.db2.gz VDAPBCUJGQUSAS-DLBZAZTESA-N 1 3 362.518 3.011 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@H]4C)CC3)C2)n(C)n1 ZINC000446920534 501181327 /nfs/dbraw/zinc/18/13/27/501181327.db2.gz MNLKJOCNZGPDGR-JRGCBEDISA-N 1 3 373.589 3.330 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000450319467 501232984 /nfs/dbraw/zinc/23/29/84/501232984.db2.gz LVRQLZDHLBBKTI-MRXNPFEDSA-N 1 3 357.498 3.303 20 0 FGADHO CC(C)Oc1ccc2nccc(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000450319467 501232986 /nfs/dbraw/zinc/23/29/86/501232986.db2.gz LVRQLZDHLBBKTI-MRXNPFEDSA-N 1 3 357.498 3.303 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000451323651 501264947 /nfs/dbraw/zinc/26/49/47/501264947.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000451323651 501264949 /nfs/dbraw/zinc/26/49/49/501264949.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 1 3 369.553 3.422 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)CO2 ZINC000453108439 501271125 /nfs/dbraw/zinc/27/11/25/501271125.db2.gz NTYKJXJBOMQHLQ-LJQANCHMSA-N 1 3 370.493 3.119 20 0 FGADHO CCC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108009 501271220 /nfs/dbraw/zinc/27/12/20/501271220.db2.gz JZKDOEKQBDLUQQ-RTWAWAEBSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccncn1 ZINC000453138412 501276871 /nfs/dbraw/zinc/27/68/71/501276871.db2.gz RANNDVXQTBAGJV-SFHVURJKSA-N 1 3 354.498 3.199 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457648831 501277025 /nfs/dbraw/zinc/27/70/25/501277025.db2.gz KUCXWATUENZWMS-GOSISDBHSA-N 1 3 372.557 3.153 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457648831 501277027 /nfs/dbraw/zinc/27/70/27/501277027.db2.gz KUCXWATUENZWMS-GOSISDBHSA-N 1 3 372.557 3.153 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453153530 501280533 /nfs/dbraw/zinc/28/05/33/501280533.db2.gz VFPKNHGVKDDFBW-BQJUDKOJSA-N 1 3 355.526 3.030 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453153530 501280536 /nfs/dbraw/zinc/28/05/36/501280536.db2.gz VFPKNHGVKDDFBW-BQJUDKOJSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@](O)(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165134 501282722 /nfs/dbraw/zinc/28/27/22/501282722.db2.gz AYWSDXRCCICYDY-BDXSIMOUSA-N 1 3 356.432 3.333 20 0 FGADHO CCn1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)c1=O ZINC000453208530 501291898 /nfs/dbraw/zinc/29/18/98/501291898.db2.gz BYLUZACOOSBVIP-BDTNDASRSA-N 1 3 365.521 3.401 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1cccnc1 ZINC000453234374 501295684 /nfs/dbraw/zinc/29/56/84/501295684.db2.gz SGHYOGRHIVUWHO-GPJHCHHRSA-N 1 3 365.521 3.190 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1cccnc1 ZINC000453234374 501295686 /nfs/dbraw/zinc/29/56/86/501295686.db2.gz SGHYOGRHIVUWHO-GPJHCHHRSA-N 1 3 365.521 3.190 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000457800924 501311706 /nfs/dbraw/zinc/31/17/06/501311706.db2.gz XXEGZOGKPHUUPI-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000457800924 501311708 /nfs/dbraw/zinc/31/17/08/501311708.db2.gz XXEGZOGKPHUUPI-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453316727 501313959 /nfs/dbraw/zinc/31/39/59/501313959.db2.gz JXRDZWHOIQOYDD-BMXMUORJSA-N 1 3 372.553 3.318 20 0 FGADHO Cn1nncc1CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597254 501357524 /nfs/dbraw/zinc/35/75/24/501357524.db2.gz LEWJAVAYGABTEB-QFIPXVFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cn1nncc1C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453597254 501357526 /nfs/dbraw/zinc/35/75/26/501357526.db2.gz LEWJAVAYGABTEB-QFIPXVFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cn1nncc1C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453597254 501357528 /nfs/dbraw/zinc/35/75/28/501357528.db2.gz LEWJAVAYGABTEB-QFIPXVFZSA-N 1 3 367.541 3.472 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000458093794 501371003 /nfs/dbraw/zinc/37/10/03/501371003.db2.gz QNJLWMGFJGKIOA-HXUWFJFHSA-N 1 3 374.573 3.461 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458273189 501408350 /nfs/dbraw/zinc/40/83/50/501408350.db2.gz AIPDRCJASCUYOJ-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CCCCC4)C3)ccc21 ZINC000455892908 501408846 /nfs/dbraw/zinc/40/88/46/501408846.db2.gz CACJDNGJLCSOSU-UYAOXDASSA-N 1 3 356.514 3.328 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505987 501461296 /nfs/dbraw/zinc/46/12/96/501461296.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505987 501461298 /nfs/dbraw/zinc/46/12/98/501461298.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454320012 501512694 /nfs/dbraw/zinc/51/26/94/501512694.db2.gz LGWCFZGSBLATSY-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454320012 501512696 /nfs/dbraw/zinc/51/26/96/501512696.db2.gz LGWCFZGSBLATSY-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc(OC)c1OC ZINC000459371034 501641140 /nfs/dbraw/zinc/64/11/40/501641140.db2.gz HXQHKAFLLFQBNU-OAHLLOKOSA-N 1 3 371.481 3.427 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000457058075 501642787 /nfs/dbraw/zinc/64/27/87/501642787.db2.gz VNYDHGOMHCSDCP-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078025 501645796 /nfs/dbraw/zinc/64/57/96/501645796.db2.gz AHZYVEIMWADLNK-FQEVSTJZSA-N 1 3 357.542 3.230 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1Oc1ccccc1 ZINC000459497260 501663982 /nfs/dbraw/zinc/66/39/82/501663982.db2.gz IYHZIJDXKHYKSM-VSKRKVRLSA-N 1 3 367.493 3.265 20 0 FGADHO C[NH+](C)CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000460285991 501780615 /nfs/dbraw/zinc/78/06/15/501780615.db2.gz FAIARRQDMMXZCN-FQEVSTJZSA-N 1 3 357.542 3.452 20 0 FGADHO CCCN1CCN(c2ccccc2CN(C)CCC[NH+]2CCCC2)CC1 ZINC000467515895 501814020 /nfs/dbraw/zinc/81/40/20/501814020.db2.gz BRTAKFDIEGDLNL-UHFFFAOYSA-N 1 3 358.574 3.136 20 0 FGADHO C[NH+](C)CC1(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000460511041 501844476 /nfs/dbraw/zinc/84/44/76/501844476.db2.gz SYHYWGYIGZULHY-FQEVSTJZSA-N 1 3 357.542 3.452 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520464 501847617 /nfs/dbraw/zinc/84/76/17/501847617.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520464 501847621 /nfs/dbraw/zinc/84/76/21/501847621.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000485883485 501974833 /nfs/dbraw/zinc/97/48/33/501974833.db2.gz NXOWYILBFBATHR-WIYYLYMNSA-N 1 3 357.542 3.402 20 0 FGADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000485883484 501975581 /nfs/dbraw/zinc/97/55/81/501975581.db2.gz NXOWYILBFBATHR-RXVVDRJESA-N 1 3 357.542 3.402 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+]C(C)(C)CCc1ccccc1)c1ccccc1 ZINC000475015444 502021784 /nfs/dbraw/zinc/02/17/84/502021784.db2.gz IFLFMWMPCJJLGM-OAQYLSRUSA-N 1 3 367.537 3.407 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746937 502074173 /nfs/dbraw/zinc/07/41/73/502074173.db2.gz NBIKFUDFUGVAIW-QGZVFWFLSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746937 502074178 /nfs/dbraw/zinc/07/41/78/502074178.db2.gz NBIKFUDFUGVAIW-QGZVFWFLSA-N 1 3 370.900 3.359 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429400 502110992 /nfs/dbraw/zinc/11/09/92/502110992.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 1 3 369.553 3.228 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429400 502110994 /nfs/dbraw/zinc/11/09/94/502110994.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 1 3 369.553 3.228 20 0 FGADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429402 502111290 /nfs/dbraw/zinc/11/12/90/502111290.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 1 3 369.553 3.228 20 0 FGADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429402 502111293 /nfs/dbraw/zinc/11/12/93/502111293.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 1 3 369.553 3.228 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479186675 502187542 /nfs/dbraw/zinc/18/75/42/502187542.db2.gz MKVHWAYJENXYRJ-HXUWFJFHSA-N 1 3 357.473 3.025 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479186675 502187550 /nfs/dbraw/zinc/18/75/50/502187550.db2.gz MKVHWAYJENXYRJ-HXUWFJFHSA-N 1 3 357.473 3.025 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000461743278 502188736 /nfs/dbraw/zinc/18/87/36/502188736.db2.gz UQSJFSYLXYPEEI-UHFFFAOYSA-N 1 3 374.573 3.023 20 0 FGADHO CN1CCC(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000486758723 502252033 /nfs/dbraw/zinc/25/20/33/502252033.db2.gz ZJYHPHPVKYCCGI-UHFFFAOYSA-N 1 3 359.514 3.222 20 0 FGADHO CN1CCC(n2ccc(NCC(C)(C)C[N@H+](C)Cc3ccccc3)n2)CC1 ZINC000486800072 502265825 /nfs/dbraw/zinc/26/58/25/502265825.db2.gz RREVMWJBTBLEOO-UHFFFAOYSA-N 1 3 369.557 3.142 20 0 FGADHO CN1CCC(n2ccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)n2)CC1 ZINC000486800072 502265830 /nfs/dbraw/zinc/26/58/30/502265830.db2.gz RREVMWJBTBLEOO-UHFFFAOYSA-N 1 3 369.557 3.142 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006372 502329629 /nfs/dbraw/zinc/32/96/29/502329629.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006372 502329630 /nfs/dbraw/zinc/32/96/30/502329630.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000483260060 502331314 /nfs/dbraw/zinc/33/13/14/502331314.db2.gz PXIFPWCTMHHQJZ-KRWDZBQOSA-N 1 3 360.546 3.200 20 0 FGADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000483260060 502331320 /nfs/dbraw/zinc/33/13/20/502331320.db2.gz PXIFPWCTMHHQJZ-KRWDZBQOSA-N 1 3 360.546 3.200 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487064046 502346831 /nfs/dbraw/zinc/34/68/31/502346831.db2.gz BMOXYOBKEBWWSO-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000487064046 502346837 /nfs/dbraw/zinc/34/68/37/502346837.db2.gz BMOXYOBKEBWWSO-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709731 502355692 /nfs/dbraw/zinc/35/56/92/502355692.db2.gz DZBRIPPWCAILED-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709731 502355696 /nfs/dbraw/zinc/35/56/96/502355696.db2.gz DZBRIPPWCAILED-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368128 /nfs/dbraw/zinc/36/81/28/502368128.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 1 3 372.557 3.195 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368129 /nfs/dbraw/zinc/36/81/29/502368129.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 1 3 372.557 3.195 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000465814887 502392751 /nfs/dbraw/zinc/39/27/51/502392751.db2.gz MWAHGCCKIMLPAD-SFTDATJTSA-N 1 3 372.557 3.258 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000469434695 502416124 /nfs/dbraw/zinc/41/61/24/502416124.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000469434695 502416127 /nfs/dbraw/zinc/41/61/27/502416127.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 1 3 372.557 3.069 20 0 FGADHO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000469481347 502433536 /nfs/dbraw/zinc/43/35/36/502433536.db2.gz GWVLZJWBZZODLP-UHFFFAOYSA-N 1 3 365.521 3.317 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C[C@@H]1C ZINC000483767197 502486960 /nfs/dbraw/zinc/48/69/60/502486960.db2.gz GAYRENQBBYCMKW-IHPCNDPISA-N 1 3 360.546 3.112 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C[C@@H]1C ZINC000483767197 502486964 /nfs/dbraw/zinc/48/69/64/502486964.db2.gz GAYRENQBBYCMKW-IHPCNDPISA-N 1 3 360.546 3.112 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000582594247 506317001 /nfs/dbraw/zinc/31/70/01/506317001.db2.gz FIFRSQKSICRXIE-MRXNPFEDSA-N 1 3 358.530 3.354 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000582594247 506317010 /nfs/dbraw/zinc/31/70/10/506317010.db2.gz FIFRSQKSICRXIE-MRXNPFEDSA-N 1 3 358.530 3.354 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473020429 502502549 /nfs/dbraw/zinc/50/25/49/502502549.db2.gz JTQQCNPYDCATMI-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473020429 502502554 /nfs/dbraw/zinc/50/25/54/502502554.db2.gz JTQQCNPYDCATMI-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000588709829 506317642 /nfs/dbraw/zinc/31/76/42/506317642.db2.gz DTULDVXGASFGTN-QEUVDIPISA-N 1 3 352.563 3.403 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462628267 502512779 /nfs/dbraw/zinc/51/27/79/502512779.db2.gz DMFAZGSSJBJUBO-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462628267 502512786 /nfs/dbraw/zinc/51/27/86/502512786.db2.gz DMFAZGSSJBJUBO-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747156 502521133 /nfs/dbraw/zinc/52/11/33/502521133.db2.gz FRCFCQJEBRCCEL-ZGBFETHSSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747156 502521138 /nfs/dbraw/zinc/52/11/38/502521138.db2.gz FRCFCQJEBRCCEL-ZGBFETHSSA-N 1 3 361.505 3.104 20 0 FGADHO CCCCN(CC)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469783973 502544575 /nfs/dbraw/zinc/54/45/75/502544575.db2.gz SRLNBGDFDNVSJT-OALUTQOASA-N 1 3 359.558 3.381 20 0 FGADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748966 502557073 /nfs/dbraw/zinc/55/70/73/502557073.db2.gz GLKHVJHGBXRDES-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748966 502557077 /nfs/dbraw/zinc/55/70/77/502557077.db2.gz GLKHVJHGBXRDES-OAQYLSRUSA-N 1 3 372.557 3.026 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000473347545 502569856 /nfs/dbraw/zinc/56/98/56/502569856.db2.gz RQFGLUGJIROVHU-OAQYLSRUSA-N 1 3 359.558 3.320 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965686 502582590 /nfs/dbraw/zinc/58/25/90/502582590.db2.gz WWBQYHOVNDEQSF-ZTFGCOKTSA-N 1 3 351.922 3.037 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965686 502582593 /nfs/dbraw/zinc/58/25/93/502582593.db2.gz WWBQYHOVNDEQSF-ZTFGCOKTSA-N 1 3 351.922 3.037 20 0 FGADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817005 502585279 /nfs/dbraw/zinc/58/52/79/502585279.db2.gz NDSKIKQSFDENIZ-RTWAWAEBSA-N 1 3 364.505 3.384 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885392 502613146 /nfs/dbraw/zinc/61/31/46/502613146.db2.gz UPHJWAYLPMFFNA-JOCHJYFZSA-N 1 3 365.521 3.307 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000484284821 502615154 /nfs/dbraw/zinc/61/51/54/502615154.db2.gz PPMQWMGVABXGMA-WSTZPKSXSA-N 1 3 360.546 3.099 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc(CN(C)C)c1 ZINC000480597941 502615195 /nfs/dbraw/zinc/61/51/95/502615195.db2.gz ZGDBASZSIXQJEU-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510107 502615548 /nfs/dbraw/zinc/61/55/48/502615548.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510107 502615555 /nfs/dbraw/zinc/61/55/55/502615555.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510106 502615862 /nfs/dbraw/zinc/61/58/62/502615862.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510106 502615868 /nfs/dbraw/zinc/61/58/68/502615868.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 1 3 369.553 3.376 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907370 502617434 /nfs/dbraw/zinc/61/74/34/502617434.db2.gz PWDFJFPEQFJANE-QZTJIDSGSA-N 1 3 364.534 3.130 20 0 FGADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(SC)cc1OC ZINC000470018045 502632327 /nfs/dbraw/zinc/63/23/27/502632327.db2.gz MNPXTCNLLNBOTM-INIZCTEOSA-N 1 3 350.528 3.390 20 0 FGADHO CC(C)[C@H](CN[C@@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654479 502634178 /nfs/dbraw/zinc/63/41/78/502634178.db2.gz SUDDGDKSFCAAGB-ILWGZMRPSA-N 1 3 359.558 3.158 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480757283 502663405 /nfs/dbraw/zinc/66/34/05/502663405.db2.gz BATOLHBKTJGQKY-QGZVFWFLSA-N 1 3 359.514 3.428 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCCN(C)CC2)c1 ZINC000473753035 502697109 /nfs/dbraw/zinc/69/71/09/502697109.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCCN(C)CC2)c1 ZINC000473753035 502697111 /nfs/dbraw/zinc/69/71/11/502697111.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)C ZINC000484772327 502736926 /nfs/dbraw/zinc/73/69/26/502736926.db2.gz PRUBJDWGEFJYEQ-UWJYYQICSA-N 1 3 372.557 3.160 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000470366029 502751968 /nfs/dbraw/zinc/75/19/68/502751968.db2.gz BGIQVTRBJSTEMK-APWZRJJASA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)[C@H]1c1cccs1 ZINC000470366029 502751973 /nfs/dbraw/zinc/75/19/73/502751973.db2.gz BGIQVTRBJSTEMK-APWZRJJASA-N 1 3 355.507 3.164 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CNC2 ZINC000470376788 502755436 /nfs/dbraw/zinc/75/54/36/502755436.db2.gz WGEKKVGOQUFBSR-UHFFFAOYSA-N 1 3 357.523 3.336 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000481177491 502774692 /nfs/dbraw/zinc/77/46/92/502774692.db2.gz ZYQQJFKTGLPRBY-WIYYLYMNSA-N 1 3 351.494 3.150 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504912984 502822962 /nfs/dbraw/zinc/82/29/62/502822962.db2.gz ATWVMNPHVQXWCB-NRFANRHFSA-N 1 3 372.557 3.263 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000495696490 502858456 /nfs/dbraw/zinc/85/84/56/502858456.db2.gz LOLVUNWWEKWYDI-RBUKOAKNSA-N 1 3 363.571 3.036 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000495696490 502858457 /nfs/dbraw/zinc/85/84/57/502858457.db2.gz LOLVUNWWEKWYDI-RBUKOAKNSA-N 1 3 363.571 3.036 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500823340 502871160 /nfs/dbraw/zinc/87/11/60/502871160.db2.gz AHIOIELRCWCHDR-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500823340 502871161 /nfs/dbraw/zinc/87/11/61/502871161.db2.gz AHIOIELRCWCHDR-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000497400842 502949906 /nfs/dbraw/zinc/94/99/06/502949906.db2.gz JTZLQWONDVPXKM-FCHUYYIVSA-N 1 3 372.472 3.075 20 0 FGADHO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000497400842 502949907 /nfs/dbraw/zinc/94/99/07/502949907.db2.gz JTZLQWONDVPXKM-FCHUYYIVSA-N 1 3 372.472 3.075 20 0 FGADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000497417600 502953755 /nfs/dbraw/zinc/95/37/55/502953755.db2.gz ODNLVOSBJUMSET-FCHUYYIVSA-N 1 3 363.505 3.110 20 0 FGADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513683002 502999919 /nfs/dbraw/zinc/99/99/19/502999919.db2.gz DYLNNOUGCSHLKC-PSWRPDDJSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683002 502999923 /nfs/dbraw/zinc/99/99/23/502999923.db2.gz DYLNNOUGCSHLKC-PSWRPDDJSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683002 502999927 /nfs/dbraw/zinc/99/99/27/502999927.db2.gz DYLNNOUGCSHLKC-PSWRPDDJSA-N 1 3 369.553 3.278 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489811549 503040754 /nfs/dbraw/zinc/04/07/54/503040754.db2.gz QFINFXBVSAVWCZ-LEWJYISDSA-N 1 3 374.573 3.065 20 0 FGADHO CCC1(CNC(=O)NC[C@@H]2CCCN2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514016407 503069845 /nfs/dbraw/zinc/06/98/45/503069845.db2.gz WDAAMOOXWWSMHI-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000501785341 503079332 /nfs/dbraw/zinc/07/93/32/503079332.db2.gz KUFPVBUPHDYNAR-NRFANRHFSA-N 1 3 362.558 3.405 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093528 503085409 /nfs/dbraw/zinc/08/54/09/503085409.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093528 503085413 /nfs/dbraw/zinc/08/54/13/503085413.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093528 503085418 /nfs/dbraw/zinc/08/54/18/503085418.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO C[N@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205762 503112340 /nfs/dbraw/zinc/11/23/40/503112340.db2.gz GKSOZWYOPCMIRS-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205762 503112343 /nfs/dbraw/zinc/11/23/43/503112343.db2.gz GKSOZWYOPCMIRS-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000490172697 503122023 /nfs/dbraw/zinc/12/20/23/503122023.db2.gz QCCZVTSGDRTULG-FXAWDEMLSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000490172697 503122027 /nfs/dbraw/zinc/12/20/27/503122027.db2.gz QCCZVTSGDRTULG-FXAWDEMLSA-N 1 3 360.546 3.242 20 0 FGADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198171 503128476 /nfs/dbraw/zinc/12/84/76/503128476.db2.gz JXNLTNOLTHUMLS-KRWDZBQOSA-N 1 3 365.468 3.016 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000490219161 503133546 /nfs/dbraw/zinc/13/35/46/503133546.db2.gz WBPUFZWBJHXGLZ-WMZOPIPTSA-N 1 3 364.534 3.130 20 0 FGADHO Cc1cc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997231 503258608 /nfs/dbraw/zinc/25/86/08/503258608.db2.gz RVFJKMGIXCQIQB-NZQKXSOJSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997231 503258611 /nfs/dbraw/zinc/25/86/11/503258611.db2.gz RVFJKMGIXCQIQB-NZQKXSOJSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C(C)C ZINC000490997231 503258615 /nfs/dbraw/zinc/25/86/15/503258615.db2.gz RVFJKMGIXCQIQB-NZQKXSOJSA-N 1 3 373.585 3.455 20 0 FGADHO C[C@H]1CN(CCOc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491020165 503262311 /nfs/dbraw/zinc/26/23/11/503262311.db2.gz NBHRIFJIGSBZDV-SIKLNZKXSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@H]1C[N@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491020165 503262313 /nfs/dbraw/zinc/26/23/13/503262313.db2.gz NBHRIFJIGSBZDV-SIKLNZKXSA-N 1 3 373.585 3.321 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CCN(C)CC1 ZINC000491020165 503262316 /nfs/dbraw/zinc/26/23/16/503262316.db2.gz NBHRIFJIGSBZDV-SIKLNZKXSA-N 1 3 373.585 3.321 20 0 FGADHO CCN(CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792690 503273106 /nfs/dbraw/zinc/27/31/06/503273106.db2.gz DSGCUODQIAOVHX-SFHVURJKSA-N 1 3 372.557 3.434 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000502811783 503279130 /nfs/dbraw/zinc/27/91/30/503279130.db2.gz CZBXUQCUNYINQM-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000511264859 503290484 /nfs/dbraw/zinc/29/04/84/503290484.db2.gz GYEAMJCNPZMZBI-JOCHJYFZSA-N 1 3 365.521 3.315 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc3c(c2)CCCC3)C1 ZINC000491293495 503294841 /nfs/dbraw/zinc/29/48/41/503294841.db2.gz FCSKZZOJLFFETD-HSZRJFAPSA-N 1 3 350.506 3.422 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc3c(c2)CCCC3)C1 ZINC000491293495 503294843 /nfs/dbraw/zinc/29/48/43/503294843.db2.gz FCSKZZOJLFFETD-HSZRJFAPSA-N 1 3 350.506 3.422 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000502911204 503305753 /nfs/dbraw/zinc/30/57/53/503305753.db2.gz GCGBXBWOKKGJBP-OALUTQOASA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000502911204 503305756 /nfs/dbraw/zinc/30/57/56/503305756.db2.gz GCGBXBWOKKGJBP-OALUTQOASA-N 1 3 372.557 3.297 20 0 FGADHO CN1CCO[C@H]([C@H](NC2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443453 503338518 /nfs/dbraw/zinc/33/85/18/503338518.db2.gz SWRPCLAVDDVSIM-GHBBCFCZSA-N 1 3 365.949 3.174 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109557 503348497 /nfs/dbraw/zinc/34/84/97/503348497.db2.gz JSKRRMXLOLLKEJ-SJORKVTESA-N 1 3 364.534 3.130 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511585472 503348769 /nfs/dbraw/zinc/34/87/69/503348769.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511585472 503348772 /nfs/dbraw/zinc/34/87/72/503348772.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)N(C)C ZINC000499200489 503354203 /nfs/dbraw/zinc/35/42/03/503354203.db2.gz BZGIWVHVSMOXHS-ZVDOUQERSA-N 1 3 374.573 3.263 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)N(C)C ZINC000499200489 503354207 /nfs/dbraw/zinc/35/42/07/503354207.db2.gz BZGIWVHVSMOXHS-ZVDOUQERSA-N 1 3 374.573 3.263 20 0 FGADHO C[NH+](C)CCOCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000499233610 503361358 /nfs/dbraw/zinc/36/13/58/503361358.db2.gz NKSKAJFQNDIENX-UHFFFAOYSA-N 1 3 350.409 3.425 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492510952 503372829 /nfs/dbraw/zinc/37/28/29/503372829.db2.gz AHVKGALECDPWCJ-DYESRHJHSA-N 1 3 352.478 3.473 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000503423261 503406442 /nfs/dbraw/zinc/40/64/42/503406442.db2.gz SETKEYZUSFJVOB-LJQANCHMSA-N 1 3 361.505 3.030 20 0 FGADHO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000515879640 503416433 /nfs/dbraw/zinc/41/64/33/503416433.db2.gz CCXDISOPEOOPNH-HRAATJIYSA-N 1 3 373.516 3.342 20 0 FGADHO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000515879643 503416537 /nfs/dbraw/zinc/41/65/37/503416537.db2.gz CCXDISOPEOOPNH-KKSFZXQISA-N 1 3 373.516 3.342 20 0 FGADHO C[C@@H](C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000493824669 503447877 /nfs/dbraw/zinc/44/78/77/503447877.db2.gz TYQNOLKDQKVPHL-MOPGFXCFSA-N 1 3 353.510 3.131 20 0 FGADHO CCc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000512085379 503454576 /nfs/dbraw/zinc/45/45/76/503454576.db2.gz VIKFMPXKHSOGNV-UHFFFAOYSA-N 1 3 352.526 3.336 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695284 503459613 /nfs/dbraw/zinc/45/96/13/503459613.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695284 503459617 /nfs/dbraw/zinc/45/96/17/503459617.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000494068577 503482466 /nfs/dbraw/zinc/48/24/66/503482466.db2.gz IPQMOTRXIDFPPZ-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000512247388 503497723 /nfs/dbraw/zinc/49/77/23/503497723.db2.gz YPKBKVVUYOMAFX-QFBILLFUSA-N 1 3 365.477 3.132 20 0 FGADHO CN1CCC[C@@H](C[N@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508534918 503515115 /nfs/dbraw/zinc/51/51/15/503515115.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 1 3 365.315 3.499 20 0 FGADHO CN1CCC[C@@H](C[N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508534918 503515119 /nfs/dbraw/zinc/51/51/19/503515119.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 1 3 365.315 3.499 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505070 503553471 /nfs/dbraw/zinc/55/34/71/503553471.db2.gz JFBUONQDZYIWRO-DEICHXMPSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505070 503553474 /nfs/dbraw/zinc/55/34/74/503553474.db2.gz JFBUONQDZYIWRO-DEICHXMPSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000500102865 503554896 /nfs/dbraw/zinc/55/48/96/503554896.db2.gz ANLMSLGIJLHXIV-CLPROHDKSA-N 1 3 360.546 3.097 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000500130014 503561668 /nfs/dbraw/zinc/56/16/68/503561668.db2.gz BTKJDEUMQJCOON-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000494604674 503573353 /nfs/dbraw/zinc/57/33/53/503573353.db2.gz YPUWKAVCJAKJLF-QWFCFKBJSA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000494604674 503573357 /nfs/dbraw/zinc/57/33/57/503573357.db2.gz YPUWKAVCJAKJLF-QWFCFKBJSA-N 1 3 360.546 3.017 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000516916965 503618092 /nfs/dbraw/zinc/61/80/92/503618092.db2.gz PZWOLSGUJJFMEL-ICSRJNTNSA-N 1 3 360.546 3.012 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500541730 503644431 /nfs/dbraw/zinc/64/44/31/503644431.db2.gz WVFDZNWWCUSRTA-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671351 /nfs/dbraw/zinc/67/13/51/503671351.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 1 3 357.523 3.109 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671354 /nfs/dbraw/zinc/67/13/54/503671354.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 1 3 357.523 3.109 20 0 FGADHO COc1ccc(C[C@H](C)C[NH+]2CCC(OCCN(C)C)CC2)cc1F ZINC000546311104 503708153 /nfs/dbraw/zinc/70/81/53/503708153.db2.gz XZIZWCWNSIREAD-INIZCTEOSA-N 1 3 352.494 3.056 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000540301280 503732165 /nfs/dbraw/zinc/73/21/65/503732165.db2.gz GQCTZTUFOVNYFT-KRWDZBQOSA-N 1 3 366.509 3.407 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540301809 503732778 /nfs/dbraw/zinc/73/27/78/503732778.db2.gz JXDBZWNHGJZLDD-HXUWFJFHSA-N 1 3 363.933 3.323 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394221 503757266 /nfs/dbraw/zinc/75/72/66/503757266.db2.gz JMUGMLJJFUJQQX-QRVBRYPASA-N 1 3 370.541 3.280 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543706 503766411 /nfs/dbraw/zinc/76/64/11/503766411.db2.gz ZLBUZDUJYAIFEF-YLJYHZDGSA-N 1 3 372.557 3.384 20 0 FGADHO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000517667750 503802105 /nfs/dbraw/zinc/80/21/05/503802105.db2.gz FXSNFIABTXKZPO-IBGZPJMESA-N 1 3 359.558 3.176 20 0 FGADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000517667750 503802108 /nfs/dbraw/zinc/80/21/08/503802108.db2.gz FXSNFIABTXKZPO-IBGZPJMESA-N 1 3 359.558 3.176 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000543639318 503837554 /nfs/dbraw/zinc/83/75/54/503837554.db2.gz DAZWXDFXMVXVQX-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[NH+]1CCCC1 ZINC000543645187 503839316 /nfs/dbraw/zinc/83/93/16/503839316.db2.gz ZINWNQJSCNBUFC-XLIONFOSSA-N 1 3 366.594 3.259 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000543716283 503863581 /nfs/dbraw/zinc/86/35/81/503863581.db2.gz HYHRVVUKZQJLJM-FQEVSTJZSA-N 1 3 354.498 3.107 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCN1C1CCCC1 ZINC000527658182 503880260 /nfs/dbraw/zinc/88/02/60/503880260.db2.gz FRXTWRUJSKRWTD-OAQYLSRUSA-N 1 3 370.541 3.099 20 0 FGADHO OC1(CNC2CC[NH+](C[C@H]3CCOC3)CC2)CCC(c2ccccc2)CC1 ZINC000530232084 503885046 /nfs/dbraw/zinc/88/50/46/503885046.db2.gz XGZAMXHBQIEWSS-VWRAKTAISA-N 1 3 372.553 3.166 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963430 /nfs/dbraw/zinc/96/34/30/503963430.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 1 3 370.541 3.138 20 0 FGADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963436 /nfs/dbraw/zinc/96/34/36/503963436.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 1 3 370.541 3.138 20 0 FGADHO COc1cc(C)c(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999324 503970140 /nfs/dbraw/zinc/97/01/40/503970140.db2.gz KVIDBWGACZKLEH-IRXDYDNUSA-N 1 3 361.530 3.028 20 0 FGADHO CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000537617292 503976715 /nfs/dbraw/zinc/97/67/15/503976715.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 1 3 350.503 3.407 20 0 FGADHO CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC ZINC000537617292 503976721 /nfs/dbraw/zinc/97/67/21/503976721.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 1 3 350.503 3.407 20 0 FGADHO CCCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620238 503978791 /nfs/dbraw/zinc/97/87/91/503978791.db2.gz SNQDTLVGQVMWCX-SIKLNZKXSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620238 503978794 /nfs/dbraw/zinc/97/87/94/503978794.db2.gz SNQDTLVGQVMWCX-SIKLNZKXSA-N 1 3 359.558 3.323 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874794 503981785 /nfs/dbraw/zinc/98/17/85/503981785.db2.gz YOEJNKULPIBWSY-IPMKNSEASA-N 1 3 352.881 3.434 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@@H](C)O1 ZINC000530516658 503995181 /nfs/dbraw/zinc/99/51/81/503995181.db2.gz GXGORJJQGOZYRO-QWFCFKBJSA-N 1 3 350.547 3.299 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000541120851 504016269 /nfs/dbraw/zinc/01/62/69/504016269.db2.gz RGNRQKPRRKDLMR-HKUYNNGSSA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000541160017 504026388 /nfs/dbraw/zinc/02/63/88/504026388.db2.gz OKHSYTGYYZKDAE-IBGZPJMESA-N 1 3 366.594 3.262 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000541166904 504029297 /nfs/dbraw/zinc/02/92/97/504029297.db2.gz QTQKKDKHTPPCJK-UHFFFAOYSA-N 1 3 360.546 3.269 20 0 FGADHO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000528006534 504036850 /nfs/dbraw/zinc/03/68/50/504036850.db2.gz TVFBGZXETNUDNU-JLMWRMLUSA-N 1 3 363.505 3.314 20 0 FGADHO C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009640 504037872 /nfs/dbraw/zinc/03/78/72/504037872.db2.gz ZCSSFDYPUBULJX-HRAATJIYSA-N 1 3 367.493 3.105 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000528008709 504038189 /nfs/dbraw/zinc/03/81/89/504038189.db2.gz XAKAXRMFHXAZAM-YHYVQYDKSA-N 1 3 363.505 3.314 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000528008709 504038194 /nfs/dbraw/zinc/03/81/94/504038194.db2.gz XAKAXRMFHXAZAM-YHYVQYDKSA-N 1 3 363.505 3.314 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528016722 504041741 /nfs/dbraw/zinc/04/17/41/504041741.db2.gz UTXADYRAPZVRMQ-PCCBWWKXSA-N 1 3 369.553 3.135 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537973481 504099865 /nfs/dbraw/zinc/09/98/65/504099865.db2.gz LQKCNOVCWKEPOE-HXUWFJFHSA-N 1 3 371.912 3.409 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544358463 504103048 /nfs/dbraw/zinc/10/30/48/504103048.db2.gz IZWXTRRHMMXYHR-HXUWFJFHSA-N 1 3 367.493 3.233 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000538034233 504119493 /nfs/dbraw/zinc/11/94/93/504119493.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000538034233 504119497 /nfs/dbraw/zinc/11/94/97/504119497.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 1 3 351.579 3.467 20 0 FGADHO C[C@H](CN1CC[C@H](C(C)(C)C)[C@@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439469 504135206 /nfs/dbraw/zinc/13/52/06/504135206.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@H](CN1CC[C@H](C(C)(C)C)[C@@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439469 504135207 /nfs/dbraw/zinc/13/52/07/504135207.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439469 504135208 /nfs/dbraw/zinc/13/52/08/504135208.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 1 3 368.606 3.080 20 0 FGADHO C[C@@H](CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439469 504135209 /nfs/dbraw/zinc/13/52/09/504135209.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 1 3 368.606 3.080 20 0 FGADHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc2cccnc12 ZINC000544594242 504184545 /nfs/dbraw/zinc/18/45/45/504184545.db2.gz IBPBHGNQXHMYNL-UHFFFAOYSA-N 1 3 366.553 3.393 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221335 /nfs/dbraw/zinc/22/13/35/504221335.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221340 /nfs/dbraw/zinc/22/13/40/504221340.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO C[NH+](C)CC1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCC1 ZINC000544701752 504224649 /nfs/dbraw/zinc/22/46/49/504224649.db2.gz RKDTYGQKVSODOX-FQEVSTJZSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541762409 504246565 /nfs/dbraw/zinc/24/65/65/504246565.db2.gz OEUSGZCQGRIHRI-LJQANCHMSA-N 1 3 361.549 3.496 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799263 504258029 /nfs/dbraw/zinc/25/80/29/504258029.db2.gz TYRPQQWCWVWMSW-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799263 504258034 /nfs/dbraw/zinc/25/80/34/504258034.db2.gz TYRPQQWCWVWMSW-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000541826333 504265809 /nfs/dbraw/zinc/26/58/09/504265809.db2.gz PMEDCQJPCDLJSA-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000531345416 504273653 /nfs/dbraw/zinc/27/36/53/504273653.db2.gz ZYVNQQDRLWMXHQ-UHFFFAOYSA-N 1 3 364.578 3.299 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531728898 504406403 /nfs/dbraw/zinc/40/64/03/504406403.db2.gz VHMABVCAZOGODP-KBPBESRZSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531728898 504406407 /nfs/dbraw/zinc/40/64/07/504406407.db2.gz VHMABVCAZOGODP-KBPBESRZSA-N 1 3 373.419 3.234 20 0 FGADHO Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548482830 504461355 /nfs/dbraw/zinc/46/13/55/504461355.db2.gz GSTJVHNZHAEWDF-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482830 504461362 /nfs/dbraw/zinc/46/13/62/504461362.db2.gz GSTJVHNZHAEWDF-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482830 504461368 /nfs/dbraw/zinc/46/13/68/504461368.db2.gz GSTJVHNZHAEWDF-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000528971781 504475479 /nfs/dbraw/zinc/47/54/79/504475479.db2.gz SHXCLFUYHCKMMY-LJQANCHMSA-N 1 3 374.529 3.156 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000531965919 504488477 /nfs/dbraw/zinc/48/84/77/504488477.db2.gz VLZUSVZCQSVDCS-FQEVSTJZSA-N 1 3 371.912 3.409 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000532042435 504514878 /nfs/dbraw/zinc/51/48/78/504514878.db2.gz MOJCQNQSBWEIMB-QFIPXVFZSA-N 1 3 359.558 3.249 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000535806505 504551129 /nfs/dbraw/zinc/55/11/29/504551129.db2.gz ZFNVYJWRSMYMHQ-UNMCSNQZSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000535806505 504551135 /nfs/dbraw/zinc/55/11/35/504551135.db2.gz ZFNVYJWRSMYMHQ-UNMCSNQZSA-N 1 3 371.569 3.467 20 0 FGADHO COc1ccsc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000532212343 504573982 /nfs/dbraw/zinc/57/39/82/504573982.db2.gz CPIXLEHWOZHUPI-UHFFFAOYSA-N 1 3 373.566 3.444 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210617 504574547 /nfs/dbraw/zinc/57/45/47/504574547.db2.gz OVVXZUFNVNBJGR-MRXNPFEDSA-N 1 3 367.493 3.363 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C)CC[NH+](C)C ZINC000532217808 504576476 /nfs/dbraw/zinc/57/64/76/504576476.db2.gz JMTGIVSLMODJCX-QWHCGFSZSA-N 1 3 361.408 3.232 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520794946 504584297 /nfs/dbraw/zinc/58/42/97/504584297.db2.gz MGRWWJARXIMDHM-GBESFXJTSA-N 1 3 351.579 3.323 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520794946 504584302 /nfs/dbraw/zinc/58/43/02/504584302.db2.gz MGRWWJARXIMDHM-GBESFXJTSA-N 1 3 351.579 3.323 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@@H](C)CCO)CCC2)CC1 ZINC000539548084 504604711 /nfs/dbraw/zinc/60/47/11/504604711.db2.gz XCOJZNNIICGJFO-FQEVSTJZSA-N 1 3 373.585 3.497 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473541 504661941 /nfs/dbraw/zinc/66/19/41/504661941.db2.gz GJMRYARALMXNHV-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473541 504661946 /nfs/dbraw/zinc/66/19/46/504661946.db2.gz GJMRYARALMXNHV-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473541 504661951 /nfs/dbraw/zinc/66/19/51/504661951.db2.gz GJMRYARALMXNHV-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000521380929 504724466 /nfs/dbraw/zinc/72/44/66/504724466.db2.gz MQJOFHITWCKCCV-RTBURBONSA-N 1 3 359.558 3.176 20 0 FGADHO CC[NH+](CC)CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000532662822 504728584 /nfs/dbraw/zinc/72/85/84/504728584.db2.gz APGYSQCIABJOFA-UHFFFAOYSA-N 1 3 362.518 3.015 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000521589367 504761444 /nfs/dbraw/zinc/76/14/44/504761444.db2.gz YUVXGPCPCCZGIB-RTBURBONSA-N 1 3 357.542 3.007 20 0 FGADHO CC1(C)CCN(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000553059848 504817003 /nfs/dbraw/zinc/81/70/03/504817003.db2.gz SZCMNUVJJXYNPN-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000559321517 504833115 /nfs/dbraw/zinc/83/31/15/504833115.db2.gz PFGMIOPTAMCYPR-JOCHJYFZSA-N 1 3 359.558 3.249 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351290 504862910 /nfs/dbraw/zinc/86/29/10/504862910.db2.gz FGNDGWLUWMAXID-AZUAARDMSA-N 1 3 374.916 3.448 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536210 504915915 /nfs/dbraw/zinc/91/59/15/504915915.db2.gz YCQXNADRLBJLEZ-WIYYLYMNSA-N 1 3 356.510 3.290 20 0 FGADHO CN(C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861089 504919823 /nfs/dbraw/zinc/91/98/23/504919823.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 1 3 356.485 3.183 20 0 FGADHO CN(C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861089 504919827 /nfs/dbraw/zinc/91/98/27/504919827.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 1 3 356.485 3.183 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921377 /nfs/dbraw/zinc/92/13/77/504921377.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 1 3 359.558 3.301 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262723 505005433 /nfs/dbraw/zinc/00/54/33/505005433.db2.gz PJDAQYZMUNIPAX-HMXCVIKNSA-N 1 3 358.526 3.072 20 0 FGADHO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)n1 ZINC000560268829 505034878 /nfs/dbraw/zinc/03/48/78/505034878.db2.gz QCIKQUNHDBBQPB-KRWDZBQOSA-N 1 3 369.509 3.284 20 0 FGADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000563097731 505046773 /nfs/dbraw/zinc/04/67/73/505046773.db2.gz CBOHPVOGILIIDG-FQEVSTJZSA-N 1 3 371.912 3.061 20 0 FGADHO C[C@H](NCCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000566116077 505086300 /nfs/dbraw/zinc/08/63/00/505086300.db2.gz NVOPWNOXDVLQLT-ZDUSSCGKSA-N 1 3 370.335 3.344 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000566171940 505104146 /nfs/dbraw/zinc/10/41/46/505104146.db2.gz ICHMJYAMUISMFW-SFHVURJKSA-N 1 3 365.521 3.421 20 0 FGADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352341 505118240 /nfs/dbraw/zinc/11/82/40/505118240.db2.gz CBPZEKFOZXLEOC-LSDHHAIUSA-N 1 3 350.890 3.083 20 0 FGADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352341 505118243 /nfs/dbraw/zinc/11/82/43/505118243.db2.gz CBPZEKFOZXLEOC-LSDHHAIUSA-N 1 3 350.890 3.083 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000563375605 505126065 /nfs/dbraw/zinc/12/60/65/505126065.db2.gz DRJWEKUXZDOGFR-OXQOHEQNSA-N 1 3 373.541 3.216 20 0 FGADHO C[C@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000566296049 505137601 /nfs/dbraw/zinc/13/76/01/505137601.db2.gz MRVUOGUDUUFXOF-GOSISDBHSA-N 1 3 365.521 3.105 20 0 FGADHO O[C@H](C[NH2+]Cc1csc2c1cccc2Br)CN1CCCC1 ZINC000563439289 505141415 /nfs/dbraw/zinc/14/14/15/505141415.db2.gz LACZPZSMDXGCOB-CYBMUJFWSA-N 1 3 369.328 3.210 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525405 505156484 /nfs/dbraw/zinc/15/64/84/505156484.db2.gz LTPKLQHOHCWXDL-MRXNPFEDSA-N 1 3 352.592 3.289 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000563499221 505157686 /nfs/dbraw/zinc/15/76/86/505157686.db2.gz QWNNOSRSRZIKDV-HXUWFJFHSA-N 1 3 352.482 3.065 20 0 FGADHO Cc1nsc(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000566415133 505169545 /nfs/dbraw/zinc/16/95/45/505169545.db2.gz XHOAKHLBOLLMBA-UHFFFAOYSA-N 1 3 364.603 3.388 20 0 FGADHO CC(C)C[C@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000560729545 505172135 /nfs/dbraw/zinc/17/21/35/505172135.db2.gz GLLSSRGESBUKRP-IBGZPJMESA-N 1 3 359.558 3.381 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000563581363 505182715 /nfs/dbraw/zinc/18/27/15/505182715.db2.gz OSXGBGGJAXTGDT-UIBIWLFHSA-N 1 3 364.559 3.042 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000551266881 505189590 /nfs/dbraw/zinc/18/95/90/505189590.db2.gz HATQIMSIXYZLJL-RBBKRZOGSA-N 1 3 359.558 3.444 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667929 505205790 /nfs/dbraw/zinc/20/57/90/505205790.db2.gz XPUVHELGCLNZPH-WMZOPIPTSA-N 1 3 355.482 3.017 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000560920544 505211265 /nfs/dbraw/zinc/21/12/65/505211265.db2.gz SAEAKOXMLNMULQ-MJGOQNOKSA-N 1 3 362.514 3.006 20 0 FGADHO CCCN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000563799037 505242320 /nfs/dbraw/zinc/24/23/20/505242320.db2.gz JKPPKIPKLCOFKL-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000563804544 505243608 /nfs/dbraw/zinc/24/36/08/505243608.db2.gz YSNBVKZYIRVQGK-ZGXWSNOMSA-N 1 3 356.514 3.193 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000561193865 505276971 /nfs/dbraw/zinc/27/69/71/505276971.db2.gz PKHQRSDVAODAPR-MISYRCLQSA-N 1 3 372.557 3.117 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554864808 505284731 /nfs/dbraw/zinc/28/47/31/505284731.db2.gz GLBGILBWCVFRRQ-NQIIRXRSSA-N 1 3 363.505 3.424 20 0 FGADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1)C(C)(C)C ZINC000561341630 505320006 /nfs/dbraw/zinc/32/00/06/505320006.db2.gz YHIDAMUDPBNOER-HXUWFJFHSA-N 1 3 359.558 3.490 20 0 FGADHO CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065484 505388073 /nfs/dbraw/zinc/38/80/73/505388073.db2.gz BKUQJLUPQXRJPI-KJJMTIBFSA-N 1 3 358.526 3.072 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388085 /nfs/dbraw/zinc/38/80/85/505388085.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 1 3 356.558 3.109 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388087 /nfs/dbraw/zinc/38/80/87/505388087.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 1 3 356.558 3.109 20 0 FGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092030 505395981 /nfs/dbraw/zinc/39/59/81/505395981.db2.gz GWKWTKJATJGGTQ-CALCHBBNSA-N 1 3 360.498 3.127 20 0 FGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092030 505395985 /nfs/dbraw/zinc/39/59/85/505395985.db2.gz GWKWTKJATJGGTQ-CALCHBBNSA-N 1 3 360.498 3.127 20 0 FGADHO CCc1[nH+]c2ccccc2c(N2CC[C@H](N3CCN(CC)CC3)C2)c1C ZINC000558493634 505408021 /nfs/dbraw/zinc/40/80/21/505408021.db2.gz RPGYSBCIRLFRGV-SFHVURJKSA-N 1 3 352.526 3.322 20 0 FGADHO COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459321 505425557 /nfs/dbraw/zinc/42/55/57/505425557.db2.gz UWCXKRRBWCJTGI-KRWDZBQOSA-N 1 3 352.478 3.144 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760215 505428904 /nfs/dbraw/zinc/42/89/04/505428904.db2.gz APUODCFWEVSKLP-BXWFABGCSA-N 1 3 369.509 3.297 20 0 FGADHO Cc1ccc(C[C@@H]([NH2+]Cc2ccncc2OCCN(C)C)C2CC2)cc1 ZINC000561781829 505436363 /nfs/dbraw/zinc/43/63/63/505436363.db2.gz IABKKKGSGOUFAY-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO C[NH+](C)CCCCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000552369727 505475307 /nfs/dbraw/zinc/47/53/07/505475307.db2.gz BXGDKZQZVKZUAD-HXUWFJFHSA-N 1 3 359.558 3.308 20 0 FGADHO Clc1ccc([C@@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581142 505505499 /nfs/dbraw/zinc/50/54/99/505505499.db2.gz YXUANEAOJJLURV-WBVHZDCISA-N 1 3 359.905 3.351 20 0 FGADHO c1cn(-c2ccccc2CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646099 505523199 /nfs/dbraw/zinc/52/31/99/505523199.db2.gz TYFJCHPXAYFDTQ-UGKGYDQZSA-N 1 3 360.461 3.218 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564843659 505536045 /nfs/dbraw/zinc/53/60/45/505536045.db2.gz WZPIOZDANAPNHI-LJQANCHMSA-N 1 3 366.427 3.460 20 0 FGADHO C[C@H](OC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848462 505537926 /nfs/dbraw/zinc/53/79/26/505537926.db2.gz FEQFPELSACVEPC-WQANXHIZSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(Cl)cc1 ZINC000564848462 505537929 /nfs/dbraw/zinc/53/79/29/505537929.db2.gz FEQFPELSACVEPC-WQANXHIZSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@H](OC[C@H](O)CNCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864748 505543791 /nfs/dbraw/zinc/54/37/91/505543791.db2.gz SSTAENBSGZYMMM-QFBILLFUSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(Cl)cc1 ZINC000564864748 505543794 /nfs/dbraw/zinc/54/37/94/505543794.db2.gz SSTAENBSGZYMMM-QFBILLFUSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656139 506652467 /nfs/dbraw/zinc/65/24/67/506652467.db2.gz LDLOTPAVIKWRCN-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO CCN1CCN(CCC[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583232460 506662064 /nfs/dbraw/zinc/66/20/64/506662064.db2.gz YPISGESBDGKQEV-INIZCTEOSA-N 1 3 357.464 3.426 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232606 506849414 /nfs/dbraw/zinc/84/94/14/506849414.db2.gz WKEUWCKZMOSSGD-SFHVURJKSA-N 1 3 367.493 3.193 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(CC)CC)cc1 ZINC000612981865 506849822 /nfs/dbraw/zinc/84/98/22/506849822.db2.gz GFVXKOYYQRHBIU-WOJBJXKFSA-N 1 3 372.557 3.073 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901102 /nfs/dbraw/zinc/90/11/02/506901102.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 1 3 363.505 3.000 20 0 FGADHO CNC(=O)c1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901108 /nfs/dbraw/zinc/90/11/08/506901108.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 1 3 363.505 3.000 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000594133708 506965778 /nfs/dbraw/zinc/96/57/78/506965778.db2.gz TXMMZFCVPKFORZ-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000583930224 507056099 /nfs/dbraw/zinc/05/60/99/507056099.db2.gz UUNHLPCPUFYYFB-RBBKRZOGSA-N 1 3 358.526 3.048 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286664 507062808 /nfs/dbraw/zinc/06/28/08/507062808.db2.gz VWZZEQYXVRXDCQ-VQTJNVASSA-N 1 3 364.578 3.157 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286663 507063974 /nfs/dbraw/zinc/06/39/74/507063974.db2.gz VWZZEQYXVRXDCQ-UXHICEINSA-N 1 3 364.578 3.157 20 0 FGADHO CCOC(=O)C1([C@H](C)NC2(c3c(F)cccc3F)CCC2)CC[NH2+]CC1 ZINC000600714948 507078226 /nfs/dbraw/zinc/07/82/26/507078226.db2.gz VZVHBBLXNLVUBS-AWEZNQCLSA-N 1 3 366.452 3.255 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCSCC(C)C)CC2)CC1 ZINC000594329050 507081960 /nfs/dbraw/zinc/08/19/60/507081960.db2.gz UNXPYUYRLTZCIA-UHFFFAOYSA-N 1 3 369.619 3.078 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000600894799 507164514 /nfs/dbraw/zinc/16/45/14/507164514.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 1 3 372.557 3.087 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000600894799 507164521 /nfs/dbraw/zinc/16/45/21/507164521.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 1 3 372.557 3.087 20 0 FGADHO CC[NH+](CC)CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000601043432 507240383 /nfs/dbraw/zinc/24/03/83/507240383.db2.gz ZDOAUSMLZHLWOC-IBGZPJMESA-N 1 3 359.558 3.178 20 0 FGADHO CCN1CCN(c2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)CC1 ZINC000584266207 507244885 /nfs/dbraw/zinc/24/48/85/507244885.db2.gz ZSQKADIKNFECHV-UHFFFAOYSA-N 1 3 366.509 3.142 20 0 FGADHO CC(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCCC1 ZINC000591538301 507281935 /nfs/dbraw/zinc/28/19/35/507281935.db2.gz FFGNSVQTGXXYRR-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543848 507285129 /nfs/dbraw/zinc/28/51/29/507285129.db2.gz PTMJCEJKFJFBNL-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO C[N@H+](CCCNC(=O)N1CCC[C@H]1CN1CCCCC1)C1CCCCC1 ZINC000591558214 507292643 /nfs/dbraw/zinc/29/26/43/507292643.db2.gz ATQLIPIJRLHKFO-FQEVSTJZSA-N 1 3 364.578 3.301 20 0 FGADHO C[N@@H+](CCCNC(=O)N1CCC[C@H]1CN1CCCCC1)C1CCCCC1 ZINC000591558214 507292645 /nfs/dbraw/zinc/29/26/45/507292645.db2.gz ATQLIPIJRLHKFO-FQEVSTJZSA-N 1 3 364.578 3.301 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CSCCF)cc2)CC1 ZINC000595012540 507354509 /nfs/dbraw/zinc/35/45/09/507354509.db2.gz PPCOLXAPFNSWEN-QGZVFWFLSA-N 1 3 353.551 3.005 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595067857 507375789 /nfs/dbraw/zinc/37/57/89/507375789.db2.gz QGIQUSSIMJWXNG-QUGAMOGWSA-N 1 3 371.550 3.382 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000584799511 507511122 /nfs/dbraw/zinc/51/11/22/507511122.db2.gz LKDNMDYDOUQCMW-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000584799512 507511671 /nfs/dbraw/zinc/51/16/71/507511671.db2.gz LKDNMDYDOUQCMW-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CSC1(CNCc2ccnn2CCc2ccccc2)CC[NH+](C)CC1 ZINC000598644944 507530387 /nfs/dbraw/zinc/53/03/87/507530387.db2.gz VYGJMPKTPZOOOD-UHFFFAOYSA-N 1 3 358.555 3.043 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536967 /nfs/dbraw/zinc/53/69/67/507536967.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 1 3 358.404 3.382 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536970 /nfs/dbraw/zinc/53/69/70/507536970.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 1 3 358.404 3.382 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000595657236 507617039 /nfs/dbraw/zinc/61/70/39/507617039.db2.gz CLCQGEJWLSXOQD-VQTJNVASSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000595657236 507617046 /nfs/dbraw/zinc/61/70/46/507617046.db2.gz CLCQGEJWLSXOQD-VQTJNVASSA-N 1 3 360.546 3.243 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000623073166 568258575 /nfs/dbraw/zinc/25/85/75/568258575.db2.gz LNYCVLFDPJVYTB-WOJBJXKFSA-N 1 3 352.482 3.015 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000623073228 568258922 /nfs/dbraw/zinc/25/89/22/568258922.db2.gz PDECICDEYHCPTJ-WOJBJXKFSA-N 1 3 370.472 3.155 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820706392 606914962 /nfs/dbraw/zinc/91/49/62/606914962.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820706392 606914963 /nfs/dbraw/zinc/91/49/63/606914963.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820706392 606914964 /nfs/dbraw/zinc/91/49/64/606914964.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820706392 606914965 /nfs/dbraw/zinc/91/49/65/606914965.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877611 609133746 /nfs/dbraw/zinc/13/37/46/609133746.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 1 3 374.508 3.415 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877611 609133747 /nfs/dbraw/zinc/13/37/47/609133747.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 1 3 374.508 3.415 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877611 609133749 /nfs/dbraw/zinc/13/37/49/609133749.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 1 3 374.508 3.415 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877611 609133751 /nfs/dbraw/zinc/13/37/51/609133751.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 1 3 374.508 3.415 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000047683298 695866323 /nfs/dbraw/zinc/86/63/23/695866323.db2.gz ZIRWWHMCRHJQNT-KRWDZBQOSA-N 1 3 366.575 3.303 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000047683300 695866410 /nfs/dbraw/zinc/86/64/10/695866410.db2.gz ZIRWWHMCRHJQNT-QGZVFWFLSA-N 1 3 366.575 3.303 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000154922473 705055004 /nfs/dbraw/zinc/05/50/04/705055004.db2.gz RPUVMKNRUJKASC-KRWDZBQOSA-N 1 3 355.320 3.289 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000154922473 705055014 /nfs/dbraw/zinc/05/50/14/705055014.db2.gz RPUVMKNRUJKASC-KRWDZBQOSA-N 1 3 355.320 3.289 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193831026 713501147 /nfs/dbraw/zinc/50/11/47/713501147.db2.gz UNFDTYWWFPIEPT-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000301466924 713782158 /nfs/dbraw/zinc/78/21/58/713782158.db2.gz WMDNUBNEZFTKTJ-KZNAEPCWSA-N 1 3 353.551 3.391 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCC1(F)F ZINC000414299993 714004035 /nfs/dbraw/zinc/00/40/35/714004035.db2.gz LDAAJZRYPXZFIN-IEWDOMPSSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCC1(F)F ZINC000414299993 714004039 /nfs/dbraw/zinc/00/40/39/714004039.db2.gz LDAAJZRYPXZFIN-IEWDOMPSSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1(F)F ZINC000414299993 714004043 /nfs/dbraw/zinc/00/40/43/714004043.db2.gz LDAAJZRYPXZFIN-IEWDOMPSSA-N 1 3 350.453 3.035 20 0 FGADHO FC(F)(F)C1CCN(C2CC([NH2+]C3CCN(CC4CC4)CC3)C2)CC1 ZINC000525999134 714394963 /nfs/dbraw/zinc/39/49/63/714394963.db2.gz NVYLTIOBZDMIOI-UHFFFAOYSA-N 1 3 359.480 3.256 20 0 FGADHO Cc1cc(Br)cn2c(C[N@@H+](C)[C@H]3CCN(C)C[C@@H]3C)cnc12 ZINC000577902755 714470516 /nfs/dbraw/zinc/47/05/16/714470516.db2.gz RANYKRAMZVRMHJ-BBRMVZONSA-N 1 3 365.319 3.177 20 0 FGADHO Cc1cc(Br)cn2c(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)cnc12 ZINC000577902755 714470518 /nfs/dbraw/zinc/47/05/18/714470518.db2.gz RANYKRAMZVRMHJ-BBRMVZONSA-N 1 3 365.319 3.177 20 0 FGADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672313 714543766 /nfs/dbraw/zinc/54/37/66/714543766.db2.gz UBNMRRUGZTYSHR-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672313 714543769 /nfs/dbraw/zinc/54/37/69/714543769.db2.gz UBNMRRUGZTYSHR-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc2ccc(Cl)cc12 ZINC000617502294 714662784 /nfs/dbraw/zinc/66/27/84/714662784.db2.gz KOGDCPPWCQGFBY-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc2ccc(Cl)cc12 ZINC000617502294 714662787 /nfs/dbraw/zinc/66/27/87/714662787.db2.gz KOGDCPPWCQGFBY-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[NH+]1CCC(N2CCC(Nc3cnc4cc(Cl)ccc4n3)CC2)CC1 ZINC000623911076 715430663 /nfs/dbraw/zinc/43/06/63/715430663.db2.gz MLBDAKVRJFXDGH-UHFFFAOYSA-N 1 3 359.905 3.254 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624096058 715471220 /nfs/dbraw/zinc/47/12/20/715471220.db2.gz SFRJGQNJUVCCFG-QXAKKESOSA-N 1 3 351.485 3.216 20 0 FGADHO O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)CN1CCCC1 ZINC000629574497 716310755 /nfs/dbraw/zinc/31/07/55/716310755.db2.gz JUWNIJJPVQQANP-QGZVFWFLSA-N 1 3 365.930 3.052 20 0 FGADHO FC(F)(F)Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000631075262 716560266 /nfs/dbraw/zinc/56/02/66/716560266.db2.gz OUFXVDTYKFFJNK-QGZVFWFLSA-N 1 3 356.432 3.382 20 0 FGADHO O=c1c(CN2CCC(C[NH+]3CCCCCC3)CC2)cccn1C(F)F ZINC000637905602 717388941 /nfs/dbraw/zinc/38/89/41/717388941.db2.gz LNNVEWVQIYRURO-UHFFFAOYSA-N 1 3 353.457 3.331 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1SCCc2ccccc21 ZINC000644584917 718129042 /nfs/dbraw/zinc/12/90/42/718129042.db2.gz VABQAROBCNLSQH-PZJWPPBQSA-N 1 3 356.535 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1SCCc2ccccc21 ZINC000644584917 718129044 /nfs/dbraw/zinc/12/90/44/718129044.db2.gz VABQAROBCNLSQH-PZJWPPBQSA-N 1 3 356.535 3.100 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976830 718391479 /nfs/dbraw/zinc/39/14/79/718391479.db2.gz URYGHSUBBTVDCM-SZMVWBNQSA-N 1 3 363.933 3.229 20 0 FGADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000650566959 718699803 /nfs/dbraw/zinc/69/98/03/718699803.db2.gz NYHOGARCOSERAA-KRWDZBQOSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000650566959 718699808 /nfs/dbraw/zinc/69/98/08/718699808.db2.gz NYHOGARCOSERAA-KRWDZBQOSA-N 1 3 366.575 3.162 20 0 FGADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707927 718717289 /nfs/dbraw/zinc/71/72/89/718717289.db2.gz QDICMGHYXICPAE-LESCRADOSA-N 1 3 352.906 3.457 20 0 FGADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606438 719064072 /nfs/dbraw/zinc/06/40/72/719064072.db2.gz KLERSVVPBYDLDS-OALUTQOASA-N 1 3 354.922 3.100 20 0 FGADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606438 719064077 /nfs/dbraw/zinc/06/40/77/719064077.db2.gz KLERSVVPBYDLDS-OALUTQOASA-N 1 3 354.922 3.100 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623350 719105201 /nfs/dbraw/zinc/10/52/01/719105201.db2.gz CNFQIXFCXCZVFK-SFTDATJTSA-N 1 3 350.510 3.244 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623350 719105206 /nfs/dbraw/zinc/10/52/06/719105206.db2.gz CNFQIXFCXCZVFK-SFTDATJTSA-N 1 3 350.510 3.244 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442693 719293534 /nfs/dbraw/zinc/29/35/34/719293534.db2.gz VXJGJEPDIXHVRR-HLIPFELVSA-N 1 3 361.555 3.027 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092503 /nfs/dbraw/zinc/09/25/03/720092503.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 1 3 366.933 3.196 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092508 /nfs/dbraw/zinc/09/25/08/720092508.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 1 3 366.933 3.196 20 0 FGADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)C1(NC2CC2)CCC1 ZINC000662831889 720462176 /nfs/dbraw/zinc/46/21/76/720462176.db2.gz SMNCBECLBIDEPP-UHFFFAOYSA-N 1 3 359.539 3.488 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000664314371 720623352 /nfs/dbraw/zinc/62/33/52/720623352.db2.gz INQMRFXBVCBTJH-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000664314371 720623355 /nfs/dbraw/zinc/62/33/55/720623355.db2.gz INQMRFXBVCBTJH-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)c1Cl ZINC000664314127 720623405 /nfs/dbraw/zinc/62/34/05/720623405.db2.gz GSQJQZNOPYKTQU-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)c1Cl ZINC000664314127 720623408 /nfs/dbraw/zinc/62/34/08/720623408.db2.gz GSQJQZNOPYKTQU-LBPRGKRZSA-N 1 3 361.317 3.387 20 0 FGADHO CSc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1C ZINC000667294921 721069091 /nfs/dbraw/zinc/06/90/91/721069091.db2.gz NCSSURBXACOIDP-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO CSc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1C ZINC000667294921 721069095 /nfs/dbraw/zinc/06/90/95/721069095.db2.gz NCSSURBXACOIDP-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022099 721802790 /nfs/dbraw/zinc/80/27/90/721802790.db2.gz HVJMVHOHKZHALM-YSIASYRMSA-N 1 3 365.525 3.280 20 0 FGADHO CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022099 721802791 /nfs/dbraw/zinc/80/27/91/721802791.db2.gz HVJMVHOHKZHALM-YSIASYRMSA-N 1 3 365.525 3.280 20 0 FGADHO CC(C)[NH+]1CCN(C2CCN(Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000678295839 721950284 /nfs/dbraw/zinc/95/02/84/721950284.db2.gz INFUULCBCIYHRT-UHFFFAOYSA-N 1 3 362.587 3.401 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157434 725118741 /nfs/dbraw/zinc/11/87/41/725118741.db2.gz FVOGJLGYFPLEBK-AEFFLSMTSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157434 725118742 /nfs/dbraw/zinc/11/87/42/725118742.db2.gz FVOGJLGYFPLEBK-AEFFLSMTSA-N 1 3 357.885 3.079 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(CSC(F)F)o1 ZINC000809734839 725263457 /nfs/dbraw/zinc/26/34/57/725263457.db2.gz ROCIQKDBLNJFHU-UHFFFAOYSA-N 1 3 361.502 3.193 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082559 /nfs/dbraw/zinc/08/25/59/729082559.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 1 3 354.560 3.117 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082561 /nfs/dbraw/zinc/08/25/61/729082561.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 1 3 354.560 3.117 20 0 FGADHO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(CCC(C)(C)C)CC2)cc(Cl)n1 ZINC000827510004 729431104 /nfs/dbraw/zinc/43/11/04/729431104.db2.gz STHGZFDPXFMOTC-INIZCTEOSA-N 1 3 366.937 3.014 20 0 FGADHO C[C@](O)(C[NH2+]CCCN1CCCCC1)c1ccc(Br)cc1F ZINC000834353032 729795793 /nfs/dbraw/zinc/79/57/93/729795793.db2.gz AYIMSAXRTNDJOV-KRWDZBQOSA-N 1 3 373.310 3.261 20 0 FGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363612 730610805 /nfs/dbraw/zinc/61/08/05/730610805.db2.gz COVNJHCKSXIQJQ-UHFFFAOYSA-N 1 3 370.324 3.027 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399562 730614851 /nfs/dbraw/zinc/61/48/51/730614851.db2.gz KYYOJDWVIUMLJM-SQNIBIBYSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399562 730614856 /nfs/dbraw/zinc/61/48/56/730614856.db2.gz KYYOJDWVIUMLJM-SQNIBIBYSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399562 730614862 /nfs/dbraw/zinc/61/48/62/730614862.db2.gz KYYOJDWVIUMLJM-SQNIBIBYSA-N 1 3 353.551 3.342 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N(CC[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000844178480 730690982 /nfs/dbraw/zinc/69/09/82/730690982.db2.gz WWHOWBSWRXHORM-KRWDZBQOSA-N 1 3 360.889 3.028 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095536 731228847 /nfs/dbraw/zinc/22/88/47/731228847.db2.gz BITSRMWYTKCOSG-UPTPFMHGSA-N 1 3 352.885 3.265 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350521 731251557 /nfs/dbraw/zinc/25/15/57/731251557.db2.gz OZPASZSLESOQBE-HNNXBMFYSA-N 1 3 361.921 3.142 20 0 FGADHO CCOC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000850456627 731358716 /nfs/dbraw/zinc/35/87/16/731358716.db2.gz ASXFINDMZTWGOE-MRLCAUJQSA-N 1 3 351.535 3.286 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000853097710 731665287 /nfs/dbraw/zinc/66/52/87/731665287.db2.gz BALBEMVPEKUHAF-HXUWFJFHSA-N 1 3 359.901 3.270 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3cn(C)nc3Cl)CC2)cc1 ZINC000856768024 732056919 /nfs/dbraw/zinc/05/69/19/732056919.db2.gz MDKYLJXXHBONTJ-UHFFFAOYSA-N 1 3 362.905 3.084 20 0 FGADHO C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCCN(C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482241 732839981 /nfs/dbraw/zinc/83/99/81/732839981.db2.gz FVKKEYPLSYVKHJ-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO FC(F)(F)c1ccn([C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000873207888 735737891 /nfs/dbraw/zinc/73/78/91/735737891.db2.gz FLRIOGGVYSKOPQ-ZDUSSCGKSA-N 1 3 370.444 3.446 20 0 FGADHO Nc1c(Cl)cccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000877589397 736689801 /nfs/dbraw/zinc/68/98/01/736689801.db2.gz CKABOJSCNRKUSO-UHFFFAOYSA-N 1 3 359.901 3.039 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878321813 736806383 /nfs/dbraw/zinc/80/63/83/736806383.db2.gz HVYJYRJHOBOSDD-GOSISDBHSA-N 1 3 351.579 3.071 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411587 736827890 /nfs/dbraw/zinc/82/78/90/736827890.db2.gz LVMDSQILNXDVMU-NSHGMRRFSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411587 736827894 /nfs/dbraw/zinc/82/78/94/736827894.db2.gz LVMDSQILNXDVMU-NSHGMRRFSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411587 736827900 /nfs/dbraw/zinc/82/79/00/736827900.db2.gz LVMDSQILNXDVMU-NSHGMRRFSA-N 1 3 350.547 3.205 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869539 739312026 /nfs/dbraw/zinc/31/20/26/739312026.db2.gz BMJQQLZCQMODSQ-IBGZPJMESA-N 1 3 365.905 3.143 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000892085614 739963069 /nfs/dbraw/zinc/96/30/69/739963069.db2.gz HHKIALFCWVXYBU-KSZLIROESA-N 1 3 351.535 3.240 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893969029 742220413 /nfs/dbraw/zinc/22/04/13/742220413.db2.gz IDHBBJQBTSSEAT-HNNXBMFYSA-N 1 3 363.493 3.199 20 0 FGADHO C[NH+]1CCC(Oc2ccc(CNCc3cn4ccnc4s3)cc2)CC1 ZINC000894299378 742264732 /nfs/dbraw/zinc/26/47/32/742264732.db2.gz DVQHCDUUOMGOQW-UHFFFAOYSA-N 1 3 356.495 3.159 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1(C)C ZINC000894659865 742315806 /nfs/dbraw/zinc/31/58/06/742315806.db2.gz DPJLCEYEQKNTFU-UHFFFAOYSA-N 1 3 352.935 3.065 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H]1C(F)(F)F ZINC000895587368 742429881 /nfs/dbraw/zinc/42/98/81/742429881.db2.gz QBJJSHZDJLZRPY-QXSJWSMHSA-N 1 3 364.452 3.218 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336495 743734271 /nfs/dbraw/zinc/73/42/71/743734271.db2.gz MKGWXSQILJVJTO-CQSZACIVSA-N 1 3 353.894 3.045 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902434971 743743499 /nfs/dbraw/zinc/74/34/99/743743499.db2.gz QVQXOQZMASTPLW-WPZCVXBKSA-N 1 3 362.505 3.090 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440376 759488699 /nfs/dbraw/zinc/48/86/99/759488699.db2.gz RDYABJFKOZIJSM-QLFBSQMISA-N 1 3 370.335 3.384 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629015 759515134 /nfs/dbraw/zinc/51/51/34/759515134.db2.gz JQWDQDZVIZCURR-BNEJOLLZSA-N 1 3 351.897 3.331 20 0 FGADHO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925775314 759534651 /nfs/dbraw/zinc/53/46/51/759534651.db2.gz FPVOOXPQXBZUQE-NOZJJQNGSA-N 1 3 363.221 3.410 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925779965 759535432 /nfs/dbraw/zinc/53/54/32/759535432.db2.gz CNIQNNGGGBPDBA-FZMZJTMJSA-N 1 3 352.454 3.409 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925786662 759539350 /nfs/dbraw/zinc/53/93/50/759539350.db2.gz XRSGIWGTNYGWBX-UKRRQHHQSA-N 1 3 354.445 3.112 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839771 759555327 /nfs/dbraw/zinc/55/53/27/759555327.db2.gz DQBDKWORZKZMRP-OMWUSAIZSA-N 1 3 365.905 3.188 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1(Br)CC1 ZINC000926693304 759804242 /nfs/dbraw/zinc/80/42/42/759804242.db2.gz MCUJXUZKGYIKJJ-CQSZACIVSA-N 1 3 352.320 3.199 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000567983131 505590209 /nfs/dbraw/zinc/59/02/09/505590209.db2.gz QXBFAJIOJDZQPR-XLIONFOSSA-N 1 3 371.550 3.323 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(I)c1 ZINC000570857083 505597103 /nfs/dbraw/zinc/59/71/03/505597103.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc(I)c1 ZINC000570857083 505597105 /nfs/dbraw/zinc/59/71/05/505597105.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 1 3 358.267 3.063 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000573729556 505606289 /nfs/dbraw/zinc/60/62/89/505606289.db2.gz IILGLUDIRCGKKQ-AOMIVXANSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4F)CC3)CC2)CC1 ZINC000568200233 505641535 /nfs/dbraw/zinc/64/15/35/505641535.db2.gz SGNHGXNZZGLVBF-UHFFFAOYSA-N 1 3 373.516 3.127 20 0 FGADHO CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000573930903 505653937 /nfs/dbraw/zinc/65/39/37/505653937.db2.gz GCVMIEVNRRPEPU-NRFANRHFSA-N 1 3 369.553 3.409 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198316 505677869 /nfs/dbraw/zinc/67/78/69/505677869.db2.gz JLMITHAPMRTBJZ-DNVCBOLYSA-N 1 3 354.922 3.241 20 0 FGADHO O=C(CN1CCC[C@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768626 493776710 /nfs/dbraw/zinc/77/67/10/493776710.db2.gz UXIOPJMGQJDCCY-RTWAWAEBSA-N 1 3 355.526 3.163 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCCC[C@H]1C ZINC000068887154 493889340 /nfs/dbraw/zinc/88/93/40/493889340.db2.gz SGKVCCIUQJIBEK-MSOLQXFVSA-N 1 3 364.578 3.203 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000568412070 505688758 /nfs/dbraw/zinc/68/87/58/505688758.db2.gz KQZTUHLFSVNKNK-UHFFFAOYSA-N 1 3 367.537 3.303 20 0 FGADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000076677808 493949467 /nfs/dbraw/zinc/94/94/67/493949467.db2.gz MSSCBVDGHLAZKA-UHFFFAOYSA-N 1 3 357.542 3.340 20 0 FGADHO CCCN(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759833 493986708 /nfs/dbraw/zinc/98/67/08/493986708.db2.gz IZBKHHCEYGDOKK-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000084412208 494071429 /nfs/dbraw/zinc/07/14/29/494071429.db2.gz USUWVDZBELABJU-IBGZPJMESA-N 1 3 374.554 3.124 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000077449984 494085950 /nfs/dbraw/zinc/08/59/50/494085950.db2.gz XUUQIAZAJUDLQD-UHFFFAOYSA-N 1 3 374.912 3.465 20 0 FGADHO C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085361533 494116925 /nfs/dbraw/zinc/11/69/25/494116925.db2.gz GLUAQZJFASMCKE-ZWKOTPCHSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388408 494119463 /nfs/dbraw/zinc/11/94/63/494119463.db2.gz AASLIKBWPPXGOQ-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390486 494119606 /nfs/dbraw/zinc/11/96/06/494119606.db2.gz DBOAHMRDMABLDC-CGTJXYLNSA-N 1 3 366.575 3.113 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390486 494119610 /nfs/dbraw/zinc/11/96/10/494119610.db2.gz DBOAHMRDMABLDC-CGTJXYLNSA-N 1 3 366.575 3.113 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000085402630 494121671 /nfs/dbraw/zinc/12/16/71/494121671.db2.gz DATUZIIKXQTYMO-CAOKTKFFSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809944 494184076 /nfs/dbraw/zinc/18/40/76/494184076.db2.gz PEOTZEWYCMBDSM-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000072848377 494264693 /nfs/dbraw/zinc/26/46/93/494264693.db2.gz CIFYJSFQKZGUJM-UHFFFAOYSA-N 1 3 366.509 3.142 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043239466 494279228 /nfs/dbraw/zinc/27/92/28/494279228.db2.gz QEAXDUZDOYZYHZ-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000043885321 494328829 /nfs/dbraw/zinc/32/88/29/494328829.db2.gz CJKBXWTWEVMOTH-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428386 494370053 /nfs/dbraw/zinc/37/00/53/494370053.db2.gz NOUMBLVUZZGDNE-LJQANCHMSA-N 1 3 372.557 3.212 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000073494060 494378614 /nfs/dbraw/zinc/37/86/14/494378614.db2.gz KODAYGCKTPINCV-VTHDOGFWSA-N 1 3 372.557 3.166 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000073494060 494378617 /nfs/dbraw/zinc/37/86/17/494378617.db2.gz KODAYGCKTPINCV-VTHDOGFWSA-N 1 3 372.557 3.166 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000571372900 505717492 /nfs/dbraw/zinc/71/74/92/505717492.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 1 3 360.546 3.058 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000571372900 505717496 /nfs/dbraw/zinc/71/74/96/505717496.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079096907 494404085 /nfs/dbraw/zinc/40/40/85/494404085.db2.gz UZDPUEQGHSWDEX-NRFANRHFSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387994 505718485 /nfs/dbraw/zinc/71/84/85/505718485.db2.gz ZJMSRQUSKPZUSR-PZJWPPBQSA-N 1 3 369.484 3.067 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387994 505718487 /nfs/dbraw/zinc/71/84/87/505718487.db2.gz ZJMSRQUSKPZUSR-PZJWPPBQSA-N 1 3 369.484 3.067 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)C ZINC000079121774 494406655 /nfs/dbraw/zinc/40/66/55/494406655.db2.gz HGVWKNNIPXXWAI-UHFFFAOYSA-N 1 3 364.534 3.004 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000571386327 505721262 /nfs/dbraw/zinc/72/12/62/505721262.db2.gz HZZCPHWAZABAAW-RBDMOPTHSA-N 1 3 353.510 3.487 20 0 FGADHO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028216 494430475 /nfs/dbraw/zinc/43/04/75/494430475.db2.gz YYQBWUFHHBHOTC-SFHVURJKSA-N 1 3 369.509 3.216 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523949 494477790 /nfs/dbraw/zinc/47/77/90/494477790.db2.gz UABMWBCCMGLZKI-WTOYTKOKSA-N 1 3 368.525 3.291 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000079577745 494484739 /nfs/dbraw/zinc/48/47/39/494484739.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000079577745 494484743 /nfs/dbraw/zinc/48/47/43/494484743.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 1 3 374.573 3.270 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccsc2)s1 ZINC000568565988 505723640 /nfs/dbraw/zinc/72/36/40/505723640.db2.gz ZXONVUSMAMHZCS-UHFFFAOYSA-N 1 3 364.584 3.329 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067282513 494507304 /nfs/dbraw/zinc/50/73/04/494507304.db2.gz UWXPZGZPDURBET-FQEVSTJZSA-N 1 3 360.546 3.010 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067282513 494507308 /nfs/dbraw/zinc/50/73/08/494507308.db2.gz UWXPZGZPDURBET-FQEVSTJZSA-N 1 3 360.546 3.010 20 0 FGADHO Cc1cccc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000091060243 494521262 /nfs/dbraw/zinc/52/12/62/494521262.db2.gz DLUJCYRLRUJWDH-NRFANRHFSA-N 1 3 365.521 3.291 20 0 FGADHO Cc1cccc(C)c1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000091060243 494521266 /nfs/dbraw/zinc/52/12/66/494521266.db2.gz DLUJCYRLRUJWDH-NRFANRHFSA-N 1 3 365.521 3.291 20 0 FGADHO COc1ccccc1[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333548 494583481 /nfs/dbraw/zinc/58/34/81/494583481.db2.gz AMIBHMKXAGCKQX-GHTZIAJQSA-N 1 3 373.541 3.104 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080166452 494621861 /nfs/dbraw/zinc/62/18/61/494621861.db2.gz ONZNUTMCLJUZJK-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000067734617 494627655 /nfs/dbraw/zinc/62/76/55/494627655.db2.gz DENXUZULTMDHOE-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3ccn4C)CC2)CC1 ZINC000580326587 505733097 /nfs/dbraw/zinc/73/30/97/505733097.db2.gz JTHURHDUJNZKRO-UHFFFAOYSA-N 1 3 368.525 3.313 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092564288 494670524 /nfs/dbraw/zinc/67/05/24/494670524.db2.gz PVUVFXZGRKROEE-LPOKXYRGSA-N 1 3 368.562 3.366 20 0 FGADHO CC[C@H]1C[C@@H](C)CN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022651 494676198 /nfs/dbraw/zinc/67/61/98/494676198.db2.gz KLXIDJYUNXKABF-UTKZUKDTSA-N 1 3 357.542 3.196 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608524 505736020 /nfs/dbraw/zinc/73/60/20/505736020.db2.gz DLYUKVOIVNGIPG-RDJZCZTQSA-N 1 3 364.559 3.092 20 0 FGADHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000577480955 505736349 /nfs/dbraw/zinc/73/63/49/505736349.db2.gz ANQIMOVNOOAHBK-INIZCTEOSA-N 1 3 371.550 3.166 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715026 /nfs/dbraw/zinc/71/50/26/494715026.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 1 3 369.553 3.475 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715032 /nfs/dbraw/zinc/71/50/32/494715032.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 1 3 369.553 3.475 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCCN(C)C3)c2)CC1 ZINC000108573499 494741707 /nfs/dbraw/zinc/74/17/07/494741707.db2.gz RUYSKHHQBDZYHN-NRFANRHFSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@H]1CCCCN1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821546 494762909 /nfs/dbraw/zinc/76/29/09/494762909.db2.gz OVDDJOGWXNWGFL-SFHVURJKSA-N 1 3 358.530 3.021 20 0 FGADHO CCN(C(=O)CN1CCC(CC[NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000121619070 494822001 /nfs/dbraw/zinc/82/20/01/494822001.db2.gz RGTJNCZIEYNDQL-KRWDZBQOSA-N 1 3 363.521 3.399 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(F)F)CC3CCC3)CC2)CC1 ZINC000568647578 505745093 /nfs/dbraw/zinc/74/50/93/505745093.db2.gz SVBKGNPIQVRTRD-UHFFFAOYSA-N 1 3 371.516 3.077 20 0 FGADHO CC[C@H](C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116740577 494846085 /nfs/dbraw/zinc/84/60/85/494846085.db2.gz IQVOZKMLOOBULE-PGRDOPGGSA-N 1 3 371.569 3.491 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](NCCSCCOc2cccc(Br)c2)C1 ZINC000568664380 505747837 /nfs/dbraw/zinc/74/78/37/505747837.db2.gz RIWIDUYICAMYSJ-CABCVRRESA-N 1 3 373.360 3.421 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525798 494888360 /nfs/dbraw/zinc/88/83/60/494888360.db2.gz GDKDNAWUXJSUQF-KRWDZBQOSA-N 1 3 370.463 3.095 20 0 FGADHO CCOC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093419260 494890604 /nfs/dbraw/zinc/89/06/04/494890604.db2.gz UTZJAYZTACGFRE-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO CCOC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093419260 494890607 /nfs/dbraw/zinc/89/06/07/494890607.db2.gz UTZJAYZTACGFRE-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000093591948 494903045 /nfs/dbraw/zinc/90/30/45/494903045.db2.gz YZERLIZCPQEMMR-UHFFFAOYSA-N 1 3 359.558 3.203 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907389 /nfs/dbraw/zinc/90/73/89/494907389.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 1 3 360.498 3.173 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907390 /nfs/dbraw/zinc/90/73/90/494907390.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 1 3 360.498 3.173 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223486 494912903 /nfs/dbraw/zinc/91/29/03/494912903.db2.gz RUCYRSGFSGLSBM-IBGZPJMESA-N 1 3 355.526 3.229 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000132835844 494931019 /nfs/dbraw/zinc/93/10/19/494931019.db2.gz QLODERRCNPYSSB-UHFFFAOYSA-N 1 3 374.451 3.139 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000110073367 494945969 /nfs/dbraw/zinc/94/59/69/494945969.db2.gz FBBRWEFUVOASOU-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO CC(C)CCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127469221 494949290 /nfs/dbraw/zinc/94/92/90/494949290.db2.gz GGQDTGUTYBOSKO-KRWDZBQOSA-N 1 3 352.567 3.059 20 0 FGADHO CCCC[C@H](CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127474301 494950176 /nfs/dbraw/zinc/95/01/76/494950176.db2.gz ZNXOFDFLNGIAEV-KRWDZBQOSA-N 1 3 352.567 3.061 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409166 505753260 /nfs/dbraw/zinc/75/32/60/505753260.db2.gz BNRFVKCPLRSSQO-AZUAARDMSA-N 1 3 374.916 3.448 20 0 FGADHO CC(=O)c1ccc(NC(=O)CCN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123369077 495122197 /nfs/dbraw/zinc/12/21/97/495122197.db2.gz ZEMRYHPVWSWPEP-UHFFFAOYSA-N 1 3 359.514 3.272 20 0 FGADHO C[C@@H](CNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123547427 495149767 /nfs/dbraw/zinc/14/97/67/495149767.db2.gz YFLAHJTUXXJIDK-RBUKOAKNSA-N 1 3 359.558 3.349 20 0 FGADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)N1CCCCCC1 ZINC000129051623 495188561 /nfs/dbraw/zinc/18/85/61/495188561.db2.gz SWOZLGUVMJSFAS-UHFFFAOYSA-N 1 3 357.542 3.076 20 0 FGADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123944956 495210811 /nfs/dbraw/zinc/21/08/11/495210811.db2.gz QQQJYEAHLVRIQW-IBGZPJMESA-N 1 3 355.526 3.458 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000119718843 495226057 /nfs/dbraw/zinc/22/60/57/495226057.db2.gz RPMAIBMJRYADFO-YXJHDRRASA-N 1 3 364.559 3.055 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000119718843 495226061 /nfs/dbraw/zinc/22/60/61/495226061.db2.gz RPMAIBMJRYADFO-YXJHDRRASA-N 1 3 364.559 3.055 20 0 FGADHO Cc1cc(Cl)ccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000129771863 495293707 /nfs/dbraw/zinc/29/37/07/495293707.db2.gz OBBVBHRAYBMXRO-UHFFFAOYSA-N 1 3 359.901 3.230 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CC2 ZINC000124659923 495324359 /nfs/dbraw/zinc/32/43/59/495324359.db2.gz DGMRWYOMQPJVBI-NRFANRHFSA-N 1 3 357.542 3.222 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000124955661 495370211 /nfs/dbraw/zinc/37/02/11/495370211.db2.gz HBDQEYFGMBNTIK-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)Cc1cccc(NC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000136350387 495373981 /nfs/dbraw/zinc/37/39/81/495373981.db2.gz JEYZLVJJDSTNIJ-UHFFFAOYSA-N 1 3 370.497 3.116 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000120482858 495388730 /nfs/dbraw/zinc/38/87/30/495388730.db2.gz FZEHTPARLUZSQX-JKSUJKDBSA-N 1 3 358.530 3.259 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000574463577 505779097 /nfs/dbraw/zinc/77/90/97/505779097.db2.gz YSRBMODSZXBYRO-VQTJNVASSA-N 1 3 371.912 3.021 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393732 /nfs/dbraw/zinc/39/37/32/495393732.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 1 3 362.493 3.144 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393737 /nfs/dbraw/zinc/39/37/37/495393737.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 1 3 362.493 3.144 20 0 FGADHO CCCCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000120560357 495406206 /nfs/dbraw/zinc/40/62/06/495406206.db2.gz MLDIEMDTHZUTQH-UHFFFAOYSA-N 1 3 352.567 3.155 20 0 FGADHO CC(C)[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000114827186 495432257 /nfs/dbraw/zinc/43/22/57/495432257.db2.gz OUKGBWLNKNONOX-GOSISDBHSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513838 495460056 /nfs/dbraw/zinc/46/00/56/495460056.db2.gz ZUBJBAJQAGEWLB-CTNGQTDRSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513838 495460059 /nfs/dbraw/zinc/46/00/59/495460059.db2.gz ZUBJBAJQAGEWLB-CTNGQTDRSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530843 495464241 /nfs/dbraw/zinc/46/42/41/495464241.db2.gz RZUMEAINVLIESG-CTNGQTDRSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530843 495464243 /nfs/dbraw/zinc/46/42/43/495464243.db2.gz RZUMEAINVLIESG-CTNGQTDRSA-N 1 3 370.541 3.140 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292436 495518207 /nfs/dbraw/zinc/51/82/07/495518207.db2.gz CLUOVXUXRHWVSX-CABCVRRESA-N 1 3 358.523 3.390 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154266447 495561383 /nfs/dbraw/zinc/56/13/83/495561383.db2.gz QHWSHYALYNUSKE-QAPCUYQASA-N 1 3 355.482 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154266447 495561387 /nfs/dbraw/zinc/56/13/87/495561387.db2.gz QHWSHYALYNUSKE-QAPCUYQASA-N 1 3 355.482 3.051 20 0 FGADHO CN(C)CCN(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000176254801 495566205 /nfs/dbraw/zinc/56/62/05/495566205.db2.gz OXUVBVBRLRWNJY-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CN(C)CCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000176254801 495566209 /nfs/dbraw/zinc/56/62/09/495566209.db2.gz OXUVBVBRLRWNJY-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)CCn3cccn3)CC2)cc1 ZINC000158772350 495586435 /nfs/dbraw/zinc/58/64/35/495586435.db2.gz IISPBNNIDPHAOK-SFHVURJKSA-N 1 3 356.514 3.172 20 0 FGADHO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000571694786 505792126 /nfs/dbraw/zinc/79/21/26/505792126.db2.gz NUSBOKRYIWMVSE-NMNUPHIUSA-N 1 3 368.521 3.444 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606683 /nfs/dbraw/zinc/60/66/83/495606683.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 1 3 370.541 3.092 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606684 /nfs/dbraw/zinc/60/66/84/495606684.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618853 495617487 /nfs/dbraw/zinc/61/74/87/495617487.db2.gz SQZKPFNKEMHJMJ-LSDHHAIUSA-N 1 3 351.922 3.368 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448376 495620001 /nfs/dbraw/zinc/62/00/01/495620001.db2.gz KSUIBSBJEYRNDO-SFHVURJKSA-N 1 3 351.535 3.370 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000182588553 495627233 /nfs/dbraw/zinc/62/72/33/495627233.db2.gz PPRKSXJSNIDZRC-IEBWSBKVSA-N 1 3 364.578 3.155 20 0 FGADHO CCc1nc2c(s1)[C@H]([NH2+]CCCCN1CCN(CC)CC1)CCC2 ZINC000154494520 495635247 /nfs/dbraw/zinc/63/52/47/495635247.db2.gz CFXBJYSEYVPCFX-MRXNPFEDSA-N 1 3 350.576 3.090 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000173752403 495677111 /nfs/dbraw/zinc/67/71/11/495677111.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000173752403 495677117 /nfs/dbraw/zinc/67/71/17/495677117.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 1 3 360.546 3.151 20 0 FGADHO Cc1nc2ccccc2nc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949394 495758986 /nfs/dbraw/zinc/75/89/86/495758986.db2.gz PHBOQUHTYQSTDU-UHFFFAOYSA-N 1 3 354.498 3.015 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883593 495760665 /nfs/dbraw/zinc/76/06/65/495760665.db2.gz GBGCRBHVIVPVBJ-QGZVFWFLSA-N 1 3 364.497 3.353 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883593 495760669 /nfs/dbraw/zinc/76/06/69/495760669.db2.gz GBGCRBHVIVPVBJ-QGZVFWFLSA-N 1 3 364.497 3.353 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC(C)CC1 ZINC000171201633 495766530 /nfs/dbraw/zinc/76/65/30/495766530.db2.gz SQFKUYRYFDVGTA-GOSISDBHSA-N 1 3 364.578 3.061 20 0 FGADHO Cc1nc2ccccc2nc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171307209 495813021 /nfs/dbraw/zinc/81/30/21/495813021.db2.gz KXKOYMDQJLEVHV-CALCHBBNSA-N 1 3 368.525 3.259 20 0 FGADHO Cc1nc2ccccc2nc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171307209 495813027 /nfs/dbraw/zinc/81/30/27/495813027.db2.gz KXKOYMDQJLEVHV-CALCHBBNSA-N 1 3 368.525 3.259 20 0 FGADHO CCC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccnc1 ZINC000186060190 495840702 /nfs/dbraw/zinc/84/07/02/495840702.db2.gz KOZHQRYJSHXQMR-HXUWFJFHSA-N 1 3 354.498 3.004 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183152989 495857937 /nfs/dbraw/zinc/85/79/37/495857937.db2.gz WMLGQKNWNRYRHO-WWNPGLIZSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@@H](CCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180115513 495864716 /nfs/dbraw/zinc/86/47/16/495864716.db2.gz FLXHJWDCBKZRES-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622736 495952642 /nfs/dbraw/zinc/95/26/42/495952642.db2.gz YQJVSZSUZTXJKO-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000177181093 495963417 /nfs/dbraw/zinc/96/34/17/495963417.db2.gz SPFIRWAUIHVUHM-NQIIRXRSSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452540 496002027 /nfs/dbraw/zinc/00/20/27/496002027.db2.gz YKMQEXVHOBMONQ-JOCHJYFZSA-N 1 3 352.526 3.034 20 0 FGADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000155624248 496016188 /nfs/dbraw/zinc/01/61/88/496016188.db2.gz SIDROLQHOWLYAP-CVEARBPZSA-N 1 3 353.938 3.415 20 0 FGADHO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000177353428 496028723 /nfs/dbraw/zinc/02/87/23/496028723.db2.gz XYFNTJATWJXLPE-GOSISDBHSA-N 1 3 353.510 3.089 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556078 496029442 /nfs/dbraw/zinc/02/94/42/496029442.db2.gz LQLRPHSHXJMZTM-JOCHJYFZSA-N 1 3 370.516 3.173 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717314 496045491 /nfs/dbraw/zinc/04/54/91/496045491.db2.gz DQMHKDYLQIELJM-CABCVRRESA-N 1 3 369.937 3.034 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@@H](C)O1 ZINC000177505378 496090360 /nfs/dbraw/zinc/09/03/60/496090360.db2.gz VPRDJXJYONIVOR-RTBURBONSA-N 1 3 373.541 3.227 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974459 505822664 /nfs/dbraw/zinc/82/26/64/505822664.db2.gz ZCKZSJHKSTXREB-RXVVDRJESA-N 1 3 368.525 3.413 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827631 /nfs/dbraw/zinc/82/76/31/505827631.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827634 /nfs/dbraw/zinc/82/76/34/505827634.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 1 3 374.573 3.459 20 0 FGADHO [NH3+]CCC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000569008311 505829213 /nfs/dbraw/zinc/82/92/13/505829213.db2.gz NPDQEDZSXOFMOS-UHFFFAOYSA-N 1 3 361.493 3.495 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000161958754 496270563 /nfs/dbraw/zinc/27/05/63/496270563.db2.gz DFMOHMURHJYFRJ-IBGZPJMESA-N 1 3 374.573 3.270 20 0 FGADHO COc1ccc(OC)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178034123 496296321 /nfs/dbraw/zinc/29/63/21/496296321.db2.gz OXAHTTPRAWSVII-BBWFWOEESA-N 1 3 350.503 3.244 20 0 FGADHO Cc1cc(Br)ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000181202710 496309947 /nfs/dbraw/zinc/30/99/47/496309947.db2.gz BDWDBZKOZZCKLT-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO Cc1cc(Br)ccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000181202710 496309950 /nfs/dbraw/zinc/30/99/50/496309950.db2.gz BDWDBZKOZZCKLT-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178087995 496324253 /nfs/dbraw/zinc/32/42/53/496324253.db2.gz NWDORADZXZNPHO-FQEVSTJZSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178087995 496324259 /nfs/dbraw/zinc/32/42/59/496324259.db2.gz NWDORADZXZNPHO-FQEVSTJZSA-N 1 3 369.553 3.422 20 0 FGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000187347942 496403345 /nfs/dbraw/zinc/40/33/45/496403345.db2.gz OYESTTHPRYTTPR-QFIPXVFZSA-N 1 3 367.537 3.335 20 0 FGADHO C[C@H](CCN[C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCCC1 ZINC000184508895 496417126 /nfs/dbraw/zinc/41/71/26/496417126.db2.gz FLCIECBTSZTYKH-LSDHHAIUSA-N 1 3 352.910 3.306 20 0 FGADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)N1CCCCC1 ZINC000184508895 496417134 /nfs/dbraw/zinc/41/71/34/496417134.db2.gz FLCIECBTSZTYKH-LSDHHAIUSA-N 1 3 352.910 3.306 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000162858035 496424389 /nfs/dbraw/zinc/42/43/89/496424389.db2.gz BSYUOYSJBOMWBN-OTWHNJEPSA-N 1 3 373.541 3.353 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178460164 496465087 /nfs/dbraw/zinc/46/50/87/496465087.db2.gz VCXFZWAZMPVDSL-SFHVURJKSA-N 1 3 369.509 3.016 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477818 /nfs/dbraw/zinc/47/78/18/496477818.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477820 /nfs/dbraw/zinc/47/78/20/496477820.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO O[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000157638862 496520586 /nfs/dbraw/zinc/52/05/86/496520586.db2.gz JICNIMOLSNKZBL-NRFANRHFSA-N 1 3 360.448 3.295 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175787925 496545768 /nfs/dbraw/zinc/54/57/68/496545768.db2.gz KLUIKEBJNSNQCT-OAQYLSRUSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175787925 496545773 /nfs/dbraw/zinc/54/57/73/496545773.db2.gz KLUIKEBJNSNQCT-OAQYLSRUSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000163930336 496571709 /nfs/dbraw/zinc/57/17/09/496571709.db2.gz SDTNHCVYSHHKKI-GOSISDBHSA-N 1 3 358.555 3.392 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000185034006 496630292 /nfs/dbraw/zinc/63/02/92/496630292.db2.gz PHAFUTZSPNYINX-MOPGFXCFSA-N 1 3 366.571 3.401 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000185034006 496630299 /nfs/dbraw/zinc/63/02/99/496630299.db2.gz PHAFUTZSPNYINX-MOPGFXCFSA-N 1 3 366.571 3.401 20 0 FGADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164760256 496631300 /nfs/dbraw/zinc/63/13/00/496631300.db2.gz LLEBMYKVNJWHBN-QGZVFWFLSA-N 1 3 366.347 3.490 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904283 496638318 /nfs/dbraw/zinc/63/83/18/496638318.db2.gz LSMXVTHATLYIHQ-CRAIPNDOSA-N 1 3 351.560 3.273 20 0 FGADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265569 496653446 /nfs/dbraw/zinc/65/34/46/496653446.db2.gz OGHMMTISYAEWKM-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000165265569 496653450 /nfs/dbraw/zinc/65/34/50/496653450.db2.gz OGHMMTISYAEWKM-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C3CC3)cc2)C1 ZINC000185125314 496671641 /nfs/dbraw/zinc/67/16/41/496671641.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C3CC3)cc2)C1 ZINC000185125314 496671649 /nfs/dbraw/zinc/67/16/49/496671649.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166245852 496681011 /nfs/dbraw/zinc/68/10/11/496681011.db2.gz PVWLLUCLLXZFMY-IRXDYDNUSA-N 1 3 371.447 3.347 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166243858 496681363 /nfs/dbraw/zinc/68/13/63/496681363.db2.gz UJDLJEJPIWIPOK-OAHLLOKOSA-N 1 3 359.436 3.189 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000173415039 496682135 /nfs/dbraw/zinc/68/21/35/496682135.db2.gz YMWQKXTWOBPHPP-IAGOWNOFSA-N 1 3 364.559 3.011 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155833 496691747 /nfs/dbraw/zinc/69/17/47/496691747.db2.gz ZKWADCMPYIHWMF-RVHYNSKXSA-N 1 3 359.514 3.064 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185182534 496695792 /nfs/dbraw/zinc/69/57/92/496695792.db2.gz WHGKRFGNVGVBMQ-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243685 496718834 /nfs/dbraw/zinc/71/88/34/496718834.db2.gz KUAWGWXVICBEBR-UXHICEINSA-N 1 3 364.555 3.118 20 0 FGADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258902 496721995 /nfs/dbraw/zinc/72/19/95/496721995.db2.gz OIGOEJIPSGCMMQ-VXKWHMMOSA-N 1 3 366.505 3.429 20 0 FGADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258902 496721998 /nfs/dbraw/zinc/72/19/98/496721998.db2.gz OIGOEJIPSGCMMQ-VXKWHMMOSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260821 496722497 /nfs/dbraw/zinc/72/24/97/496722497.db2.gz PAFQSMGGCYFXGK-JXFKEZNVSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260821 496722499 /nfs/dbraw/zinc/72/24/99/496722499.db2.gz PAFQSMGGCYFXGK-JXFKEZNVSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182351880 496731026 /nfs/dbraw/zinc/73/10/26/496731026.db2.gz DSTWPSHZINTRRL-DSKINZAPSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182351880 496731027 /nfs/dbraw/zinc/73/10/27/496731027.db2.gz DSTWPSHZINTRRL-DSKINZAPSA-N 1 3 372.557 3.242 20 0 FGADHO CS[C@@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731159 /nfs/dbraw/zinc/73/11/59/496731159.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 1 3 372.644 3.438 20 0 FGADHO CS[C@@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731160 /nfs/dbraw/zinc/73/11/60/496731160.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 1 3 372.644 3.438 20 0 FGADHO CS[C@@H]1CCCC[N@@H+](CC2(CN3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731161 /nfs/dbraw/zinc/73/11/61/496731161.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 1 3 372.644 3.438 20 0 FGADHO CS[C@@H]1CCCC[N@H+](CC2(CN3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731162 /nfs/dbraw/zinc/73/11/62/496731162.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 1 3 372.644 3.438 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000273315972 496772725 /nfs/dbraw/zinc/77/27/25/496772725.db2.gz XXBIZJFBRRDLNJ-SFHVURJKSA-N 1 3 363.571 3.369 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268918153 496822884 /nfs/dbraw/zinc/82/28/84/496822884.db2.gz OKQWKLYNWHLASN-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247368160 496845493 /nfs/dbraw/zinc/84/54/93/496845493.db2.gz OZGCEEPQXLMEGO-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247368160 496845497 /nfs/dbraw/zinc/84/54/97/496845497.db2.gz OZGCEEPQXLMEGO-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000247402462 496851686 /nfs/dbraw/zinc/85/16/86/496851686.db2.gz XMJLPUOTAWLATB-QZTJIDSGSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000247402462 496851691 /nfs/dbraw/zinc/85/16/91/496851691.db2.gz XMJLPUOTAWLATB-QZTJIDSGSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393256 496993056 /nfs/dbraw/zinc/99/30/56/496993056.db2.gz DSTWPSHZINTRRL-HFSMHLIXSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393256 496993058 /nfs/dbraw/zinc/99/30/58/496993058.db2.gz DSTWPSHZINTRRL-HFSMHLIXSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000248395649 496993670 /nfs/dbraw/zinc/99/36/70/496993670.db2.gz GKNDEGKHVVRBOH-QRVBRYPASA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000248395649 496993678 /nfs/dbraw/zinc/99/36/78/496993678.db2.gz GKNDEGKHVVRBOH-QRVBRYPASA-N 1 3 364.578 3.059 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)COc1ccccc1 ZINC000248402621 496997230 /nfs/dbraw/zinc/99/72/30/496997230.db2.gz VSWJQGFSIJAXTN-SFHLNBCPSA-N 1 3 368.521 3.173 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248408714 496999214 /nfs/dbraw/zinc/99/92/14/496999214.db2.gz VTWQACFITYZNRJ-KFWWJZLASA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408714 496999220 /nfs/dbraw/zinc/99/92/20/496999220.db2.gz VTWQACFITYZNRJ-KFWWJZLASA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408714 496999225 /nfs/dbraw/zinc/99/92/25/496999225.db2.gz VTWQACFITYZNRJ-KFWWJZLASA-N 1 3 369.351 3.277 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248449976 497014871 /nfs/dbraw/zinc/01/48/71/497014871.db2.gz OWLNFDXVJPWQED-RDTXWAMCSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248449976 497014872 /nfs/dbraw/zinc/01/48/72/497014872.db2.gz OWLNFDXVJPWQED-RDTXWAMCSA-N 1 3 359.539 3.431 20 0 FGADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447717 497015105 /nfs/dbraw/zinc/01/51/05/497015105.db2.gz NOSQITMXGSLBEC-HNAYVOBHSA-N 1 3 358.457 3.252 20 0 FGADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447717 497015109 /nfs/dbraw/zinc/01/51/09/497015109.db2.gz NOSQITMXGSLBEC-HNAYVOBHSA-N 1 3 358.457 3.252 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H](C)C1 ZINC000248566669 497041883 /nfs/dbraw/zinc/04/18/83/497041883.db2.gz OZTGZOCRVXKYMN-RBUKOAKNSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H](C)C1 ZINC000248566669 497041889 /nfs/dbraw/zinc/04/18/89/497041889.db2.gz OZTGZOCRVXKYMN-RBUKOAKNSA-N 1 3 357.542 3.278 20 0 FGADHO COc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352602 497083972 /nfs/dbraw/zinc/08/39/72/497083972.db2.gz AWOKRJVOIIRMND-DLBZAZTESA-N 1 3 350.503 3.164 20 0 FGADHO COc1cc(C)c([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352602 497083977 /nfs/dbraw/zinc/08/39/77/497083977.db2.gz AWOKRJVOIIRMND-DLBZAZTESA-N 1 3 350.503 3.164 20 0 FGADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C2 ZINC000192441009 497115375 /nfs/dbraw/zinc/11/53/75/497115375.db2.gz IVECXFKZYVHSOC-LJQANCHMSA-N 1 3 354.494 3.283 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248838583 497115819 /nfs/dbraw/zinc/11/58/19/497115819.db2.gz ORFRPZRAZDJICU-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccccc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000248838583 497115823 /nfs/dbraw/zinc/11/58/23/497115823.db2.gz ORFRPZRAZDJICU-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccccc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000248838583 497115827 /nfs/dbraw/zinc/11/58/27/497115827.db2.gz ORFRPZRAZDJICU-LGWBKDFWSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434704 497128254 /nfs/dbraw/zinc/12/82/54/497128254.db2.gz JGPULVIRSKAVNX-GFCCVEGCSA-N 1 3 359.345 3.252 20 0 FGADHO CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756296 497141747 /nfs/dbraw/zinc/14/17/47/497141747.db2.gz RFLPHAZBGKUGLE-LEWJYISDSA-N 1 3 369.553 3.279 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000578206130 505887189 /nfs/dbraw/zinc/88/71/89/505887189.db2.gz IEBGXURRFDRYBE-HXUWFJFHSA-N 1 3 371.569 3.381 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000578206130 505887190 /nfs/dbraw/zinc/88/71/90/505887190.db2.gz IEBGXURRFDRYBE-HXUWFJFHSA-N 1 3 371.569 3.381 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192640372 497172108 /nfs/dbraw/zinc/17/21/08/497172108.db2.gz DUGIIIDCUXAZSV-FQEVSTJZSA-N 1 3 369.553 3.231 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192640372 497172111 /nfs/dbraw/zinc/17/21/11/497172111.db2.gz DUGIIIDCUXAZSV-FQEVSTJZSA-N 1 3 369.553 3.231 20 0 FGADHO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798982 497216595 /nfs/dbraw/zinc/21/65/95/497216595.db2.gz DEWKABQTOTYXCV-OAQYLSRUSA-N 1 3 358.574 3.003 20 0 FGADHO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798982 497216601 /nfs/dbraw/zinc/21/66/01/497216601.db2.gz DEWKABQTOTYXCV-OAQYLSRUSA-N 1 3 358.574 3.003 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237520082 497250368 /nfs/dbraw/zinc/25/03/68/497250368.db2.gz ZNKVJGPEDPEMLN-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237520082 497250369 /nfs/dbraw/zinc/25/03/69/497250369.db2.gz ZNKVJGPEDPEMLN-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237588686 497258838 /nfs/dbraw/zinc/25/88/38/497258838.db2.gz XRQNXYHFOUZVRI-WIYYLYMNSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237588686 497258843 /nfs/dbraw/zinc/25/88/43/497258843.db2.gz XRQNXYHFOUZVRI-WIYYLYMNSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237588216 497259353 /nfs/dbraw/zinc/25/93/53/497259353.db2.gz YXQOGGWEODRCTO-DUXKGJEZSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237588216 497259358 /nfs/dbraw/zinc/25/93/58/497259358.db2.gz YXQOGGWEODRCTO-DUXKGJEZSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237600183 497261356 /nfs/dbraw/zinc/26/13/56/497261356.db2.gz ZTVAHEAKURNAJS-WSTZPKSXSA-N 1 3 357.542 3.354 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277937 505895070 /nfs/dbraw/zinc/89/50/70/505895070.db2.gz NUAUMKPVSNJVFG-QHAWAJNXSA-N 1 3 364.505 3.118 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000251500255 497273659 /nfs/dbraw/zinc/27/36/59/497273659.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000251500255 497273663 /nfs/dbraw/zinc/27/36/63/497273663.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000189953982 497304719 /nfs/dbraw/zinc/30/47/19/497304719.db2.gz RMZOKLFFZADAAG-IAGOWNOFSA-N 1 3 369.553 3.037 20 0 FGADHO [NH3+][C@H](CCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000237903201 497311944 /nfs/dbraw/zinc/31/19/44/497311944.db2.gz AEZJWECESIUDIR-OAQYLSRUSA-N 1 3 351.494 3.201 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547380 497338818 /nfs/dbraw/zinc/33/88/18/497338818.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 1 3 357.542 3.228 20 0 FGADHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547380 497338821 /nfs/dbraw/zinc/33/88/21/497338821.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 1 3 357.542 3.228 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266442500 497342700 /nfs/dbraw/zinc/34/27/00/497342700.db2.gz PCKYXEQAFMDPMV-OAQYLSRUSA-N 1 3 368.525 3.193 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455724 497353858 /nfs/dbraw/zinc/35/38/58/497353858.db2.gz JEISOAWYHUSSBI-AEFFLSMTSA-N 1 3 350.503 3.018 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279398773 497428398 /nfs/dbraw/zinc/42/83/98/497428398.db2.gz JLFQXROIYZTACX-WMZOPIPTSA-N 1 3 361.555 3.213 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279398773 497428405 /nfs/dbraw/zinc/42/84/05/497428405.db2.gz JLFQXROIYZTACX-WMZOPIPTSA-N 1 3 361.555 3.213 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245539398 497446259 /nfs/dbraw/zinc/44/62/59/497446259.db2.gz HRIWMTPKZMTJPK-CUHOHZIGSA-N 1 3 351.535 3.379 20 0 FGADHO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000275973236 497473134 /nfs/dbraw/zinc/47/31/34/497473134.db2.gz NSTGYAGRPOBZGW-SFHVURJKSA-N 1 3 355.526 3.055 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245665330 497493878 /nfs/dbraw/zinc/49/38/78/497493878.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245665330 497493883 /nfs/dbraw/zinc/49/38/83/497493883.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 1 3 372.557 3.386 20 0 FGADHO NC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245742154 497524044 /nfs/dbraw/zinc/52/40/44/497524044.db2.gz RTEBYFURQRTKST-WKCHPHFGSA-N 1 3 364.493 3.462 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272137038 497544927 /nfs/dbraw/zinc/54/49/27/497544927.db2.gz ARHWQELWLHQUOI-UWJYYQICSA-N 1 3 351.494 3.046 20 0 FGADHO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000262640763 497590132 /nfs/dbraw/zinc/59/01/32/497590132.db2.gz KIRJICJEFOTELR-LJQANCHMSA-N 1 3 374.529 3.203 20 0 FGADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262812473 497627032 /nfs/dbraw/zinc/62/70/32/497627032.db2.gz QJOLBPQMWKEMMW-IBGZPJMESA-N 1 3 367.497 3.046 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@]12CCCO2 ZINC000272670678 497696790 /nfs/dbraw/zinc/69/67/90/497696790.db2.gz KKTQHGZBKLACHP-BHDDXSALSA-N 1 3 358.526 3.010 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246400961 497721683 /nfs/dbraw/zinc/72/16/83/497721683.db2.gz LRNDTDIBKYLQBI-XUVXKRRUSA-N 1 3 374.525 3.266 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000246413044 497725777 /nfs/dbraw/zinc/72/57/77/497725777.db2.gz MOFQJSMYYSWTFK-QHAWAJNXSA-N 1 3 360.567 3.375 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000578377566 505926033 /nfs/dbraw/zinc/92/60/33/505926033.db2.gz SJBCCEALIZQYQR-UHFFFAOYSA-N 1 3 371.516 3.219 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472679 497746503 /nfs/dbraw/zinc/74/65/03/497746503.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472679 497746508 /nfs/dbraw/zinc/74/65/08/497746508.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000263315543 497756036 /nfs/dbraw/zinc/75/60/36/497756036.db2.gz ZKKHEEDYQKEFFY-UNMCSNQZSA-N 1 3 370.541 3.065 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246520472 497760785 /nfs/dbraw/zinc/76/07/85/497760785.db2.gz XIUARTCRGLFKJX-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246520472 497760794 /nfs/dbraw/zinc/76/07/94/497760794.db2.gz XIUARTCRGLFKJX-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000246535250 497766368 /nfs/dbraw/zinc/76/63/68/497766368.db2.gz VPPQILBPVBFLST-QRFRQXIXSA-N 1 3 364.555 3.332 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280634143 497835659 /nfs/dbraw/zinc/83/56/59/497835659.db2.gz MNCAYODMCSNEBE-UHFFFAOYSA-N 1 3 368.525 3.174 20 0 FGADHO C[C@H]1C[C@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069473 497911216 /nfs/dbraw/zinc/91/12/16/497911216.db2.gz SBSDXRNUXBJOFE-ICSRJNTNSA-N 1 3 353.514 3.081 20 0 FGADHO COCCn1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364429079 497953272 /nfs/dbraw/zinc/95/32/72/497953272.db2.gz CUVZOHOVCVKKIO-UHFFFAOYSA-N 1 3 368.525 3.018 20 0 FGADHO COCCn1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364429079 497953282 /nfs/dbraw/zinc/95/32/82/497953282.db2.gz CUVZOHOVCVKKIO-UHFFFAOYSA-N 1 3 368.525 3.018 20 0 FGADHO Cc1ccncc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000280982358 497974856 /nfs/dbraw/zinc/97/48/56/497974856.db2.gz UMVOTUYVFCDMNV-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO Cc1ccncc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000280982358 497974862 /nfs/dbraw/zinc/97/48/62/497974862.db2.gz UMVOTUYVFCDMNV-UHFFFAOYSA-N 1 3 369.509 3.169 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000578521692 505959931 /nfs/dbraw/zinc/95/99/31/505959931.db2.gz INJOLLYVGCSSBC-OAQYLSRUSA-N 1 3 356.510 3.290 20 0 FGADHO c1cn(Cc2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000569566677 505966702 /nfs/dbraw/zinc/96/67/02/505966702.db2.gz OSBHZFVKJRGVPU-GMAHTHKFSA-N 1 3 374.488 3.277 20 0 FGADHO CC1CC[NH+](C[C@@H](O)CN[C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575360675 505967689 /nfs/dbraw/zinc/96/76/89/505967689.db2.gz YHCFTQRLLPGLRW-AZUAARDMSA-N 1 3 350.934 3.344 20 0 FGADHO Cc1nn(-c2ccccn2)c(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000285397339 498072948 /nfs/dbraw/zinc/07/29/48/498072948.db2.gz AUHVJDSHGSDBTN-UHFFFAOYSA-N 1 3 359.905 3.193 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4n[nH]cc4c(C)c3)CC2)CC1 ZINC000581378489 505975331 /nfs/dbraw/zinc/97/53/31/505975331.db2.gz LWDLPKOPHUFZAI-UHFFFAOYSA-N 1 3 369.513 3.006 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296577950 498104363 /nfs/dbraw/zinc/10/43/63/498104363.db2.gz WOHZGLREMKNIHN-QFIPXVFZSA-N 1 3 371.569 3.276 20 0 FGADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402592 505979804 /nfs/dbraw/zinc/97/98/04/505979804.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402592 505979805 /nfs/dbraw/zinc/97/98/05/505979805.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C([C@H]1CCCOC1)N1CCCC2(CCC[N@H+](C[C@H]3CCCOC3)C2)C1 ZINC000575611446 505983635 /nfs/dbraw/zinc/98/36/35/505983635.db2.gz DWTMWJGTHLFWTG-OSBQEZSISA-N 1 3 350.547 3.018 20 0 FGADHO C([C@H]1CCCOC1)N1CCCC2(CCC[N@@H+](C[C@H]3CCCOC3)C2)C1 ZINC000575611446 505983637 /nfs/dbraw/zinc/98/36/37/505983637.db2.gz DWTMWJGTHLFWTG-OSBQEZSISA-N 1 3 350.547 3.018 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511961 505986920 /nfs/dbraw/zinc/98/69/20/505986920.db2.gz IQYNNZKZTPUIHW-IRXDYDNUSA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511961 505986924 /nfs/dbraw/zinc/98/69/24/505986924.db2.gz IQYNNZKZTPUIHW-IRXDYDNUSA-N 1 3 364.534 3.225 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000285671459 498167000 /nfs/dbraw/zinc/16/70/00/498167000.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 1 3 371.294 3.179 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000285671459 498166993 /nfs/dbraw/zinc/16/69/93/498166993.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 1 3 371.294 3.179 20 0 FGADHO C[C@@H]1C[C@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883393 498235779 /nfs/dbraw/zinc/23/57/79/498235779.db2.gz OHQGNPFXXSLRPZ-XLIONFOSSA-N 1 3 354.498 3.196 20 0 FGADHO COC[C@]1(C)CCN(Cc2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250577 /nfs/dbraw/zinc/25/05/77/498250577.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CCN(Cc2ccccc2C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250580 /nfs/dbraw/zinc/25/05/80/498250580.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CC[N@@H+](Cc2ccccc2CN2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250583 /nfs/dbraw/zinc/25/05/83/498250583.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@]1(C)CC[N@H+](Cc2ccccc2CN2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250588 /nfs/dbraw/zinc/25/05/88/498250588.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO NC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730483 506007299 /nfs/dbraw/zinc/00/72/99/506007299.db2.gz FYYIOPXUNPBXNG-NHCUHLMSSA-N 1 3 366.509 3.109 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365063804 498278767 /nfs/dbraw/zinc/27/87/67/498278767.db2.gz BDTQTRCMCLDIAT-MDNUFGMLSA-N 1 3 372.553 3.328 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791383 498294165 /nfs/dbraw/zinc/29/41/65/498294165.db2.gz NFBNFYVZZZUUGH-IPMKNSEASA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791383 498294173 /nfs/dbraw/zinc/29/41/73/498294173.db2.gz NFBNFYVZZZUUGH-IPMKNSEASA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000289791383 498294176 /nfs/dbraw/zinc/29/41/76/498294176.db2.gz NFBNFYVZZZUUGH-IPMKNSEASA-N 1 3 356.539 3.279 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297067412 498311004 /nfs/dbraw/zinc/31/10/04/498311004.db2.gz MWSHYOCZEUCQKW-OAQYLSRUSA-N 1 3 370.541 3.140 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811162 506021546 /nfs/dbraw/zinc/02/15/46/506021546.db2.gz NUVDQCDXAHRXCR-KLDKWKSESA-N 1 3 365.521 3.337 20 0 FGADHO CCOc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1O ZINC000297691349 498537940 /nfs/dbraw/zinc/53/79/40/498537940.db2.gz PWOKZUAEYOGALZ-HXUWFJFHSA-N 1 3 370.493 3.037 20 0 FGADHO CCOc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1O ZINC000297691349 498537943 /nfs/dbraw/zinc/53/79/43/498537943.db2.gz PWOKZUAEYOGALZ-HXUWFJFHSA-N 1 3 370.493 3.037 20 0 FGADHO CC[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921154 506052065 /nfs/dbraw/zinc/05/20/65/506052065.db2.gz LMIBHEJEMUNLNW-GHTZIAJQSA-N 1 3 357.542 3.339 20 0 FGADHO C[C@]1(CNC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000581726501 506054895 /nfs/dbraw/zinc/05/48/95/506054895.db2.gz PNPJVKVTBJNLQT-SFHVURJKSA-N 1 3 366.347 3.003 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)c1ccccc1 ZINC000303005127 498638785 /nfs/dbraw/zinc/63/87/85/498638785.db2.gz VNFSEELTJVIQRO-IBGZPJMESA-N 1 3 360.546 3.053 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4c3cccc4C)CC2)CC1 ZINC000572853831 506068452 /nfs/dbraw/zinc/06/84/52/506068452.db2.gz PJUQLTPFCFYLFQ-JOCHJYFZSA-N 1 3 369.553 3.295 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469384 498702326 /nfs/dbraw/zinc/70/23/26/498702326.db2.gz GSODKTDMOAOPID-GOEBONIOSA-N 1 3 370.335 3.071 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000363220830 498709592 /nfs/dbraw/zinc/70/95/92/498709592.db2.gz IJCFZVIZTOHAHG-QPIRBTGLSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021549 498748248 /nfs/dbraw/zinc/74/82/48/498748248.db2.gz GWSKLPZZXGRRSH-PZJWPPBQSA-N 1 3 355.526 3.099 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000570077660 506085046 /nfs/dbraw/zinc/08/50/46/506085046.db2.gz HMRDLQXLDPASAW-YPAWHYETSA-N 1 3 371.569 3.165 20 0 FGADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597026 498759991 /nfs/dbraw/zinc/75/99/91/498759991.db2.gz XRGHWPRUDFDJLI-QFBILLFUSA-N 1 3 368.477 3.424 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298578586 498819040 /nfs/dbraw/zinc/81/90/40/498819040.db2.gz XPHZMNJECPCIDA-QUCCMNQESA-N 1 3 361.436 3.430 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000579102269 506094929 /nfs/dbraw/zinc/09/49/29/506094929.db2.gz YFWWZYNYOUJHJI-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000579102269 506094932 /nfs/dbraw/zinc/09/49/32/506094932.db2.gz YFWWZYNYOUJHJI-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000366345457 498884103 /nfs/dbraw/zinc/88/41/03/498884103.db2.gz IYONORBJDARNKM-BEFAXECRSA-N 1 3 357.523 3.165 20 0 FGADHO Fc1ccccc1CN1CCC(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000366417605 498916624 /nfs/dbraw/zinc/91/66/24/498916624.db2.gz LDHVEVXUQJAVMC-UHFFFAOYSA-N 1 3 366.431 3.289 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000287991308 498920052 /nfs/dbraw/zinc/92/00/52/498920052.db2.gz KXWQFHJYXXKSDH-XLIONFOSSA-N 1 3 360.546 3.194 20 0 FGADHO C(CN1CCCC2(CCC[N@H+](CC[C@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217071 506121920 /nfs/dbraw/zinc/12/19/20/506121920.db2.gz ZQYJXZQOERKYKK-OSBQEZSISA-N 1 3 350.547 3.303 20 0 FGADHO C(CN1CCCC2(CCC[N@@H+](CC[C@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217071 506121923 /nfs/dbraw/zinc/12/19/23/506121923.db2.gz ZQYJXZQOERKYKK-OSBQEZSISA-N 1 3 350.547 3.303 20 0 FGADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000288365022 499005322 /nfs/dbraw/zinc/00/53/22/499005322.db2.gz KXHDZZBNJCLAJM-JKSUJKDBSA-N 1 3 355.482 3.193 20 0 FGADHO CC(C)COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299461470 499066004 /nfs/dbraw/zinc/06/60/04/499066004.db2.gz DTQJLHOFKLZLEX-UHFFFAOYSA-N 1 3 373.541 3.010 20 0 FGADHO COCCC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000367022032 499135164 /nfs/dbraw/zinc/13/51/64/499135164.db2.gz GYTUIQOENKAHMR-CTNGQTDRSA-N 1 3 363.521 3.052 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000369872919 499142827 /nfs/dbraw/zinc/14/28/27/499142827.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000369872919 499142830 /nfs/dbraw/zinc/14/28/30/499142830.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892259 499146568 /nfs/dbraw/zinc/14/65/68/499146568.db2.gz LPEKFJOXIFFIIZ-GHTZIAJQSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892259 499146571 /nfs/dbraw/zinc/14/65/71/499146571.db2.gz LPEKFJOXIFFIIZ-GHTZIAJQSA-N 1 3 372.557 3.084 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178720 /nfs/dbraw/zinc/17/87/20/499178720.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 1 3 356.510 3.315 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178723 /nfs/dbraw/zinc/17/87/23/499178723.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 1 3 356.510 3.315 20 0 FGADHO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370160838 499190193 /nfs/dbraw/zinc/19/01/93/499190193.db2.gz IMSYQSPLMFAODD-QAPCUYQASA-N 1 3 358.511 3.064 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)C2CCN(Cc3cccnc3)CC2)c1 ZINC000370794149 499255197 /nfs/dbraw/zinc/25/51/97/499255197.db2.gz TZJTYPJBJUOUCC-UHFFFAOYSA-N 1 3 352.482 3.042 20 0 FGADHO CN(Cc1ccc(Br)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259570 499303549 /nfs/dbraw/zinc/30/35/49/499303549.db2.gz ULEJOACKPOBJIF-AWEZNQCLSA-N 1 3 372.376 3.111 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000368297319 499283076 /nfs/dbraw/zinc/28/30/76/499283076.db2.gz WJPRBGZNYOJMQK-XDNAFOTISA-N 1 3 351.535 3.238 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581707 499309985 /nfs/dbraw/zinc/30/99/85/499309985.db2.gz CFWXRDJXMOEWPJ-YJBOKZPZSA-N 1 3 372.431 3.359 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000368650926 499317329 /nfs/dbraw/zinc/31/73/29/499317329.db2.gz RHFVHLDIIQDWRA-RVEPMOMFSA-N 1 3 360.542 3.296 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000368827568 499336970 /nfs/dbraw/zinc/33/69/70/499336970.db2.gz XQVGROIPCFYYLK-UHFFFAOYSA-N 1 3 367.484 3.138 20 0 FGADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000371724969 499359177 /nfs/dbraw/zinc/35/91/77/499359177.db2.gz BUZDFPKQBUABHS-IBGZPJMESA-N 1 3 371.456 3.329 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000371777669 499364508 /nfs/dbraw/zinc/36/45/08/499364508.db2.gz KOGICYYPJHMXTH-UHFFFAOYSA-N 1 3 368.525 3.191 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385708 506145512 /nfs/dbraw/zinc/14/55/12/506145512.db2.gz DLOLNLHFJIOKKH-ZWKOTPCHSA-N 1 3 371.525 3.161 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000373033442 499448291 /nfs/dbraw/zinc/44/82/91/499448291.db2.gz WGDXBZYEKYCVGD-QGZVFWFLSA-N 1 3 371.550 3.452 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000373033442 499448292 /nfs/dbraw/zinc/44/82/92/499448292.db2.gz WGDXBZYEKYCVGD-QGZVFWFLSA-N 1 3 371.550 3.452 20 0 FGADHO CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000373516089 499474500 /nfs/dbraw/zinc/47/45/00/499474500.db2.gz NKTIDKITUSSZFK-MRXNPFEDSA-N 1 3 351.535 3.240 20 0 FGADHO CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397493827 499563894 /nfs/dbraw/zinc/56/38/94/499563894.db2.gz NVZCGWYYNFOVPR-UHFFFAOYSA-N 1 3 354.494 3.202 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000397554488 499564404 /nfs/dbraw/zinc/56/44/04/499564404.db2.gz KJRGLZKMDRJLIK-KRWDZBQOSA-N 1 3 368.477 3.093 20 0 FGADHO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000375906443 499567388 /nfs/dbraw/zinc/56/73/88/499567388.db2.gz PFMBLLSJTFTDGD-NRFANRHFSA-N 1 3 371.569 3.415 20 0 FGADHO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000375906443 499567390 /nfs/dbraw/zinc/56/73/90/499567390.db2.gz PFMBLLSJTFTDGD-NRFANRHFSA-N 1 3 371.569 3.415 20 0 FGADHO CN1c2ccc(CN3CCC4(C[C@H]4C[N@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325931 499600708 /nfs/dbraw/zinc/60/07/08/499600708.db2.gz UEGJYPFTPJPVOW-IBGZPJMESA-N 1 3 367.537 3.292 20 0 FGADHO CN1c2ccc(CN3CCC4(C[C@H]4C[N@@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325931 499600710 /nfs/dbraw/zinc/60/07/10/499600710.db2.gz UEGJYPFTPJPVOW-IBGZPJMESA-N 1 3 367.537 3.292 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000377336617 499681016 /nfs/dbraw/zinc/68/10/16/499681016.db2.gz KUDZPQOCWJCHKN-QGZVFWFLSA-N 1 3 356.466 3.021 20 0 FGADHO CN1CCC(N(Cc2ccccc2F)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000377534705 499701466 /nfs/dbraw/zinc/70/14/66/499701466.db2.gz WSXNFNIVORQFIC-UHFFFAOYSA-N 1 3 373.516 3.123 20 0 FGADHO COc1ccc2oc(CN(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2c1 ZINC000377623518 499711777 /nfs/dbraw/zinc/71/17/77/499711777.db2.gz FHQGZDHZDIKEFU-GOSISDBHSA-N 1 3 357.498 3.042 20 0 FGADHO COc1ccc2oc(CN(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2c1 ZINC000377623518 499711779 /nfs/dbraw/zinc/71/17/79/499711779.db2.gz FHQGZDHZDIKEFU-GOSISDBHSA-N 1 3 357.498 3.042 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626230 499712250 /nfs/dbraw/zinc/71/22/50/499712250.db2.gz MEAAAGDZOBJFSL-KNQAVFIVSA-N 1 3 357.542 3.173 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626230 499712252 /nfs/dbraw/zinc/71/22/52/499712252.db2.gz MEAAAGDZOBJFSL-KNQAVFIVSA-N 1 3 357.542 3.173 20 0 FGADHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377688175 499720091 /nfs/dbraw/zinc/72/00/91/499720091.db2.gz AAQYKUTWMWUXEI-MISYRCLQSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377688175 499720092 /nfs/dbraw/zinc/72/00/92/499720092.db2.gz AAQYKUTWMWUXEI-MISYRCLQSA-N 1 3 370.493 3.204 20 0 FGADHO Cc1cc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)ccc1-n1cncn1 ZINC000377705055 499723169 /nfs/dbraw/zinc/72/31/69/499723169.db2.gz RBBJDYWUXGMPHX-UHFFFAOYSA-N 1 3 362.481 3.072 20 0 FGADHO Cc1cc(C[N@H+](C)C2CCN(c3ccncc3)CC2)ccc1-n1cncn1 ZINC000377705055 499723170 /nfs/dbraw/zinc/72/31/70/499723170.db2.gz RBBJDYWUXGMPHX-UHFFFAOYSA-N 1 3 362.481 3.072 20 0 FGADHO COCCC1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCCC1 ZINC000377715009 499724100 /nfs/dbraw/zinc/72/41/00/499724100.db2.gz JCZXDGDUEBXOQA-WCRBZPEASA-N 1 3 363.590 3.216 20 0 FGADHO COCCC1(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCCC1 ZINC000377715009 499724102 /nfs/dbraw/zinc/72/41/02/499724102.db2.gz JCZXDGDUEBXOQA-WCRBZPEASA-N 1 3 363.590 3.216 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1C(C)(C)C ZINC000414181721 499766282 /nfs/dbraw/zinc/76/62/82/499766282.db2.gz CHKYDXHZNUAHHV-LJQANCHMSA-N 1 3 373.585 3.431 20 0 FGADHO CCCc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414206687 499768363 /nfs/dbraw/zinc/76/83/63/499768363.db2.gz YUFCZVGSAKMTDY-LJQANCHMSA-N 1 3 359.558 3.086 20 0 FGADHO Cc1ccc2cc([C@@H](C)[NH2+]CC3(N4CCOCC4)CCN(C)CC3)oc2c1 ZINC000414204283 499768371 /nfs/dbraw/zinc/76/83/71/499768371.db2.gz WCUVZGGCXGFVBE-GOSISDBHSA-N 1 3 371.525 3.188 20 0 FGADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@@H](C)C1 ZINC000414323337 499777783 /nfs/dbraw/zinc/77/77/83/499777783.db2.gz IJZXTIIGPQSTNN-LFUKPOHLSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777419 499829846 /nfs/dbraw/zinc/82/98/46/499829846.db2.gz FHQAGIAUMWAUOM-INIZCTEOSA-N 1 3 354.441 3.092 20 0 FGADHO CCCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414788060 499831365 /nfs/dbraw/zinc/83/13/65/499831365.db2.gz MWLBZZZTQGQEEA-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412188285 499832049 /nfs/dbraw/zinc/83/20/49/499832049.db2.gz VZJKHUWCOBFEAZ-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412188285 499832050 /nfs/dbraw/zinc/83/20/50/499832050.db2.gz VZJKHUWCOBFEAZ-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414798439 499832717 /nfs/dbraw/zinc/83/27/17/499832717.db2.gz JBSYKVSIQNSVIA-WWGRRREGSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414798439 499832718 /nfs/dbraw/zinc/83/27/18/499832718.db2.gz JBSYKVSIQNSVIA-WWGRRREGSA-N 1 3 373.419 3.409 20 0 FGADHO Clc1ccc(-n2cc(CNCC[C@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414829434 499834893 /nfs/dbraw/zinc/83/48/93/499834893.db2.gz AUPFEDZTPQJQNM-GFCCVEGCSA-N 1 3 354.285 3.053 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851905 499837917 /nfs/dbraw/zinc/83/79/17/499837917.db2.gz JNMRBQKSXCWJRN-HZSPNIEDSA-N 1 3 368.319 3.144 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC1CCN(Cc2ccccc2Br)CC1 ZINC000414852490 499837956 /nfs/dbraw/zinc/83/79/56/499837956.db2.gz REIZCSALLKWKCB-QGZVFWFLSA-N 1 3 368.363 3.377 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920468 499844503 /nfs/dbraw/zinc/84/45/03/499844503.db2.gz ZLVKSOANFHAATL-BEFAXECRSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920468 499844506 /nfs/dbraw/zinc/84/45/06/499844506.db2.gz ZLVKSOANFHAATL-BEFAXECRSA-N 1 3 351.922 3.056 20 0 FGADHO NC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCCC1 ZINC000415065727 499860248 /nfs/dbraw/zinc/86/02/48/499860248.db2.gz NHUYOMXRLYQJBL-QGZVFWFLSA-N 1 3 363.303 3.242 20 0 FGADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103607 499864131 /nfs/dbraw/zinc/86/41/31/499864131.db2.gz KPKHXLGIEAAXRD-JRGCBEDISA-N 1 3 363.496 3.440 20 0 FGADHO C[C@]1(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111275 499865121 /nfs/dbraw/zinc/86/51/21/499865121.db2.gz UGHSPCPNBMBTOG-JRGCBEDISA-N 1 3 352.482 3.090 20 0 FGADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127265 499867302 /nfs/dbraw/zinc/86/73/02/499867302.db2.gz QRMNQQBAZKSXFT-QUCCMNQESA-N 1 3 362.514 3.202 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415883496 499924016 /nfs/dbraw/zinc/92/40/16/499924016.db2.gz NRPDCDKMDVQFLH-FXAWDEMLSA-N 1 3 358.530 3.354 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000415900931 499926232 /nfs/dbraw/zinc/92/62/32/499926232.db2.gz AUABUFNFVFMLHI-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C ZINC000415945235 499931852 /nfs/dbraw/zinc/93/18/52/499931852.db2.gz KPTFYLUGISJMOH-UZLBHIALSA-N 1 3 370.497 3.145 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415952459 499932780 /nfs/dbraw/zinc/93/27/80/499932780.db2.gz HIKBCURJYNEEPP-UHFFFAOYSA-N 1 3 372.435 3.406 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956433 499933224 /nfs/dbraw/zinc/93/32/24/499933224.db2.gz OCBFAAWKZDPLFH-UHFFFAOYSA-N 1 3 362.493 3.201 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415960969 499933936 /nfs/dbraw/zinc/93/39/36/499933936.db2.gz QYFFHXQAVRFANX-QGZVFWFLSA-N 1 3 352.482 3.131 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415966502 499934983 /nfs/dbraw/zinc/93/49/83/499934983.db2.gz GPXDNIXYWLRHSZ-UHFFFAOYSA-N 1 3 360.424 3.406 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970628 499935360 /nfs/dbraw/zinc/93/53/60/499935360.db2.gz FKLOZTHZWYBXCW-KRWDZBQOSA-N 1 3 352.482 3.274 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000415986078 499937759 /nfs/dbraw/zinc/93/77/59/499937759.db2.gz UOAOBWQYHWJOQO-UHFFFAOYSA-N 1 3 367.497 3.181 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429026175 499987115 /nfs/dbraw/zinc/98/71/15/499987115.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 1 3 360.542 3.060 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429026175 499987118 /nfs/dbraw/zinc/98/71/18/499987118.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 1 3 360.542 3.060 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000416252478 499995577 /nfs/dbraw/zinc/99/55/77/499995577.db2.gz OYKOLCPQTPEGGL-LJQANCHMSA-N 1 3 373.472 3.398 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000417208609 500006038 /nfs/dbraw/zinc/00/60/38/500006038.db2.gz BESBSOVHTODFLI-PZJWPPBQSA-N 1 3 372.557 3.149 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417214494 500007178 /nfs/dbraw/zinc/00/71/78/500007178.db2.gz KZGXDNBXGBKASQ-OAQYLSRUSA-N 1 3 370.541 3.069 20 0 FGADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000417295222 500031853 /nfs/dbraw/zinc/03/18/53/500031853.db2.gz JMKHHQQLRKGXMM-HOTGVXAUSA-N 1 3 374.451 3.125 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000417315274 500037364 /nfs/dbraw/zinc/03/73/64/500037364.db2.gz SAFYZMDGQYRASZ-LEWJYISDSA-N 1 3 368.525 3.377 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505669 506174080 /nfs/dbraw/zinc/17/40/80/506174080.db2.gz LTDGBGSBTGAPED-NRFANRHFSA-N 1 3 369.557 3.059 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429439707 500079174 /nfs/dbraw/zinc/07/91/74/500079174.db2.gz AZMZKCLXGGGQND-INIZCTEOSA-N 1 3 369.347 3.063 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100413 /nfs/dbraw/zinc/10/04/13/500100413.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 1 3 356.510 3.282 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100417 /nfs/dbraw/zinc/10/04/17/500100417.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 1 3 356.510 3.282 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416829235 500131508 /nfs/dbraw/zinc/13/15/08/500131508.db2.gz FOXKLIMUICKSGX-IRXDYDNUSA-N 1 3 366.575 3.338 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCN(C)Cc2ccccc2)cc1 ZINC000416870814 500144150 /nfs/dbraw/zinc/14/41/50/500144150.db2.gz IWNFFAYZHNKWTR-KRWDZBQOSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417677193 500147004 /nfs/dbraw/zinc/14/70/04/500147004.db2.gz FPDQPRSPUJBXMJ-ZWOKBUDYSA-N 1 3 358.530 3.123 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000416893127 500149268 /nfs/dbraw/zinc/14/92/68/500149268.db2.gz RFKBFAZWENWVFD-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000416906799 500152481 /nfs/dbraw/zinc/15/24/81/500152481.db2.gz SQKUHXDMQRQJIA-FQEVSTJZSA-N 1 3 360.546 3.187 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842371 500162579 /nfs/dbraw/zinc/16/25/79/500162579.db2.gz KVBNPGIQIBOOAE-QHAWAJNXSA-N 1 3 362.489 3.253 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417753175 500164130 /nfs/dbraw/zinc/16/41/30/500164130.db2.gz SJZSBAKEJRIEFZ-NRFANRHFSA-N 1 3 368.525 3.261 20 0 FGADHO C[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000422004316 500195739 /nfs/dbraw/zinc/19/57/39/500195739.db2.gz GBAHSIZEVBZWGF-XTWGIRIWSA-N 1 3 371.569 3.319 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000579471218 506182727 /nfs/dbraw/zinc/18/27/27/506182727.db2.gz NEAQUHRBCAESLA-QGZVFWFLSA-N 1 3 366.509 3.170 20 0 FGADHO C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418160219 500239538 /nfs/dbraw/zinc/23/95/38/500239538.db2.gz BDKIRJMKHSHQGR-GHTZIAJQSA-N 1 3 368.525 3.238 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418161117 500239717 /nfs/dbraw/zinc/23/97/17/500239717.db2.gz SNEFANTYKOIWJC-OALUTQOASA-N 1 3 360.546 3.104 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000418191373 500246330 /nfs/dbraw/zinc/24/63/30/500246330.db2.gz KPLMVJQKGVKEGA-FIKGOQFSSA-N 1 3 366.509 3.169 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418198230 500247910 /nfs/dbraw/zinc/24/79/10/500247910.db2.gz UYODJDVQMYCNHB-WMQCIHAUSA-N 1 3 374.573 3.114 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418199546 500248442 /nfs/dbraw/zinc/24/84/42/500248442.db2.gz XBLWUISNRNIRDN-PZJWPPBQSA-N 1 3 374.573 3.258 20 0 FGADHO CCCN(C(=O)NCC1(N(C)Cc2ccccc2)CCC1)C1CC[NH2+]CC1 ZINC000418241891 500254743 /nfs/dbraw/zinc/25/47/43/500254743.db2.gz KWSZXHNISRLXQD-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418350123 500266481 /nfs/dbraw/zinc/26/64/81/500266481.db2.gz QPVDRDFTONZCDT-ZJOUEHCJSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418355123 500267501 /nfs/dbraw/zinc/26/75/01/500267501.db2.gz PBHNSCNIJARNMK-HXUWFJFHSA-N 1 3 360.546 3.326 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418359537 500268156 /nfs/dbraw/zinc/26/81/56/500268156.db2.gz JILFYFWKPARIIH-FQEVSTJZSA-N 1 3 360.546 3.187 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418483099 500281853 /nfs/dbraw/zinc/28/18/53/500281853.db2.gz FLULSWAGKGKPNI-HRAATJIYSA-N 1 3 368.525 3.211 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640953 500285051 /nfs/dbraw/zinc/28/50/51/500285051.db2.gz WPTCEWPSBLNAHS-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1CN ZINC000422640953 500285053 /nfs/dbraw/zinc/28/50/53/500285053.db2.gz WPTCEWPSBLNAHS-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1CN ZINC000422640953 500285056 /nfs/dbraw/zinc/28/50/56/500285056.db2.gz WPTCEWPSBLNAHS-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418500950 500285152 /nfs/dbraw/zinc/28/51/52/500285152.db2.gz PZDRVWMYXWFSQJ-LJQANCHMSA-N 1 3 356.514 3.259 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@H](Cc3ccccc3)[C@H](C)N)CC2)oc1C ZINC000422712359 500288633 /nfs/dbraw/zinc/28/86/33/500288633.db2.gz OBFVKXPGPZBMNV-HRAATJIYSA-N 1 3 370.541 3.052 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724752 500290309 /nfs/dbraw/zinc/29/03/09/500290309.db2.gz WNTHACZFMLCWBA-VGSWGCGISA-N 1 3 355.501 3.338 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724752 500290312 /nfs/dbraw/zinc/29/03/12/500290312.db2.gz WNTHACZFMLCWBA-VGSWGCGISA-N 1 3 355.501 3.338 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750867 500293769 /nfs/dbraw/zinc/29/37/69/500293769.db2.gz DSHGRRBJKLBWIY-OLZOCXBDSA-N 1 3 356.869 3.451 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778763 500296653 /nfs/dbraw/zinc/29/66/53/500296653.db2.gz AXPMQSNJOGPAFA-JJXUHFIVSA-N 1 3 356.441 3.439 20 0 FGADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422784352 500297414 /nfs/dbraw/zinc/29/74/14/500297414.db2.gz LWGHBJYMSVPRKP-GUDVDZBRSA-N 1 3 357.523 3.099 20 0 FGADHO COC[C@H](Cc1ccccc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819687 500301804 /nfs/dbraw/zinc/30/18/04/500301804.db2.gz IUKADVDACLUIGH-RCZSKKKRSA-N 1 3 352.478 3.090 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422824160 500302957 /nfs/dbraw/zinc/30/29/57/500302957.db2.gz NEPZDYAUDYHBCJ-ARFHVFGLSA-N 1 3 365.905 3.188 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418669148 500304571 /nfs/dbraw/zinc/30/45/71/500304571.db2.gz HYUWILFBGYZNBB-DENIHFKCSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422856860 500306719 /nfs/dbraw/zinc/30/67/19/500306719.db2.gz GSVABUCIDXZLFA-MTNREXPMSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884607 500310379 /nfs/dbraw/zinc/31/03/79/500310379.db2.gz SEAKFMFAPBMILL-MAZHCROVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1ccc(Br)cc1 ZINC000422884607 500310381 /nfs/dbraw/zinc/31/03/81/500310381.db2.gz SEAKFMFAPBMILL-MAZHCROVSA-N 1 3 355.320 3.069 20 0 FGADHO COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422893394 500312190 /nfs/dbraw/zinc/31/21/90/500312190.db2.gz QIAXZTGQJWUZQG-LSDHHAIUSA-N 1 3 373.497 3.294 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901124 500313918 /nfs/dbraw/zinc/31/39/18/500313918.db2.gz BQRFPIKUVIHDBO-RZFNWQHOSA-N 1 3 365.521 3.352 20 0 FGADHO COc1ccc(C2(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905900 500314542 /nfs/dbraw/zinc/31/45/42/500314542.db2.gz ZSRTVTKXFKYVTQ-LEWJYISDSA-N 1 3 352.478 3.478 20 0 FGADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422909149 500315122 /nfs/dbraw/zinc/31/51/22/500315122.db2.gz NLWWBBZDVITTBW-LXDRIQHSSA-N 1 3 363.496 3.440 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920523 500316668 /nfs/dbraw/zinc/31/66/68/500316668.db2.gz MWCKRSTYWMPKRA-DSJMHWKBSA-N 1 3 360.420 3.205 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000422933135 500319133 /nfs/dbraw/zinc/31/91/33/500319133.db2.gz HDGFKWPELDLZBY-ROUUACIJSA-N 1 3 369.509 3.270 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc2)cc1 ZINC000422933135 500319135 /nfs/dbraw/zinc/31/91/35/500319135.db2.gz HDGFKWPELDLZBY-ROUUACIJSA-N 1 3 369.509 3.270 20 0 FGADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000422935837 500319611 /nfs/dbraw/zinc/31/96/11/500319611.db2.gz DYJZASKGLLKPQD-PNESKVBLSA-N 1 3 369.303 3.388 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768415 500320554 /nfs/dbraw/zinc/32/05/54/500320554.db2.gz MBHMTWDGFKYZRI-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc(Br)c1OC ZINC000422947706 500321988 /nfs/dbraw/zinc/32/19/88/500321988.db2.gz QZKMJOXUIDOUIM-UONOGXRCSA-N 1 3 357.292 3.216 20 0 FGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCc1nc2c(s1)CCCC2 ZINC000422955342 500323135 /nfs/dbraw/zinc/32/31/35/500323135.db2.gz LWMZUSSEFDODBT-UWJYYQICSA-N 1 3 369.534 3.410 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422955033 500323321 /nfs/dbraw/zinc/32/33/21/500323321.db2.gz KMICPTKOVPTRLQ-DZGCQCFKSA-N 1 3 368.319 3.206 20 0 FGADHO COCCNc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422963306 500324577 /nfs/dbraw/zinc/32/45/77/500324577.db2.gz FMRZAPOZNZMOEE-IRLDBZIGSA-N 1 3 367.493 3.090 20 0 FGADHO Cn1cc(-c2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000422961457 500324771 /nfs/dbraw/zinc/32/47/71/500324771.db2.gz CBCYDHGIRKYCEX-JTHBVZDNSA-N 1 3 374.488 3.433 20 0 FGADHO [NH3+][C@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)c2ccccc21 ZINC000422977586 500326220 /nfs/dbraw/zinc/32/62/20/500326220.db2.gz FXKNAJNKKRRKOM-FCHUYYIVSA-N 1 3 351.494 3.448 20 0 FGADHO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431039536 500327012 /nfs/dbraw/zinc/32/70/12/500327012.db2.gz XJTISIZROMVODV-UHFFFAOYSA-N 1 3 361.505 3.028 20 0 FGADHO COc1cccc(COCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999985 500328988 /nfs/dbraw/zinc/32/89/88/500328988.db2.gz GKLMCESXCCDTMK-IFMALSPDSA-N 1 3 368.477 3.057 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046057 500334893 /nfs/dbraw/zinc/33/48/93/500334893.db2.gz CZIZSIDFJOWYKL-JKSUJKDBSA-N 1 3 359.283 3.383 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000423046876 500335196 /nfs/dbraw/zinc/33/51/96/500335196.db2.gz FHKDUAYEYZQJSV-BRWVUGGUSA-N 1 3 371.447 3.466 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000423071247 500338423 /nfs/dbraw/zinc/33/84/23/500338423.db2.gz HOQYUOLCSNTJOS-XEGUGMAKSA-N 1 3 356.297 3.359 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCN1 ZINC000423088229 500340716 /nfs/dbraw/zinc/34/07/16/500340716.db2.gz PNJLRGIHNRJWFG-UKPHBRMFSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCN1 ZINC000423088231 500340732 /nfs/dbraw/zinc/34/07/32/500340732.db2.gz PNJLRGIHNRJWFG-YSVLISHTSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCN1 ZINC000423088228 500340738 /nfs/dbraw/zinc/34/07/38/500340738.db2.gz PNJLRGIHNRJWFG-QRTARXTBSA-N 1 3 352.320 3.148 20 0 FGADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423117483 500344555 /nfs/dbraw/zinc/34/45/55/500344555.db2.gz VRMNIASIVOFPOS-LNRXMEIDSA-N 1 3 369.553 3.121 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127101 500345725 /nfs/dbraw/zinc/34/57/25/500345725.db2.gz SXXHSZYIYQWDHV-AAEUAGOBSA-N 1 3 356.919 3.300 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127279 500345749 /nfs/dbraw/zinc/34/57/49/500345749.db2.gz BTNADDHZKPRKSW-OAGGEKHMSA-N 1 3 352.906 3.410 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056368 500348898 /nfs/dbraw/zinc/34/88/98/500348898.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056368 500348900 /nfs/dbraw/zinc/34/89/00/500348900.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 1 3 367.537 3.126 20 0 FGADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@H](C)CCCC[NH3+])CC1 ZINC000423158035 500350047 /nfs/dbraw/zinc/35/00/47/500350047.db2.gz NPWVAWMRWYAGDG-QGZVFWFLSA-N 1 3 360.498 3.032 20 0 FGADHO Fc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423192569 500354044 /nfs/dbraw/zinc/35/40/44/500354044.db2.gz WAAFLJNZMZGPPC-HXUWFJFHSA-N 1 3 361.892 3.453 20 0 FGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423272596 500360356 /nfs/dbraw/zinc/36/03/56/500360356.db2.gz JWJQFWQFEALQIW-WFASDCNBSA-N 1 3 360.283 3.185 20 0 FGADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292340 500361756 /nfs/dbraw/zinc/36/17/56/500361756.db2.gz MPLSISIUIJNRHM-WZONZLPQSA-N 1 3 367.537 3.432 20 0 FGADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000423324572 500364836 /nfs/dbraw/zinc/36/48/36/500364836.db2.gz HYULZHAYLWGTOJ-SWUCNREESA-N 1 3 365.521 3.224 20 0 FGADHO FC(F)(F)[C@H](CN[C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000423404281 500371153 /nfs/dbraw/zinc/37/11/53/500371153.db2.gz ZSGXYWUFXUOOIP-JKSUJKDBSA-N 1 3 361.839 3.217 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269742 500375670 /nfs/dbraw/zinc/37/56/70/500375670.db2.gz NCODNCLRPKYQSD-YOEHRIQHSA-N 1 3 371.447 3.204 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280835 500377313 /nfs/dbraw/zinc/37/73/13/500377313.db2.gz MDTMRODQUVUFOT-GHTZIAJQSA-N 1 3 371.569 3.355 20 0 FGADHO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000427324016 500381578 /nfs/dbraw/zinc/38/15/78/500381578.db2.gz JWSCMUZSONLGBZ-SFHVURJKSA-N 1 3 359.514 3.188 20 0 FGADHO CC(C)n1cc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000423564181 500384807 /nfs/dbraw/zinc/38/48/07/500384807.db2.gz LFMNGBHZACNNAR-GOSISDBHSA-N 1 3 355.530 3.108 20 0 FGADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000423576281 500386309 /nfs/dbraw/zinc/38/63/09/500386309.db2.gz QWMJWUYDSRVCOA-LJQANCHMSA-N 1 3 366.553 3.397 20 0 FGADHO C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000423792640 500402070 /nfs/dbraw/zinc/40/20/70/500402070.db2.gz ICHNAGKKWQPYNV-GHTZIAJQSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431652417 500403814 /nfs/dbraw/zinc/40/38/14/500403814.db2.gz CEKFGNQLPGPEER-TZIWHRDSSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431652417 500403817 /nfs/dbraw/zinc/40/38/17/500403817.db2.gz CEKFGNQLPGPEER-TZIWHRDSSA-N 1 3 373.541 3.213 20 0 FGADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431656134 500404234 /nfs/dbraw/zinc/40/42/34/500404234.db2.gz VFRJZASMGLPTNL-LEWJYISDSA-N 1 3 351.494 3.070 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313162 500438902 /nfs/dbraw/zinc/43/89/02/500438902.db2.gz XPRMJHFRRVGGKQ-CTNGQTDRSA-N 1 3 354.494 3.276 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313162 500438906 /nfs/dbraw/zinc/43/89/06/500438906.db2.gz XPRMJHFRRVGGKQ-CTNGQTDRSA-N 1 3 354.494 3.276 20 0 FGADHO O=C(c1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324178 500441599 /nfs/dbraw/zinc/44/15/99/500441599.db2.gz GWVLTTJEYZNXKJ-RTWAWAEBSA-N 1 3 355.526 3.134 20 0 FGADHO Clc1ccc(CCN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420371565 500449112 /nfs/dbraw/zinc/44/91/12/500449112.db2.gz KMGKZNDTMBNHDJ-INIZCTEOSA-N 1 3 356.341 3.153 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420388706 500453221 /nfs/dbraw/zinc/45/32/21/500453221.db2.gz XIGGMZZGPWHWLG-WFASDCNBSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420388706 500453225 /nfs/dbraw/zinc/45/32/25/500453225.db2.gz XIGGMZZGPWHWLG-WFASDCNBSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297578 500483124 /nfs/dbraw/zinc/48/31/24/500483124.db2.gz SYROPUHKISWDQM-JKSUJKDBSA-N 1 3 363.933 3.323 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316251 500485960 /nfs/dbraw/zinc/48/59/60/500485960.db2.gz CVTIZESOBATEDG-LNRXMEIDSA-N 1 3 369.553 3.135 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316049 500485997 /nfs/dbraw/zinc/48/59/97/500485997.db2.gz CVTIZESOBATEDG-DXBBTUNJSA-N 1 3 369.553 3.135 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473233 500514911 /nfs/dbraw/zinc/51/49/11/500514911.db2.gz LWRWZPVTGBAXNI-AFXVXQJMSA-N 1 3 372.553 3.462 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853215 500515740 /nfs/dbraw/zinc/51/57/40/500515740.db2.gz XWVDKICXVLPMHN-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853215 500515742 /nfs/dbraw/zinc/51/57/42/500515742.db2.gz XWVDKICXVLPMHN-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697540 500545550 /nfs/dbraw/zinc/54/55/50/500545550.db2.gz AYRQCTSCIWTHRF-IBGZPJMESA-N 1 3 372.557 3.387 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000420980739 500546616 /nfs/dbraw/zinc/54/66/16/500546616.db2.gz LVMAJRDGZKUKJQ-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000420980739 500546617 /nfs/dbraw/zinc/54/66/17/500546617.db2.gz LVMAJRDGZKUKJQ-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000420980739 500546618 /nfs/dbraw/zinc/54/66/18/500546618.db2.gz LVMAJRDGZKUKJQ-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CC(C)N1CCC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048153 500613561 /nfs/dbraw/zinc/61/35/61/500613561.db2.gz MCMOHTHJTCUNEK-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759103 500621195 /nfs/dbraw/zinc/62/11/95/500621195.db2.gz KGBLOTJWSGHTKQ-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597681 500631118 /nfs/dbraw/zinc/63/11/18/500631118.db2.gz TUQXBJWHEPMPBW-UKIFCOJHSA-N 1 3 370.537 3.498 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597681 500631121 /nfs/dbraw/zinc/63/11/21/500631121.db2.gz TUQXBJWHEPMPBW-UKIFCOJHSA-N 1 3 370.537 3.498 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000443005683 500661855 /nfs/dbraw/zinc/66/18/55/500661855.db2.gz XAOKQELCHHBXMB-QZTJIDSGSA-N 1 3 356.432 3.481 20 0 FGADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064948 500672242 /nfs/dbraw/zinc/67/22/42/500672242.db2.gz ZCJTZXWZRQBSIT-IRLDBZIGSA-N 1 3 365.521 3.147 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433560214 500712620 /nfs/dbraw/zinc/71/26/20/500712620.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433560214 500712621 /nfs/dbraw/zinc/71/26/21/500712621.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589197 500742547 /nfs/dbraw/zinc/74/25/47/500742547.db2.gz KBVNNTLSPVKMGV-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000570694264 506214081 /nfs/dbraw/zinc/21/40/81/506214081.db2.gz KTTKSVKRGJHSOI-UHFFFAOYSA-N 1 3 371.500 3.134 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000438145590 500745086 /nfs/dbraw/zinc/74/50/86/500745086.db2.gz NMYXSYSALBNBOX-PMACEKPBSA-N 1 3 362.562 3.053 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000438145590 500745089 /nfs/dbraw/zinc/74/50/89/500745089.db2.gz NMYXSYSALBNBOX-PMACEKPBSA-N 1 3 362.562 3.053 20 0 FGADHO CN1CCN(C)[C@H](CNc2cc[nH+]c3ccc(Oc4ccccc4)cc23)C1 ZINC000434099713 500795402 /nfs/dbraw/zinc/79/54/02/500795402.db2.gz KKIIOUAVUMEGPD-QGZVFWFLSA-N 1 3 362.477 3.107 20 0 FGADHO c1cc2c(cc1CN1CCC(OCC[NH+]3CCCC3)CC1)OCCCCO2 ZINC000449028950 500904570 /nfs/dbraw/zinc/90/45/70/500904570.db2.gz NIAMIOZUUMBOIX-UHFFFAOYSA-N 1 3 374.525 3.315 20 0 FGADHO COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000449033944 500906434 /nfs/dbraw/zinc/90/64/34/500906434.db2.gz BIVQGDZNFKPJTG-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO COc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000449033944 500906437 /nfs/dbraw/zinc/90/64/37/500906437.db2.gz BIVQGDZNFKPJTG-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H](CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080920 500919753 /nfs/dbraw/zinc/91/97/53/500919753.db2.gz AHCRFIXMHROQHN-KURKYZTESA-N 1 3 366.571 3.151 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095877 500923973 /nfs/dbraw/zinc/92/39/73/500923973.db2.gz CEILHYIKIGIGOQ-XMTFNYHQSA-N 1 3 366.571 3.150 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095877 500923977 /nfs/dbraw/zinc/92/39/77/500923977.db2.gz CEILHYIKIGIGOQ-XMTFNYHQSA-N 1 3 366.571 3.150 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cc2ccccc2)CC1 ZINC000449125348 500930829 /nfs/dbraw/zinc/93/08/29/500930829.db2.gz JCDAJGFBZGILMM-XXBNENTESA-N 1 3 352.522 3.275 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)N2CCCCCC2)CC1 ZINC000449217723 500950712 /nfs/dbraw/zinc/95/07/12/500950712.db2.gz BGDUWRANPRGYIL-HXUWFJFHSA-N 1 3 371.569 3.464 20 0 FGADHO CC[NH2+]CC1CCN(Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000435370014 500960883 /nfs/dbraw/zinc/96/08/83/500960883.db2.gz HFFPCNHOLGRVLL-UHFFFAOYSA-N 1 3 370.541 3.378 20 0 FGADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343930 500982934 /nfs/dbraw/zinc/98/29/34/500982934.db2.gz OFTDTODFEITDIE-RLLQIKCJSA-N 1 3 360.567 3.256 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371183 500988886 /nfs/dbraw/zinc/98/88/86/500988886.db2.gz RFHJONUCHPSMJQ-KMEYYKJISA-N 1 3 370.603 3.223 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CCN(C)CC1 ZINC000449557563 501033138 /nfs/dbraw/zinc/03/31/38/501033138.db2.gz UZNZMRBFURXMHP-DXIQSLLYSA-N 1 3 371.569 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CCN(C)CC1 ZINC000449557563 501033141 /nfs/dbraw/zinc/03/31/41/501033141.db2.gz UZNZMRBFURXMHP-DXIQSLLYSA-N 1 3 371.569 3.200 20 0 FGADHO CCc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450403509 501113335 /nfs/dbraw/zinc/11/33/35/501113335.db2.gz AXIXWNOLUBVYOJ-LAUBAEHRSA-N 1 3 352.526 3.259 20 0 FGADHO C=Cn1cc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816705 501168017 /nfs/dbraw/zinc/16/80/17/501168017.db2.gz GSIQWARSXPBWPZ-KDURUIRLSA-N 1 3 368.525 3.283 20 0 FGADHO C=Cn1cc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816705 501168020 /nfs/dbraw/zinc/16/80/20/501168020.db2.gz GSIQWARSXPBWPZ-KDURUIRLSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066099 501199523 /nfs/dbraw/zinc/19/95/23/501199523.db2.gz JLWBWWVREFGAIW-HOJAQTOUSA-N 1 3 359.562 3.022 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000453071957 501262816 /nfs/dbraw/zinc/26/28/16/501262816.db2.gz MVUYHVTVAFAWPZ-AQNXPRMDSA-N 1 3 367.493 3.042 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000453071957 501262818 /nfs/dbraw/zinc/26/28/18/501262818.db2.gz MVUYHVTVAFAWPZ-AQNXPRMDSA-N 1 3 367.493 3.042 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453103878 501269797 /nfs/dbraw/zinc/26/97/97/501269797.db2.gz XONFSOFAEIRVSV-YSFYHYPLSA-N 1 3 360.542 3.053 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453103878 501269799 /nfs/dbraw/zinc/26/97/99/501269799.db2.gz XONFSOFAEIRVSV-YSFYHYPLSA-N 1 3 360.542 3.053 20 0 FGADHO CC[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107710 501271261 /nfs/dbraw/zinc/27/12/61/501271261.db2.gz JINYLDOHGIYXGT-SFTDATJTSA-N 1 3 366.509 3.020 20 0 FGADHO CC[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107710 501271264 /nfs/dbraw/zinc/27/12/64/501271264.db2.gz JINYLDOHGIYXGT-SFTDATJTSA-N 1 3 366.509 3.020 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000453128468 501274787 /nfs/dbraw/zinc/27/47/87/501274787.db2.gz DIIALLUAXBYGNB-GUDVDZBRSA-N 1 3 354.498 3.207 20 0 FGADHO CCc1nc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000453128468 501274789 /nfs/dbraw/zinc/27/47/89/501274789.db2.gz DIIALLUAXBYGNB-GUDVDZBRSA-N 1 3 354.498 3.207 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453179892 501286537 /nfs/dbraw/zinc/28/65/37/501286537.db2.gz PPQOVOHSAFZTKM-NJYVYQBISA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453179892 501286540 /nfs/dbraw/zinc/28/65/40/501286540.db2.gz PPQOVOHSAFZTKM-NJYVYQBISA-N 1 3 350.510 3.360 20 0 FGADHO Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453464877 501339304 /nfs/dbraw/zinc/33/93/04/501339304.db2.gz XWVQURCCYCWYSU-WBVHZDCISA-N 1 3 370.497 3.008 20 0 FGADHO C[N@H+](CCCCNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000455620044 501348705 /nfs/dbraw/zinc/34/87/05/501348705.db2.gz RSTJJHPITJQGNV-UHFFFAOYSA-N 1 3 366.594 3.403 20 0 FGADHO C[N@@H+](CCCCNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000455620044 501348707 /nfs/dbraw/zinc/34/87/07/501348707.db2.gz RSTJJHPITJQGNV-UHFFFAOYSA-N 1 3 366.594 3.403 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1 ZINC000458376382 501430598 /nfs/dbraw/zinc/43/05/98/501430598.db2.gz QNONWLPITTUKSA-ROUUACIJSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000454244597 501490402 /nfs/dbraw/zinc/49/04/02/501490402.db2.gz KBKNVYCLELCKAV-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358532 501522098 /nfs/dbraw/zinc/52/20/98/501522098.db2.gz GRXINQMSPZZSHK-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972863 501568388 /nfs/dbraw/zinc/56/83/88/501568388.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972863 501568391 /nfs/dbraw/zinc/56/83/91/501568391.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO CCOc1cc(CN2CCC(OCC[NH+](CC)CC)CC2)ccc1O ZINC000459364933 501639966 /nfs/dbraw/zinc/63/99/66/501639966.db2.gz WYUORYSFQXGEEG-UHFFFAOYSA-N 1 3 350.503 3.114 20 0 FGADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCO2 ZINC000459393009 501645727 /nfs/dbraw/zinc/64/57/27/501645727.db2.gz XLMJBAJNBIRMDR-UHFFFAOYSA-N 1 3 353.466 3.347 20 0 FGADHO Cn1c(CNCC[C@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733427 501705820 /nfs/dbraw/zinc/70/58/20/501705820.db2.gz NMWMCHRYBZNWKF-CYBMUJFWSA-N 1 3 354.420 3.414 20 0 FGADHO Cn1c(CNCC[C@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733427 501705822 /nfs/dbraw/zinc/70/58/22/501705822.db2.gz NMWMCHRYBZNWKF-CYBMUJFWSA-N 1 3 354.420 3.414 20 0 FGADHO COc1ccc([C@H](CO)CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000459765327 501711302 /nfs/dbraw/zinc/71/13/02/501711302.db2.gz XGMQOAVSZSOJDT-HFSMHLIXSA-N 1 3 360.542 3.404 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736892 501787210 /nfs/dbraw/zinc/78/72/10/501787210.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736892 501787212 /nfs/dbraw/zinc/78/72/12/501787212.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000477854472 501811010 /nfs/dbraw/zinc/81/10/10/501811010.db2.gz BKUHBGXNHFYBKU-HKUYNNGSSA-N 1 3 367.493 3.083 20 0 FGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000474464490 501845151 /nfs/dbraw/zinc/84/51/51/501845151.db2.gz POTKKULXSZNUDL-YADHBBJMSA-N 1 3 359.558 3.119 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641026 501885743 /nfs/dbraw/zinc/88/57/43/501885743.db2.gz YRMUILITJYFDMY-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641026 501885747 /nfs/dbraw/zinc/88/57/47/501885747.db2.gz YRMUILITJYFDMY-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000481915506 501917474 /nfs/dbraw/zinc/91/74/74/501917474.db2.gz WIBKERMOANGJAM-HNNXBMFYSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482116036 501980384 /nfs/dbraw/zinc/98/03/84/501980384.db2.gz UDPWCWDWSPBRFN-XMSQKQJNSA-N 1 3 350.510 3.117 20 0 FGADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018422 502022368 /nfs/dbraw/zinc/02/23/68/502022368.db2.gz UWNQRBIHSNGEHP-QIJUGHKUSA-N 1 3 365.521 3.284 20 0 FGADHO CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475100682 502059041 /nfs/dbraw/zinc/05/90/41/502059041.db2.gz KACXEBGRGSCLHO-WOJBJXKFSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475129613 502070666 /nfs/dbraw/zinc/07/06/66/502070666.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475129613 502070671 /nfs/dbraw/zinc/07/06/71/502070671.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525292 502092089 /nfs/dbraw/zinc/09/20/89/502092089.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 1 3 357.542 3.058 20 0 FGADHO CC(C)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525292 502092092 /nfs/dbraw/zinc/09/20/92/502092092.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 1 3 357.542 3.058 20 0 FGADHO C[C@@H](CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OCc1ccccc1 ZINC000475316820 502131742 /nfs/dbraw/zinc/13/17/42/502131742.db2.gz MIUZPPZPWVASJV-NRFANRHFSA-N 1 3 373.585 3.331 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000468691655 502148098 /nfs/dbraw/zinc/14/80/98/502148098.db2.gz YGFFPOPMJYEZMG-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000468691655 502148104 /nfs/dbraw/zinc/14/81/04/502148104.db2.gz YGFFPOPMJYEZMG-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000461729932 502182419 /nfs/dbraw/zinc/18/24/19/502182419.db2.gz QKIYNSQDTQDIJH-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N2CCCC2)cc1 ZINC000479205370 502192838 /nfs/dbraw/zinc/19/28/38/502192838.db2.gz LECKGYPFRVVAQW-RTWAWAEBSA-N 1 3 369.484 3.130 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000472071347 502219662 /nfs/dbraw/zinc/21/96/62/502219662.db2.gz BXBULCYELZYDGR-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419384 502256703 /nfs/dbraw/zinc/25/67/03/502256703.db2.gz AVRZETKTGKNSGD-VQTJNVASSA-N 1 3 360.546 3.195 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000461972763 502258346 /nfs/dbraw/zinc/25/83/46/502258346.db2.gz KIYFORPKKVKAMQ-UHFFFAOYSA-N 1 3 363.571 3.197 20 0 FGADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479436682 502259625 /nfs/dbraw/zinc/25/96/25/502259625.db2.gz KITFWNAPCFRBIA-HXUWFJFHSA-N 1 3 356.514 3.198 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727570 502267836 /nfs/dbraw/zinc/26/78/36/502267836.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727570 502267843 /nfs/dbraw/zinc/26/78/43/502267843.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 1 3 369.553 3.376 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491157 502277284 /nfs/dbraw/zinc/27/72/84/502277284.db2.gz OMMWYERZOBPELU-RTWAWAEBSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491157 502277288 /nfs/dbraw/zinc/27/72/88/502277288.db2.gz OMMWYERZOBPELU-RTWAWAEBSA-N 1 3 372.557 3.195 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC(CC)(Cc3ccccc3)CC2)CC1 ZINC000483132898 502284998 /nfs/dbraw/zinc/28/49/98/502284998.db2.gz WPSWYBJJLJSUEA-UHFFFAOYSA-N 1 3 371.569 3.322 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000479529693 502287469 /nfs/dbraw/zinc/28/74/69/502287469.db2.gz QFFUXCUAXXVZNJ-FQEVSTJZSA-N 1 3 371.912 3.409 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000465554250 502305080 /nfs/dbraw/zinc/30/50/80/502305080.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000465554250 502305087 /nfs/dbraw/zinc/30/50/87/502305087.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 1 3 372.557 3.200 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000465581310 502315459 /nfs/dbraw/zinc/31/54/59/502315459.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000465581310 502315464 /nfs/dbraw/zinc/31/54/64/502315464.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1[nH]nc2ncc(CN3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376858 502334766 /nfs/dbraw/zinc/33/47/66/502334766.db2.gz ZINOPDNGIJZRQN-PZJWPPBQSA-N 1 3 363.509 3.438 20 0 FGADHO O=C(CN(CC1CC1)C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483294403 502341770 /nfs/dbraw/zinc/34/17/70/502341770.db2.gz NGJAKLZJOPEMEI-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000483303209 502344501 /nfs/dbraw/zinc/34/45/01/502344501.db2.gz DZMXWWXNHMZFRK-UHFFFAOYSA-N 1 3 371.569 3.325 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721454 502359741 /nfs/dbraw/zinc/35/97/41/502359741.db2.gz KGYFMGUKBQXRQJ-HMXCVIKNSA-N 1 3 372.557 3.242 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721454 502359747 /nfs/dbraw/zinc/35/97/47/502359747.db2.gz KGYFMGUKBQXRQJ-HMXCVIKNSA-N 1 3 372.557 3.242 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1)N(C)C ZINC000479790067 502378094 /nfs/dbraw/zinc/37/80/94/502378094.db2.gz QRZMWPFVTFSSQM-GGPKGHCWSA-N 1 3 360.546 3.160 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000465814881 502392883 /nfs/dbraw/zinc/39/28/83/502392883.db2.gz MWAHGCCKIMLPAD-LEWJYISDSA-N 1 3 372.557 3.258 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412522 /nfs/dbraw/zinc/41/25/22/502412522.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412525 /nfs/dbraw/zinc/41/25/25/502412525.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903801 502422346 /nfs/dbraw/zinc/42/23/46/502422346.db2.gz DUQJXICTHXBUGQ-FPOVZHCZSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903801 502422349 /nfs/dbraw/zinc/42/23/49/502422349.db2.gz DUQJXICTHXBUGQ-FPOVZHCZSA-N 1 3 374.573 3.422 20 0 FGADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000483529190 502422699 /nfs/dbraw/zinc/42/26/99/502422699.db2.gz HJZQVHWEPUBGES-FQEVSTJZSA-N 1 3 357.542 3.222 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970077 502487773 /nfs/dbraw/zinc/48/77/73/502487773.db2.gz KLAADWGEBINFCM-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970077 502487779 /nfs/dbraw/zinc/48/77/79/502487779.db2.gz KLAADWGEBINFCM-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747148 502520689 /nfs/dbraw/zinc/52/06/89/502520689.db2.gz FRCFCQJEBRCCEL-AQDCRGGLSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747148 502520692 /nfs/dbraw/zinc/52/06/92/502520692.db2.gz FRCFCQJEBRCCEL-AQDCRGGLSA-N 1 3 361.505 3.104 20 0 FGADHO CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000476546393 502520698 /nfs/dbraw/zinc/52/06/98/502520698.db2.gz VMONMODLMJWLJA-IBGZPJMESA-N 1 3 362.562 3.053 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466300249 502530777 /nfs/dbraw/zinc/53/07/77/502530777.db2.gz UPRDXYVXGXABBR-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300249 502530783 /nfs/dbraw/zinc/53/07/83/502530783.db2.gz UPRDXYVXGXABBR-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO c1cc2nccc(NCCCN3CCN(c4cc[nH+]cc4)CC3)c2s1 ZINC000462794620 502577454 /nfs/dbraw/zinc/57/74/54/502577454.db2.gz ZTMNBYKMBMPJOY-UHFFFAOYSA-N 1 3 353.495 3.316 20 0 FGADHO COc1ccc2oc([C@@H](C)[NH2+]C3CCN(CCN(C)C)CC3)c(C)c2c1 ZINC000480532858 502593841 /nfs/dbraw/zinc/59/38/41/502593841.db2.gz ALZWXAPHGVYZGH-MRXNPFEDSA-N 1 3 359.514 3.426 20 0 FGADHO CCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CCNCC1 ZINC000470002922 502626721 /nfs/dbraw/zinc/62/67/21/502626721.db2.gz IMMMPIPBHMPINW-UHFFFAOYSA-N 1 3 369.303 3.184 20 0 FGADHO CCC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CCNCC1 ZINC000470002922 502626722 /nfs/dbraw/zinc/62/67/22/502626722.db2.gz IMMMPIPBHMPINW-UHFFFAOYSA-N 1 3 369.303 3.184 20 0 FGADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(SC)cc1OC ZINC000470018047 502632830 /nfs/dbraw/zinc/63/28/30/502632830.db2.gz MNPXTCNLLNBOTM-MRXNPFEDSA-N 1 3 350.528 3.390 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374614 502634253 /nfs/dbraw/zinc/63/42/53/502634253.db2.gz REWGAKFWLLUJOT-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802406 502675132 /nfs/dbraw/zinc/67/51/32/502675132.db2.gz JALXNBKARLUSJU-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802406 502675137 /nfs/dbraw/zinc/67/51/37/502675137.db2.gz JALXNBKARLUSJU-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802406 502675139 /nfs/dbraw/zinc/67/51/39/502675139.db2.gz JALXNBKARLUSJU-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613977 502682761 /nfs/dbraw/zinc/68/27/61/502682761.db2.gz CEMQYOAQUMDBAQ-XLAORIBOSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613977 502682767 /nfs/dbraw/zinc/68/27/67/502682767.db2.gz CEMQYOAQUMDBAQ-XLAORIBOSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613974 502682897 /nfs/dbraw/zinc/68/28/97/502682897.db2.gz CEMQYOAQUMDBAQ-VSZNYVQBSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613974 502682903 /nfs/dbraw/zinc/68/29/03/502682903.db2.gz CEMQYOAQUMDBAQ-VSZNYVQBSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000582620052 506328690 /nfs/dbraw/zinc/32/86/90/506328690.db2.gz YZGINQQOHMKFEV-KRWDZBQOSA-N 1 3 358.530 3.396 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000582620052 506328692 /nfs/dbraw/zinc/32/86/92/506328692.db2.gz YZGINQQOHMKFEV-KRWDZBQOSA-N 1 3 358.530 3.396 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000480920728 502705240 /nfs/dbraw/zinc/70/52/40/502705240.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 1 3 357.542 3.204 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000480920728 502705242 /nfs/dbraw/zinc/70/52/42/502705242.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 1 3 357.542 3.204 20 0 FGADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000477356560 502751863 /nfs/dbraw/zinc/75/18/63/502751863.db2.gz BQSBGLJDNSJDAX-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000463331668 502760881 /nfs/dbraw/zinc/76/08/81/502760881.db2.gz ZUILGXTZBQIZER-ZNMIVQPWSA-N 1 3 367.921 3.480 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473957593 502761999 /nfs/dbraw/zinc/76/19/99/502761999.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473957593 502762005 /nfs/dbraw/zinc/76/20/05/502762005.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974573 502791273 /nfs/dbraw/zinc/79/12/73/502791273.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974573 502791278 /nfs/dbraw/zinc/79/12/78/502791278.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058967 502871022 /nfs/dbraw/zinc/87/10/22/502871022.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058967 502871027 /nfs/dbraw/zinc/87/10/27/502871027.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 1 3 355.526 3.370 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000505418032 502901059 /nfs/dbraw/zinc/90/10/59/502901059.db2.gz ZTPWDCVWPUFQQZ-XMSQKQJNSA-N 1 3 365.521 3.133 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000505418032 502901062 /nfs/dbraw/zinc/90/10/62/502901062.db2.gz ZTPWDCVWPUFQQZ-XMSQKQJNSA-N 1 3 365.521 3.133 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000513384219 502921114 /nfs/dbraw/zinc/92/11/14/502921114.db2.gz NNOGJNBWZDMICE-CTNGQTDRSA-N 1 3 374.573 3.081 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000501049074 502922192 /nfs/dbraw/zinc/92/21/92/502922192.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000501049074 502922195 /nfs/dbraw/zinc/92/21/95/502922195.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066125 502926408 /nfs/dbraw/zinc/92/64/08/502926408.db2.gz CTPIUSXMLAMSBN-ICSRJNTNSA-N 1 3 372.557 3.409 20 0 FGADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075218 502929460 /nfs/dbraw/zinc/92/94/60/502929460.db2.gz DPTBTYVHBUTKSS-SFHVURJKSA-N 1 3 372.557 3.409 20 0 FGADHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075216 502929968 /nfs/dbraw/zinc/92/99/68/502929968.db2.gz DPTBTYVHBUTKSS-GOSISDBHSA-N 1 3 372.557 3.409 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161800 502951787 /nfs/dbraw/zinc/95/17/87/502951787.db2.gz GNSYWPOGJTXGSL-WMZOPIPTSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161800 502951790 /nfs/dbraw/zinc/95/17/90/502951790.db2.gz GNSYWPOGJTXGSL-WMZOPIPTSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165835 502952152 /nfs/dbraw/zinc/95/21/52/502952152.db2.gz WEYHTUURCLHXLW-SJLPKXTDSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@@H]1C[C@H](CCNCc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500019 502954305 /nfs/dbraw/zinc/95/43/05/502954305.db2.gz KKIBCKSVZKVCOA-WBVHZDCISA-N 1 3 357.523 3.237 20 0 FGADHO C[C@@H]1C[C@H](CCNCc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500019 502954308 /nfs/dbraw/zinc/95/43/08/502954308.db2.gz KKIBCKSVZKVCOA-WBVHZDCISA-N 1 3 357.523 3.237 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683320 502966328 /nfs/dbraw/zinc/96/63/28/502966328.db2.gz ZMNWVOYZMJHSJM-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683320 502966331 /nfs/dbraw/zinc/96/63/31/502966331.db2.gz ZMNWVOYZMJHSJM-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571724 502968666 /nfs/dbraw/zinc/96/86/66/502968666.db2.gz GPZYYZKFYJMSLF-LEWJYISDSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489516731 502976234 /nfs/dbraw/zinc/97/62/34/502976234.db2.gz TZAYOUXNGGUKQX-TZIWHRDSSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489516731 502976238 /nfs/dbraw/zinc/97/62/38/502976238.db2.gz TZAYOUXNGGUKQX-TZIWHRDSSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000497555790 502986389 /nfs/dbraw/zinc/98/63/89/502986389.db2.gz DJLFHFFMCFFHSY-WDSOQIARSA-N 1 3 362.562 3.343 20 0 FGADHO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000497555788 502986724 /nfs/dbraw/zinc/98/67/24/502986724.db2.gz DJLFHFFMCFFHSY-QXAKKESOSA-N 1 3 362.562 3.343 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655144 502991867 /nfs/dbraw/zinc/99/18/67/502991867.db2.gz LKWUJWDCUDYCKY-SLFFLAALSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655144 502991870 /nfs/dbraw/zinc/99/18/70/502991870.db2.gz LKWUJWDCUDYCKY-SLFFLAALSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)no1 ZINC000513655144 502991872 /nfs/dbraw/zinc/99/18/72/502991872.db2.gz LKWUJWDCUDYCKY-SLFFLAALSA-N 1 3 368.525 3.455 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000489684231 503010726 /nfs/dbraw/zinc/01/07/26/503010726.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 1 3 358.452 3.493 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000489684231 503010732 /nfs/dbraw/zinc/01/07/32/503010732.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 1 3 358.452 3.493 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760206 503018056 /nfs/dbraw/zinc/01/80/56/503018056.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760206 503018057 /nfs/dbraw/zinc/01/80/57/503018057.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760206 503018059 /nfs/dbraw/zinc/01/80/59/503018059.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 1 3 357.542 3.295 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965938 503075887 /nfs/dbraw/zinc/07/58/87/503075887.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965938 503075889 /nfs/dbraw/zinc/07/58/89/503075889.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000514202304 503111601 /nfs/dbraw/zinc/11/16/01/503111601.db2.gz VOHIECDSZYSVRJ-DLBZAZTESA-N 1 3 366.575 3.161 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000510542726 503138754 /nfs/dbraw/zinc/13/87/54/503138754.db2.gz BOQJHFOLICKPHS-PXNSSMCTSA-N 1 3 358.530 3.019 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000502267520 503171653 /nfs/dbraw/zinc/17/16/53/503171653.db2.gz MAZMMWDXKNSPIM-GOSISDBHSA-N 1 3 362.518 3.013 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000502267520 503171655 /nfs/dbraw/zinc/17/16/55/503171655.db2.gz MAZMMWDXKNSPIM-GOSISDBHSA-N 1 3 362.518 3.013 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000515291179 503308166 /nfs/dbraw/zinc/30/81/66/503308166.db2.gz CRRSPNOXYHWFAT-IBGZPJMESA-N 1 3 374.573 3.460 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000502941981 503312025 /nfs/dbraw/zinc/31/20/25/503312025.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000502941981 503312027 /nfs/dbraw/zinc/31/20/27/503312027.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 1 3 372.557 3.154 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499116841 503338706 /nfs/dbraw/zinc/33/87/06/503338706.db2.gz LEPCPXZRWXFNNT-UHFFFAOYSA-N 1 3 364.578 3.301 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000511631649 503358659 /nfs/dbraw/zinc/35/86/59/503358659.db2.gz VOFGEZSRHQGDGA-NRFANRHFSA-N 1 3 357.542 3.073 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000493807897 503447102 /nfs/dbraw/zinc/44/71/02/503447102.db2.gz IVDYCCSGWDLVMS-NRFANRHFSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000516129572 503452410 /nfs/dbraw/zinc/45/24/10/503452410.db2.gz OXNUQRIUQDJMJC-LJQANCHMSA-N 1 3 356.510 3.432 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512086746 503453936 /nfs/dbraw/zinc/45/39/36/503453936.db2.gz FZLIYBZXXKDELB-CQSZACIVSA-N 1 3 374.392 3.497 20 0 FGADHO CCC(CC)(CNC(=O)N1CCCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503795765 503472653 /nfs/dbraw/zinc/47/26/53/503472653.db2.gz SRASMCPQXONUSH-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO Cn1cnnc1CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254638 503483047 /nfs/dbraw/zinc/48/30/47/503483047.db2.gz XNTQFRPHTWZHGT-NRFANRHFSA-N 1 3 367.541 3.472 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000508544910 503517413 /nfs/dbraw/zinc/51/74/13/503517413.db2.gz DFXMBFFDWVHXJQ-FQEVSTJZSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177284 503534810 /nfs/dbraw/zinc/53/48/10/503534810.db2.gz PSXJUWANVXAJRJ-VAMGGRTRSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000516633206 503555496 /nfs/dbraw/zinc/55/54/96/503555496.db2.gz ILQRSNSUNKXWOI-GDBMZVCRSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000516633206 503555499 /nfs/dbraw/zinc/55/54/99/503555499.db2.gz ILQRSNSUNKXWOI-GDBMZVCRSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508867941 503582160 /nfs/dbraw/zinc/58/21/60/503582160.db2.gz UNRFSJZYFNXBCV-CEWLAPEOSA-N 1 3 372.557 3.338 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578761 503588232 /nfs/dbraw/zinc/58/82/32/503588232.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578761 503588237 /nfs/dbraw/zinc/58/82/37/503588237.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)N(C)C ZINC000508891137 503590601 /nfs/dbraw/zinc/59/06/01/503590601.db2.gz ARUIOSUCCZJVOE-IEBWSBKVSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508924957 503601278 /nfs/dbraw/zinc/60/12/78/503601278.db2.gz QVQXSIBMFBKZRD-XHJHVDRHSA-N 1 3 372.557 3.253 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508924957 503601280 /nfs/dbraw/zinc/60/12/80/503601280.db2.gz QVQXSIBMFBKZRD-XHJHVDRHSA-N 1 3 372.557 3.253 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C ZINC000508926898 503602378 /nfs/dbraw/zinc/60/23/78/503602378.db2.gz WMAITRORPNEQMI-WIYYLYMNSA-N 1 3 372.557 3.256 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154353 503691256 /nfs/dbraw/zinc/69/12/56/503691256.db2.gz RDPLHFSFNXVMQL-SJORKVTESA-N 1 3 365.587 3.291 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154353 503691263 /nfs/dbraw/zinc/69/12/63/503691263.db2.gz RDPLHFSFNXVMQL-SJORKVTESA-N 1 3 365.587 3.291 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503715007 /nfs/dbraw/zinc/71/50/07/503715007.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 1 3 369.553 3.292 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503715013 /nfs/dbraw/zinc/71/50/13/503715013.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 1 3 369.553 3.292 20 0 FGADHO CCCN(C)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000517348743 503722513 /nfs/dbraw/zinc/72/25/13/503722513.db2.gz OCLUESPSQJIBER-UHFFFAOYSA-N 1 3 353.510 3.373 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411255 503739023 /nfs/dbraw/zinc/73/90/23/503739023.db2.gz YKKCVFOBPNJZPG-QZTJIDSGSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411255 503739026 /nfs/dbraw/zinc/73/90/26/503739026.db2.gz YKKCVFOBPNJZPG-QZTJIDSGSA-N 1 3 352.567 3.203 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)CC(C)C ZINC000517419801 503741521 /nfs/dbraw/zinc/74/15/21/503741521.db2.gz DOJBMESYEPZTQO-MOPGFXCFSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865570 503743670 /nfs/dbraw/zinc/74/36/70/503743670.db2.gz YPRFCVRCBVBDBJ-QRVBRYPASA-N 1 3 356.514 3.412 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000543432210 503767900 /nfs/dbraw/zinc/76/79/00/503767900.db2.gz HRZWWWNXYQUMLJ-LJQANCHMSA-N 1 3 359.558 3.320 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693357 503808740 /nfs/dbraw/zinc/80/87/40/503808740.db2.gz PNNRHVCIOIFCHN-GCJKJVERSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693357 503808747 /nfs/dbraw/zinc/80/87/47/503808747.db2.gz PNNRHVCIOIFCHN-GCJKJVERSA-N 1 3 369.553 3.025 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000517924982 503868087 /nfs/dbraw/zinc/86/80/87/503868087.db2.gz CPDQGTFSJWLAAZ-IRIHCNEDSA-N 1 3 358.526 3.048 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527661641 503883081 /nfs/dbraw/zinc/88/30/81/503883081.db2.gz KTIFUQMSKSYXMF-CZAAIQMYSA-N 1 3 355.526 3.036 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000546861201 503905522 /nfs/dbraw/zinc/90/55/22/503905522.db2.gz DJWSFHHORAGHHG-UHFFFAOYSA-N 1 3 374.573 3.190 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@@]12CCCO2 ZINC000546870286 503909780 /nfs/dbraw/zinc/90/97/80/503909780.db2.gz FGYGTLRJLRUQMZ-PTROGCMSSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@]12CCCO2 ZINC000546870286 503909786 /nfs/dbraw/zinc/90/97/86/503909786.db2.gz FGYGTLRJLRUQMZ-PTROGCMSSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@]12CCCO2 ZINC000546870286 503909792 /nfs/dbraw/zinc/90/97/92/503909792.db2.gz FGYGTLRJLRUQMZ-PTROGCMSSA-N 1 3 370.537 3.213 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000527762837 503932279 /nfs/dbraw/zinc/93/22/79/503932279.db2.gz NMMNIUKFPFBLST-DENIHFKCSA-N 1 3 369.553 3.278 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000527762837 503932284 /nfs/dbraw/zinc/93/22/84/503932284.db2.gz NMMNIUKFPFBLST-DENIHFKCSA-N 1 3 369.553 3.278 20 0 FGADHO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000540988596 503966913 /nfs/dbraw/zinc/96/69/13/503966913.db2.gz NVVPSNVJZIYBGS-PCCBWWKXSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402357 503974649 /nfs/dbraw/zinc/97/46/49/503974649.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402357 503974653 /nfs/dbraw/zinc/97/46/53/503974653.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO COc1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000527991855 504029129 /nfs/dbraw/zinc/02/91/29/504029129.db2.gz XAMBUWSQAIHMBW-MZADTFQBSA-N 1 3 351.494 3.418 20 0 FGADHO COc1ccc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000527991855 504029133 /nfs/dbraw/zinc/02/91/33/504029133.db2.gz XAMBUWSQAIHMBW-MZADTFQBSA-N 1 3 351.494 3.418 20 0 FGADHO COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 ZINC000527991424 504029497 /nfs/dbraw/zinc/02/94/97/504029497.db2.gz VPJIFAULTGSIDA-NJDAHSKKSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528006561 504037181 /nfs/dbraw/zinc/03/71/81/504037181.db2.gz TVFBGZXETNUDNU-LRXVAGHRSA-N 1 3 363.505 3.314 20 0 FGADHO OC1CC[NH+](CCCN[C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541221550 504049094 /nfs/dbraw/zinc/04/90/94/504049094.db2.gz SCVQROMQTNWDSZ-SFHVURJKSA-N 1 3 367.331 3.263 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021659 504117032 /nfs/dbraw/zinc/11/70/32/504117032.db2.gz UIBCDEWFCNCQDI-LGWLGOQQSA-N 1 3 369.431 3.129 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507888 504130750 /nfs/dbraw/zinc/13/07/50/504130750.db2.gz DJWPEVCTUVGVFM-MIUGBVLSSA-N 1 3 358.526 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507888 504130754 /nfs/dbraw/zinc/13/07/54/504130754.db2.gz DJWPEVCTUVGVFM-MIUGBVLSSA-N 1 3 358.526 3.213 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156764 504153245 /nfs/dbraw/zinc/15/32/45/504153245.db2.gz LHHRGNKXGKYEDW-STZQEDGTSA-N 1 3 369.553 3.135 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000519286045 504183874 /nfs/dbraw/zinc/18/38/74/504183874.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 1 3 357.542 3.294 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000519286045 504183878 /nfs/dbraw/zinc/18/38/78/504183878.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 1 3 357.542 3.294 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107755 504192013 /nfs/dbraw/zinc/19/20/13/504192013.db2.gz SXAADNOWFRPGHQ-MRXNPFEDSA-N 1 3 363.571 3.074 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107755 504192018 /nfs/dbraw/zinc/19/20/18/504192018.db2.gz SXAADNOWFRPGHQ-MRXNPFEDSA-N 1 3 363.571 3.074 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000531142568 504203502 /nfs/dbraw/zinc/20/35/02/504203502.db2.gz PQYQNOOSNCBQPT-HNNXBMFYSA-N 1 3 374.481 3.438 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(CO)ccc1F ZINC000528431574 504221126 /nfs/dbraw/zinc/22/11/26/504221126.db2.gz NHOYHGVBHRMNEG-UHFFFAOYSA-N 1 3 357.473 3.452 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000534798940 504244945 /nfs/dbraw/zinc/24/49/45/504244945.db2.gz XKYIRLZBWDNZIR-PWRODBHTSA-N 1 3 358.526 3.107 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571454 504257756 /nfs/dbraw/zinc/25/77/56/504257756.db2.gz QNUVHAPCVSKBKD-NQIIRXRSSA-N 1 3 374.573 3.217 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799264 504258553 /nfs/dbraw/zinc/25/85/53/504258553.db2.gz TYRPQQWCWVWMSW-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799264 504258560 /nfs/dbraw/zinc/25/85/60/504258560.db2.gz TYRPQQWCWVWMSW-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000541851004 504275556 /nfs/dbraw/zinc/27/55/56/504275556.db2.gz UROHDDBHDNDDGH-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302184 /nfs/dbraw/zinc/30/21/84/504302184.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302189 /nfs/dbraw/zinc/30/21/89/504302189.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000528643059 504309491 /nfs/dbraw/zinc/30/94/91/504309491.db2.gz ZGDNVGNLVKBAAW-QFIPXVFZSA-N 1 3 372.553 3.426 20 0 FGADHO OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000528643059 504309497 /nfs/dbraw/zinc/30/94/97/504309497.db2.gz ZGDNVGNLVKBAAW-QFIPXVFZSA-N 1 3 372.553 3.426 20 0 FGADHO C[C@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000519751863 504327839 /nfs/dbraw/zinc/32/78/39/504327839.db2.gz XMFSRLSNVFXGEE-GUDVDZBRSA-N 1 3 357.542 3.371 20 0 FGADHO FC(F)(F)COc1ccc(CCNC2CC[NH+](CC3CC3)CC2)cn1 ZINC000548159057 504351761 /nfs/dbraw/zinc/35/17/61/504351761.db2.gz JHMGFVMJHPCTEM-UHFFFAOYSA-N 1 3 357.420 3.029 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2ccc(C(=O)NC)cc2)CC1)CC1CC1 ZINC000538857703 504394652 /nfs/dbraw/zinc/39/46/52/504394652.db2.gz XLEGKVBTIBKFSL-UHFFFAOYSA-N 1 3 357.542 3.380 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2ccc(C(=O)NC)cc2)CC1)CC1CC1 ZINC000538857703 504394658 /nfs/dbraw/zinc/39/46/58/504394658.db2.gz XLEGKVBTIBKFSL-UHFFFAOYSA-N 1 3 357.542 3.380 20 0 FGADHO C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050358 504457418 /nfs/dbraw/zinc/45/74/18/504457418.db2.gz IKEQGOUJXVPCMV-JTSKRJEESA-N 1 3 353.510 3.464 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481467 504459842 /nfs/dbraw/zinc/45/98/42/504459842.db2.gz QOSYREVDWKXOMF-NQIIRXRSSA-N 1 3 354.494 3.058 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200341 504496822 /nfs/dbraw/zinc/49/68/22/504496822.db2.gz FQHGIUBUGQGDIK-UYAOXDASSA-N 1 3 361.505 3.234 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200341 504496826 /nfs/dbraw/zinc/49/68/26/504496826.db2.gz FQHGIUBUGQGDIK-UYAOXDASSA-N 1 3 361.505 3.234 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCN3C3CCCC3)ccc21 ZINC000529116494 504541093 /nfs/dbraw/zinc/54/10/93/504541093.db2.gz YJIOQESWUMZJTF-AZUAARDMSA-N 1 3 356.514 3.374 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000535806503 504550948 /nfs/dbraw/zinc/55/09/48/504550948.db2.gz ZFNVYJWRSMYMHQ-IRLDBZIGSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000535806503 504550952 /nfs/dbraw/zinc/55/09/52/504550952.db2.gz ZFNVYJWRSMYMHQ-IRLDBZIGSA-N 1 3 371.569 3.467 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1N(C)C ZINC000539857525 504719195 /nfs/dbraw/zinc/71/91/95/504719195.db2.gz IAWPDNZVIYXXLH-LJQANCHMSA-N 1 3 367.541 3.011 20 0 FGADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724553 /nfs/dbraw/zinc/72/45/53/504724553.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724557 /nfs/dbraw/zinc/72/45/57/504724557.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759059 /nfs/dbraw/zinc/75/90/59/504759059.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759061 /nfs/dbraw/zinc/75/90/61/504759061.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000565037833 504778359 /nfs/dbraw/zinc/77/83/59/504778359.db2.gz DLQXVBNLAUEYCT-UHFFFAOYSA-N 1 3 372.557 3.446 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCc4ccccc43)CC2)CC1 ZINC000552917756 504786983 /nfs/dbraw/zinc/78/69/83/504786983.db2.gz ITXGGDQIAPNTEB-QFIPXVFZSA-N 1 3 369.553 3.329 20 0 FGADHO CN(C)C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472088 504831898 /nfs/dbraw/zinc/83/18/98/504831898.db2.gz QGTUWAKIDFKYGB-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO CN(C)C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472088 504831901 /nfs/dbraw/zinc/83/19/01/504831901.db2.gz QGTUWAKIDFKYGB-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO CC[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303913 504849316 /nfs/dbraw/zinc/84/93/16/504849316.db2.gz XITLVVAPOFBFGE-AOIWGVFYSA-N 1 3 363.933 3.229 20 0 FGADHO Brc1ccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000565599227 504933479 /nfs/dbraw/zinc/93/34/79/504933479.db2.gz SBMOGAKUBSPEJO-OAHLLOKOSA-N 1 3 353.304 3.149 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772516 504940685 /nfs/dbraw/zinc/94/06/85/504940685.db2.gz DVMYIQUHPYTKGI-IYBDPMFKSA-N 1 3 374.529 3.047 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772516 504940690 /nfs/dbraw/zinc/94/06/90/504940690.db2.gz DVMYIQUHPYTKGI-IYBDPMFKSA-N 1 3 374.529 3.047 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000550138771 504975534 /nfs/dbraw/zinc/97/55/34/504975534.db2.gz DWPNCWXFXDESHX-LJQANCHMSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000550138771 504975540 /nfs/dbraw/zinc/97/55/40/504975540.db2.gz DWPNCWXFXDESHX-LJQANCHMSA-N 1 3 357.542 3.340 20 0 FGADHO CC(C)Cc1cccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000556871128 505001352 /nfs/dbraw/zinc/00/13/52/505001352.db2.gz SVJCDBPMIAAXFR-SFHVURJKSA-N 1 3 359.558 3.478 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781837 505007986 /nfs/dbraw/zinc/00/79/86/505007986.db2.gz GLRUXNINTZMFDW-KGVIQGDOSA-N 1 3 369.553 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781837 505007989 /nfs/dbraw/zinc/00/79/89/505007989.db2.gz GLRUXNINTZMFDW-KGVIQGDOSA-N 1 3 369.553 3.473 20 0 FGADHO OC1(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CCC1 ZINC000565887284 505018040 /nfs/dbraw/zinc/01/80/40/505018040.db2.gz JVEQINDRFRMGFC-UHFFFAOYSA-N 1 3 365.521 3.013 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830903 505111263 /nfs/dbraw/zinc/11/12/63/505111263.db2.gz LRANWQWCCWORNA-WSWWRLHASA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830903 505111268 /nfs/dbraw/zinc/11/12/68/505111268.db2.gz LRANWQWCCWORNA-WSWWRLHASA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000550830903 505111274 /nfs/dbraw/zinc/11/12/74/505111274.db2.gz LRANWQWCCWORNA-WSWWRLHASA-N 1 3 371.569 3.429 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000554192601 505113274 /nfs/dbraw/zinc/11/32/74/505113274.db2.gz ZYFJOVPEAAUPPT-QWFCFKBJSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000554192601 505113276 /nfs/dbraw/zinc/11/32/76/505113276.db2.gz ZYFJOVPEAAUPPT-QWFCFKBJSA-N 1 3 360.546 3.017 20 0 FGADHO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524503 505114269 /nfs/dbraw/zinc/11/42/69/505114269.db2.gz DFLANTLPYIIMKQ-QHAWAJNXSA-N 1 3 369.553 3.313 20 0 FGADHO COC(=O)c1csc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560528125 505115811 /nfs/dbraw/zinc/11/58/11/505115811.db2.gz NRZBCZVGVPLNMT-QLFBSQMISA-N 1 3 354.516 3.075 20 0 FGADHO O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528781 505116485 /nfs/dbraw/zinc/11/64/85/505116485.db2.gz KRZVHVRTFMGRMF-NCYKPQTJSA-N 1 3 360.567 3.135 20 0 FGADHO c1ccc(OCc2cccnc2)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000566230301 505119180 /nfs/dbraw/zinc/11/91/80/505119180.db2.gz ZZHHOVLGYAAGOK-HXUWFJFHSA-N 1 3 351.494 3.482 20 0 FGADHO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000560549839 505122537 /nfs/dbraw/zinc/12/25/37/505122537.db2.gz ZIGDSWIECDCELN-CEMLEFRQSA-N 1 3 352.526 3.243 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252189 505125664 /nfs/dbraw/zinc/12/56/64/505125664.db2.gz GXNGDLMZCCGBQT-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252189 505125668 /nfs/dbraw/zinc/12/56/68/505125668.db2.gz GXNGDLMZCCGBQT-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000560639880 505151742 /nfs/dbraw/zinc/15/17/42/505151742.db2.gz SCOVGCDRPSVANJ-QFIPXVFZSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000560639880 505151743 /nfs/dbraw/zinc/15/17/43/505151743.db2.gz SCOVGCDRPSVANJ-QFIPXVFZSA-N 1 3 359.558 3.466 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000563499113 505157102 /nfs/dbraw/zinc/15/71/02/505157102.db2.gz MVVPRJQVHWTHLP-IRXDYDNUSA-N 1 3 358.530 3.212 20 0 FGADHO O=C(C[C@@H]1CCC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000566470916 505184405 /nfs/dbraw/zinc/18/44/05/505184405.db2.gz MOTDIPRWFCSFOO-SFHVURJKSA-N 1 3 363.933 3.154 20 0 FGADHO COc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979714 505221659 /nfs/dbraw/zinc/22/16/59/505221659.db2.gz PFYHGVQAZIYCII-UYAOXDASSA-N 1 3 362.514 3.201 20 0 FGADHO COc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000551529063 505244996 /nfs/dbraw/zinc/24/49/96/505244996.db2.gz AOQQDHOEPMTZNX-KFWWJZLASA-N 1 3 355.910 3.284 20 0 FGADHO COc1ncc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529066 505245069 /nfs/dbraw/zinc/24/50/69/505245069.db2.gz AOQQDHOEPMTZNX-KKUMJFAQSA-N 1 3 355.910 3.284 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000566924073 505312867 /nfs/dbraw/zinc/31/28/67/505312867.db2.gz MBRXZGGUJDNOBD-UNMCSNQZSA-N 1 3 369.553 3.103 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)C1CCN(C)CC1 ZINC000551813594 505316899 /nfs/dbraw/zinc/31/68/99/505316899.db2.gz NFTPSWNGVJEREW-FGZHOGPDSA-N 1 3 357.542 3.360 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)C1CCN(C)CC1 ZINC000551813594 505316903 /nfs/dbraw/zinc/31/69/03/505316903.db2.gz NFTPSWNGVJEREW-FGZHOGPDSA-N 1 3 357.542 3.360 20 0 FGADHO O=C(c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000564085924 505321794 /nfs/dbraw/zinc/32/17/94/505321794.db2.gz RYGLTWKKTAPSKH-NRFANRHFSA-N 1 3 355.526 3.134 20 0 FGADHO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000558349317 505365544 /nfs/dbraw/zinc/36/55/44/505365544.db2.gz UQNFXPDPAGMRPB-QAPCUYQASA-N 1 3 360.546 3.286 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367973 /nfs/dbraw/zinc/36/79/73/505367973.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367975 /nfs/dbraw/zinc/36/79/75/505367975.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000552061580 505387125 /nfs/dbraw/zinc/38/71/25/505387125.db2.gz ROSYZFYZBIHGHK-HNNXBMFYSA-N 1 3 363.452 3.411 20 0 FGADHO CN(C)[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000564464337 505426706 /nfs/dbraw/zinc/42/67/06/505426706.db2.gz BSFFYEHJHDSALR-XUVXKRRUSA-N 1 3 371.912 3.062 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000558608739 505438295 /nfs/dbraw/zinc/43/82/95/505438295.db2.gz WJZLVKWCOCOKIQ-LJQANCHMSA-N 1 3 374.573 3.379 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000558608739 505438298 /nfs/dbraw/zinc/43/82/98/505438298.db2.gz WJZLVKWCOCOKIQ-LJQANCHMSA-N 1 3 374.573 3.379 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386873 505448482 /nfs/dbraw/zinc/44/84/82/505448482.db2.gz LKGLIEQXQBOPSW-LFGUQSLTSA-N 1 3 365.521 3.337 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)Cc2ccco2)CC1 ZINC000567453378 505468078 /nfs/dbraw/zinc/46/80/78/505468078.db2.gz TYTDBGIYZJCCCM-ICSRJNTNSA-N 1 3 356.510 3.116 20 0 FGADHO COc1cc(F)c([C@H](C)NCC2(SC)CC[NH+](C)CC2)cc1OC ZINC000562099736 505518998 /nfs/dbraw/zinc/51/89/98/505518998.db2.gz IZSVBIAQLVTLEQ-ZDUSSCGKSA-N 1 3 356.507 3.321 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908680 505527289 /nfs/dbraw/zinc/52/72/89/505527289.db2.gz TWEUNVAHAJHGKO-YOEHRIQHSA-N 1 3 368.953 3.218 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000567706553 505544590 /nfs/dbraw/zinc/54/45/90/505544590.db2.gz WBHUBIHCDFRIKX-JTHBVZDNSA-N 1 3 365.521 3.067 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000582719934 506384096 /nfs/dbraw/zinc/38/40/96/506384096.db2.gz JRTOVFBIWPENLN-LJQANCHMSA-N 1 3 358.555 3.044 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167793 506449466 /nfs/dbraw/zinc/44/94/66/506449466.db2.gz SZLSCSCIUCCVLW-LEWJYISDSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(C)C ZINC000608616174 506634116 /nfs/dbraw/zinc/63/41/16/506634116.db2.gz VNMHOSVVPPHVLO-HXUWFJFHSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635036 506641842 /nfs/dbraw/zinc/64/18/42/506641842.db2.gz ZZYCTQXTQLFNIV-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635036 506641847 /nfs/dbraw/zinc/64/18/47/506641847.db2.gz ZZYCTQXTQLFNIV-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000604165028 506732554 /nfs/dbraw/zinc/73/25/54/506732554.db2.gz WTVHZSOZIZGFRB-NRFANRHFSA-N 1 3 370.541 3.140 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604201567 506748179 /nfs/dbraw/zinc/74/81/79/506748179.db2.gz ABAGTGGFMIQNIB-OAQYLSRUSA-N 1 3 372.557 3.197 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000594092678 506935620 /nfs/dbraw/zinc/93/56/20/506935620.db2.gz JEWRNDYEZHVNLD-NRFANRHFSA-N 1 3 370.541 3.052 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000604806521 506951000 /nfs/dbraw/zinc/95/10/00/506951000.db2.gz QXKPUWLIWIWXKT-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000590819018 506980119 /nfs/dbraw/zinc/98/01/19/506980119.db2.gz SZUXXUXUCXVLDM-QGZVFWFLSA-N 1 3 354.922 3.132 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000590819018 506980125 /nfs/dbraw/zinc/98/01/25/506980125.db2.gz SZUXXUXUCXVLDM-QGZVFWFLSA-N 1 3 354.922 3.132 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000583920081 507051313 /nfs/dbraw/zinc/05/13/13/507051313.db2.gz FGBLAOCPODFFAS-HXUWFJFHSA-N 1 3 350.466 3.076 20 0 FGADHO COC[C@](C)(O)CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087378 507144367 /nfs/dbraw/zinc/14/43/67/507144367.db2.gz XAHKNLMGKCEXKT-LEWJYISDSA-N 1 3 366.521 3.366 20 0 FGADHO COC[C@@](C)(O)CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087380 507144712 /nfs/dbraw/zinc/14/47/12/507144712.db2.gz XAHKNLMGKCEXKT-RTWAWAEBSA-N 1 3 366.521 3.366 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000605340003 507153329 /nfs/dbraw/zinc/15/33/29/507153329.db2.gz FQTFNEATDPYNQY-LJQANCHMSA-N 1 3 374.529 3.013 20 0 FGADHO CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000584290125 507262191 /nfs/dbraw/zinc/26/21/91/507262191.db2.gz FBIWUWLWGZUMND-NLWGTHIKSA-N 1 3 360.546 3.198 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543836 507284861 /nfs/dbraw/zinc/28/48/61/507284861.db2.gz PTMJCEJKFJFBNL-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344802 /nfs/dbraw/zinc/34/48/02/507344802.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344808 /nfs/dbraw/zinc/34/48/08/507344808.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 1 3 367.921 3.482 20 0 FGADHO CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000607383913 507715641 /nfs/dbraw/zinc/71/56/41/507715641.db2.gz GSTXIBGOOTWKLY-QFIPXVFZSA-N 1 3 365.521 3.315 20 0 FGADHO C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CCC2)C1 ZINC000615193023 507774203 /nfs/dbraw/zinc/77/42/03/507774203.db2.gz CYLQUAJFAWXLBU-KNQAVFIVSA-N 1 3 369.553 3.199 20 0 FGADHO CN1CCC[N@H+](CCCNCc2cc(Br)ccc2Cl)CC1 ZINC000136059368 704857441 /nfs/dbraw/zinc/85/74/41/704857441.db2.gz QAZKJYZPPRPQRN-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2cc(Br)ccc2Cl)CC1 ZINC000136059368 704857446 /nfs/dbraw/zinc/85/74/46/704857446.db2.gz QAZKJYZPPRPQRN-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO C[C@@H]1CN(CCCOc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374327937 713913862 /nfs/dbraw/zinc/91/38/62/713913862.db2.gz YBYUBLRDKLTKQQ-XLIONFOSSA-N 1 3 365.949 3.067 20 0 FGADHO CC(C)Sc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617504816 714663286 /nfs/dbraw/zinc/66/32/86/714663286.db2.gz LKFSCABTLBGKRX-INIZCTEOSA-N 1 3 351.560 3.189 20 0 FGADHO CC(C)Sc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617504816 714663288 /nfs/dbraw/zinc/66/32/88/714663288.db2.gz LKFSCABTLBGKRX-INIZCTEOSA-N 1 3 351.560 3.189 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656729 715014514 /nfs/dbraw/zinc/01/45/14/715014514.db2.gz WAZGOLSRZOVRGH-INIZCTEOSA-N 1 3 351.922 3.010 20 0 FGADHO CN1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)c3)cn2)CC1 ZINC000623352711 715316990 /nfs/dbraw/zinc/31/69/90/715316990.db2.gz KRUIBLRPXWTOKM-UHFFFAOYSA-N 1 3 370.444 3.204 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381099 715322474 /nfs/dbraw/zinc/32/24/74/715322474.db2.gz AQWCUNBGLGCVHI-ZDUSSCGKSA-N 1 3 369.303 3.183 20 0 FGADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ncc1Br ZINC000623424822 715333791 /nfs/dbraw/zinc/33/37/91/715333791.db2.gz GIRYIDQGCQTGJN-GJZGRUSLSA-N 1 3 370.335 3.132 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013840 717139971 /nfs/dbraw/zinc/13/99/71/717139971.db2.gz WQVKEXKBXBSAAH-NUJGCVRESA-N 1 3 352.544 3.094 20 0 FGADHO COCCc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000638131104 717410634 /nfs/dbraw/zinc/41/06/34/717410634.db2.gz JLCYPNFJTDFPDF-UHFFFAOYSA-N 1 3 351.560 3.420 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645118273 718183857 /nfs/dbraw/zinc/18/38/57/718183857.db2.gz NZKIAFUPVYDDGG-SJORKVTESA-N 1 3 364.559 3.011 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645118273 718183858 /nfs/dbraw/zinc/18/38/58/718183858.db2.gz NZKIAFUPVYDDGG-SJORKVTESA-N 1 3 364.559 3.011 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000645159432 718188082 /nfs/dbraw/zinc/18/80/82/718188082.db2.gz ALONTSRWORKSLT-QZTJIDSGSA-N 1 3 366.575 3.257 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000645159432 718188085 /nfs/dbraw/zinc/18/80/85/718188085.db2.gz ALONTSRWORKSLT-QZTJIDSGSA-N 1 3 366.575 3.257 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000646562207 718297651 /nfs/dbraw/zinc/29/76/51/718297651.db2.gz LCTWCPJETHDZNB-UHFFFAOYSA-N 1 3 363.933 3.153 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536896 /nfs/dbraw/zinc/53/68/96/718536896.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 1 3 363.571 3.213 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536898 /nfs/dbraw/zinc/53/68/98/718536898.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 1 3 363.571 3.213 20 0 FGADHO Cc1cc(Br)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651582465 718835180 /nfs/dbraw/zinc/83/51/80/718835180.db2.gz GMIPWZLIDISRDT-CYBMUJFWSA-N 1 3 372.376 3.077 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CCN ZINC000652354266 718935899 /nfs/dbraw/zinc/93/58/99/718935899.db2.gz RJBVKJLBEQMULB-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CCN ZINC000652354266 718935900 /nfs/dbraw/zinc/93/59/00/718935900.db2.gz RJBVKJLBEQMULB-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354266 718935902 /nfs/dbraw/zinc/93/59/02/718935902.db2.gz RJBVKJLBEQMULB-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CCN ZINC000652354268 718936335 /nfs/dbraw/zinc/93/63/35/718936335.db2.gz RJBVKJLBEQMULB-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CCN ZINC000652354268 718936338 /nfs/dbraw/zinc/93/63/38/718936338.db2.gz RJBVKJLBEQMULB-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354268 718936341 /nfs/dbraw/zinc/93/63/41/718936341.db2.gz RJBVKJLBEQMULB-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC000652363640 718937404 /nfs/dbraw/zinc/93/74/04/718937404.db2.gz JWYONGVTZRXCBD-KYJSFNMBSA-N 1 3 356.869 3.219 20 0 FGADHO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001164619297 719049035 /nfs/dbraw/zinc/04/90/35/719049035.db2.gz CLDHQQCPGGRZIT-FYYLOGMGSA-N 1 3 362.521 3.261 20 0 FGADHO FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658166590 719765066 /nfs/dbraw/zinc/76/50/66/719765066.db2.gz BOGQNOIVJIIKDL-MKXGPGLRSA-N 1 3 350.453 3.301 20 0 FGADHO CO[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C1CCCCC1 ZINC000660149566 719997538 /nfs/dbraw/zinc/99/75/38/719997538.db2.gz CTVHWMJYZVQGLU-OAQYLSRUSA-N 1 3 351.579 3.072 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060044 /nfs/dbraw/zinc/06/00/44/720060044.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 1 3 358.555 3.471 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060051 /nfs/dbraw/zinc/06/00/51/720060051.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 1 3 358.555 3.471 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000663620729 720530921 /nfs/dbraw/zinc/53/09/21/720530921.db2.gz RLNKEVLYQLYHQL-MSOLQXFVSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000663620729 720530925 /nfs/dbraw/zinc/53/09/25/720530925.db2.gz RLNKEVLYQLYHQL-MSOLQXFVSA-N 1 3 366.575 3.257 20 0 FGADHO CC(C)(C)N(c1ccc(CN2CCCC2)cn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736192 720546070 /nfs/dbraw/zinc/54/60/70/720546070.db2.gz VJNJJSKIDBTESM-LJQANCHMSA-N 1 3 372.557 3.193 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000664314555 720623445 /nfs/dbraw/zinc/62/34/45/720623445.db2.gz LOWRFMAIQHSYTK-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000664314555 720623448 /nfs/dbraw/zinc/62/34/48/720623448.db2.gz LOWRFMAIQHSYTK-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640542 720794409 /nfs/dbraw/zinc/79/44/09/720794409.db2.gz XNOJZQWXRXAOII-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640542 720794410 /nfs/dbraw/zinc/79/44/10/720794410.db2.gz XNOJZQWXRXAOII-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000678747493 721975542 /nfs/dbraw/zinc/97/55/42/721975542.db2.gz YYDSCOMLGKVZRP-WMZOPIPTSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@](O)(CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115761 722420940 /nfs/dbraw/zinc/42/09/40/722420940.db2.gz NJDRXQRYJWWFDT-CABCVRRESA-N 1 3 366.374 3.047 20 0 FGADHO C[C@](O)(CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115761 722420941 /nfs/dbraw/zinc/42/09/41/722420941.db2.gz NJDRXQRYJWWFDT-CABCVRRESA-N 1 3 366.374 3.047 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCOC3CCCCCC3)CC2)CC1 ZINC000761123473 723123867 /nfs/dbraw/zinc/12/38/67/723123867.db2.gz OJMZTTLZFCYADH-UHFFFAOYSA-N 1 3 351.579 3.216 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000790748123 723173130 /nfs/dbraw/zinc/17/31/30/723173130.db2.gz JUSXWLWPLCNWIM-IAGOWNOFSA-N 1 3 353.551 3.391 20 0 FGADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000790749136 723173478 /nfs/dbraw/zinc/17/34/78/723173478.db2.gz CXWSHUWLCUXDLD-JKSUJKDBSA-N 1 3 360.489 3.455 20 0 FGADHO C[N@H+](CCCN1CCCC1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953216 724349979 /nfs/dbraw/zinc/34/99/79/724349979.db2.gz LEAFUYMAUGKLKN-SFHVURJKSA-N 1 3 353.551 3.441 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953216 724349982 /nfs/dbraw/zinc/34/99/82/724349982.db2.gz LEAFUYMAUGKLKN-SFHVURJKSA-N 1 3 353.551 3.441 20 0 FGADHO C[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785442571 724912967 /nfs/dbraw/zinc/91/29/67/724912967.db2.gz OKMNKNNEHMALBY-QGZVFWFLSA-N 1 3 353.551 3.488 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000817916977 727287769 /nfs/dbraw/zinc/28/77/69/727287769.db2.gz CAYCUXDNJVXZIE-RSNWOKGLSA-N 1 3 351.853 3.414 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818980752 727333704 /nfs/dbraw/zinc/33/37/04/727333704.db2.gz NDDIJRPMJCUFII-KRWDZBQOSA-N 1 3 373.310 3.332 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085721 727345788 /nfs/dbraw/zinc/34/57/88/727345788.db2.gz WDHHSVWCEJYLAN-ACJLOTCBSA-N 1 3 373.324 3.117 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135448 727351062 /nfs/dbraw/zinc/35/10/62/727351062.db2.gz XDHIZFPEAHIDAS-ZENOOKHLSA-N 1 3 359.283 3.084 20 0 FGADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465422 729283068 /nfs/dbraw/zinc/28/30/68/729283068.db2.gz YBRDNZXHMOTDCC-ROUUACIJSA-N 1 3 353.551 3.201 20 0 FGADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513350 729808955 /nfs/dbraw/zinc/80/89/55/729808955.db2.gz KYBYIXLCGXZHLA-XSLAGTTESA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513350 729808957 /nfs/dbraw/zinc/80/89/57/729808957.db2.gz KYBYIXLCGXZHLA-XSLAGTTESA-N 1 3 351.535 3.381 20 0 FGADHO [NH3+]CCCCCCNCc1c(F)ccc(I)c1F ZINC000843130006 730589305 /nfs/dbraw/zinc/58/93/05/730589305.db2.gz WNIPYIRQUMAGSI-UHFFFAOYSA-N 1 3 368.209 3.178 20 0 FGADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398371 730614477 /nfs/dbraw/zinc/61/44/77/730614477.db2.gz IBWKPPQAEBDXLF-CRAIPNDOSA-N 1 3 351.535 3.096 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N(CC[NH+](C)C)c2ccccc2)cc(Cl)n1 ZINC000844178481 730690791 /nfs/dbraw/zinc/69/07/91/730690791.db2.gz WWHOWBSWRXHORM-QGZVFWFLSA-N 1 3 360.889 3.028 20 0 FGADHO Cn1cc(CNCCCCCCC[NH+]2CCCC2)c(Br)n1 ZINC000858127669 732183204 /nfs/dbraw/zinc/18/32/04/732183204.db2.gz MDBXWXLQUWQBJK-UHFFFAOYSA-N 1 3 357.340 3.319 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000859962276 732424585 /nfs/dbraw/zinc/42/45/85/732424585.db2.gz NJYKEXQDOUGRDS-UWWQBHOKSA-N 1 3 367.331 3.084 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862294244 732805952 /nfs/dbraw/zinc/80/59/52/732805952.db2.gz DLVIUQJGCKIQKX-HNNXBMFYSA-N 1 3 361.477 3.095 20 0 FGADHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873211948 735738597 /nfs/dbraw/zinc/73/85/97/735738597.db2.gz UKVGMXRCCBOEIU-AWEZNQCLSA-N 1 3 355.507 3.371 20 0 FGADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289924 735746699 /nfs/dbraw/zinc/74/66/99/735746699.db2.gz MIJXJJQXOYUIOZ-NWDGAFQWSA-N 1 3 359.333 3.320 20 0 FGADHO CN(CCCCCC[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000874432574 735869022 /nfs/dbraw/zinc/86/90/22/735869022.db2.gz NHWJKRYNEQUJEH-MRXNPFEDSA-N 1 3 352.548 3.046 20 0 FGADHO CCOC(=O)c1csc(CC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000880263246 737143937 /nfs/dbraw/zinc/14/39/37/737143937.db2.gz HTZMATLIYDMKBR-MRXNPFEDSA-N 1 3 365.543 3.059 20 0 FGADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC000900367618 743104159 /nfs/dbraw/zinc/10/41/59/743104159.db2.gz RVWFBXLWKQWKRE-UHFFFAOYSA-N 1 3 369.296 3.240 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336494 743734046 /nfs/dbraw/zinc/73/40/46/743734046.db2.gz MKGWXSQILJVJTO-AWEZNQCLSA-N 1 3 353.894 3.045 20 0 FGADHO CCN1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000903272543 743833190 /nfs/dbraw/zinc/83/31/90/743833190.db2.gz VNRJGWRBESSCQB-QZTJIDSGSA-N 1 3 355.448 3.123 20 0 FGADHO Cc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000903761576 743881458 /nfs/dbraw/zinc/88/14/58/743881458.db2.gz WICYGNQTJNNFIP-SJORKVTESA-N 1 3 367.331 3.476 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392064 758912413 /nfs/dbraw/zinc/91/24/13/758912413.db2.gz AZFZXNTVAQEXHY-SOAMZJECSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392064 758912417 /nfs/dbraw/zinc/91/24/17/758912417.db2.gz AZFZXNTVAQEXHY-SOAMZJECSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393604 758912956 /nfs/dbraw/zinc/91/29/56/758912956.db2.gz MLGTYMRYLFNWBA-MTNOOBJLSA-N 1 3 351.922 3.003 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393604 758912964 /nfs/dbraw/zinc/91/29/64/758912964.db2.gz MLGTYMRYLFNWBA-MTNOOBJLSA-N 1 3 351.922 3.003 20 0 FGADHO [NH3+]C[C@@H](NC[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373720 759107978 /nfs/dbraw/zinc/10/79/78/759107978.db2.gz PBSREWXKAKRJRK-XJKSGUPXSA-N 1 3 361.313 3.230 20 0 FGADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)ccc1OC(F)F ZINC000925779409 759535795 /nfs/dbraw/zinc/53/57/95/759535795.db2.gz NBAOESPELREVAR-ZYHUDNBSSA-N 1 3 350.356 3.192 20 0 FGADHO CCCCN(CC1CCS(=O)(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034732 760760841 /nfs/dbraw/zinc/76/08/41/760760841.db2.gz WJSGNROWPODXOE-UHFFFAOYSA-N 1 3 358.592 3.223 20 0 FGADHO CCCC[N@H+](CC1CCS(=O)(=O)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034732 760760852 /nfs/dbraw/zinc/76/08/52/760760852.db2.gz WJSGNROWPODXOE-UHFFFAOYSA-N 1 3 358.592 3.223 20 0 FGADHO CCCC[N@@H+](CC1CCS(=O)(=O)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034732 760760857 /nfs/dbraw/zinc/76/08/57/760760857.db2.gz WJSGNROWPODXOE-UHFFFAOYSA-N 1 3 358.592 3.223 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3sccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995827313 764970398 /nfs/dbraw/zinc/97/03/98/764970398.db2.gz UUBROJWDSOFDKW-IOASZLSFSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3sccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995827313 764970402 /nfs/dbraw/zinc/97/04/02/764970402.db2.gz UUBROJWDSOFDKW-IOASZLSFSA-N 1 3 369.962 3.068 20 0 FGADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234236 /nfs/dbraw/zinc/23/42/36/766234236.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 1 3 363.571 3.176 20 0 FGADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234241 /nfs/dbraw/zinc/23/42/41/766234241.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049483491 766786683 /nfs/dbraw/zinc/78/66/83/766786683.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 1 3 361.555 3.044 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049483491 766786687 /nfs/dbraw/zinc/78/66/87/766786687.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 1 3 361.555 3.044 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001052392182 766900491 /nfs/dbraw/zinc/90/04/91/766900491.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001052392182 766900495 /nfs/dbraw/zinc/90/04/95/766900495.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 1 3 363.933 3.151 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565906 257374835 /nfs/dbraw/zinc/37/48/35/257374835.db2.gz IUSSTQNWTAPHLS-DHIUTWEWSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc(OCCN(C)C)c1 ZINC000540148427 503690215 /nfs/dbraw/zinc/69/02/15/503690215.db2.gz OCINYICQQVOVSB-INIZCTEOSA-N 1 3 352.482 3.397 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160954 503694701 /nfs/dbraw/zinc/69/47/01/503694701.db2.gz KJXVNIOJRIIVQE-KNXBSLHKSA-N 1 3 368.525 3.209 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160954 503694706 /nfs/dbraw/zinc/69/47/06/503694706.db2.gz KJXVNIOJRIIVQE-KNXBSLHKSA-N 1 3 368.525 3.209 20 0 FGADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571047273 505640869 /nfs/dbraw/zinc/64/08/69/505640869.db2.gz PGNYRDQITYSYCO-QLFBSQMISA-N 1 3 369.431 3.354 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000577059421 505654343 /nfs/dbraw/zinc/65/43/43/505654343.db2.gz OQOQWDAMSREVIJ-OAQYLSRUSA-N 1 3 351.494 3.032 20 0 FGADHO COC1CCN(C(C)(C)CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000573917236 505651143 /nfs/dbraw/zinc/65/11/43/505651143.db2.gz PRYFMBAJVJQEGM-GOSISDBHSA-N 1 3 367.578 3.070 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000579985063 505656664 /nfs/dbraw/zinc/65/66/64/505656664.db2.gz YAPPUKOEWZVQEG-GOSISDBHSA-N 1 3 356.489 3.474 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000568307465 505662551 /nfs/dbraw/zinc/66/25/51/505662551.db2.gz WRQVXQCHQQJLSN-PKOBYXMFSA-N 1 3 362.514 3.006 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000048220861 493804248 /nfs/dbraw/zinc/80/42/48/493804248.db2.gz DQCZBAYSLYHRKZ-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000068527567 493834285 /nfs/dbraw/zinc/83/42/85/493834285.db2.gz FGLUVTZOKGDFDT-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc4ccccc43)CC2)CC1 ZINC000050801994 493935745 /nfs/dbraw/zinc/93/57/45/493935745.db2.gz XTIDDYGVGJUIHP-UHFFFAOYSA-N 1 3 365.521 3.057 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000069679079 493996335 /nfs/dbraw/zinc/99/63/35/493996335.db2.gz UTKKNVWQLJXDCN-HXUWFJFHSA-N 1 3 353.510 3.243 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203210 494032483 /nfs/dbraw/zinc/03/24/83/494032483.db2.gz VSQQVUVQWWPQQQ-MRXNPFEDSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203210 494032486 /nfs/dbraw/zinc/03/24/86/494032486.db2.gz VSQQVUVQWWPQQQ-MRXNPFEDSA-N 1 3 357.502 3.048 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000063407717 494051719 /nfs/dbraw/zinc/05/17/19/494051719.db2.gz LPSSWWKOFRGIMM-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N(C)C)cc1 ZINC000071922872 494108341 /nfs/dbraw/zinc/10/83/41/494108341.db2.gz YLXYIOURZSFBAM-NRFANRHFSA-N 1 3 374.573 3.463 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC000064237601 494108443 /nfs/dbraw/zinc/10/84/43/494108443.db2.gz BICFSEHGAXFWLR-HXUWFJFHSA-N 1 3 372.557 3.306 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147093 /nfs/dbraw/zinc/14/70/93/494147093.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147096 /nfs/dbraw/zinc/14/70/96/494147096.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc2ccccc21 ZINC000077754309 494168081 /nfs/dbraw/zinc/16/80/81/494168081.db2.gz IPZRICIQGATPKK-QGZVFWFLSA-N 1 3 356.514 3.036 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000065521971 494208741 /nfs/dbraw/zinc/20/87/41/494208741.db2.gz IWFIVOHKZYDBIO-NQIIRXRSSA-N 1 3 372.557 3.242 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000065876445 494250995 /nfs/dbraw/zinc/25/09/95/494250995.db2.gz YHOJEDBIGFIDNX-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698591 494263247 /nfs/dbraw/zinc/26/32/47/494263247.db2.gz YCGOATWCZPLERQ-NQIIRXRSSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089214716 494273884 /nfs/dbraw/zinc/27/38/84/494273884.db2.gz HLYWMWVLJGVMJE-CPJLOUKISA-N 1 3 357.523 3.386 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)CC(F)(F)F ZINC000568500755 505710674 /nfs/dbraw/zinc/71/06/74/505710674.db2.gz FBRGENLFYBRSHX-HNNXBMFYSA-N 1 3 364.839 3.455 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000066185520 494285826 /nfs/dbraw/zinc/28/58/26/494285826.db2.gz IGCFJKPFZCJTFH-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000073041492 494311018 /nfs/dbraw/zinc/31/10/18/494311018.db2.gz UFQDDRIIPYAAJG-OAQYLSRUSA-N 1 3 351.494 3.315 20 0 FGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000044533229 494363281 /nfs/dbraw/zinc/36/32/81/494363281.db2.gz OIWIAFUWDQAIGQ-OLZOCXBDSA-N 1 3 358.267 3.284 20 0 FGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533229 494363284 /nfs/dbraw/zinc/36/32/84/494363284.db2.gz OIWIAFUWDQAIGQ-OLZOCXBDSA-N 1 3 358.267 3.284 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000079310565 494435344 /nfs/dbraw/zinc/43/53/44/494435344.db2.gz HZSBYCNGVILVPC-NRFANRHFSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082448 494438319 /nfs/dbraw/zinc/43/83/19/494438319.db2.gz OCLJWGWWIXYNAJ-MFKMUULPSA-N 1 3 351.800 3.062 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082448 494438323 /nfs/dbraw/zinc/43/83/23/494438323.db2.gz OCLJWGWWIXYNAJ-MFKMUULPSA-N 1 3 351.800 3.062 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079394518 494446001 /nfs/dbraw/zinc/44/60/01/494446001.db2.gz GRZKXDYFAJXJTF-OALUTQOASA-N 1 3 374.573 3.306 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000045789883 494463164 /nfs/dbraw/zinc/46/31/64/494463164.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000045789883 494463167 /nfs/dbraw/zinc/46/31/67/494463167.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 1 3 360.546 3.058 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090523997 494478241 /nfs/dbraw/zinc/47/82/41/494478241.db2.gz YTMAKLPQQXFEJQ-RVHYNSKXSA-N 1 3 359.514 3.064 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524002 494478532 /nfs/dbraw/zinc/47/85/32/494478532.db2.gz YTMAKLPQQXFEJQ-LPTQZCDUSA-N 1 3 359.514 3.064 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000067381340 494527531 /nfs/dbraw/zinc/52/75/31/494527531.db2.gz NGPHRPWYOYRZSV-UHFFFAOYSA-N 1 3 362.562 3.399 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945229 494553979 /nfs/dbraw/zinc/55/39/79/494553979.db2.gz SNBDIYPDDBKEGH-RXVVDRJESA-N 1 3 357.542 3.276 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ncccc43)CC2)CC1 ZINC000571413856 505728648 /nfs/dbraw/zinc/72/86/48/505728648.db2.gz ATOQCAYZJIIFJM-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131341449 494589729 /nfs/dbraw/zinc/58/97/29/494589729.db2.gz OJQSVDSRHBVRRU-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000091375264 494590810 /nfs/dbraw/zinc/59/08/10/494590810.db2.gz LDIZBIBTGHJDJY-OAQYLSRUSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166303 494621140 /nfs/dbraw/zinc/62/11/40/494621140.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166303 494621150 /nfs/dbraw/zinc/62/11/50/494621150.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796601 494625061 /nfs/dbraw/zinc/62/50/61/494625061.db2.gz VYNCROKJFJGMBH-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796601 494625072 /nfs/dbraw/zinc/62/50/72/494625072.db2.gz VYNCROKJFJGMBH-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000092516829 494655077 /nfs/dbraw/zinc/65/50/77/494655077.db2.gz MXUJZMWJFBLDIJ-IBGZPJMESA-N 1 3 372.557 3.411 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303354 494676855 /nfs/dbraw/zinc/67/68/55/494676855.db2.gz LUNIVWKMECMFEE-UHFFFAOYSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000092587030 494677316 /nfs/dbraw/zinc/67/73/16/494677316.db2.gz SENHHSOEVHIBDA-KDURUIRLSA-N 1 3 368.525 3.194 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131670833 494693588 /nfs/dbraw/zinc/69/35/88/494693588.db2.gz WZOPTYBQLQQWKZ-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000577480960 505736259 /nfs/dbraw/zinc/73/62/59/505736259.db2.gz ANQIMOVNOOAHBK-MRXNPFEDSA-N 1 3 371.550 3.166 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000131692386 494700943 /nfs/dbraw/zinc/70/09/43/494700943.db2.gz PQVLONWXRRMEPZ-VXKWHMMOSA-N 1 3 365.521 3.404 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371558 494724916 /nfs/dbraw/zinc/72/49/16/494724916.db2.gz IYZXUQHPHAIWDV-LSDHHAIUSA-N 1 3 373.463 3.351 20 0 FGADHO C[N@@H+](CCC(=O)N1CCCCC1)CCC1CCN(c2ccncc2)CC1 ZINC000092821003 494763932 /nfs/dbraw/zinc/76/39/32/494763932.db2.gz XDFZZNLTINMGSZ-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO C[N@H+](CCC(=O)N1CCCCC1)CCC1CCN(c2ccncc2)CC1 ZINC000092821003 494763934 /nfs/dbraw/zinc/76/39/34/494763934.db2.gz XDFZZNLTINMGSZ-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435095 494786950 /nfs/dbraw/zinc/78/69/50/494786950.db2.gz AHSQFHHVUJLJDO-GHTZIAJQSA-N 1 3 372.557 3.386 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000047883508 494787820 /nfs/dbraw/zinc/78/78/20/494787820.db2.gz WQJUBHRAZLTLMO-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCCN1CCC([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000092165834 494802623 /nfs/dbraw/zinc/80/26/23/494802623.db2.gz UJOMICFGBSRRJW-UHFFFAOYSA-N 1 3 358.486 3.263 20 0 FGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000092165834 494802629 /nfs/dbraw/zinc/80/26/29/494802629.db2.gz UJOMICFGBSRRJW-UHFFFAOYSA-N 1 3 358.486 3.263 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533738 494810207 /nfs/dbraw/zinc/81/02/07/494810207.db2.gz ISOUQBWDUXSMDJ-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126733633 494828404 /nfs/dbraw/zinc/82/84/04/494828404.db2.gz NINIOWONQMADLR-SFHVURJKSA-N 1 3 353.510 3.293 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000577529616 505745950 /nfs/dbraw/zinc/74/59/50/505745950.db2.gz VVKKRZINDWQVQI-BWAGFHJFSA-N 1 3 365.521 3.316 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000577529616 505745953 /nfs/dbraw/zinc/74/59/53/505745953.db2.gz VVKKRZINDWQVQI-BWAGFHJFSA-N 1 3 365.521 3.316 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525614 494888294 /nfs/dbraw/zinc/88/82/94/494888294.db2.gz GDKDNAWUXJSUQF-QGZVFWFLSA-N 1 3 370.463 3.095 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000093769500 494918434 /nfs/dbraw/zinc/91/84/34/494918434.db2.gz UTMIYMWZLNZUMU-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000093769500 494918436 /nfs/dbraw/zinc/91/84/36/494918436.db2.gz UTMIYMWZLNZUMU-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000127517101 494955739 /nfs/dbraw/zinc/95/57/39/494955739.db2.gz PCEAUFQNPAFNNU-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO C[N@H+](Cc1ccccc1NC(=O)C[C@H]1CSCCN1)C1CCCCC1 ZINC000133354731 495004401 /nfs/dbraw/zinc/00/44/01/495004401.db2.gz ZPTZXGXVNIJFNJ-KRWDZBQOSA-N 1 3 361.555 3.485 20 0 FGADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CSCCN1)C1CCCCC1 ZINC000133354731 495004405 /nfs/dbraw/zinc/00/44/05/495004405.db2.gz ZPTZXGXVNIJFNJ-KRWDZBQOSA-N 1 3 361.555 3.485 20 0 FGADHO OCC[C@H]1CCCCN1Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000111240079 495052453 /nfs/dbraw/zinc/05/24/53/495052453.db2.gz VPKUJKDCPNBYPV-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCCN1Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000111240079 495052458 /nfs/dbraw/zinc/05/24/58/495052458.db2.gz VPKUJKDCPNBYPV-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)nc1 ZINC000133782453 495061639 /nfs/dbraw/zinc/06/16/39/495061639.db2.gz OIIBJIMURZXJTB-UHFFFAOYSA-N 1 3 352.526 3.390 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103092864 495192768 /nfs/dbraw/zinc/19/27/68/495192768.db2.gz TXJXJZQFQQDSCW-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103298851 495214847 /nfs/dbraw/zinc/21/48/47/495214847.db2.gz CPNIHCFSQQNTNR-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768165 505773803 /nfs/dbraw/zinc/77/38/03/505773803.db2.gz IFEIIXBLJKDOCJ-IAGOWNOFSA-N 1 3 367.331 3.357 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113591021 495318802 /nfs/dbraw/zinc/31/88/02/495318802.db2.gz YCXSWOXZFHDREJ-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CC(=O)Nc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000120183401 495322705 /nfs/dbraw/zinc/32/27/05/495322705.db2.gz RMWGPEZTGZQVSB-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)c2)CC1 ZINC000105241570 495348341 /nfs/dbraw/zinc/34/83/41/495348341.db2.gz RNXVJPZUKZLZGN-OAQYLSRUSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124927452 495365429 /nfs/dbraw/zinc/36/54/29/495365429.db2.gz UDRBQWHEMAQHLP-IBGZPJMESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000571630281 505777356 /nfs/dbraw/zinc/77/73/56/505777356.db2.gz KOEZXOJWDRMFSO-RBUKOAKNSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000571630281 505777359 /nfs/dbraw/zinc/77/73/59/505777359.db2.gz KOEZXOJWDRMFSO-RBUKOAKNSA-N 1 3 374.573 3.269 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000120423647 495373827 /nfs/dbraw/zinc/37/38/27/495373827.db2.gz QRPSWAXLUYWSMR-CYBMUJFWSA-N 1 3 355.910 3.243 20 0 FGADHO CCCN1CCC([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000125322679 495426074 /nfs/dbraw/zinc/42/60/74/495426074.db2.gz BMQUEJNUXWKGOY-UHFFFAOYSA-N 1 3 372.601 3.361 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000571657406 505785111 /nfs/dbraw/zinc/78/51/11/505785111.db2.gz LWYXBEULONCAIL-FVQBIDKESA-N 1 3 352.320 3.135 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000141766825 495509915 /nfs/dbraw/zinc/50/99/15/495509915.db2.gz CUVMNDYAPPNPCK-NRFANRHFSA-N 1 3 372.557 3.304 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000107327408 495525159 /nfs/dbraw/zinc/52/51/59/495525159.db2.gz ZEZWGCUJTRESST-SFHVURJKSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000176210966 495548559 /nfs/dbraw/zinc/54/85/59/495548559.db2.gz BQKWBNHHQPMSSM-UHOSZYNNSA-N 1 3 360.546 3.288 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)cc1 ZINC000574512179 505789258 /nfs/dbraw/zinc/78/92/58/505789258.db2.gz LVZZZBAOHFHEAU-GOSISDBHSA-N 1 3 352.906 3.076 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000154301751 495574089 /nfs/dbraw/zinc/57/40/89/495574089.db2.gz BMRQKCHHYXAOEX-HNNXBMFYSA-N 1 3 352.592 3.427 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000154350611 495589010 /nfs/dbraw/zinc/58/90/10/495589010.db2.gz OEXSBDCUBAIZAK-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO OC[C@@]1(CNC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000571693979 505792364 /nfs/dbraw/zinc/79/23/64/505792364.db2.gz FDOMTMJSHJVRRK-RPWUZVMVSA-N 1 3 364.533 3.449 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179581257 495648675 /nfs/dbraw/zinc/64/86/75/495648675.db2.gz IIAPHRFXRSLOIY-RTWAWAEBSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000173752435 495677316 /nfs/dbraw/zinc/67/73/16/495677316.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000173752435 495677321 /nfs/dbraw/zinc/67/73/21/495677321.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 1 3 360.546 3.151 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000150949828 495691441 /nfs/dbraw/zinc/69/14/41/495691441.db2.gz VNHMENJUIAVQGB-GOSISDBHSA-N 1 3 351.922 3.169 20 0 FGADHO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962671 495777169 /nfs/dbraw/zinc/77/71/69/495777169.db2.gz UTSMCAQSIYLEKD-LJQANCHMSA-N 1 3 374.573 3.015 20 0 FGADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000580637204 505803134 /nfs/dbraw/zinc/80/31/34/505803134.db2.gz YESJCLGWTIPQCB-UGKGYDQZSA-N 1 3 370.585 3.276 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167647 495889708 /nfs/dbraw/zinc/88/97/08/495889708.db2.gz HHEFVXZJJJAXOS-MJLAPFRSSA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N[C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167647 495889710 /nfs/dbraw/zinc/88/97/10/495889710.db2.gz HHEFVXZJJJAXOS-MJLAPFRSSA-N 1 3 362.521 3.446 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171575793 495932087 /nfs/dbraw/zinc/93/20/87/495932087.db2.gz JIEGNIDOWMDFSR-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1SC ZINC000174428379 495956095 /nfs/dbraw/zinc/95/60/95/495956095.db2.gz UVFHQPNJBDRDPP-INIZCTEOSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1SC ZINC000174428379 495956100 /nfs/dbraw/zinc/95/61/00/495956100.db2.gz UVFHQPNJBDRDPP-INIZCTEOSA-N 1 3 364.559 3.288 20 0 FGADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000155695810 496038310 /nfs/dbraw/zinc/03/83/10/496038310.db2.gz FZDVVUYULWVRPA-DOTOQJQBSA-N 1 3 355.473 3.355 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000571817302 505820398 /nfs/dbraw/zinc/82/03/98/505820398.db2.gz WRDWWHMSKVYYKA-WIYYLYMNSA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000571817302 505820400 /nfs/dbraw/zinc/82/04/00/505820400.db2.gz WRDWWHMSKVYYKA-WIYYLYMNSA-N 1 3 360.546 3.069 20 0 FGADHO COc1ccc(OC(F)F)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000171841443 496058828 /nfs/dbraw/zinc/05/88/28/496058828.db2.gz TVBBRUROPFLDOA-GJZGRUSLSA-N 1 3 372.456 3.276 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CNCc4ccccc43)cc21 ZINC000580717505 505822285 /nfs/dbraw/zinc/82/22/85/505822285.db2.gz GTYSQFSVXOPGJJ-FQEVSTJZSA-N 1 3 362.477 3.028 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710639 496089320 /nfs/dbraw/zinc/08/93/20/496089320.db2.gz LCUBXFOVZROSRL-PBHICJAKSA-N 1 3 370.335 3.071 20 0 FGADHO Cc1oc2ccccc2c1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000155966457 496119561 /nfs/dbraw/zinc/11/95/61/496119561.db2.gz KIMHOOIYSVEONQ-UHFFFAOYSA-N 1 3 365.477 3.322 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000156039986 496140376 /nfs/dbraw/zinc/14/03/76/496140376.db2.gz CBAKBNYPJVWICS-GOSISDBHSA-N 1 3 371.550 3.452 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000156039986 496140380 /nfs/dbraw/zinc/14/03/80/496140380.db2.gz CBAKBNYPJVWICS-GOSISDBHSA-N 1 3 371.550 3.452 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152451560 496156903 /nfs/dbraw/zinc/15/69/03/496156903.db2.gz NJKHWAPGWNLBPR-HZPDHXFCSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152451560 496156905 /nfs/dbraw/zinc/15/69/05/496156905.db2.gz NJKHWAPGWNLBPR-HZPDHXFCSA-N 1 3 363.933 3.151 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000574682742 505830843 /nfs/dbraw/zinc/83/08/43/505830843.db2.gz UJNPZESADUYDDH-UHFFFAOYSA-N 1 3 350.506 3.148 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768828 505834219 /nfs/dbraw/zinc/83/42/19/505834219.db2.gz ABZZQTWWBKRDOT-UWVAXJGDSA-N 1 3 360.523 3.161 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768828 505834221 /nfs/dbraw/zinc/83/42/21/505834221.db2.gz ABZZQTWWBKRDOT-UWVAXJGDSA-N 1 3 360.523 3.161 20 0 FGADHO CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000184234413 496298665 /nfs/dbraw/zinc/29/86/65/496298665.db2.gz AMWRNLHPVJUVSY-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000172501499 496319528 /nfs/dbraw/zinc/31/95/28/496319528.db2.gz SHWBSCYKOBFGLQ-GOSISDBHSA-N 1 3 374.529 3.028 20 0 FGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccncc3OCCN(C)C)CC2)C1 ZINC000571886425 505838269 /nfs/dbraw/zinc/83/82/69/505838269.db2.gz UHTZETYFDFNDHR-GHTZIAJQSA-N 1 3 374.573 3.155 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218925 496483608 /nfs/dbraw/zinc/48/36/08/496483608.db2.gz YBIPIFXPPOPZTN-FXAWDEMLSA-N 1 3 356.514 3.229 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218925 496483612 /nfs/dbraw/zinc/48/36/12/496483612.db2.gz YBIPIFXPPOPZTN-FXAWDEMLSA-N 1 3 356.514 3.229 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634266 496521103 /nfs/dbraw/zinc/52/11/03/496521103.db2.gz JTTNMAQZZZKFDI-KRWDZBQOSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634266 496521108 /nfs/dbraw/zinc/52/11/08/496521108.db2.gz JTTNMAQZZZKFDI-KRWDZBQOSA-N 1 3 364.559 3.288 20 0 FGADHO C[C@@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153670913 496538951 /nfs/dbraw/zinc/53/89/51/496538951.db2.gz PPGSNPWODNXXJJ-KSZLIROESA-N 1 3 358.530 3.018 20 0 FGADHO C[C@@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153670913 496538954 /nfs/dbraw/zinc/53/89/54/496538954.db2.gz PPGSNPWODNXXJJ-KSZLIROESA-N 1 3 358.530 3.018 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157797913 496557126 /nfs/dbraw/zinc/55/71/26/496557126.db2.gz NPGVPYYGMIQGRM-QGZVFWFLSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157797913 496557134 /nfs/dbraw/zinc/55/71/34/496557134.db2.gz NPGVPYYGMIQGRM-QGZVFWFLSA-N 1 3 364.559 3.288 20 0 FGADHO O=C1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000181819847 496559541 /nfs/dbraw/zinc/55/95/41/496559541.db2.gz JIKXQZBLQINYMU-HXUWFJFHSA-N 1 3 369.553 3.422 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000163930226 496572057 /nfs/dbraw/zinc/57/20/57/496572057.db2.gz SDTNHCVYSHHKKI-SFHVURJKSA-N 1 3 358.555 3.392 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@H](C)O1 ZINC000178894974 496608092 /nfs/dbraw/zinc/60/80/92/496608092.db2.gz LNRKGHJMHOYUDZ-GJZGRUSLSA-N 1 3 364.921 3.206 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1CC1CC[NH2+]CC1 ZINC000178958893 496629927 /nfs/dbraw/zinc/62/99/27/496629927.db2.gz HBXBQMUIFYJOPZ-INIZCTEOSA-N 1 3 356.297 3.396 20 0 FGADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164760367 496630672 /nfs/dbraw/zinc/63/06/72/496630672.db2.gz LLEBMYKVNJWHBN-KRWDZBQOSA-N 1 3 366.347 3.490 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccccc1 ZINC000179015308 496645984 /nfs/dbraw/zinc/64/59/84/496645984.db2.gz DPEFMSKINHCSCZ-UXHICEINSA-N 1 3 352.482 3.315 20 0 FGADHO CN(C)C(=O)c1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000165082982 496647534 /nfs/dbraw/zinc/64/75/34/496647534.db2.gz HHTJAFMCLIGFJV-UHFFFAOYSA-N 1 3 357.542 3.318 20 0 FGADHO CN(C)C(=O)c1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000165082982 496647537 /nfs/dbraw/zinc/64/75/37/496647537.db2.gz HHTJAFMCLIGFJV-UHFFFAOYSA-N 1 3 357.542 3.318 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)ccc1F ZINC000154031300 496660265 /nfs/dbraw/zinc/66/02/65/496660265.db2.gz LHFVGMGTLUHIGX-QGZVFWFLSA-N 1 3 363.521 3.435 20 0 FGADHO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000165591123 496662275 /nfs/dbraw/zinc/66/22/75/496662275.db2.gz JZTVTCSIHCDZIN-KRWDZBQOSA-N 1 3 369.509 3.479 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185125427 496671372 /nfs/dbraw/zinc/67/13/72/496671372.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185125427 496671381 /nfs/dbraw/zinc/67/13/81/496671381.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166241798 496681642 /nfs/dbraw/zinc/68/16/42/496681642.db2.gz XLLXRDNTUUNDKW-WBVHZDCISA-N 1 3 371.447 3.204 20 0 FGADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384782 496689444 /nfs/dbraw/zinc/68/94/44/496689444.db2.gz IDSAZKOSYNCCJJ-GDBMZVCRSA-N 1 3 367.921 3.306 20 0 FGADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384782 496689450 /nfs/dbraw/zinc/68/94/50/496689450.db2.gz IDSAZKOSYNCCJJ-GDBMZVCRSA-N 1 3 367.921 3.306 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000158388704 496691163 /nfs/dbraw/zinc/69/11/63/496691163.db2.gz JIMHTPSFMVLGGK-DZKIICNBSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388704 496691168 /nfs/dbraw/zinc/69/11/68/496691168.db2.gz JIMHTPSFMVLGGK-DZKIICNBSA-N 1 3 367.921 3.304 20 0 FGADHO CN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158132 496696923 /nfs/dbraw/zinc/69/69/23/496696923.db2.gz PDFBQKLNRGBOAU-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000176146991 496702583 /nfs/dbraw/zinc/70/25/83/496702583.db2.gz GEIUUVDBERZQJR-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000176146991 496702589 /nfs/dbraw/zinc/70/25/89/496702589.db2.gz GEIUUVDBERZQJR-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000580900314 505864273 /nfs/dbraw/zinc/86/42/73/505864273.db2.gz NPJZQGLFINVYPN-QGZVFWFLSA-N 1 3 351.494 3.143 20 0 FGADHO C[NH+](C)CCCN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191485410 496780154 /nfs/dbraw/zinc/78/01/54/496780154.db2.gz VFQZJKRDLXEQGW-KRWDZBQOSA-N 1 3 355.320 3.458 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000247109395 496781315 /nfs/dbraw/zinc/78/13/15/496781315.db2.gz WNSHKCDMMBVIEV-IRXDYDNUSA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000247109395 496781317 /nfs/dbraw/zinc/78/13/17/496781317.db2.gz WNSHKCDMMBVIEV-IRXDYDNUSA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000247109395 496781318 /nfs/dbraw/zinc/78/13/18/496781318.db2.gz WNSHKCDMMBVIEV-IRXDYDNUSA-N 1 3 368.447 3.286 20 0 FGADHO OCC1(C[N@@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)COC1 ZINC000572000716 505866463 /nfs/dbraw/zinc/86/64/63/505866463.db2.gz GOKLFDOGEVFMQE-QFIPXVFZSA-N 1 3 372.553 3.152 20 0 FGADHO OCC1(C[N@H+]2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)COC1 ZINC000572000716 505866466 /nfs/dbraw/zinc/86/64/66/505866466.db2.gz GOKLFDOGEVFMQE-QFIPXVFZSA-N 1 3 372.553 3.152 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1OCC ZINC000268840512 496800139 /nfs/dbraw/zinc/80/01/39/496800139.db2.gz UDTCAOQQTLMADV-SFHVURJKSA-N 1 3 363.546 3.162 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183458 496801036 /nfs/dbraw/zinc/80/10/36/496801036.db2.gz VITAXXJTAYUQAW-FFZOFVMBSA-N 1 3 365.949 3.033 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000191533649 496801263 /nfs/dbraw/zinc/80/12/63/496801263.db2.gz IXGZSPXXWJYGTR-QHCPKHFHSA-N 1 3 373.585 3.165 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000191533649 496801268 /nfs/dbraw/zinc/80/12/68/496801268.db2.gz IXGZSPXXWJYGTR-QHCPKHFHSA-N 1 3 373.585 3.165 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268933229 496827430 /nfs/dbraw/zinc/82/74/30/496827430.db2.gz RDBNNUFLIJGTLU-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000268988774 496843837 /nfs/dbraw/zinc/84/38/37/496843837.db2.gz LWZDRVZLCLLJAQ-RXVVDRJESA-N 1 3 356.510 3.444 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000195318490 496886683 /nfs/dbraw/zinc/88/66/83/496886683.db2.gz YDZJHCMCZRCEFW-NRFANRHFSA-N 1 3 373.541 3.069 20 0 FGADHO CCOc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)ccc1O ZINC000264402827 496893412 /nfs/dbraw/zinc/89/34/12/496893412.db2.gz WGSOLURLVLAPNX-UHFFFAOYSA-N 1 3 358.482 3.411 20 0 FGADHO C[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@@H](N)c1ccccc1 ZINC000269309326 496916129 /nfs/dbraw/zinc/91/61/29/496916129.db2.gz VPHVIFUWSDJPDI-LAUBAEHRSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@@H](N)c1ccccc1 ZINC000269309326 496916133 /nfs/dbraw/zinc/91/61/33/496916133.db2.gz VPHVIFUWSDJPDI-LAUBAEHRSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C1CC1 ZINC000247977930 496937538 /nfs/dbraw/zinc/93/75/38/496937538.db2.gz LQUVSDMJUJFQJH-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C1CC1 ZINC000247977930 496937540 /nfs/dbraw/zinc/93/75/40/496937540.db2.gz LQUVSDMJUJFQJH-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO C[NH+](C)CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000264794592 496986298 /nfs/dbraw/zinc/98/62/98/496986298.db2.gz YBENDQPTXAZFIJ-UHFFFAOYSA-N 1 3 351.292 3.271 20 0 FGADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248397631 496993725 /nfs/dbraw/zinc/99/37/25/496993725.db2.gz IFWTZSLJNIIYLZ-YPAWHYETSA-N 1 3 352.526 3.243 20 0 FGADHO CS[C@@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@@H](SC)C3)COC2)C1 ZINC000248408293 496999592 /nfs/dbraw/zinc/99/95/92/496999592.db2.gz CAIDHYHLEMBAEU-QZTJIDSGSA-N 1 3 372.644 3.438 20 0 FGADHO CS[C@@H]1CCCCN(CC2(C[N@H+]3CCCC[C@@H](SC)C3)COC2)C1 ZINC000248408293 496999598 /nfs/dbraw/zinc/99/95/98/496999598.db2.gz CAIDHYHLEMBAEU-QZTJIDSGSA-N 1 3 372.644 3.438 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000248409294 497001358 /nfs/dbraw/zinc/00/13/58/497001358.db2.gz WMLGQKNWNRYRHO-MDNUFGMLSA-N 1 3 372.553 3.462 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435585 497010792 /nfs/dbraw/zinc/01/07/92/497010792.db2.gz FQTSRNKBWJZBKU-OXQOHEQNSA-N 1 3 370.493 3.121 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435585 497010794 /nfs/dbraw/zinc/01/07/94/497010794.db2.gz FQTSRNKBWJZBKU-OXQOHEQNSA-N 1 3 370.493 3.121 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248838587 497115045 /nfs/dbraw/zinc/11/50/45/497115045.db2.gz ORFRPZRAZDJICU-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248838587 497115047 /nfs/dbraw/zinc/11/50/47/497115047.db2.gz ORFRPZRAZDJICU-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248838587 497115050 /nfs/dbraw/zinc/11/50/50/497115050.db2.gz ORFRPZRAZDJICU-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477402 497128047 /nfs/dbraw/zinc/12/80/47/497128047.db2.gz AQOAAQSDMCKFLK-IYBDPMFKSA-N 1 3 361.555 3.448 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477402 497128053 /nfs/dbraw/zinc/12/80/53/497128053.db2.gz AQOAAQSDMCKFLK-IYBDPMFKSA-N 1 3 361.555 3.448 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236728112 497138237 /nfs/dbraw/zinc/13/82/37/497138237.db2.gz PTOIHTSQYYPNOL-SJORKVTESA-N 1 3 361.555 3.027 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274866804 497186629 /nfs/dbraw/zinc/18/66/29/497186629.db2.gz DZQRWJGZMZKCRB-SESVDKBCSA-N 1 3 350.510 3.161 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866804 497186633 /nfs/dbraw/zinc/18/66/33/497186633.db2.gz DZQRWJGZMZKCRB-SESVDKBCSA-N 1 3 350.510 3.161 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237150544 497198248 /nfs/dbraw/zinc/19/82/48/497198248.db2.gz HCGYOFSBHPWCMU-GOSISDBHSA-N 1 3 355.457 3.396 20 0 FGADHO COc1cc(CNCC2(SC)CC[NH+](C)CC2)c(SC)cc1OC ZINC000572109476 505892014 /nfs/dbraw/zinc/89/20/14/505892014.db2.gz QCKJYXXISZNTLF-UHFFFAOYSA-N 1 3 370.584 3.343 20 0 FGADHO COc1cc(C[NH2+]CC2(SC)CCN(C)CC2)c(SC)cc1OC ZINC000572109476 505892016 /nfs/dbraw/zinc/89/20/16/505892016.db2.gz QCKJYXXISZNTLF-UHFFFAOYSA-N 1 3 370.584 3.343 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399035 497230717 /nfs/dbraw/zinc/23/07/17/497230717.db2.gz TTWCDKHHJYCGTR-VLCRHTCISA-N 1 3 365.521 3.446 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237473159 497241876 /nfs/dbraw/zinc/24/18/76/497241876.db2.gz VUBOBVSHXPLKPJ-CQSZACIVSA-N 1 3 367.921 3.245 20 0 FGADHO C[C@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237506043 497247474 /nfs/dbraw/zinc/24/74/74/497247474.db2.gz XPBXUUQBPPNRIB-DXIQSLLYSA-N 1 3 371.569 3.381 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000189948763 497303289 /nfs/dbraw/zinc/30/32/89/497303289.db2.gz CFVPSUGJPMOERF-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO [NH3+][C@@H](CCC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000237923598 497315083 /nfs/dbraw/zinc/31/50/83/497315083.db2.gz AEZJWECESIUDIR-NRFANRHFSA-N 1 3 351.494 3.201 20 0 FGADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)cc1 ZINC000252656729 497315422 /nfs/dbraw/zinc/31/54/22/497315422.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 1 3 358.530 3.313 20 0 FGADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)cc1 ZINC000252656729 497315425 /nfs/dbraw/zinc/31/54/25/497315425.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 1 3 358.530 3.313 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237939754 497317398 /nfs/dbraw/zinc/31/73/98/497317398.db2.gz OIBKEOMRGJSEPK-ROUUACIJSA-N 1 3 357.523 3.481 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928584 497477391 /nfs/dbraw/zinc/47/73/91/497477391.db2.gz SLJXGHOEALIYDJ-LALPHHSUSA-N 1 3 356.297 3.381 20 0 FGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000245641898 497484228 /nfs/dbraw/zinc/48/42/28/497484228.db2.gz XTSJLGMJHIWRGA-CIAFKFPVSA-N 1 3 354.538 3.488 20 0 FGADHO CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261987057 497487491 /nfs/dbraw/zinc/48/74/91/497487491.db2.gz XMFMUNOFAGGYKW-RLLQIKCJSA-N 1 3 355.526 3.060 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498222 /nfs/dbraw/zinc/49/82/22/497498222.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498225 /nfs/dbraw/zinc/49/82/25/497498225.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 1 3 372.557 3.243 20 0 FGADHO CN1CCC(C[NH2+]CCSCc2ccccc2)(N2CCCCC2)CC1 ZINC000193910633 497517491 /nfs/dbraw/zinc/51/74/91/497517491.db2.gz JESXPYOVCHRXGM-UHFFFAOYSA-N 1 3 361.599 3.460 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231825 497527161 /nfs/dbraw/zinc/52/71/61/497527161.db2.gz GXECRVLYAWGMDS-OYXUHDIQSA-N 1 3 369.553 3.167 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193973453 497537418 /nfs/dbraw/zinc/53/74/18/497537418.db2.gz QBOFDIVKRJFPBJ-GOSISDBHSA-N 1 3 366.347 3.052 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958918 497584198 /nfs/dbraw/zinc/58/41/98/497584198.db2.gz CKOJVFYYOMUIFO-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958918 497584202 /nfs/dbraw/zinc/58/42/02/497584202.db2.gz CKOJVFYYOMUIFO-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629323 497587378 /nfs/dbraw/zinc/58/73/78/497587378.db2.gz DCQDQLZVUXCWFC-XCSKNGGISA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262631497 497587961 /nfs/dbraw/zinc/58/79/61/497587961.db2.gz FLCPAVBBKZZZER-KXEVLKFVSA-N 1 3 355.526 3.076 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246132489 497632352 /nfs/dbraw/zinc/63/23/52/497632352.db2.gz BBGRFBMUOVIIMV-OPYAIIAOSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132489 497632356 /nfs/dbraw/zinc/63/23/56/497632356.db2.gz BBGRFBMUOVIIMV-OPYAIIAOSA-N 1 3 372.557 3.194 20 0 FGADHO CN(C)[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000272467438 497636902 /nfs/dbraw/zinc/63/69/02/497636902.db2.gz ZUVIUEGWZWIPTE-WOZUAGRISA-N 1 3 359.583 3.209 20 0 FGADHO CCC(CC)(CNC(=O)[C@H](N)CCSC)[NH2+][C@@H](C)c1ccccc1 ZINC000272470842 497638359 /nfs/dbraw/zinc/63/83/59/497638359.db2.gz QDVBVGQAMWDECO-DOTOQJQBSA-N 1 3 351.560 3.093 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000246170291 497646434 /nfs/dbraw/zinc/64/64/34/497646434.db2.gz LFTWXNQNACBLTM-PZJWPPBQSA-N 1 3 374.573 3.225 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000246170291 497646442 /nfs/dbraw/zinc/64/64/42/497646442.db2.gz LFTWXNQNACBLTM-PZJWPPBQSA-N 1 3 374.573 3.225 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659404 /nfs/dbraw/zinc/65/94/04/497659404.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659410 /nfs/dbraw/zinc/65/94/10/497659410.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659413 /nfs/dbraw/zinc/65/94/13/497659413.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659417 /nfs/dbraw/zinc/65/94/17/497659417.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 1 3 356.432 3.025 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272586053 497670570 /nfs/dbraw/zinc/67/05/70/497670570.db2.gz WSBJXCRWSOTLPH-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246322652 497695712 /nfs/dbraw/zinc/69/57/12/497695712.db2.gz FNMUMJZCLYIMFE-BPQIPLTHSA-N 1 3 363.571 3.440 20 0 FGADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347873 497703932 /nfs/dbraw/zinc/70/39/32/497703932.db2.gz OWKCAFFNQPLXPC-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000246413018 497725567 /nfs/dbraw/zinc/72/55/67/497725567.db2.gz MOFQJSMYYSWTFK-PCCBWWKXSA-N 1 3 360.567 3.375 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000194657257 497732042 /nfs/dbraw/zinc/73/20/42/497732042.db2.gz FRAPSZKJPQGFNZ-UHFFFAOYSA-N 1 3 365.905 3.093 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775737 /nfs/dbraw/zinc/77/57/37/497775737.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775742 /nfs/dbraw/zinc/77/57/42/497775742.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775870 /nfs/dbraw/zinc/77/58/70/497775870.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775874 /nfs/dbraw/zinc/77/58/74/497775874.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 1 3 372.557 3.021 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246586028 497782712 /nfs/dbraw/zinc/78/27/12/497782712.db2.gz ZYSHLCVPDLNINK-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246586028 497782717 /nfs/dbraw/zinc/78/27/17/497782717.db2.gz ZYSHLCVPDLNINK-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)CC1 ZINC000572376952 505954059 /nfs/dbraw/zinc/95/40/59/505954059.db2.gz YUIUALRVPBEEBE-UHFFFAOYSA-N 1 3 372.538 3.431 20 0 FGADHO Cc1noc(C2CCC([NH2+]CCc3ccc(OCCN(C)C)cc3)CC2)n1 ZINC000292319842 497968817 /nfs/dbraw/zinc/96/88/17/497968817.db2.gz WPAJMJBTLLODSL-UHFFFAOYSA-N 1 3 372.513 3.177 20 0 FGADHO C[C@@H]1CN(CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@@H](C)O1 ZINC000575319209 505960348 /nfs/dbraw/zinc/96/03/48/505960348.db2.gz MAXGZFSQNAWQEM-QWFCFKBJSA-N 1 3 367.578 3.070 20 0 FGADHO C[C@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000292411580 498005937 /nfs/dbraw/zinc/00/59/37/498005937.db2.gz UPWZGKIQBIRPBE-NRFANRHFSA-N 1 3 370.585 3.005 20 0 FGADHO C[C@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000292411580 498005939 /nfs/dbraw/zinc/00/59/39/498005939.db2.gz UPWZGKIQBIRPBE-NRFANRHFSA-N 1 3 370.585 3.005 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633189 505985231 /nfs/dbraw/zinc/98/52/31/505985231.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633189 505985232 /nfs/dbraw/zinc/98/52/32/505985232.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634071 505986240 /nfs/dbraw/zinc/98/62/40/505986240.db2.gz JNBCVCFRRIDFKY-SOLBZPMBSA-N 1 3 363.571 3.210 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634071 505986245 /nfs/dbraw/zinc/98/62/45/505986245.db2.gz JNBCVCFRRIDFKY-SOLBZPMBSA-N 1 3 363.571 3.210 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484135 505998743 /nfs/dbraw/zinc/99/87/43/505998743.db2.gz VFTTXXHOMKPAMC-KFWWJZLASA-N 1 3 361.313 3.196 20 0 FGADHO c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642859 498292598 /nfs/dbraw/zinc/29/25/98/498292598.db2.gz RDEKHFLLLKBTHE-ANULTFPQSA-N 1 3 350.510 3.261 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248435 498321201 /nfs/dbraw/zinc/32/12/01/498321201.db2.gz BLIHVSUSWYHTDJ-OXJNMPFZSA-N 1 3 360.498 3.015 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200890 498322305 /nfs/dbraw/zinc/32/23/05/498322305.db2.gz XYFASAARHMUKSC-QHCPKHFHSA-N 1 3 371.569 3.085 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200890 498322298 /nfs/dbraw/zinc/32/22/98/498322298.db2.gz XYFASAARHMUKSC-QHCPKHFHSA-N 1 3 371.569 3.085 20 0 FGADHO CC(C)Oc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000297353766 498417268 /nfs/dbraw/zinc/41/72/68/498417268.db2.gz QKRCNVJNMDHWRI-UHFFFAOYSA-N 1 3 374.529 3.154 20 0 FGADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000290192137 498458957 /nfs/dbraw/zinc/45/89/57/498458957.db2.gz FZKXOLVUANPPJE-YLJYHZDGSA-N 1 3 370.468 3.178 20 0 FGADHO COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000290192137 498458963 /nfs/dbraw/zinc/45/89/63/498458963.db2.gz FZKXOLVUANPPJE-YLJYHZDGSA-N 1 3 370.468 3.178 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000290319511 498507695 /nfs/dbraw/zinc/50/76/95/498507695.db2.gz OEGRYGCXZONRGT-GBESFXJTSA-N 1 3 362.489 3.179 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888232 506045578 /nfs/dbraw/zinc/04/55/78/506045578.db2.gz XEYDOLLIFXYKBV-JKIFEVAISA-N 1 3 354.926 3.148 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000575993922 506051505 /nfs/dbraw/zinc/05/15/05/506051505.db2.gz SFNYLRXAIRXTFE-QGZVFWFLSA-N 1 3 364.493 3.150 20 0 FGADHO O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290433229 498550028 /nfs/dbraw/zinc/55/00/28/498550028.db2.gz VFRXEKKSYGBZRD-OJKUXAQWSA-N 1 3 364.489 3.266 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000365709728 498608491 /nfs/dbraw/zinc/60/84/91/498608491.db2.gz FLLRHUXDRSZUIK-RZMNMVRNSA-N 1 3 364.578 3.154 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127992 498649560 /nfs/dbraw/zinc/64/95/60/498649560.db2.gz OPFBZTYZEFLLIO-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127992 498649567 /nfs/dbraw/zinc/64/95/67/498649567.db2.gz OPFBZTYZEFLLIO-SFHVURJKSA-N 1 3 370.541 3.273 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303461429 498676553 /nfs/dbraw/zinc/67/65/53/498676553.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303461429 498676559 /nfs/dbraw/zinc/67/65/59/498676559.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303461419 498676722 /nfs/dbraw/zinc/67/67/22/498676722.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303461419 498676724 /nfs/dbraw/zinc/67/67/24/498676724.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 1 3 374.573 3.317 20 0 FGADHO CCn1ccnc1[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000298151726 498678611 /nfs/dbraw/zinc/67/86/11/498678611.db2.gz RQZWQJCVODOYQS-HXUWFJFHSA-N 1 3 369.513 3.024 20 0 FGADHO C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303503190 498683467 /nfs/dbraw/zinc/68/34/67/498683467.db2.gz VJTWWJKDKCWUQV-AQNXPRMDSA-N 1 3 374.573 3.174 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000287237548 498683822 /nfs/dbraw/zinc/68/38/22/498683822.db2.gz SOULZBSCPYFFGN-JGUMPVPUSA-N 1 3 372.557 3.118 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000287237548 498683829 /nfs/dbraw/zinc/68/38/29/498683829.db2.gz SOULZBSCPYFFGN-JGUMPVPUSA-N 1 3 372.557 3.118 20 0 FGADHO C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000303517342 498685558 /nfs/dbraw/zinc/68/55/58/498685558.db2.gz YHEKQZDLFMMVSL-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO c1ccc2c(c1)CCN(CCC[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000298220197 498698835 /nfs/dbraw/zinc/69/88/35/498698835.db2.gz AGUFZZABMNQEKW-UHFFFAOYSA-N 1 3 350.510 3.088 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298223320 498700355 /nfs/dbraw/zinc/70/03/55/498700355.db2.gz AOVLHQMHCYDZIQ-GOSISDBHSA-N 1 3 366.509 3.175 20 0 FGADHO CC(C)C[N@@H+]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000363402255 498801734 /nfs/dbraw/zinc/80/17/34/498801734.db2.gz HWDTZPSYMDNLCP-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CC(C)C[N@H+]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000363402255 498801739 /nfs/dbraw/zinc/80/17/39/498801739.db2.gz HWDTZPSYMDNLCP-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366259251 498845918 /nfs/dbraw/zinc/84/59/18/498845918.db2.gz NGQNIAOAVVXTJH-ATZDWAIDSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259251 498845924 /nfs/dbraw/zinc/84/59/24/498845924.db2.gz NGQNIAOAVVXTJH-ATZDWAIDSA-N 1 3 363.933 3.293 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000366260547 498847171 /nfs/dbraw/zinc/84/71/71/498847171.db2.gz RXYGZOYFNZZZPH-IAGOWNOFSA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366260547 498847173 /nfs/dbraw/zinc/84/71/73/498847173.db2.gz RXYGZOYFNZZZPH-IAGOWNOFSA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000366260547 498847178 /nfs/dbraw/zinc/84/71/78/498847178.db2.gz RXYGZOYFNZZZPH-IAGOWNOFSA-N 1 3 361.917 3.161 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186955 506113043 /nfs/dbraw/zinc/11/30/43/506113043.db2.gz SIPAETYRUJBBDL-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684088 498944013 /nfs/dbraw/zinc/94/40/13/498944013.db2.gz WIRXQHDPCNLLLI-QGZVFWFLSA-N 1 3 355.486 3.185 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288164808 498959007 /nfs/dbraw/zinc/95/90/07/498959007.db2.gz OUBCPAUJMVPIES-SQGPQFPESA-N 1 3 360.546 3.050 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000576289730 506122629 /nfs/dbraw/zinc/12/26/29/506122629.db2.gz NJPXOMVHZRFZIW-LJQANCHMSA-N 1 3 371.569 3.493 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283792 498985269 /nfs/dbraw/zinc/98/52/69/498985269.db2.gz XDTUWOPPERVCFD-UEXGIBASSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccc2ncc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)n2c1 ZINC000284013224 499030935 /nfs/dbraw/zinc/03/09/35/499030935.db2.gz NDWPTOBKVZNVRH-UHFFFAOYSA-N 1 3 364.493 3.406 20 0 FGADHO C[NH+]1CCC(Oc2ccc(CNCc3cccc4nccn43)cc2)CC1 ZINC000284024447 499033158 /nfs/dbraw/zinc/03/31/58/499033158.db2.gz NVHLYKRFHDEQBN-UHFFFAOYSA-N 1 3 350.466 3.097 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092157 499046807 /nfs/dbraw/zinc/04/68/07/499046807.db2.gz MARFVNBHECRQIK-HSZRJFAPSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367029919 499136181 /nfs/dbraw/zinc/13/61/81/499136181.db2.gz OGTWCDWEFHIRTM-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367029919 499136182 /nfs/dbraw/zinc/13/61/82/499136182.db2.gz OGTWCDWEFHIRTM-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1CN(CCSc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367029919 499136184 /nfs/dbraw/zinc/13/61/84/499136184.db2.gz OGTWCDWEFHIRTM-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000576333360 506133054 /nfs/dbraw/zinc/13/30/54/506133054.db2.gz CWVWUBUZSXIUOR-UWJYYQICSA-N 1 3 368.525 3.239 20 0 FGADHO c1ccc(C[NH+]2CCC3(CCO3)CC2)c(CN2CCC3(CCO3)CC2)c1 ZINC000367244763 499167185 /nfs/dbraw/zinc/16/71/85/499167185.db2.gz SFGFTQPIZSGZKT-UHFFFAOYSA-N 1 3 356.510 3.196 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370161829 499190497 /nfs/dbraw/zinc/19/04/97/499190497.db2.gz MHGXNRGRJWGNLU-GOSISDBHSA-N 1 3 373.541 3.357 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370161829 499190499 /nfs/dbraw/zinc/19/04/99/499190499.db2.gz MHGXNRGRJWGNLU-GOSISDBHSA-N 1 3 373.541 3.357 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCN(C3CCOCC3)CC2)o1 ZINC000367428298 499197781 /nfs/dbraw/zinc/19/77/81/499197781.db2.gz GZJCEYRVMDDHSU-UHFFFAOYSA-N 1 3 358.486 3.053 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCN(C3CCOCC3)CC2)o1 ZINC000367428298 499197783 /nfs/dbraw/zinc/19/77/83/499197783.db2.gz GZJCEYRVMDDHSU-UHFFFAOYSA-N 1 3 358.486 3.053 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763380 499252386 /nfs/dbraw/zinc/25/23/86/499252386.db2.gz KANMKXICPVYXIT-KCZVDYSFSA-N 1 3 355.526 3.019 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100536 499264426 /nfs/dbraw/zinc/26/44/26/499264426.db2.gz HTOVSMOKMIGGOL-MAUKXSAKSA-N 1 3 356.514 3.468 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424831 499294765 /nfs/dbraw/zinc/29/47/65/499294765.db2.gz ALLAMIWCNAYNIV-UWJYYQICSA-N 1 3 361.505 3.329 20 0 FGADHO CN(Cc1csc(-c2ccco2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304139 499307756 /nfs/dbraw/zinc/30/77/56/499307756.db2.gz HIEXXXXHWASZPX-KRWDZBQOSA-N 1 3 360.527 3.003 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304252 499308027 /nfs/dbraw/zinc/30/80/27/499308027.db2.gz SDTMHZXYOTUJSG-VGSWGCGISA-N 1 3 352.526 3.001 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1=CCN(C)CC1 ZINC000371589706 499345048 /nfs/dbraw/zinc/34/50/48/499345048.db2.gz VCRXYXKOFOINAZ-QZTJIDSGSA-N 1 3 370.541 3.162 20 0 FGADHO C[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CCN(C)CC1 ZINC000375217648 499496482 /nfs/dbraw/zinc/49/64/82/499496482.db2.gz ILNIFHZJYMFFKQ-GTPINHCMSA-N 1 3 361.496 3.455 20 0 FGADHO C[C@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CCN(C)CC1 ZINC000375217648 499496483 /nfs/dbraw/zinc/49/64/83/499496483.db2.gz ILNIFHZJYMFFKQ-GTPINHCMSA-N 1 3 361.496 3.455 20 0 FGADHO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000378440854 499516896 /nfs/dbraw/zinc/51/68/96/499516896.db2.gz CWGYCRREDZLTQM-PKOBYXMFSA-N 1 3 366.509 3.084 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000375425891 499517668 /nfs/dbraw/zinc/51/76/68/499517668.db2.gz LLRVYUCZNXHTEJ-HXUWFJFHSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000375425891 499517670 /nfs/dbraw/zinc/51/76/70/499517670.db2.gz LLRVYUCZNXHTEJ-HXUWFJFHSA-N 1 3 365.521 3.043 20 0 FGADHO CCOC1CC2(C1)CCN(C/C=C/C[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738499 499550391 /nfs/dbraw/zinc/55/03/91/499550391.db2.gz OTPDASIIVJVSES-AATRIKPKSA-N 1 3 362.558 3.325 20 0 FGADHO CCOC1CC2(C1)CCN(C/C=C/C[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738499 499550392 /nfs/dbraw/zinc/55/03/92/499550392.db2.gz OTPDASIIVJVSES-AATRIKPKSA-N 1 3 362.558 3.325 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000389105749 499552220 /nfs/dbraw/zinc/55/22/20/499552220.db2.gz PBMVOCMEGIYPLU-YLJYHZDGSA-N 1 3 352.478 3.458 20 0 FGADHO C[NH+](C)CCCCNCc1cc(Cl)ccc1I ZINC000390253176 499554200 /nfs/dbraw/zinc/55/42/00/499554200.db2.gz FPUBHDSDTCDCNG-UHFFFAOYSA-N 1 3 366.674 3.376 20 0 FGADHO OC1(C[NH2+][C@H]2CCc3ccccc3C2)CCN(Cc2ccccc2)CC1 ZINC000397495310 499564130 /nfs/dbraw/zinc/56/41/30/499564130.db2.gz PQXBKERCVOIRPZ-QFIPXVFZSA-N 1 3 350.506 3.161 20 0 FGADHO Cc1nccn1CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596469 /nfs/dbraw/zinc/59/64/69/499596469.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 1 3 352.526 3.426 20 0 FGADHO Cc1nccn1CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596471 /nfs/dbraw/zinc/59/64/71/499596471.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 1 3 352.526 3.426 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000573257696 506155720 /nfs/dbraw/zinc/15/57/20/506155720.db2.gz KXUONNDJAGXCNO-UHFFFAOYSA-N 1 3 363.505 3.069 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000573257696 506155723 /nfs/dbraw/zinc/15/57/23/506155723.db2.gz KXUONNDJAGXCNO-UHFFFAOYSA-N 1 3 363.505 3.069 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCCCC2)CC1 ZINC000411387051 499732745 /nfs/dbraw/zinc/73/27/45/499732745.db2.gz ISQGYOBMTRHNCR-UHFFFAOYSA-N 1 3 357.542 3.425 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817994 499738325 /nfs/dbraw/zinc/73/83/25/499738325.db2.gz DIBXQFLCCJGORA-FKBYEOEOSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817994 499738327 /nfs/dbraw/zinc/73/83/27/499738327.db2.gz DIBXQFLCCJGORA-FKBYEOEOSA-N 1 3 363.505 3.123 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928304 499748683 /nfs/dbraw/zinc/74/86/83/499748683.db2.gz XKXRESZPPNNIPM-ITQYTPKQSA-N 1 3 363.933 3.179 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928304 499748686 /nfs/dbraw/zinc/74/86/86/499748686.db2.gz XKXRESZPPNNIPM-ITQYTPKQSA-N 1 3 363.933 3.179 20 0 FGADHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414345425 499779733 /nfs/dbraw/zinc/77/97/33/499779733.db2.gz SVCKRAOWFBRXRD-AWEZNQCLSA-N 1 3 371.447 3.205 20 0 FGADHO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411744542 499785560 /nfs/dbraw/zinc/78/55/60/499785560.db2.gz UHDJSRLISPYGNI-FQEVSTJZSA-N 1 3 357.542 3.411 20 0 FGADHO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411744542 499785561 /nfs/dbraw/zinc/78/55/61/499785561.db2.gz UHDJSRLISPYGNI-FQEVSTJZSA-N 1 3 357.542 3.411 20 0 FGADHO CC(=O)NCC[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744542 499785563 /nfs/dbraw/zinc/78/55/63/499785563.db2.gz UHDJSRLISPYGNI-FQEVSTJZSA-N 1 3 357.542 3.411 20 0 FGADHO OC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CCN(Cc2ccccc2)CC1 ZINC000414524147 499802803 /nfs/dbraw/zinc/80/28/03/499802803.db2.gz JLSZDTSRNKAEHH-UHFFFAOYSA-N 1 3 367.468 3.424 20 0 FGADHO CCCC[N@@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696192 499821150 /nfs/dbraw/zinc/82/11/50/499821150.db2.gz PRXCXQFTAKBJHN-MRXNPFEDSA-N 1 3 351.922 3.139 20 0 FGADHO CCCC[N@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696192 499821152 /nfs/dbraw/zinc/82/11/52/499821152.db2.gz PRXCXQFTAKBJHN-MRXNPFEDSA-N 1 3 351.922 3.139 20 0 FGADHO CC(C)c1ccc(CC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414715558 499822203 /nfs/dbraw/zinc/82/22/03/499822203.db2.gz RBTKOMNQKKLHJN-OAQYLSRUSA-N 1 3 371.569 3.262 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000412098734 499823564 /nfs/dbraw/zinc/82/35/64/499823564.db2.gz HEHDHCLSRYINQZ-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762425 499827608 /nfs/dbraw/zinc/82/76/08/499827608.db2.gz AJTQKOYWAYKGJS-IYBDPMFKSA-N 1 3 360.452 3.199 20 0 FGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771740 499829035 /nfs/dbraw/zinc/82/90/35/499829035.db2.gz AIXFKOZWQPDDJD-KGLIPLIRSA-N 1 3 353.304 3.279 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000412161052 499829124 /nfs/dbraw/zinc/82/91/24/499829124.db2.gz LBXKVFAAZMWLHP-PWIGDYEPSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000412161052 499829125 /nfs/dbraw/zinc/82/91/25/499829125.db2.gz LBXKVFAAZMWLHP-PWIGDYEPSA-N 1 3 357.542 3.275 20 0 FGADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414810854 499833457 /nfs/dbraw/zinc/83/34/57/499833457.db2.gz OTPSAMVZVGXNAF-LBPRGKRZSA-N 1 3 361.408 3.409 20 0 FGADHO COCC1(CNCc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000414967052 499849531 /nfs/dbraw/zinc/84/95/31/499849531.db2.gz CTUQXZJEPKOHSJ-UHFFFAOYSA-N 1 3 361.711 3.208 20 0 FGADHO COc1cc(Br)c(CNCCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414982730 499851188 /nfs/dbraw/zinc/85/11/88/499851188.db2.gz YZZCVEWANQYTBJ-ZDUSSCGKSA-N 1 3 357.292 3.088 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414994707 499852525 /nfs/dbraw/zinc/85/25/25/499852525.db2.gz MLPGCQRRUQNDJA-WCQYABFASA-N 1 3 357.292 3.073 20 0 FGADHO CCOC(=O)C1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000414998544 499853158 /nfs/dbraw/zinc/85/31/58/499853158.db2.gz IENUEONTLWBVBT-CAOKTKFFSA-N 1 3 362.489 3.230 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011012 499854830 /nfs/dbraw/zinc/85/48/30/499854830.db2.gz VQJIJMYMRPAGOQ-WCQYABFASA-N 1 3 354.285 3.181 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116386 499865700 /nfs/dbraw/zinc/86/57/00/499865700.db2.gz YAKVQEAINUJMDC-AEFFLSMTSA-N 1 3 372.431 3.346 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC000415881984 499924049 /nfs/dbraw/zinc/92/40/49/499924049.db2.gz JSSYPEOPJOCIRY-OAQYLSRUSA-N 1 3 366.509 3.319 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000415911342 499927231 /nfs/dbraw/zinc/92/72/31/499927231.db2.gz XWTIGEURMRTHHZ-UHFFFAOYSA-N 1 3 366.509 3.017 20 0 FGADHO COc1cc2nccc(N3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232289 499930442 /nfs/dbraw/zinc/93/04/42/499930442.db2.gz OHOGSDFKEBZKGO-PXNSSMCTSA-N 1 3 373.522 3.268 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C ZINC000415945231 499931753 /nfs/dbraw/zinc/93/17/53/499931753.db2.gz KPTFYLUGISJMOH-OXJNMPFZSA-N 1 3 370.497 3.145 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415945146 499931848 /nfs/dbraw/zinc/93/18/48/499931848.db2.gz QWODTLAJTOCXPX-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1F)CCNC2)C(C)C ZINC000415954141 499933080 /nfs/dbraw/zinc/93/30/80/499933080.db2.gz JTNFDPHWVONANF-UHFFFAOYSA-N 1 3 350.482 3.102 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)c1 ZINC000415963761 499934444 /nfs/dbraw/zinc/93/44/44/499934444.db2.gz RTLGTJHWPZLFNY-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO NCc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415971423 499935607 /nfs/dbraw/zinc/93/56/07/499935607.db2.gz NAICWVSHRAUQBF-INIZCTEOSA-N 1 3 370.419 3.256 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415973482 499935965 /nfs/dbraw/zinc/93/59/65/499935965.db2.gz QJGZUJVFVGOFFB-OAHLLOKOSA-N 1 3 358.408 3.112 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000415978242 499936616 /nfs/dbraw/zinc/93/66/16/499936616.db2.gz XJDYAYPUZDJKHB-CYBMUJFWSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000415978242 499936617 /nfs/dbraw/zinc/93/66/17/499936617.db2.gz XJDYAYPUZDJKHB-CYBMUJFWSA-N 1 3 372.435 3.406 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417042691 499956437 /nfs/dbraw/zinc/95/64/37/499956437.db2.gz LXDJICQJOKWKRG-PXNSSMCTSA-N 1 3 360.546 3.203 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417042691 499956443 /nfs/dbraw/zinc/95/64/43/499956443.db2.gz LXDJICQJOKWKRG-PXNSSMCTSA-N 1 3 360.546 3.203 20 0 FGADHO C[C@@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957100 499968047 /nfs/dbraw/zinc/96/80/47/499968047.db2.gz ZVUZTYTZIHPETR-LMMKCTJWSA-N 1 3 360.546 3.097 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000413507860 499974959 /nfs/dbraw/zinc/97/49/59/499974959.db2.gz TWDPOZCQOCBSRY-RXVVDRJESA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000413507860 499974961 /nfs/dbraw/zinc/97/49/61/499974961.db2.gz TWDPOZCQOCBSRY-RXVVDRJESA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000576478220 506168375 /nfs/dbraw/zinc/16/83/75/506168375.db2.gz SSPHKXGNCMHZPT-PGRDOPGGSA-N 1 3 365.521 3.184 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079780 499999670 /nfs/dbraw/zinc/99/96/70/499999670.db2.gz BFMXWCPXZXJNTP-QUWFBVPJSA-N 1 3 372.557 3.242 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000421319815 500015976 /nfs/dbraw/zinc/01/59/76/500015976.db2.gz AZOLNBUUEMNUMG-UHFFFAOYSA-N 1 3 351.494 3.145 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000421364997 500026877 /nfs/dbraw/zinc/02/68/77/500026877.db2.gz AMIQQTDUVZEJPZ-UHFFFAOYSA-N 1 3 353.913 3.471 20 0 FGADHO C[NH+](C)C1CCC(NCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000421376553 500032610 /nfs/dbraw/zinc/03/26/10/500032610.db2.gz RJDSOHWNCZBRMP-UHFFFAOYSA-N 1 3 351.857 3.022 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435739 500106031 /nfs/dbraw/zinc/10/60/31/500106031.db2.gz UHLJQZIJGVEUAZ-UYAOXDASSA-N 1 3 368.525 3.370 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416831310 500131991 /nfs/dbraw/zinc/13/19/91/500131991.db2.gz AVZRKDORIACFIV-NRFANRHFSA-N 1 3 368.525 3.240 20 0 FGADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416839768 500134724 /nfs/dbraw/zinc/13/47/24/500134724.db2.gz KGGVUNOUZDWLOC-GOSISDBHSA-N 1 3 372.538 3.056 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c(C)c1 ZINC000414075681 500146479 /nfs/dbraw/zinc/14/64/79/500146479.db2.gz OCVMWTQZLZZCIG-IBGZPJMESA-N 1 3 368.525 3.262 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417677520 500147127 /nfs/dbraw/zinc/14/71/27/500147127.db2.gz FVZNIKGPOAYEKY-POAQFYNOSA-N 1 3 358.530 3.029 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000416895220 500149311 /nfs/dbraw/zinc/14/93/11/500149311.db2.gz SOXYJOFHIADJLH-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO COc1ccc([C@@H](NCCN2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421829589 500161241 /nfs/dbraw/zinc/16/12/41/500161241.db2.gz IOOSGIIGTWODHM-FQEVSTJZSA-N 1 3 351.510 3.147 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416948107 500164376 /nfs/dbraw/zinc/16/43/76/500164376.db2.gz YTKAVKVFFQRJKU-OAQYLSRUSA-N 1 3 368.525 3.259 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430017593 500181192 /nfs/dbraw/zinc/18/11/92/500181192.db2.gz AMPBHBHHDAXHFX-MRXNPFEDSA-N 1 3 365.949 3.244 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)C1CC[NH2+]CC1 ZINC000417005587 500182386 /nfs/dbraw/zinc/18/23/86/500182386.db2.gz JBFXTOKRRWAXHG-GOSISDBHSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000417866121 500187291 /nfs/dbraw/zinc/18/72/91/500187291.db2.gz DBTROSUEIZYLEN-FIKGOQFSSA-N 1 3 366.509 3.169 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950164 500202577 /nfs/dbraw/zinc/20/25/77/500202577.db2.gz VVXYHDUDNBCINY-HKBOAZHASA-N 1 3 366.509 3.211 20 0 FGADHO CC(C)(CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000418060350 500223803 /nfs/dbraw/zinc/22/38/03/500223803.db2.gz CGRGDQNYSWLOQV-HXUWFJFHSA-N 1 3 368.525 3.261 20 0 FGADHO CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000422244083 500240328 /nfs/dbraw/zinc/24/03/28/500240328.db2.gz JLWXSKWVHLXOHN-CBNMVNINSA-N 1 3 372.557 3.165 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166628 500240961 /nfs/dbraw/zinc/24/09/61/500240961.db2.gz ZOAYIYZIGQDAAG-VQTJNVASSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418377338 500270116 /nfs/dbraw/zinc/27/01/16/500270116.db2.gz BGWCNPDOYVPSCI-CMTQZCSUSA-N 1 3 358.530 3.123 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000430707558 500273118 /nfs/dbraw/zinc/27/31/18/500273118.db2.gz XVIZDCKCHBBOCX-CBQOVEMMSA-N 1 3 371.569 3.211 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763895 500281669 /nfs/dbraw/zinc/28/16/69/500281669.db2.gz BPZGWIWCZUQAHB-GOEBONIOSA-N 1 3 371.447 3.189 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497880 500284513 /nfs/dbraw/zinc/28/45/13/500284513.db2.gz IUORSRQUTJDLML-FGZHOGPDSA-N 1 3 374.488 3.026 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705925 500287657 /nfs/dbraw/zinc/28/76/57/500287657.db2.gz DBMZBCOEHMSXGU-MAUKXSAKSA-N 1 3 355.448 3.387 20 0 FGADHO CC1CCN([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744820 500292997 /nfs/dbraw/zinc/29/29/97/500292997.db2.gz WROYDLMYEXGDBF-KAOXLYBCSA-N 1 3 371.569 3.206 20 0 FGADHO COc1cccc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422759311 500294647 /nfs/dbraw/zinc/29/46/47/500294647.db2.gz KRUFVTTZXRBZBA-ZWCUEREDSA-N 1 3 353.510 3.212 20 0 FGADHO Cc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797972 500298887 /nfs/dbraw/zinc/29/88/87/500298887.db2.gz PGQKTYCZTCCCSD-OXJNMPFZSA-N 1 3 360.523 3.205 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801122 500299951 /nfs/dbraw/zinc/29/99/51/500299951.db2.gz DQRYWANNBFRTQS-RVHYNSKXSA-N 1 3 358.457 3.247 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418653456 500301419 /nfs/dbraw/zinc/30/14/19/500301419.db2.gz AOVYQYALKVHBNK-HXUWFJFHSA-N 1 3 360.546 3.374 20 0 FGADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819686 500302042 /nfs/dbraw/zinc/30/20/42/500302042.db2.gz IUKADVDACLUIGH-DWLFOUALSA-N 1 3 352.478 3.090 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418656972 500302450 /nfs/dbraw/zinc/30/24/50/500302450.db2.gz TVWLVIYMHFHUFO-WOJBJXKFSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1COCc1ccccc1 ZINC000422858798 500306653 /nfs/dbraw/zinc/30/66/53/500306653.db2.gz JHWBVFZYIHWJJE-BULFRSBZSA-N 1 3 354.494 3.245 20 0 FGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422897119 500312882 /nfs/dbraw/zinc/31/28/82/500312882.db2.gz JAIFLMMYAHNRAO-RCCFBDPRSA-N 1 3 352.906 3.164 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422916104 500316482 /nfs/dbraw/zinc/31/64/82/500316482.db2.gz ZYYRREGZHQGRSD-ZDUSSCGKSA-N 1 3 353.495 3.261 20 0 FGADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422922443 500316732 /nfs/dbraw/zinc/31/67/32/500316732.db2.gz STBFNJGHXVEPIJ-QHAWAJNXSA-N 1 3 374.525 3.071 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1 ZINC000422922443 500316735 /nfs/dbraw/zinc/31/67/35/500316735.db2.gz STBFNJGHXVEPIJ-QHAWAJNXSA-N 1 3 374.525 3.071 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422926731 500317688 /nfs/dbraw/zinc/31/76/88/500317688.db2.gz DTCCQEAFVVNZPN-ZWOKBUDYSA-N 1 3 361.530 3.020 20 0 FGADHO CCOC(=O)C1([C@@H](C)NC2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422934527 500319122 /nfs/dbraw/zinc/31/91/22/500319122.db2.gz JRYDOQVDFVALLF-CQSZACIVSA-N 1 3 350.890 3.240 20 0 FGADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418780670 500322555 /nfs/dbraw/zinc/32/25/55/500322555.db2.gz YOPKGHFXYGCZDJ-HLAWJBBLSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000431017247 500323920 /nfs/dbraw/zinc/32/39/20/500323920.db2.gz OQHZYMLLJWHGEE-LAUBAEHRSA-N 1 3 367.493 3.088 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000431017247 500323921 /nfs/dbraw/zinc/32/39/21/500323921.db2.gz OQHZYMLLJWHGEE-LAUBAEHRSA-N 1 3 367.493 3.088 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(OCCN[C@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422958255 500323985 /nfs/dbraw/zinc/32/39/85/500323985.db2.gz OUYXWEJDPGLOAS-JKSUJKDBSA-N 1 3 371.481 3.042 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(OCCOc2ccccc2)nc1 ZINC000422971506 500325406 /nfs/dbraw/zinc/32/54/06/500325406.db2.gz IUWUFCYQHNGGDE-QUCCMNQESA-N 1 3 355.482 3.147 20 0 FGADHO FC(F)(F)c1cnc(OCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000423015460 500331097 /nfs/dbraw/zinc/33/10/97/500331097.db2.gz RADBSBORLJSFPG-FUNVUKJBSA-N 1 3 363.811 3.395 20 0 FGADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021902 500331954 /nfs/dbraw/zinc/33/19/54/500331954.db2.gz GNQBASZQAUYNSU-NEPJUHHUSA-N 1 3 367.209 3.316 20 0 FGADHO CN1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021242 500332032 /nfs/dbraw/zinc/33/20/32/500332032.db2.gz DTLYNFSVZFCAJE-XAHNJQFWSA-N 1 3 351.897 3.345 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047833 500334847 /nfs/dbraw/zinc/33/48/47/500334847.db2.gz HGJIWASLAFQPNA-DYVFJYSZSA-N 1 3 369.431 3.027 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048770 500335257 /nfs/dbraw/zinc/33/52/57/500335257.db2.gz ITCPTGOZDKACFH-STQMWFEESA-N 1 3 357.420 3.025 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423049364 500335769 /nfs/dbraw/zinc/33/57/69/500335769.db2.gz JSUUROQOHAPTGC-WMLDXEAASA-N 1 3 367.415 3.113 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423068949 500338202 /nfs/dbraw/zinc/33/82/02/500338202.db2.gz AJFHKAQSVRDIPW-NYVOZVTQSA-N 1 3 369.578 3.152 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423068949 500338205 /nfs/dbraw/zinc/33/82/05/500338205.db2.gz AJFHKAQSVRDIPW-NYVOZVTQSA-N 1 3 369.578 3.152 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423110782 500343698 /nfs/dbraw/zinc/34/36/98/500343698.db2.gz VVQJWASTPUOALA-UZLBHIALSA-N 1 3 373.928 3.225 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC ZINC000423147041 500348634 /nfs/dbraw/zinc/34/86/34/500348634.db2.gz BVKHQJYEQRTXEN-RDJZCZTQSA-N 1 3 350.503 3.013 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423147041 500348635 /nfs/dbraw/zinc/34/86/35/500348635.db2.gz BVKHQJYEQRTXEN-RDJZCZTQSA-N 1 3 350.503 3.013 20 0 FGADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1Br ZINC000423169806 500350593 /nfs/dbraw/zinc/35/05/93/500350593.db2.gz ZZDVSYWVGOEPMZ-JZXOWHBKSA-N 1 3 369.347 3.016 20 0 FGADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173191 500351265 /nfs/dbraw/zinc/35/12/65/500351265.db2.gz XIJAZCXIVGJGHL-WKDRNLAYSA-N 1 3 350.462 3.144 20 0 FGADHO CNC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423270748 500360761 /nfs/dbraw/zinc/36/07/61/500360761.db2.gz IJFWKSRTUBBTBW-CHWSQXEVSA-N 1 3 360.283 3.057 20 0 FGADHO C[NH2+]C[C@@H](C)CN[C@H](C)CCc1ccc(I)cc1 ZINC000423270748 500360763 /nfs/dbraw/zinc/36/07/63/500360763.db2.gz IJFWKSRTUBBTBW-CHWSQXEVSA-N 1 3 360.283 3.057 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000423347988 500366049 /nfs/dbraw/zinc/36/60/49/500366049.db2.gz RPLWDZJQJKJKDC-PMACEKPBSA-N 1 3 353.510 3.440 20 0 FGADHO Cc1cc2c(cc1C)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397137 500370576 /nfs/dbraw/zinc/37/05/76/500370576.db2.gz UKAFAEVNYCVDFX-DOTOQJQBSA-N 1 3 373.488 3.266 20 0 FGADHO COCC1(CN[C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000423398970 500370602 /nfs/dbraw/zinc/37/06/02/500370602.db2.gz DQCDHAZKKRYAKS-HXUWFJFHSA-N 1 3 357.473 3.224 20 0 FGADHO Cc1nc(C(C)C)sc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399695 500370652 /nfs/dbraw/zinc/37/06/52/500370652.db2.gz WOLIPPHMLCIPCW-AAEUAGOBSA-N 1 3 364.481 3.062 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423452880 500375775 /nfs/dbraw/zinc/37/57/75/500375775.db2.gz KGWHUHPOPXJEDY-ONUMYQOESA-N 1 3 370.324 3.291 20 0 FGADHO Fc1ccc(CCN2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000423525157 500382355 /nfs/dbraw/zinc/38/23/55/500382355.db2.gz KHOVFFIKNTYZIR-XZOQPEGZSA-N 1 3 367.512 3.178 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1I ZINC000423542179 500383522 /nfs/dbraw/zinc/38/35/22/500383522.db2.gz LWSXJKDISDGIIE-RFQIPJPRSA-N 1 3 370.278 3.330 20 0 FGADHO [NH3+]C1(CN[C@@H]2CCc3c2cccc3F)CCN(Cc2ccccc2)CC1 ZINC000423578195 500386177 /nfs/dbraw/zinc/38/61/77/500386177.db2.gz UEXJZOKMONDOJU-OAQYLSRUSA-N 1 3 353.485 3.396 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000431795794 500426069 /nfs/dbraw/zinc/42/60/69/500426069.db2.gz HVLUWDVNOBTQPQ-NHCUHLMSSA-N 1 3 374.573 3.448 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302465 500437760 /nfs/dbraw/zinc/43/77/60/500437760.db2.gz MHXLPXVISYNZHL-YLJYHZDGSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302465 500437761 /nfs/dbraw/zinc/43/77/61/500437761.db2.gz MHXLPXVISYNZHL-YLJYHZDGSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302465 500437764 /nfs/dbraw/zinc/43/77/64/500437764.db2.gz MHXLPXVISYNZHL-YLJYHZDGSA-N 1 3 368.477 3.346 20 0 FGADHO c1ccc(COc2cncc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320260 500441023 /nfs/dbraw/zinc/44/10/23/500441023.db2.gz BCKQOAJZEKOTFM-RTWAWAEBSA-N 1 3 351.494 3.482 20 0 FGADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326426 500441375 /nfs/dbraw/zinc/44/13/75/500441375.db2.gz JXCNZIWXSBAQIV-XIRDDKMYSA-N 1 3 356.470 3.128 20 0 FGADHO CCCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326868 500441880 /nfs/dbraw/zinc/44/18/80/500441880.db2.gz YACXFIPYBYGMDG-ZDUSSCGKSA-N 1 3 357.420 3.144 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335001 500443803 /nfs/dbraw/zinc/44/38/03/500443803.db2.gz HAMYLCNKWNJHDH-LEWJYISDSA-N 1 3 357.542 3.055 20 0 FGADHO c1ccc(-n2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335979 500443901 /nfs/dbraw/zinc/44/39/01/500443901.db2.gz VHSSSAYPZGWFNZ-ZWKOTPCHSA-N 1 3 350.510 3.183 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)c2ccccc12 ZINC000431927996 500444175 /nfs/dbraw/zinc/44/41/75/500444175.db2.gz UATHGNNTPMFGFC-QGZVFWFLSA-N 1 3 371.500 3.467 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)c2ccccc12 ZINC000431927996 500444177 /nfs/dbraw/zinc/44/41/77/500444177.db2.gz UATHGNNTPMFGFC-QGZVFWFLSA-N 1 3 371.500 3.467 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1 ZINC000424069277 500447163 /nfs/dbraw/zinc/44/71/63/500447163.db2.gz BNCBBUQTFQFJTK-HXUWFJFHSA-N 1 3 351.494 3.449 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1 ZINC000424069277 500447164 /nfs/dbraw/zinc/44/71/64/500447164.db2.gz BNCBBUQTFQFJTK-HXUWFJFHSA-N 1 3 351.494 3.449 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381885 500452078 /nfs/dbraw/zinc/45/20/78/500452078.db2.gz PFUYLYHLHAPLHC-FUHWJXTLSA-N 1 3 372.431 3.303 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000573446638 506196436 /nfs/dbraw/zinc/19/64/36/506196436.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000573446638 506196439 /nfs/dbraw/zinc/19/64/39/506196439.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288627 500481612 /nfs/dbraw/zinc/48/16/12/500481612.db2.gz KUTHLVIMBUGDRL-CRAIPNDOSA-N 1 3 363.571 3.416 20 0 FGADHO CC[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287624 500481991 /nfs/dbraw/zinc/48/19/91/500481991.db2.gz JERLXMPLQXHAQR-CRAIPNDOSA-N 1 3 363.933 3.371 20 0 FGADHO COc1c(Br)cccc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424371230 500493194 /nfs/dbraw/zinc/49/31/94/500493194.db2.gz DDMHXQBIIZFDOB-ZDUSSCGKSA-N 1 3 353.304 3.422 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000424440893 500505707 /nfs/dbraw/zinc/50/57/07/500505707.db2.gz VSGDZSAOWVHUMC-INIZCTEOSA-N 1 3 367.497 3.196 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428457946 500512582 /nfs/dbraw/zinc/51/25/82/500512582.db2.gz IAJUZXYAETXXGG-NJDAHSKKSA-N 1 3 371.569 3.429 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428468169 500513973 /nfs/dbraw/zinc/51/39/73/500513973.db2.gz MRAQUJPIXHLHDF-JOCHJYFZSA-N 1 3 359.558 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428468169 500513976 /nfs/dbraw/zinc/51/39/76/500513976.db2.gz MRAQUJPIXHLHDF-JOCHJYFZSA-N 1 3 359.558 3.203 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCN3CCC2CC3)[NH+](CC)CC)cc1 ZINC000432432904 500515870 /nfs/dbraw/zinc/51/58/70/500515870.db2.gz UHCFCTLGLSFYAH-OAQYLSRUSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420904575 500526678 /nfs/dbraw/zinc/52/66/78/500526678.db2.gz PUHOLOJVYHZYRE-PELRDEGISA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Cl)c(OC)c3)CC2)CC1 ZINC000420981669 500547135 /nfs/dbraw/zinc/54/71/35/500547135.db2.gz NJUKREOHJXODLX-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4ccccc4c3)CC2)CC1 ZINC000420986738 500548831 /nfs/dbraw/zinc/54/88/31/500548831.db2.gz YSWMZIXFMIBALZ-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4ccccc4c3)CC2)CC1 ZINC000420986738 500548834 /nfs/dbraw/zinc/54/88/34/500548834.db2.gz YSWMZIXFMIBALZ-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4ccccc4c3)CC2)CC1 ZINC000420986738 500548835 /nfs/dbraw/zinc/54/88/35/500548835.db2.gz YSWMZIXFMIBALZ-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000432781783 500562981 /nfs/dbraw/zinc/56/29/81/500562981.db2.gz PTMPCTVGGPFARD-RTBURBONSA-N 1 3 371.569 3.444 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661847 /nfs/dbraw/zinc/66/18/47/500661847.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661849 /nfs/dbraw/zinc/66/18/49/500661849.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 1 3 358.448 3.413 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065396 500672739 /nfs/dbraw/zinc/67/27/39/500672739.db2.gz ZTCAESYMLNGOLY-KSZLIROESA-N 1 3 353.510 3.466 20 0 FGADHO CC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000437646704 500675454 /nfs/dbraw/zinc/67/54/54/500675454.db2.gz PGWHLTLFEIVPFW-DSQUVOCVSA-N 1 3 373.585 3.314 20 0 FGADHO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1=CCN(C)CC1 ZINC000443122196 500683166 /nfs/dbraw/zinc/68/31/66/500683166.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 1 3 367.537 3.055 20 0 FGADHO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1=CCN(C)CC1 ZINC000443122196 500683168 /nfs/dbraw/zinc/68/31/68/500683168.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 1 3 367.537 3.055 20 0 FGADHO CC(C)(C)c1cnc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000447937200 500692904 /nfs/dbraw/zinc/69/29/04/500692904.db2.gz VWSOSVUIPVRQCF-UHFFFAOYSA-N 1 3 373.570 3.138 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000443242232 500700352 /nfs/dbraw/zinc/70/03/52/500700352.db2.gz UUFCWWBYYKRYDA-ICSRJNTNSA-N 1 3 374.573 3.407 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000438145598 500744948 /nfs/dbraw/zinc/74/49/48/500744948.db2.gz NMYXSYSALBNBOX-VQTJNVASSA-N 1 3 362.562 3.053 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000438145598 500744950 /nfs/dbraw/zinc/74/49/50/500744950.db2.gz NMYXSYSALBNBOX-VQTJNVASSA-N 1 3 362.562 3.053 20 0 FGADHO CN(C)CCN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC000438327360 500770506 /nfs/dbraw/zinc/77/05/06/500770506.db2.gz QODZDFCNAUFUPD-HXUWFJFHSA-N 1 3 364.578 3.299 20 0 FGADHO CN(C)CCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CCCC1 ZINC000438327360 500770507 /nfs/dbraw/zinc/77/05/07/500770507.db2.gz QODZDFCNAUFUPD-HXUWFJFHSA-N 1 3 364.578 3.299 20 0 FGADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)c(OCc2cccnc2)c1 ZINC000443982484 500786692 /nfs/dbraw/zinc/78/66/92/500786692.db2.gz CQQGXBUAYAFCMY-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)c(OCc2cccnc2)c1 ZINC000443982484 500786694 /nfs/dbraw/zinc/78/66/94/500786694.db2.gz CQQGXBUAYAFCMY-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690999 500880497 /nfs/dbraw/zinc/88/04/97/500880497.db2.gz MIPMIQSJTYHMGP-JCKWVBRZSA-N 1 3 371.447 3.332 20 0 FGADHO COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000449033947 500906078 /nfs/dbraw/zinc/90/60/78/500906078.db2.gz BIVQGDZNFKPJTG-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000449033947 500906079 /nfs/dbraw/zinc/90/60/79/500906079.db2.gz BIVQGDZNFKPJTG-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H](CNCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063300 500915276 /nfs/dbraw/zinc/91/52/76/500915276.db2.gz OVCHPXCWHAKIJN-DLBZAZTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](CNCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063300 500915278 /nfs/dbraw/zinc/91/52/78/500915278.db2.gz OVCHPXCWHAKIJN-DLBZAZTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](C[NH2+]CCCN1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063300 500915281 /nfs/dbraw/zinc/91/52/81/500915281.db2.gz OVCHPXCWHAKIJN-DLBZAZTESA-N 1 3 352.544 3.048 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000445020544 500933973 /nfs/dbraw/zinc/93/39/73/500933973.db2.gz LJDHSMZFMSOCGC-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000445020544 500933975 /nfs/dbraw/zinc/93/39/75/500933975.db2.gz LJDHSMZFMSOCGC-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2ccccc2)CC1 ZINC000449253036 500958407 /nfs/dbraw/zinc/95/84/07/500958407.db2.gz WSLHJSLREHKHMD-AUSIDOKSSA-N 1 3 352.522 3.275 20 0 FGADHO C[NH2+]CCC1CCN(Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000435372386 500961513 /nfs/dbraw/zinc/96/15/13/500961513.db2.gz AJIOYIVAGAZEOE-UHFFFAOYSA-N 1 3 360.420 3.458 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000449334726 500980169 /nfs/dbraw/zinc/98/01/69/500980169.db2.gz XWLPBQLLCXZSJH-INIZCTEOSA-N 1 3 358.592 3.080 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345407 500983222 /nfs/dbraw/zinc/98/32/22/500983222.db2.gz VMGATZLOZHPFKK-JYRKZWEQSA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345407 500983225 /nfs/dbraw/zinc/98/32/25/500983225.db2.gz VMGATZLOZHPFKK-JYRKZWEQSA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345407 500983228 /nfs/dbraw/zinc/98/32/28/500983228.db2.gz VMGATZLOZHPFKK-JYRKZWEQSA-N 1 3 358.526 3.071 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449490707 501016168 /nfs/dbraw/zinc/01/61/68/501016168.db2.gz CLNQONQMLLPIJL-UGKGYDQZSA-N 1 3 359.558 3.369 20 0 FGADHO CO[C@@H](Cc1ccccc1)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450643789 501173915 /nfs/dbraw/zinc/17/39/15/501173915.db2.gz RIEAGCIHMNBUIR-QFIPXVFZSA-N 1 3 353.510 3.488 20 0 FGADHO CO[C@@H](Cc1ccccc1)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450643789 501173919 /nfs/dbraw/zinc/17/39/19/501173919.db2.gz RIEAGCIHMNBUIR-QFIPXVFZSA-N 1 3 353.510 3.488 20 0 FGADHO CN(Cc1cc(Cl)cc(C[N@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000450747525 501199577 /nfs/dbraw/zinc/19/95/77/501199577.db2.gz ULVJGNSPYYKPJZ-UHFFFAOYSA-N 1 3 366.933 3.034 20 0 FGADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000450747525 501199579 /nfs/dbraw/zinc/19/95/79/501199579.db2.gz ULVJGNSPYYKPJZ-UHFFFAOYSA-N 1 3 366.933 3.034 20 0 FGADHO CCc1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000450289774 501226803 /nfs/dbraw/zinc/22/68/03/501226803.db2.gz BYDIXORYXWRKRX-IBGZPJMESA-N 1 3 365.525 3.078 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccncc1 ZINC000453057400 501259700 /nfs/dbraw/zinc/25/97/00/501259700.db2.gz DYWHWEGMINAXHT-JOCHJYFZSA-N 1 3 352.526 3.460 20 0 FGADHO CC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107704 501270297 /nfs/dbraw/zinc/27/02/97/501270297.db2.gz JINYLDOHGIYXGT-LEWJYISDSA-N 1 3 366.509 3.020 20 0 FGADHO CC[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107704 501270299 /nfs/dbraw/zinc/27/02/99/501270299.db2.gz JINYLDOHGIYXGT-LEWJYISDSA-N 1 3 366.509 3.020 20 0 FGADHO CCC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108008 501270842 /nfs/dbraw/zinc/27/08/42/501270842.db2.gz JZKDOEKQBDLUQQ-NHCUHLMSSA-N 1 3 357.542 3.442 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000455325206 501271827 /nfs/dbraw/zinc/27/18/27/501271827.db2.gz FJKKBKQKLLUFTB-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276822 /nfs/dbraw/zinc/27/68/22/501276822.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276826 /nfs/dbraw/zinc/27/68/26/501276826.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000457670769 501283837 /nfs/dbraw/zinc/28/38/37/501283837.db2.gz OFUSLOAFCJXZGI-FQEVSTJZSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495527 501458581 /nfs/dbraw/zinc/45/85/81/501458581.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495527 501458582 /nfs/dbraw/zinc/45/85/82/501458582.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000458793583 501532890 /nfs/dbraw/zinc/53/28/90/501532890.db2.gz NNMHKNFPPWXSDI-PZJWPPBQSA-N 1 3 374.573 3.225 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000458793583 501532891 /nfs/dbraw/zinc/53/28/91/501532891.db2.gz NNMHKNFPPWXSDI-PZJWPPBQSA-N 1 3 374.573 3.225 20 0 FGADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680691 501608053 /nfs/dbraw/zinc/60/80/53/501608053.db2.gz ZDSJNNLEZFRWKL-RBUKOAKNSA-N 1 3 374.573 3.126 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000459399689 501646483 /nfs/dbraw/zinc/64/64/83/501646483.db2.gz GYQMMYNROSVTCI-UHFFFAOYSA-N 1 3 351.494 3.145 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000459414129 501649450 /nfs/dbraw/zinc/64/94/50/501649450.db2.gz PSIUDLCGARVWTI-ZCNNSNEGSA-N 1 3 364.555 3.160 20 0 FGADHO FC(F)(F)c1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)nc1 ZINC000459444059 501655012 /nfs/dbraw/zinc/65/50/12/501655012.db2.gz QRKVVQIAJPMHCT-UHFFFAOYSA-N 1 3 366.387 3.133 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1Oc1ccccc1 ZINC000459497258 501664180 /nfs/dbraw/zinc/66/41/80/501664180.db2.gz IYHZIJDXKHYKSM-BDTNDASRSA-N 1 3 367.493 3.265 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]Cc3ccc4cncn4c3)CC2)cc1 ZINC000459659103 501694103 /nfs/dbraw/zinc/69/41/03/501694103.db2.gz LMKZZYIPPXNREY-UHFFFAOYSA-N 1 3 352.457 3.270 20 0 FGADHO Fc1ccc(CC[NH+]2CCC(NCc3ccc4cncn4c3)CC2)cc1 ZINC000459659103 501694105 /nfs/dbraw/zinc/69/41/05/501694105.db2.gz LMKZZYIPPXNREY-UHFFFAOYSA-N 1 3 352.457 3.270 20 0 FGADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000467337678 501773520 /nfs/dbraw/zinc/77/35/20/501773520.db2.gz FDEHTJVUUHBYCP-ZRGWGRIASA-N 1 3 350.478 3.301 20 0 FGADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000467358786 501777014 /nfs/dbraw/zinc/77/70/14/501777014.db2.gz MCMJWSCTAMKHBC-ZCNNSNEGSA-N 1 3 374.573 3.098 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474294748 501779284 /nfs/dbraw/zinc/77/92/84/501779284.db2.gz AFGPODWEHIPVBK-KRWDZBQOSA-N 1 3 365.521 3.234 20 0 FGADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000481498267 501792324 /nfs/dbraw/zinc/79/23/24/501792324.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 1 3 371.569 3.450 20 0 FGADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000481498267 501792327 /nfs/dbraw/zinc/79/23/27/501792327.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 1 3 371.569 3.450 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000477876220 501816525 /nfs/dbraw/zinc/81/65/25/501816525.db2.gz ITCKOUFAXVEZDC-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO CC(C)CNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497690 501838603 /nfs/dbraw/zinc/83/86/03/501838603.db2.gz VWYHOGZPXSSTKF-IBGZPJMESA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)C[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021597 501932789 /nfs/dbraw/zinc/93/27/89/501932789.db2.gz KHKSAFBAEVWUFS-YSIASYRMSA-N 1 3 372.557 3.288 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917058 501958852 /nfs/dbraw/zinc/95/88/52/501958852.db2.gz ZNNWGWHTAXLSJI-APWZRJJASA-N 1 3 365.949 3.318 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917058 501958858 /nfs/dbraw/zinc/95/88/58/501958858.db2.gz ZNNWGWHTAXLSJI-APWZRJJASA-N 1 3 365.949 3.318 20 0 FGADHO CC(C)(CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410420 501972369 /nfs/dbraw/zinc/97/23/69/501972369.db2.gz VKAZERFVTNZQDU-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1cc(N)ccc1F ZINC000482152687 501991368 /nfs/dbraw/zinc/99/13/68/501991368.db2.gz ACTQMKZUAQOGOO-YJBOKZPZSA-N 1 3 364.509 3.227 20 0 FGADHO Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c(CN(C)C)c1 ZINC000471382731 502005914 /nfs/dbraw/zinc/00/59/14/502005914.db2.gz ROUZZDNUOHXSCH-UHFFFAOYSA-N 1 3 351.494 3.444 20 0 FGADHO Cc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c(CN(C)C)c1 ZINC000471382731 502005919 /nfs/dbraw/zinc/00/59/19/502005919.db2.gz ROUZZDNUOHXSCH-UHFFFAOYSA-N 1 3 351.494 3.444 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471390048 502008781 /nfs/dbraw/zinc/00/87/81/502008781.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 1 3 357.542 3.062 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471390048 502008786 /nfs/dbraw/zinc/00/87/86/502008786.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 1 3 357.542 3.062 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000474979548 502010412 /nfs/dbraw/zinc/01/04/12/502010412.db2.gz TVNYFUOFEJSRFV-OAQYLSRUSA-N 1 3 373.585 3.472 20 0 FGADHO COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000482542426 502106386 /nfs/dbraw/zinc/10/63/86/502106386.db2.gz IPVDMZCUABMFFP-NRFANRHFSA-N 1 3 354.494 3.455 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000471845412 502152177 /nfs/dbraw/zinc/15/21/77/502152177.db2.gz OGAOZJCNKWEMOG-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000461719739 502178075 /nfs/dbraw/zinc/17/80/75/502178075.db2.gz CSCFPJFWSAZVJN-LJQANCHMSA-N 1 3 374.573 3.270 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212036 /nfs/dbraw/zinc/21/20/36/502212036.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 1 3 359.514 3.220 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212042 /nfs/dbraw/zinc/21/20/42/502212042.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 1 3 359.514 3.220 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280018 502213560 /nfs/dbraw/zinc/21/35/60/502213560.db2.gz JBOCCYWFTXSYID-BSDSXHPESA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280018 502213568 /nfs/dbraw/zinc/21/35/68/502213568.db2.gz JBOCCYWFTXSYID-BSDSXHPESA-N 1 3 364.534 3.271 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000479335515 502228531 /nfs/dbraw/zinc/22/85/31/502228531.db2.gz MDPZQLVQUXNMRP-HXUWFJFHSA-N 1 3 356.514 3.308 20 0 FGADHO CC1(C)C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2cc(Br)ccc21 ZINC000479367309 502235762 /nfs/dbraw/zinc/23/57/62/502235762.db2.gz ZACRZFZRXPMYHZ-PBHICJAKSA-N 1 3 367.331 3.218 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482982201 502235859 /nfs/dbraw/zinc/23/58/59/502235859.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482982201 502235867 /nfs/dbraw/zinc/23/58/67/502235867.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 1 3 355.526 3.032 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139916 502245575 /nfs/dbraw/zinc/24/55/75/502245575.db2.gz IYJNOHFNAIKUMG-MSOLQXFVSA-N 1 3 371.525 3.163 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000461946412 502247630 /nfs/dbraw/zinc/24/76/30/502247630.db2.gz GSGLERPFHKTQBF-UXHICEINSA-N 1 3 360.546 3.195 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232998 502279658 /nfs/dbraw/zinc/27/96/58/502279658.db2.gz WCXORWOSEUPGCQ-GCJKJVERSA-N 1 3 369.553 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](CC)CC2)CC1 ZINC000462116549 502312807 /nfs/dbraw/zinc/31/28/07/502312807.db2.gz OOMJMNPCYGSBNA-QGZVFWFLSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CC1 ZINC000462116549 502312813 /nfs/dbraw/zinc/31/28/13/502312813.db2.gz OOMJMNPCYGSBNA-QGZVFWFLSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000465581313 502315024 /nfs/dbraw/zinc/31/50/24/502315024.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000465581313 502315029 /nfs/dbraw/zinc/31/50/29/502315029.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465669269 502341314 /nfs/dbraw/zinc/34/13/14/502341314.db2.gz WJUSKEUDBXWUAU-GUDVDZBRSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465669269 502341318 /nfs/dbraw/zinc/34/13/18/502341318.db2.gz WJUSKEUDBXWUAU-GUDVDZBRSA-N 1 3 352.567 3.013 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367715 /nfs/dbraw/zinc/36/77/15/502367715.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 1 3 372.557 3.195 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367721 /nfs/dbraw/zinc/36/77/21/502367721.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000479789588 502378554 /nfs/dbraw/zinc/37/85/54/502378554.db2.gz RZBJGXLVMQVWLB-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000472600099 502397959 /nfs/dbraw/zinc/39/79/59/502397959.db2.gz XKQWHIVLAIFJEV-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000472600099 502397963 /nfs/dbraw/zinc/39/79/63/502397963.db2.gz XKQWHIVLAIFJEV-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000483494478 502411035 /nfs/dbraw/zinc/41/10/35/502411035.db2.gz ADIPZMYLHQZARA-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@@H]1C ZINC000483494478 502411038 /nfs/dbraw/zinc/41/10/38/502411038.db2.gz ADIPZMYLHQZARA-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412491 /nfs/dbraw/zinc/41/24/91/502412491.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412494 /nfs/dbraw/zinc/41/24/94/502412494.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 1 3 374.573 3.174 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942618 502435334 /nfs/dbraw/zinc/43/53/34/502435334.db2.gz NJURYCNPTLGFBB-OAQYLSRUSA-N 1 3 372.557 3.202 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466038653 502462606 /nfs/dbraw/zinc/46/26/06/502462606.db2.gz KVUDQYVHOOWDSX-DLBZAZTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008195 502498529 /nfs/dbraw/zinc/49/85/29/502498529.db2.gz ILWVBCWLLWXCEE-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008195 502498534 /nfs/dbraw/zinc/49/85/34/502498534.db2.gz ILWVBCWLLWXCEE-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)N1CCCCC1 ZINC000469757312 502533556 /nfs/dbraw/zinc/53/35/56/502533556.db2.gz LXOUHVRBSQRTTK-RTBURBONSA-N 1 3 357.542 3.135 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000476698634 502567520 /nfs/dbraw/zinc/56/75/20/502567520.db2.gz GAGAWAXOROSPHA-NRFANRHFSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865751 502575267 /nfs/dbraw/zinc/57/52/67/502575267.db2.gz YZCIZYNBHKKHID-LPHOPBHVSA-N 1 3 363.933 3.037 20 0 FGADHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1csc(-c2ccccc2F)n1 ZINC000462812618 502583729 /nfs/dbraw/zinc/58/37/29/502583729.db2.gz IEHWOEBHDJRIJK-CQSZACIVSA-N 1 3 363.502 3.304 20 0 FGADHO COCCN1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@H]1C ZINC000462824992 502588419 /nfs/dbraw/zinc/58/84/19/502588419.db2.gz FMBNOSUDZPRUTG-CQSZACIVSA-N 1 3 365.424 3.302 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876224 502609328 /nfs/dbraw/zinc/60/93/28/502609328.db2.gz VROQZNWQIIHCFH-HSZRJFAPSA-N 1 3 365.521 3.330 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884354 502613217 /nfs/dbraw/zinc/61/32/17/502613217.db2.gz PKFCQLGMXPZSCG-QHCPKHFHSA-N 1 3 365.521 3.307 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290289 502616154 /nfs/dbraw/zinc/61/61/54/502616154.db2.gz BZMSKMBEVUMGMB-BZSNNMDCSA-N 1 3 364.534 3.130 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600047 502617327 /nfs/dbraw/zinc/61/73/27/502617327.db2.gz HJBAYSZDQMAIQN-XMSQKQJNSA-N 1 3 365.521 3.437 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600047 502617331 /nfs/dbraw/zinc/61/73/31/502617331.db2.gz HJBAYSZDQMAIQN-XMSQKQJNSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000470014051 502630017 /nfs/dbraw/zinc/63/00/17/502630017.db2.gz UMSPJJQRMQJEED-DENIHFKCSA-N 1 3 371.569 3.272 20 0 FGADHO C[C@H]([NH3+])C1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470019527 502632384 /nfs/dbraw/zinc/63/23/84/502632384.db2.gz GEKQGYCWUYWYRI-ZDUSSCGKSA-N 1 3 363.303 3.194 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(OC)CCCCC2)CC1 ZINC000480658026 502634901 /nfs/dbraw/zinc/63/49/01/502634901.db2.gz JJQCTJUHGYPJDX-UHFFFAOYSA-N 1 3 359.558 3.263 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000480763952 502664673 /nfs/dbraw/zinc/66/46/73/502664673.db2.gz WZFVMFBBQASBDO-FDFHNCONSA-N 1 3 367.622 3.470 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000488240771 502667502 /nfs/dbraw/zinc/66/75/02/502667502.db2.gz IBKJQYIJBWOWFV-IBGZPJMESA-N 1 3 361.574 3.025 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000480920722 502705819 /nfs/dbraw/zinc/70/58/19/502705819.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 1 3 357.542 3.204 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000480920722 502705823 /nfs/dbraw/zinc/70/58/23/502705823.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 1 3 357.542 3.204 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000488444864 502716711 /nfs/dbraw/zinc/71/67/11/502716711.db2.gz XEGOLSZLTQNSKC-GGPKGHCWSA-N 1 3 360.546 3.097 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000477248668 502718788 /nfs/dbraw/zinc/71/87/88/502718788.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C(C)C)CC2)C1 ZINC000477248668 502718792 /nfs/dbraw/zinc/71/87/92/502718792.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487332 502729387 /nfs/dbraw/zinc/72/93/87/502729387.db2.gz ZIWRNIRDTCLWPM-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487332 502729393 /nfs/dbraw/zinc/72/93/93/502729393.db2.gz ZIWRNIRDTCLWPM-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481039582 502737891 /nfs/dbraw/zinc/73/78/91/502737891.db2.gz RRHVKWRBSZKEAU-ANULTFPQSA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2CCN(Cc3ccccn3)CC2)C1 ZINC000481039588 502738333 /nfs/dbraw/zinc/73/83/33/502738333.db2.gz RRWNIUDXHLALSB-KDURUIRLSA-N 1 3 358.574 3.392 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CCN(Cc3ccccn3)CC2)C1 ZINC000481039588 502738339 /nfs/dbraw/zinc/73/83/39/502738339.db2.gz RRWNIUDXHLALSB-KDURUIRLSA-N 1 3 358.574 3.392 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473957591 502761850 /nfs/dbraw/zinc/76/18/50/502761850.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473957591 502761855 /nfs/dbraw/zinc/76/18/55/502761855.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 1 3 372.557 3.336 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000481185999 502777152 /nfs/dbraw/zinc/77/71/52/502777152.db2.gz HCYZZDJVXRPCJF-LRXVAGHRSA-N 1 3 371.569 3.490 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781650 /nfs/dbraw/zinc/78/16/50/502781650.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781651 /nfs/dbraw/zinc/78/16/51/502781651.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000470476546 502789019 /nfs/dbraw/zinc/78/90/19/502789019.db2.gz ZITWOOWEEKXJNK-OAQYLSRUSA-N 1 3 374.573 3.459 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)C ZINC000470474851 502789370 /nfs/dbraw/zinc/78/93/70/502789370.db2.gz RWXGPKRKNXSRRX-UHFFFAOYSA-N 1 3 354.583 3.259 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049479 502790134 /nfs/dbraw/zinc/79/01/34/502790134.db2.gz YXYPEWLMUIWVMJ-XPWALMASSA-N 1 3 371.569 3.119 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C)cc1 ZINC000470480272 502790382 /nfs/dbraw/zinc/79/03/82/502790382.db2.gz RAHDWPPVBWLRSO-HXUWFJFHSA-N 1 3 362.562 3.406 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444985 502808191 /nfs/dbraw/zinc/80/81/91/502808191.db2.gz OWHXBEWJMSQRGH-UXHICEINSA-N 1 3 357.542 3.498 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513040049 502836034 /nfs/dbraw/zinc/83/60/34/502836034.db2.gz DVBIMAGKALKTBM-WIYYLYMNSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513040049 502836039 /nfs/dbraw/zinc/83/60/39/502836039.db2.gz DVBIMAGKALKTBM-WIYYLYMNSA-N 1 3 357.542 3.326 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000495696489 502858372 /nfs/dbraw/zinc/85/83/72/502858372.db2.gz LOLVUNWWEKWYDI-OALUTQOASA-N 1 3 363.571 3.036 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000495696489 502858374 /nfs/dbraw/zinc/85/83/74/502858374.db2.gz LOLVUNWWEKWYDI-OALUTQOASA-N 1 3 363.571 3.036 20 0 FGADHO CN(CC[S@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048782 502922492 /nfs/dbraw/zinc/92/24/92/502922492.db2.gz XMUVFYKQUUSJPK-VWLOTQADSA-N 1 3 357.523 3.038 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000505545646 502931985 /nfs/dbraw/zinc/93/19/85/502931985.db2.gz VXSCMCCUHIFHKH-LJQANCHMSA-N 1 3 358.530 3.032 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000505545646 502931988 /nfs/dbraw/zinc/93/19/88/502931988.db2.gz VXSCMCCUHIFHKH-LJQANCHMSA-N 1 3 358.530 3.032 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(OC3CCCCC3)CC2)CC1 ZINC000501132074 502945851 /nfs/dbraw/zinc/94/58/51/502945851.db2.gz GGYUIEAFNYASII-UHFFFAOYSA-N 1 3 351.579 3.216 20 0 FGADHO c1ccc(N2CCN(CCCN3CC[C@@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699675 502971172 /nfs/dbraw/zinc/97/11/72/502971172.db2.gz RTPGPSFVUQBMLY-QFIPXVFZSA-N 1 3 370.585 3.007 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1 ZINC000497549534 502985242 /nfs/dbraw/zinc/98/52/42/502985242.db2.gz AOYPZRNEWBORKA-ROUUACIJSA-N 1 3 366.525 3.094 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564839 502989435 /nfs/dbraw/zinc/98/94/35/502989435.db2.gz SPPVRPQLTQQWTD-QZTJIDSGSA-N 1 3 364.578 3.203 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679233 502998902 /nfs/dbraw/zinc/99/89/02/502998902.db2.gz VRTYUPDKLSKVJK-PCCBWWKXSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679233 502998905 /nfs/dbraw/zinc/99/89/05/502998905.db2.gz VRTYUPDKLSKVJK-PCCBWWKXSA-N 1 3 357.542 3.039 20 0 FGADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513679233 502998908 /nfs/dbraw/zinc/99/89/08/502998908.db2.gz VRTYUPDKLSKVJK-PCCBWWKXSA-N 1 3 357.542 3.039 20 0 FGADHO CN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713835 503007122 /nfs/dbraw/zinc/00/71/22/503007122.db2.gz UQWDBYJZEPUOGU-VABKMULXSA-N 1 3 370.585 3.051 20 0 FGADHO CN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713837 503007641 /nfs/dbraw/zinc/00/76/41/503007641.db2.gz UQWDBYJZEPUOGU-XPWALMASSA-N 1 3 370.585 3.051 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCCC[C@H]1C ZINC000501532202 503030636 /nfs/dbraw/zinc/03/06/36/503030636.db2.gz NARIMQZTUNZJPA-MSOLQXFVSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCCC[C@H]1C ZINC000501532202 503030640 /nfs/dbraw/zinc/03/06/40/503030640.db2.gz NARIMQZTUNZJPA-MSOLQXFVSA-N 1 3 352.567 3.203 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000501550990 503035880 /nfs/dbraw/zinc/03/58/80/503035880.db2.gz MEBHAPUNWUHKNE-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO CCC1(CNC(=O)NC[C@H]2CCCN2C)CC[NH+](Cc2ccccc2)CC1 ZINC000514016408 503069808 /nfs/dbraw/zinc/06/98/08/503069808.db2.gz WDAAMOOXWWSMHI-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305150 503089023 /nfs/dbraw/zinc/08/90/23/503089023.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305150 503089028 /nfs/dbraw/zinc/08/90/28/503089028.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 1 3 372.557 3.069 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000510366236 503100312 /nfs/dbraw/zinc/10/03/12/503100312.db2.gz XKIMCHPCFZADQJ-FQEVSTJZSA-N 1 3 372.557 3.122 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000490185705 503125865 /nfs/dbraw/zinc/12/58/65/503125865.db2.gz ZNHNQEBRUOZIEZ-RXVVDRJESA-N 1 3 374.573 3.407 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000514564278 503137471 /nfs/dbraw/zinc/13/74/71/503137471.db2.gz DOROGNAVHJUWPT-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929531 503195972 /nfs/dbraw/zinc/19/59/72/503195972.db2.gz GCZAMODEXHFBLJ-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929531 503195974 /nfs/dbraw/zinc/19/59/74/503195974.db2.gz GCZAMODEXHFBLJ-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502432140 503198719 /nfs/dbraw/zinc/19/87/19/503198719.db2.gz QRDQWJRFROFRER-SJBKTWHCSA-N 1 3 355.526 3.181 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000507090686 503228349 /nfs/dbraw/zinc/22/83/49/503228349.db2.gz VDLTYOKUNBODFZ-PMACEKPBSA-N 1 3 360.546 3.061 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490863603 503237995 /nfs/dbraw/zinc/23/79/95/503237995.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490863603 503237997 /nfs/dbraw/zinc/23/79/97/503237997.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706709 503255345 /nfs/dbraw/zinc/25/53/45/503255345.db2.gz IJTZBBUPOXBXFU-KNQAVFIVSA-N 1 3 359.558 3.119 20 0 FGADHO Cc1cc([C@@H](C)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1C ZINC000502709063 503255977 /nfs/dbraw/zinc/25/59/77/503255977.db2.gz SOLCZHPUQSXRKO-HXUWFJFHSA-N 1 3 369.557 3.290 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)N(C)C1CC1 ZINC000502797493 503274984 /nfs/dbraw/zinc/27/49/84/503274984.db2.gz YMNMAOJZTNEEGV-MSOLQXFVSA-N 1 3 372.557 3.432 20 0 FGADHO C[C@@H](CNCCC(=O)Nc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000515165928 503282769 /nfs/dbraw/zinc/28/27/69/503282769.db2.gz PGNGRTPDDSIIQP-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000515165928 503282771 /nfs/dbraw/zinc/28/27/71/503282771.db2.gz PGNGRTPDDSIIQP-AWEZNQCLSA-N 1 3 357.420 3.356 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)c1 ZINC000507460296 503302507 /nfs/dbraw/zinc/30/25/07/503302507.db2.gz HVPKLELOOKWTQU-SFTDATJTSA-N 1 3 359.558 3.302 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418874 503318150 /nfs/dbraw/zinc/31/81/50/503318150.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418874 503318153 /nfs/dbraw/zinc/31/81/53/503318153.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 1 3 364.578 3.202 20 0 FGADHO CN(CCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccncc1 ZINC000515417600 503334634 /nfs/dbraw/zinc/33/46/34/503334634.db2.gz ZLVOIZDSJRFCQL-KRWDZBQOSA-N 1 3 374.916 3.023 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[N@H+](C)C1CC1 ZINC000511562918 503344073 /nfs/dbraw/zinc/34/40/73/503344073.db2.gz XFXRSVABDWITCM-PXNSSMCTSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[N@@H+](C)C1CC1 ZINC000511562918 503344077 /nfs/dbraw/zinc/34/40/77/503344077.db2.gz XFXRSVABDWITCM-PXNSSMCTSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000503093942 503345091 /nfs/dbraw/zinc/34/50/91/503345091.db2.gz ZSDJFZLYXKNKOR-HLAWJBBLSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000503093942 503345098 /nfs/dbraw/zinc/34/50/98/503345098.db2.gz ZSDJFZLYXKNKOR-HLAWJBBLSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480694 503347047 /nfs/dbraw/zinc/34/70/47/503347047.db2.gz UFNANGDMONGKON-IAGOWNOFSA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480694 503347050 /nfs/dbraw/zinc/34/70/50/503347050.db2.gz UFNANGDMONGKON-IAGOWNOFSA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480694 503347053 /nfs/dbraw/zinc/34/70/53/503347053.db2.gz UFNANGDMONGKON-IAGOWNOFSA-N 1 3 365.949 3.397 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNC/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929252 503417382 /nfs/dbraw/zinc/41/73/82/503417382.db2.gz ZJPSEACYZWIMKX-LLHWWHOWSA-N 1 3 358.432 3.334 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNC/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929252 503417387 /nfs/dbraw/zinc/41/73/87/503417387.db2.gz ZJPSEACYZWIMKX-LLHWWHOWSA-N 1 3 358.432 3.334 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457239 /nfs/dbraw/zinc/45/72/39/503457239.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457241 /nfs/dbraw/zinc/45/72/41/503457241.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695285 503459292 /nfs/dbraw/zinc/45/92/92/503459292.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695285 503459297 /nfs/dbraw/zinc/45/92/97/503459297.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N2CCN(C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741730 503467599 /nfs/dbraw/zinc/46/75/99/503467599.db2.gz XURVCIDJSWBMDK-RTBURBONSA-N 1 3 372.557 3.386 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990777 503471534 /nfs/dbraw/zinc/47/15/34/503471534.db2.gz DCOLTAFITWCBHW-HXUWFJFHSA-N 1 3 359.514 3.364 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C)CC1 ZINC000512158226 503472692 /nfs/dbraw/zinc/47/26/92/503472692.db2.gz BQWDVMGVOWGLAN-IBGZPJMESA-N 1 3 357.542 3.340 20 0 FGADHO CC(C)CC(CC(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000508390566 503486657 /nfs/dbraw/zinc/48/66/57/503486657.db2.gz GLHRXUIYUIXBJJ-UHFFFAOYSA-N 1 3 366.594 3.305 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719399 503550432 /nfs/dbraw/zinc/55/04/32/503550432.db2.gz PIBFTLGYQORWSV-DFQSSKMNSA-N 1 3 352.478 3.327 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C ZINC000500130644 503561509 /nfs/dbraw/zinc/56/15/09/503561509.db2.gz KSEYJUOXYLWTNU-OXKPJDFFSA-N 1 3 374.573 3.406 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000500154751 503566041 /nfs/dbraw/zinc/56/60/41/503566041.db2.gz HYKYIUHFZHHUCJ-FQEVSTJZSA-N 1 3 366.594 3.262 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500154751 503566046 /nfs/dbraw/zinc/56/60/46/503566046.db2.gz HYKYIUHFZHHUCJ-FQEVSTJZSA-N 1 3 366.594 3.262 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000504434302 503573645 /nfs/dbraw/zinc/57/36/45/503573645.db2.gz MRSUFSBLEHNLBO-IBGZPJMESA-N 1 3 362.562 3.267 20 0 FGADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000494644642 503581872 /nfs/dbraw/zinc/58/18/72/503581872.db2.gz DBOJAQGPZBBZGC-QZNJRLLKSA-N 1 3 358.526 3.092 20 0 FGADHO CSc1ccc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000500244779 503587294 /nfs/dbraw/zinc/58/72/94/503587294.db2.gz JRFMHUDJVKNKQQ-JXFKEZNVSA-N 1 3 371.550 3.478 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000508904941 503596136 /nfs/dbraw/zinc/59/61/36/503596136.db2.gz JFFCHSNOMKDSGC-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)N(C)C ZINC000508908436 503597242 /nfs/dbraw/zinc/59/72/42/503597242.db2.gz SLOFVZOENZZDTI-ICSRJNTNSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000517095667 503666954 /nfs/dbraw/zinc/66/69/54/503666954.db2.gz BAHRIFCVGZCNBU-OALUTQOASA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)(C)[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969619 503680712 /nfs/dbraw/zinc/68/07/12/503680712.db2.gz LUWGCYMHSXDGEQ-FQEVSTJZSA-N 1 3 357.542 3.409 20 0 FGADHO CCCOc1cncc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000529841466 503730436 /nfs/dbraw/zinc/73/04/36/503730436.db2.gz BSSWSYKLSLIYOZ-UHFFFAOYSA-N 1 3 374.529 3.005 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000543381375 503746497 /nfs/dbraw/zinc/74/64/97/503746497.db2.gz XSIUQFXQIXPVES-FQEVSTJZSA-N 1 3 374.573 3.333 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541701 503767403 /nfs/dbraw/zinc/76/74/03/503767403.db2.gz QOOUNNPAJXJRMB-ICSRJNTNSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543644264 503840140 /nfs/dbraw/zinc/84/01/40/503840140.db2.gz HOYIWHHTUFPMBW-QRVBRYPASA-N 1 3 366.594 3.116 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762213 503883711 /nfs/dbraw/zinc/88/37/11/503883711.db2.gz ISNZKCFPDVAAFX-PABCKOPISA-N 1 3 368.521 3.321 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527675865 503890193 /nfs/dbraw/zinc/89/01/93/503890193.db2.gz PLQOCXNVTNAYDH-OAQYLSRUSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527675865 503890194 /nfs/dbraw/zinc/89/01/94/503890194.db2.gz PLQOCXNVTNAYDH-OAQYLSRUSA-N 1 3 372.557 3.343 20 0 FGADHO CCc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540788150 503893102 /nfs/dbraw/zinc/89/31/02/503893102.db2.gz YVVRDDCEIFPNMM-GCJKJVERSA-N 1 3 367.537 3.189 20 0 FGADHO Fc1cccc(N2CCCC2)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249042 503894608 /nfs/dbraw/zinc/89/46/08/503894608.db2.gz SUPFZSFSPPKWRC-SFHVURJKSA-N 1 3 361.505 3.016 20 0 FGADHO CN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527708773 503906538 /nfs/dbraw/zinc/90/65/38/503906538.db2.gz ATYFQEVGONXNII-FCHUYYIVSA-N 1 3 369.553 3.135 20 0 FGADHO CN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527708773 503906542 /nfs/dbraw/zinc/90/65/42/503906542.db2.gz ATYFQEVGONXNII-FCHUYYIVSA-N 1 3 369.553 3.135 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@@]12CCCO2 ZINC000546870280 503909572 /nfs/dbraw/zinc/90/95/72/503909572.db2.gz FGYGTLRJLRUQMZ-CYRMBFQRSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@]12CCCO2 ZINC000546870280 503909579 /nfs/dbraw/zinc/90/95/79/503909579.db2.gz FGYGTLRJLRUQMZ-CYRMBFQRSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@]12CCCO2 ZINC000546870280 503909582 /nfs/dbraw/zinc/90/95/82/503909582.db2.gz FGYGTLRJLRUQMZ-CYRMBFQRSA-N 1 3 370.537 3.213 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CCCC3(C)C)CC2)CC1 ZINC000527729849 503918207 /nfs/dbraw/zinc/91/82/07/503918207.db2.gz YVJVHRNEHGTIEP-KRWDZBQOSA-N 1 3 364.578 3.061 20 0 FGADHO CN(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1 ZINC000533809775 503957946 /nfs/dbraw/zinc/95/79/46/503957946.db2.gz WEZZPNLULLLQCR-FQEVSTJZSA-N 1 3 374.573 3.113 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000541109500 504010619 /nfs/dbraw/zinc/01/06/19/504010619.db2.gz KSPIBOMJGLXOKH-SFHVURJKSA-N 1 3 364.578 3.180 20 0 FGADHO C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002311 504034277 /nfs/dbraw/zinc/03/42/77/504034277.db2.gz IJRPQVWWGGPNMJ-IIBYNOLFSA-N 1 3 367.493 3.105 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000528008702 504038475 /nfs/dbraw/zinc/03/84/75/504038475.db2.gz XAKAXRMFHXAZAM-WTNAPCKOSA-N 1 3 363.505 3.314 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000528008702 504038480 /nfs/dbraw/zinc/03/84/80/504038480.db2.gz XAKAXRMFHXAZAM-WTNAPCKOSA-N 1 3 363.505 3.314 20 0 FGADHO Cc1ccc(C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C2CC2)cc1 ZINC000537944774 504091949 /nfs/dbraw/zinc/09/19/49/504091949.db2.gz NKXAOUDORWFQQF-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO Cc1cccc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C)c1 ZINC000530919861 504130682 /nfs/dbraw/zinc/13/06/82/504130682.db2.gz MHKQDKQVFJOVOB-LJQANCHMSA-N 1 3 362.562 3.217 20 0 FGADHO Cc1ccc(C)c(OCCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000544489479 504153011 /nfs/dbraw/zinc/15/30/11/504153011.db2.gz PXSFHDVSDQGERO-UHFFFAOYSA-N 1 3 373.585 3.422 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633605 504162311 /nfs/dbraw/zinc/16/23/11/504162311.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000547633605 504162318 /nfs/dbraw/zinc/16/23/18/504162318.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000531118531 504194504 /nfs/dbraw/zinc/19/45/04/504194504.db2.gz SUVGGOKDGWZFBM-UHFFFAOYSA-N 1 3 355.482 3.044 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519361822 504202248 /nfs/dbraw/zinc/20/22/48/504202248.db2.gz FJNSQSRFRKEFDC-PKOBYXMFSA-N 1 3 361.505 3.028 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531147520 504206995 /nfs/dbraw/zinc/20/69/95/504206995.db2.gz RYNAKEYCBIPIAN-QGZVFWFLSA-N 1 3 359.514 3.350 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531147520 504206998 /nfs/dbraw/zinc/20/69/98/504206998.db2.gz RYNAKEYCBIPIAN-QGZVFWFLSA-N 1 3 359.514 3.350 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCc2ccncc2)CC1 ZINC000541761585 504244753 /nfs/dbraw/zinc/24/47/53/504244753.db2.gz IDQUKEWIYBBFKH-UHFFFAOYSA-N 1 3 352.526 3.288 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCc2ccncc2)CC1 ZINC000541761585 504244757 /nfs/dbraw/zinc/24/47/57/504244757.db2.gz IDQUKEWIYBBFKH-UHFFFAOYSA-N 1 3 352.526 3.288 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)CCN(C)c2ccncc2)cc1 ZINC000541858171 504279437 /nfs/dbraw/zinc/27/94/37/504279437.db2.gz UMFRSWFDPAYHIO-UHFFFAOYSA-N 1 3 354.498 3.066 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000519639738 504285323 /nfs/dbraw/zinc/28/53/23/504285323.db2.gz DKAGCLUAABHDIQ-FDRBHKFBSA-N 1 3 371.569 3.163 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCc4ccc(C)cc43)CC2)CC1 ZINC000519712355 504312670 /nfs/dbraw/zinc/31/26/70/504312670.db2.gz TVRNJQRNWUAQII-UHFFFAOYSA-N 1 3 369.553 3.471 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320608 /nfs/dbraw/zinc/32/06/08/504320608.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320610 /nfs/dbraw/zinc/32/06/10/504320610.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 1 3 360.546 3.021 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000531531989 504336314 /nfs/dbraw/zinc/33/63/14/504336314.db2.gz MXFMAJOIXNWMIS-HXUWFJFHSA-N 1 3 358.574 3.040 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000548189460 504364204 /nfs/dbraw/zinc/36/42/04/504364204.db2.gz UTVWVYYCSLXDMC-IBGZPJMESA-N 1 3 374.573 3.022 20 0 FGADHO CC(C)[C@@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923810 504385302 /nfs/dbraw/zinc/38/53/02/504385302.db2.gz PPLHRCOVLWKYIW-LJQANCHMSA-N 1 3 366.594 3.259 20 0 FGADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680472 504391117 /nfs/dbraw/zinc/39/11/17/504391117.db2.gz AMOYMCGQXCDKRE-AWEZNQCLSA-N 1 3 370.335 3.488 20 0 FGADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680472 504391122 /nfs/dbraw/zinc/39/11/22/504391122.db2.gz AMOYMCGQXCDKRE-AWEZNQCLSA-N 1 3 370.335 3.488 20 0 FGADHO C[C@H]1CCC[C@](CNC(=O)N2CCCN(C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192373 504431494 /nfs/dbraw/zinc/43/14/94/504431494.db2.gz OYCSAFZQFJMLJG-PXNSSMCTSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075804 504466063 /nfs/dbraw/zinc/46/60/63/504466063.db2.gz LMTUHSTWIQORQR-ZACQAIPSSA-N 1 3 359.514 3.111 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936865 504480024 /nfs/dbraw/zinc/48/00/24/504480024.db2.gz ITBCEWSRIWZVON-XLIONFOSSA-N 1 3 361.530 3.262 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531983913 504494281 /nfs/dbraw/zinc/49/42/81/504494281.db2.gz MHFDNTVTDPZNJY-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000531983913 504494285 /nfs/dbraw/zinc/49/42/85/504494285.db2.gz MHFDNTVTDPZNJY-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000542485954 504509884 /nfs/dbraw/zinc/50/98/84/504509884.db2.gz VLSRNJGGAUZYHK-OAHLLOKOSA-N 1 3 371.447 3.333 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)Nc2ccccn2)CC1 ZINC000520503632 504515109 /nfs/dbraw/zinc/51/51/09/504515109.db2.gz LXLQTAJOBPSWIP-SFHVURJKSA-N 1 3 366.509 3.095 20 0 FGADHO C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971089 504618943 /nfs/dbraw/zinc/61/89/43/504618943.db2.gz BUBCMRQHAKEZII-LEWJYISDSA-N 1 3 369.553 3.087 20 0 FGADHO C[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971089 504618948 /nfs/dbraw/zinc/61/89/48/504618948.db2.gz BUBCMRQHAKEZII-LEWJYISDSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCC1 ZINC000532454329 504656402 /nfs/dbraw/zinc/65/64/02/504656402.db2.gz MGIATOIESOFOEW-AWEZNQCLSA-N 1 3 357.420 3.498 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCC1 ZINC000532454329 504656409 /nfs/dbraw/zinc/65/64/09/504656409.db2.gz MGIATOIESOFOEW-AWEZNQCLSA-N 1 3 357.420 3.498 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700822 /nfs/dbraw/zinc/70/08/22/504700822.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 1 3 374.481 3.390 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700827 /nfs/dbraw/zinc/70/08/27/504700827.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 1 3 374.481 3.390 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701124 /nfs/dbraw/zinc/70/11/24/504701124.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 1 3 374.481 3.390 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701129 /nfs/dbraw/zinc/70/11/29/504701129.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 1 3 374.481 3.390 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000539890770 504731292 /nfs/dbraw/zinc/73/12/92/504731292.db2.gz MMINEEQLQZNTHB-IRLDBZIGSA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000539890770 504731298 /nfs/dbraw/zinc/73/12/98/504731298.db2.gz MMINEEQLQZNTHB-IRLDBZIGSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899339 504735037 /nfs/dbraw/zinc/73/50/37/504735037.db2.gz DRFQOPILYOGUIM-TZIWHRDSSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000539899339 504735040 /nfs/dbraw/zinc/73/50/40/504735040.db2.gz DRFQOPILYOGUIM-TZIWHRDSSA-N 1 3 371.569 3.466 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1CN1CCCCC1)CC(C)C ZINC000521522323 504752269 /nfs/dbraw/zinc/75/22/69/504752269.db2.gz XZGVGXFNVZQILB-WOJBJXKFSA-N 1 3 366.594 3.403 20 0 FGADHO C[C@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091513 504779507 /nfs/dbraw/zinc/77/95/07/504779507.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091513 504779513 /nfs/dbraw/zinc/77/95/13/504779513.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 1 3 357.542 3.420 20 0 FGADHO COc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c(OC)c1 ZINC000565046903 504780659 /nfs/dbraw/zinc/78/06/59/504780659.db2.gz XFSNGVJULKUCOW-GASCZTMLSA-N 1 3 373.522 3.259 20 0 FGADHO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000552922994 504789149 /nfs/dbraw/zinc/78/91/49/504789149.db2.gz DDMOVWBIDAJNOH-OXQOHEQNSA-N 1 3 360.473 3.020 20 0 FGADHO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343511 504796365 /nfs/dbraw/zinc/79/63/65/504796365.db2.gz CKTNHMWWZSHBIZ-YADHBBJMSA-N 1 3 363.505 3.110 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402796 504810698 /nfs/dbraw/zinc/81/06/98/504810698.db2.gz CAVXXYRHUKBCGM-OAQYLSRUSA-N 1 3 370.541 3.328 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556202821 504819734 /nfs/dbraw/zinc/81/97/34/504819734.db2.gz DAHPAWSHHLOINU-ZIBCJSCZSA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556202821 504819736 /nfs/dbraw/zinc/81/97/36/504819736.db2.gz DAHPAWSHHLOINU-ZIBCJSCZSA-N 1 3 357.542 3.039 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556202821 504819740 /nfs/dbraw/zinc/81/97/40/504819740.db2.gz DAHPAWSHHLOINU-ZIBCJSCZSA-N 1 3 357.542 3.039 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)CN1CCCC1 ZINC000549523469 504841675 /nfs/dbraw/zinc/84/16/75/504841675.db2.gz ULAMKGICCROHGU-FUHWJXTLSA-N 1 3 367.331 3.263 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000565299495 504848304 /nfs/dbraw/zinc/84/83/04/504848304.db2.gz IMQKSJVWRGOUTD-HXUWFJFHSA-N 1 3 356.510 3.432 20 0 FGADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356102 504863885 /nfs/dbraw/zinc/86/38/85/504863885.db2.gz TYOJBJWJYZLIDO-IFMALSPDSA-N 1 3 358.526 3.408 20 0 FGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356102 504863888 /nfs/dbraw/zinc/86/38/88/504863888.db2.gz TYOJBJWJYZLIDO-IFMALSPDSA-N 1 3 358.526 3.408 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000562615097 504880099 /nfs/dbraw/zinc/88/00/99/504880099.db2.gz CZXZZHAKPBHPHH-UXHICEINSA-N 1 3 370.541 3.219 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774295 504926887 /nfs/dbraw/zinc/92/68/87/504926887.db2.gz POTNCQFKXGAWJT-VLOYRQLPSA-N 1 3 358.592 3.080 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000565757696 504978562 /nfs/dbraw/zinc/97/85/62/504978562.db2.gz CZHMYARAKDOKAP-LRSLUSHPSA-N 1 3 358.526 3.215 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](NCCOC[C@@H]3CCCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000565757696 504978566 /nfs/dbraw/zinc/97/85/66/504978566.db2.gz CZHMYARAKDOKAP-LRSLUSHPSA-N 1 3 358.526 3.215 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000553708646 504988598 /nfs/dbraw/zinc/98/85/98/504988598.db2.gz XLDFRHPHDBLCFJ-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998226 /nfs/dbraw/zinc/99/82/26/504998226.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 1 3 369.431 3.452 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998230 /nfs/dbraw/zinc/99/82/30/504998230.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 1 3 369.431 3.452 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 ZINC000562962876 505000967 /nfs/dbraw/zinc/00/09/67/505000967.db2.gz XDXIGHFFDMBBKD-FVJLHALJSA-N 1 3 371.504 3.130 20 0 FGADHO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556884091 505005486 /nfs/dbraw/zinc/00/54/86/505005486.db2.gz PIZLLRBUUAFKHK-QHAWAJNXSA-N 1 3 367.541 3.121 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781838 505008044 /nfs/dbraw/zinc/00/80/44/505008044.db2.gz GLRUXNINTZMFDW-NJNPRVFISA-N 1 3 369.553 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781838 505008046 /nfs/dbraw/zinc/00/80/46/505008046.db2.gz GLRUXNINTZMFDW-NJNPRVFISA-N 1 3 369.553 3.473 20 0 FGADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000565945158 505035306 /nfs/dbraw/zinc/03/53/06/505035306.db2.gz XTNLLXQEJQNTND-BRWVUGGUSA-N 1 3 360.889 3.443 20 0 FGADHO CC[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCc2ccccc2C1 ZINC000563093018 505045848 /nfs/dbraw/zinc/04/58/48/505045848.db2.gz WLALNQKDLGDIGT-STQRKRGESA-N 1 3 369.553 3.093 20 0 FGADHO CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCC(C)CC1 ZINC000557051527 505054589 /nfs/dbraw/zinc/05/45/89/505054589.db2.gz IQOSMRWODMRVAY-IBGZPJMESA-N 1 3 374.529 3.047 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199778 505091609 /nfs/dbraw/zinc/09/16/09/505091609.db2.gz IEKIIXJTGRRTOU-GOSISDBHSA-N 1 3 366.937 3.022 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000566185465 505106777 /nfs/dbraw/zinc/10/67/77/505106777.db2.gz IOFCZDBFPQPICQ-OAHLLOKOSA-N 1 3 355.910 3.243 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000554192600 505113225 /nfs/dbraw/zinc/11/32/25/505113225.db2.gz ZYFJOVPEAAUPPT-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000554192600 505113226 /nfs/dbraw/zinc/11/32/26/505113226.db2.gz ZYFJOVPEAAUPPT-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1Br ZINC000560528448 505115829 /nfs/dbraw/zinc/11/58/29/505115829.db2.gz FYYWIFOSYQVSSW-NUEKZKHPSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1Br ZINC000560528448 505115830 /nfs/dbraw/zinc/11/58/30/505115830.db2.gz FYYWIFOSYQVSSW-NUEKZKHPSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1Br ZINC000560528448 505115831 /nfs/dbraw/zinc/11/58/31/505115831.db2.gz FYYWIFOSYQVSSW-NUEKZKHPSA-N 1 3 353.304 3.420 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@]1(C)CCCO1 ZINC000550886270 505119899 /nfs/dbraw/zinc/11/98/99/505119899.db2.gz GOXICPJAUZGACQ-IRLDBZIGSA-N 1 3 359.558 3.132 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000563499112 505157443 /nfs/dbraw/zinc/15/74/43/505157443.db2.gz MVVPRJQVHWTHLP-IAGOWNOFSA-N 1 3 358.530 3.212 20 0 FGADHO COc1ccc(CCNC2CC[NH+](CC3CC3)CC2)c(Cl)c1OC ZINC000551239585 505183495 /nfs/dbraw/zinc/18/34/95/505183495.db2.gz WQGCDSYFYFFLAO-UHFFFAOYSA-N 1 3 352.906 3.364 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557634598 505188657 /nfs/dbraw/zinc/18/86/57/505188657.db2.gz LGSKFRRGPDTOHT-IBGZPJMESA-N 1 3 371.550 3.160 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557634598 505188659 /nfs/dbraw/zinc/18/86/59/505188659.db2.gz LGSKFRRGPDTOHT-IBGZPJMESA-N 1 3 371.550 3.160 20 0 FGADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1nnc2n1CCCCC2 ZINC000560908172 505209398 /nfs/dbraw/zinc/20/93/98/505209398.db2.gz RABOTLXIFKCPME-UHFFFAOYSA-N 1 3 359.562 3.324 20 0 FGADHO C(CNC1CC[NH+](C2CCCCC2)CC1)Cc1nnc2n1CCCCC2 ZINC000560908172 505209401 /nfs/dbraw/zinc/20/94/01/505209401.db2.gz RABOTLXIFKCPME-UHFFFAOYSA-N 1 3 359.562 3.324 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812180 505236428 /nfs/dbraw/zinc/23/64/28/505236428.db2.gz NEWZPNJSDXZUNU-RMVXJAJNSA-N 1 3 370.541 3.090 20 0 FGADHO CC(C)[C@@]1(CO)CCCN(CC[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242560 /nfs/dbraw/zinc/24/25/60/505242560.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@@]1(CO)CCCN(CC[C@@H](C)[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242564 /nfs/dbraw/zinc/24/25/64/505242564.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@@]1(CO)CCCN([C@H](C)CC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242570 /nfs/dbraw/zinc/24/25/70/505242570.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@@]1(CO)CCCN([C@H](C)CC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242573 /nfs/dbraw/zinc/24/25/73/505242573.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 1 3 368.606 3.226 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554856267 505282762 /nfs/dbraw/zinc/28/27/62/505282762.db2.gz NOQJUQQNNYJOPJ-UYAOXDASSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856267 505282765 /nfs/dbraw/zinc/28/27/65/505282765.db2.gz NOQJUQQNNYJOPJ-UYAOXDASSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856267 505282771 /nfs/dbraw/zinc/28/27/71/505282771.db2.gz NOQJUQQNNYJOPJ-UYAOXDASSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012322 505285478 /nfs/dbraw/zinc/28/54/78/505285478.db2.gz POFWCCPBWPXZQZ-IPJJNNNSSA-N 1 3 369.553 3.475 20 0 FGADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000558083696 505303879 /nfs/dbraw/zinc/30/38/79/505303879.db2.gz KPLIMWOHNJJDLS-ROUUACIJSA-N 1 3 368.562 3.177 20 0 FGADHO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000566914599 505310083 /nfs/dbraw/zinc/31/00/83/505310083.db2.gz AUYYZGLUKIVKBZ-UHFFFAOYSA-N 1 3 369.553 3.319 20 0 FGADHO O=C(Nc1ccccc1)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566919635 505311687 /nfs/dbraw/zinc/31/16/87/505311687.db2.gz UACHECUFGKEGLA-UHFFFAOYSA-N 1 3 364.493 3.118 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cc1O ZINC000554998230 505324173 /nfs/dbraw/zinc/32/41/73/505324173.db2.gz XIIRTIQIDPNUSP-MRXNPFEDSA-N 1 3 358.482 3.235 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000567042031 505346338 /nfs/dbraw/zinc/34/63/38/505346338.db2.gz YINAMTPOZXBFFX-OAQYLSRUSA-N 1 3 374.573 3.174 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)N(C)C)cc1 ZINC000558346840 505364561 /nfs/dbraw/zinc/36/45/61/505364561.db2.gz DDKWMWQZWLIKHA-YYWHXJBOSA-N 1 3 372.557 3.120 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(C2CCCC2)s1 ZINC000567148427 505377833 /nfs/dbraw/zinc/37/78/33/505377833.db2.gz RJGBKOATKJOGCK-UHFFFAOYSA-N 1 3 350.576 3.259 20 0 FGADHO C[NH+](C)CCOc1cnccc1CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000567201358 505392738 /nfs/dbraw/zinc/39/27/38/505392738.db2.gz UBRJTNVISISAAD-UHFFFAOYSA-N 1 3 361.436 3.336 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637475 505396549 /nfs/dbraw/zinc/39/65/49/505396549.db2.gz FBYRPQQVOUZTOM-CRAIPNDOSA-N 1 3 368.953 3.362 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cn1C ZINC000564377320 505400014 /nfs/dbraw/zinc/40/00/14/505400014.db2.gz HMMFNQORWQEZGM-UHFFFAOYSA-N 1 3 369.509 3.333 20 0 FGADHO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000567241580 505404952 /nfs/dbraw/zinc/40/49/52/505404952.db2.gz ZVRIFMWTZYYGCR-QGZVFWFLSA-N 1 3 369.509 3.088 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000567242991 505405727 /nfs/dbraw/zinc/40/57/27/505405727.db2.gz HQKIQUROUDMXFJ-SFHVURJKSA-N 1 3 366.937 3.115 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000561784853 505436784 /nfs/dbraw/zinc/43/67/84/505436784.db2.gz LKRQRCVNCJXDJP-VQTJNVASSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000561784853 505436788 /nfs/dbraw/zinc/43/67/88/505436788.db2.gz LKRQRCVNCJXDJP-VQTJNVASSA-N 1 3 369.553 3.444 20 0 FGADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552250240 505440695 /nfs/dbraw/zinc/44/06/95/505440695.db2.gz YZAWRCODWPZIJX-YPAWHYETSA-N 1 3 352.526 3.472 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451117 /nfs/dbraw/zinc/45/11/17/505451117.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451120 /nfs/dbraw/zinc/45/11/20/505451120.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 1 3 357.542 3.420 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000567454686 505468536 /nfs/dbraw/zinc/46/85/36/505468536.db2.gz UHUDKBGPKSDUNX-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976444 505483187 /nfs/dbraw/zinc/48/31/87/505483187.db2.gz FUKMJPSPMDWWRB-MRXNPFEDSA-N 1 3 363.933 3.265 20 0 FGADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642337 505522734 /nfs/dbraw/zinc/52/27/34/505522734.db2.gz JMFLHGGZWFLHSY-RTBURBONSA-N 1 3 366.461 3.198 20 0 FGADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642335 505522853 /nfs/dbraw/zinc/52/28/53/505522853.db2.gz JMFLHGGZWFLHSY-OALUTQOASA-N 1 3 366.461 3.198 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000564802278 505524368 /nfs/dbraw/zinc/52/43/68/505524368.db2.gz ZJMVWSORWAMVKH-AVRDEDQJSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000564802278 505524372 /nfs/dbraw/zinc/52/43/72/505524372.db2.gz ZJMVWSORWAMVKH-AVRDEDQJSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000567709845 505545268 /nfs/dbraw/zinc/54/52/68/505545268.db2.gz ATGLGYFVBPPGIK-ZDUSSCGKSA-N 1 3 355.404 3.274 20 0 FGADHO C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CCN(C)CC1 ZINC000567710892 505545740 /nfs/dbraw/zinc/54/57/40/505545740.db2.gz UXTNRFPKVOAJRW-ZDUSSCGKSA-N 1 3 366.303 3.018 20 0 FGADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969104 505564530 /nfs/dbraw/zinc/56/45/30/505564530.db2.gz RAUGPNPAQGRCCF-GOSISDBHSA-N 1 3 369.534 3.125 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000567819463 505565721 /nfs/dbraw/zinc/56/57/21/505565721.db2.gz MBZFZJQYBJOCOY-SFHVURJKSA-N 1 3 360.527 3.089 20 0 FGADHO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000608061216 506403415 /nfs/dbraw/zinc/40/34/15/506403415.db2.gz HENCYMBJRDEGAW-AEFFLSMTSA-N 1 3 355.482 3.242 20 0 FGADHO Oc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860928 506458768 /nfs/dbraw/zinc/45/87/68/506458768.db2.gz NCSATCJNKBHPBR-IRLDBZIGSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860928 506458776 /nfs/dbraw/zinc/45/87/76/506458776.db2.gz NCSATCJNKBHPBR-IRLDBZIGSA-N 1 3 352.478 3.126 20 0 FGADHO COc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)c(C)c1OC ZINC000582927503 506493093 /nfs/dbraw/zinc/49/30/93/506493093.db2.gz KHGGDIFPIAAFRW-UHFFFAOYSA-N 1 3 355.482 3.413 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000596652619 506513496 /nfs/dbraw/zinc/51/34/96/506513496.db2.gz VZIQHMKJPMPVSI-LBPRGKRZSA-N 1 3 359.297 3.404 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000583033601 506551967 /nfs/dbraw/zinc/55/19/67/506551967.db2.gz JNYRKKYXVGKBJH-MRXNPFEDSA-N 1 3 371.516 3.124 20 0 FGADHO CN1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614954 /nfs/dbraw/zinc/61/49/54/506614954.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 1 3 363.509 3.031 20 0 FGADHO CN1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614958 /nfs/dbraw/zinc/61/49/58/506614958.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 1 3 363.509 3.031 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645613 506645638 /nfs/dbraw/zinc/64/56/38/506645638.db2.gz QAKDVLUUKLHNTL-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCc1ccc([C@@H](C)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000589947528 506685800 /nfs/dbraw/zinc/68/58/00/506685800.db2.gz KMJHRDQACDBTIE-WIYYLYMNSA-N 1 3 359.558 3.227 20 0 FGADHO CCc1ccc([C@@H](C)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000589947528 506685805 /nfs/dbraw/zinc/68/58/05/506685805.db2.gz KMJHRDQACDBTIE-WIYYLYMNSA-N 1 3 359.558 3.227 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604080014 506706917 /nfs/dbraw/zinc/70/69/17/506706917.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604080014 506706927 /nfs/dbraw/zinc/70/69/27/506706927.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000604080634 506707538 /nfs/dbraw/zinc/70/75/38/506707538.db2.gz LVVNZZIRMDXGTP-FQEVSTJZSA-N 1 3 360.546 3.069 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000583348831 506729355 /nfs/dbraw/zinc/72/93/55/506729355.db2.gz HDIGZCMBQWLPKC-GJZGRUSLSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000583348831 506729372 /nfs/dbraw/zinc/72/93/72/506729372.db2.gz HDIGZCMBQWLPKC-GJZGRUSLSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000583348831 506729373 /nfs/dbraw/zinc/72/93/73/506729373.db2.gz HDIGZCMBQWLPKC-GJZGRUSLSA-N 1 3 367.921 3.386 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604173077 506736138 /nfs/dbraw/zinc/73/61/38/506736138.db2.gz HDTLDXDZDUIEDW-NJYVYQBISA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604173077 506736146 /nfs/dbraw/zinc/73/61/46/506736146.db2.gz HDTLDXDZDUIEDW-NJYVYQBISA-N 1 3 370.541 3.140 20 0 FGADHO C[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583938 506862630 /nfs/dbraw/zinc/86/26/30/506862630.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583938 506862634 /nfs/dbraw/zinc/86/26/34/506862634.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO CCC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000590637593 506891992 /nfs/dbraw/zinc/89/19/92/506891992.db2.gz WPYQJCVESCGWLN-FXAWDEMLSA-N 1 3 364.578 3.203 20 0 FGADHO CC(C)[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000591136775 507128520 /nfs/dbraw/zinc/12/85/20/507128520.db2.gz ZKUUFZZPCXKOSF-ZCNNSNEGSA-N 1 3 351.579 3.371 20 0 FGADHO CC(C)[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000591136775 507128530 /nfs/dbraw/zinc/12/85/30/507128530.db2.gz ZKUUFZZPCXKOSF-ZCNNSNEGSA-N 1 3 351.579 3.371 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000600888456 507161998 /nfs/dbraw/zinc/16/19/98/507161998.db2.gz WNXZDNKWPYYPHI-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000600888456 507162005 /nfs/dbraw/zinc/16/20/05/507162005.db2.gz WNXZDNKWPYYPHI-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591423166 507244271 /nfs/dbraw/zinc/24/42/71/507244271.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591423166 507244278 /nfs/dbraw/zinc/24/42/78/507244278.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 1 3 373.541 3.154 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000591538420 507281716 /nfs/dbraw/zinc/28/17/16/507281716.db2.gz RDRNEMBBZHUVOM-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000591538420 507281723 /nfs/dbraw/zinc/28/17/23/507281723.db2.gz RDRNEMBBZHUVOM-TZIWHRDSSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 ZINC000584358981 507300398 /nfs/dbraw/zinc/30/03/98/507300398.db2.gz NGTYZLCSDBCHDL-UHFFFAOYSA-N 1 3 363.571 3.261 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690751 507483398 /nfs/dbraw/zinc/48/33/98/507483398.db2.gz LMLQZOOZRKTTTM-RXVVDRJESA-N 1 3 372.557 3.243 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)n2c1CCCC2 ZINC000598638254 507528165 /nfs/dbraw/zinc/52/81/65/507528165.db2.gz CYMXBMWJDNJHIB-QGZVFWFLSA-N 1 3 361.530 3.213 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)n2c1CCCC2 ZINC000598638254 507528168 /nfs/dbraw/zinc/52/81/68/507528168.db2.gz CYMXBMWJDNJHIB-QGZVFWFLSA-N 1 3 361.530 3.213 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)n2c1CCCC2 ZINC000598640840 507529378 /nfs/dbraw/zinc/52/93/78/507529378.db2.gz OIANALJTKKYUBO-QGZVFWFLSA-N 1 3 361.530 3.355 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@H]2C)n2c1CCCC2 ZINC000598640840 507529388 /nfs/dbraw/zinc/52/93/88/507529388.db2.gz OIANALJTKKYUBO-QGZVFWFLSA-N 1 3 361.530 3.355 20 0 FGADHO CC(C)(C)N1CCC([NH2+]CCNc2ccc(-c3ccccc3)nn2)CC1 ZINC000513463970 516634530 /nfs/dbraw/zinc/63/45/30/516634530.db2.gz SELKWZDSGLRNGB-UHFFFAOYSA-N 1 3 353.514 3.408 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139747 568448290 /nfs/dbraw/zinc/44/82/90/568448290.db2.gz OCGCFYJKTHSASV-IAGOWNOFSA-N 1 3 364.534 3.225 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000154318882 705030772 /nfs/dbraw/zinc/03/07/72/705030772.db2.gz VFQZSDYHXZCMER-KRWDZBQOSA-N 1 3 353.963 3.494 20 0 FGADHO CC[C@H]([NH2+]CCCN(C)CCOC)c1cc(Br)ccc1[O-] ZINC000155113879 705063670 /nfs/dbraw/zinc/06/36/70/705063670.db2.gz HGOKHNNBKDSQHO-HNNXBMFYSA-N 1 3 359.308 3.164 20 0 FGADHO CC[C@H]([NH2+]CCCN(C)CCOC)c1cc(Br)ccc1O ZINC000155113879 705063677 /nfs/dbraw/zinc/06/36/77/705063677.db2.gz HGOKHNNBKDSQHO-HNNXBMFYSA-N 1 3 359.308 3.164 20 0 FGADHO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1CN1CCCCC1 ZINC000183011436 705874097 /nfs/dbraw/zinc/87/40/97/705874097.db2.gz HZCLOPQGKVIZDS-APWZRJJASA-N 1 3 366.571 3.446 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000271556266 713753459 /nfs/dbraw/zinc/75/34/59/713753459.db2.gz VVVSKRXCSVMADV-RCCFBDPRSA-N 1 3 350.503 3.330 20 0 FGADHO Cc1nnc([C@H](C)NCCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273624943 713754249 /nfs/dbraw/zinc/75/42/49/713754249.db2.gz REVMAOZXRUCBAD-QWRGUYRKSA-N 1 3 354.549 3.178 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1(C)C ZINC000623405552 715328732 /nfs/dbraw/zinc/32/87/32/715328732.db2.gz NLNUTTUZOKUQRP-OALUTQOASA-N 1 3 365.949 3.176 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000624122863 715477705 /nfs/dbraw/zinc/47/77/05/715477705.db2.gz AEOALGZYLCYTKN-RDJZCZTQSA-N 1 3 350.503 3.485 20 0 FGADHO Cc1cc(Br)ccc1[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580384 716311087 /nfs/dbraw/zinc/31/10/87/716311087.db2.gz ABYNPRIABRRJIV-WBVHZDCISA-N 1 3 365.315 3.415 20 0 FGADHO CC(C)(C)c1nn(-c2ccccc2Cl)cc1CNCCOCCC[NH3+] ZINC000629682241 716335261 /nfs/dbraw/zinc/33/52/61/716335261.db2.gz ZGELAMNPQSBUMB-UHFFFAOYSA-N 1 3 364.921 3.278 20 0 FGADHO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638654791 717472342 /nfs/dbraw/zinc/47/23/42/717472342.db2.gz GCEDGLSRRBWSGK-RDTXWAMCSA-N 1 3 354.922 3.241 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000645804250 718242869 /nfs/dbraw/zinc/24/28/69/718242869.db2.gz LIVQWVYRWFPXFJ-GOSISDBHSA-N 1 3 363.571 3.241 20 0 FGADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000650566960 718699672 /nfs/dbraw/zinc/69/96/72/718699672.db2.gz NYHOGARCOSERAA-QGZVFWFLSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000650566960 718699675 /nfs/dbraw/zinc/69/96/75/718699675.db2.gz NYHOGARCOSERAA-QGZVFWFLSA-N 1 3 366.575 3.162 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722816 718720581 /nfs/dbraw/zinc/72/05/81/718720581.db2.gz BTPRSTYSBYDQJM-UNEWFSDZSA-N 1 3 358.404 3.288 20 0 FGADHO FC(F)(F)[C@H]1N(c2ncccc2CN2CCCC2)CCC12CC[NH2+]CC2 ZINC001164388574 718815888 /nfs/dbraw/zinc/81/58/88/718815888.db2.gz PYMHTYJSLIAZJQ-KRWDZBQOSA-N 1 3 368.447 3.188 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC000653138209 719016313 /nfs/dbraw/zinc/01/63/13/719016313.db2.gz NVWJLSMZMQVPCB-DGCLKSJQSA-N 1 3 360.351 3.158 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657868379 719722932 /nfs/dbraw/zinc/72/29/32/719722932.db2.gz OILDBXLQPDZDBI-SFHVURJKSA-N 1 3 352.544 3.019 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841435 720329756 /nfs/dbraw/zinc/32/97/56/720329756.db2.gz PLXMEEMWHKEBTB-RTBURBONSA-N 1 3 351.579 3.118 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000667040454 721017701 /nfs/dbraw/zinc/01/77/01/721017701.db2.gz OIOBALOIDYGRJZ-GOSISDBHSA-N 1 3 353.495 3.302 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000667040454 721017708 /nfs/dbraw/zinc/01/77/08/721017708.db2.gz OIOBALOIDYGRJZ-GOSISDBHSA-N 1 3 353.495 3.302 20 0 FGADHO Cc1cc(Br)cn2cc(CN[C@@H](C)C3CC[NH+](C)CC3)nc12 ZINC000680636044 722141306 /nfs/dbraw/zinc/14/13/06/722141306.db2.gz MCDULEVOCZSVBF-ZDUSSCGKSA-N 1 3 365.319 3.225 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293976 722412922 /nfs/dbraw/zinc/41/29/22/722412922.db2.gz XDKQWEBRQQFONT-DZVNLGKHSA-N 1 3 351.535 3.094 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CCC[C@H]1C ZINC000766271892 723565316 /nfs/dbraw/zinc/56/53/16/723565316.db2.gz GVJGRBZOOWWWEP-ZIAGYGMSSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CCC[C@H]1C ZINC000766271892 723565319 /nfs/dbraw/zinc/56/53/19/723565319.db2.gz GVJGRBZOOWWWEP-ZIAGYGMSSA-N 1 3 357.420 3.496 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717854 726806111 /nfs/dbraw/zinc/80/61/11/726806111.db2.gz LVIPJMJRTLYSHG-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894678 727287068 /nfs/dbraw/zinc/28/70/68/727287068.db2.gz PNSHEFSOJQZAJS-KBPBESRZSA-N 1 3 361.511 3.268 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819078272 727345348 /nfs/dbraw/zinc/34/53/48/727345348.db2.gz IBOUVZKSLAQBOU-CZUORRHYSA-N 1 3 359.283 3.086 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135446 727351077 /nfs/dbraw/zinc/35/10/77/727351077.db2.gz XDHIZFPEAHIDAS-WOSRLPQWSA-N 1 3 359.283 3.084 20 0 FGADHO C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000819326627 727367550 /nfs/dbraw/zinc/36/75/50/727367550.db2.gz STQPGXPDHUHKOU-FBVQUNGASA-N 1 3 356.432 3.475 20 0 FGADHO CN(C)C1CC[NH+](CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000827782859 729434740 /nfs/dbraw/zinc/43/47/40/729434740.db2.gz KBLUGFYZRBOBPQ-UHFFFAOYSA-N 1 3 353.551 3.440 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128892 730589362 /nfs/dbraw/zinc/58/93/62/730589362.db2.gz YOSXAXPFCDUIMQ-GJZGRUSLSA-N 1 3 361.921 3.142 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110648 731230320 /nfs/dbraw/zinc/23/03/20/731230320.db2.gz MPWVALHLBVHFDW-CYBMUJFWSA-N 1 3 361.490 3.047 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508765 731366355 /nfs/dbraw/zinc/36/63/55/731366355.db2.gz OATWJNNVTOKXMM-SJLPKXTDSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508765 731366366 /nfs/dbraw/zinc/36/63/66/731366366.db2.gz OATWJNNVTOKXMM-SJLPKXTDSA-N 1 3 357.885 3.079 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)nn1 ZINC000873247347 735743608 /nfs/dbraw/zinc/74/36/08/735743608.db2.gz LIGJKFPNEWZWCJ-IBGZPJMESA-N 1 3 353.857 3.157 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000878411585 736828055 /nfs/dbraw/zinc/82/80/55/736828055.db2.gz LVMDSQILNXDVMU-CMKODMSKSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411585 736828057 /nfs/dbraw/zinc/82/80/57/736828057.db2.gz LVMDSQILNXDVMU-CMKODMSKSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411585 736828059 /nfs/dbraw/zinc/82/80/59/736828059.db2.gz LVMDSQILNXDVMU-CMKODMSKSA-N 1 3 350.547 3.205 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697405 740033648 /nfs/dbraw/zinc/03/36/48/740033648.db2.gz SDCIYIYYIKOCHQ-OALUTQOASA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697405 740033653 /nfs/dbraw/zinc/03/36/53/740033653.db2.gz SDCIYIYYIKOCHQ-OALUTQOASA-N 1 3 350.478 3.250 20 0 FGADHO C[C@@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1CC[NH3+] ZINC000903495914 743856257 /nfs/dbraw/zinc/85/62/57/743856257.db2.gz BVKXNACGFXJPMP-DGCLKSJQSA-N 1 3 354.376 3.172 20 0 FGADHO Fc1ccc([C@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769289 743882049 /nfs/dbraw/zinc/88/20/49/743882049.db2.gz BQGSJDGWTQLZBO-DLBZAZTESA-N 1 3 350.453 3.303 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388528 758910407 /nfs/dbraw/zinc/91/04/07/758910407.db2.gz QUNZSDBPCSPEPW-NNFUDEMPSA-N 1 3 351.560 3.010 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388528 758910413 /nfs/dbraw/zinc/91/04/13/758910413.db2.gz QUNZSDBPCSPEPW-NNFUDEMPSA-N 1 3 351.560 3.010 20 0 FGADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925784475 759537493 /nfs/dbraw/zinc/53/74/93/759537493.db2.gz SBJUQDNILHAYIX-YMTOWFKASA-N 1 3 363.221 3.410 20 0 FGADHO O=C1O[C@@H](CN[C@@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852979 759558317 /nfs/dbraw/zinc/55/83/17/759558317.db2.gz JAVAGFMSVNDNAU-UKRRQHHQSA-N 1 3 366.914 3.152 20 0 FGADHO C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293555302 257380050 /nfs/dbraw/zinc/38/00/50/257380050.db2.gz FLQSRXSSCODFFR-DUXKGJEZSA-N 1 3 351.494 3.103 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160962 503694453 /nfs/dbraw/zinc/69/44/53/503694453.db2.gz KJXVNIOJRIIVQE-WQTXXOFMSA-N 1 3 368.525 3.209 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000540160962 503694454 /nfs/dbraw/zinc/69/44/54/503694454.db2.gz KJXVNIOJRIIVQE-WQTXXOFMSA-N 1 3 368.525 3.209 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000570823041 505589151 /nfs/dbraw/zinc/58/91/51/505589151.db2.gz DGUXIMIAFZBERM-HXUWFJFHSA-N 1 3 369.509 3.000 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000570823041 505589154 /nfs/dbraw/zinc/58/91/54/505589154.db2.gz DGUXIMIAFZBERM-HXUWFJFHSA-N 1 3 369.509 3.000 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000576863279 505611926 /nfs/dbraw/zinc/61/19/26/505611926.db2.gz JBQPPHOBHDUDIS-QGZVFWFLSA-N 1 3 358.448 3.319 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570938769 505616568 /nfs/dbraw/zinc/61/65/68/505616568.db2.gz CHBQKGQVRMVJPC-HXUWFJFHSA-N 1 3 372.557 3.149 20 0 FGADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573839715 505633108 /nfs/dbraw/zinc/63/31/08/505633108.db2.gz GLBJAZWKCIYHFN-PKOBYXMFSA-N 1 3 361.555 3.124 20 0 FGADHO CC(C)N1CCN([C@@H]2CC[N@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035805 505666717 /nfs/dbraw/zinc/66/67/17/505666717.db2.gz MSAMOSRZQBIFAG-OXJNMPFZSA-N 1 3 351.485 3.169 20 0 FGADHO CC(C)N1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035805 505666720 /nfs/dbraw/zinc/66/67/20/505666720.db2.gz MSAMOSRZQBIFAG-OXJNMPFZSA-N 1 3 351.485 3.169 20 0 FGADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c(F)c1 ZINC000580047538 505669812 /nfs/dbraw/zinc/66/98/12/505669812.db2.gz NPDBKWCOUDEMCT-SFHVURJKSA-N 1 3 370.472 3.133 20 0 FGADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000057847547 493808330 /nfs/dbraw/zinc/80/83/30/493808330.db2.gz OJWSSRMGGMTDDB-MRXNPFEDSA-N 1 3 363.571 3.075 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387761 493880650 /nfs/dbraw/zinc/88/06/50/493880650.db2.gz CNMVLFCOEHDYBZ-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000574071697 505686972 /nfs/dbraw/zinc/68/69/72/505686972.db2.gz JZPBOIDVFBTPMP-NRFANRHFSA-N 1 3 354.494 3.120 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(CCOc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000060368504 493928002 /nfs/dbraw/zinc/92/80/02/493928002.db2.gz OBKWKRLFZVBWAI-IAGOWNOFSA-N 1 3 350.478 3.026 20 0 FGADHO CCCCc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800703 493935349 /nfs/dbraw/zinc/93/53/49/493935349.db2.gz GDOQNSXFCIMUAX-UHFFFAOYSA-N 1 3 371.569 3.247 20 0 FGADHO CC[C@H]1CCCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125110 493949525 /nfs/dbraw/zinc/94/95/25/493949525.db2.gz NIAVTIDUUSRSCJ-NRFANRHFSA-N 1 3 357.542 3.340 20 0 FGADHO C[NH+](C)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000063651732 494074849 /nfs/dbraw/zinc/07/48/49/494074849.db2.gz QJJCQZZDQHPSEG-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO Cc1c(F)cccc1NC(=O)CCNCc1ccc(OCC[NH+](C)C)cc1 ZINC000580184434 505698666 /nfs/dbraw/zinc/69/86/66/505698666.db2.gz AYUKTBBTCNNBKD-UHFFFAOYSA-N 1 3 373.472 3.193 20 0 FGADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400716 494120926 /nfs/dbraw/zinc/12/09/26/494120926.db2.gz AYDOETGCYIEAEH-XLIONFOSSA-N 1 3 364.578 3.013 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCCCn2ccnc2C)CC1 ZINC000088734686 494256908 /nfs/dbraw/zinc/25/69/08/494256908.db2.gz INPMRZKTHAIECR-UHFFFAOYSA-N 1 3 369.557 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000043168304 494274519 /nfs/dbraw/zinc/27/45/19/494274519.db2.gz OHRVWVGLQCUDCU-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO O=C(NCCC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000089583344 494326154 /nfs/dbraw/zinc/32/61/54/494326154.db2.gz NIOIWDUMEPFBOB-UHFFFAOYSA-N 1 3 361.505 3.332 20 0 FGADHO O=C(NCCCNC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000089583344 494326156 /nfs/dbraw/zinc/32/61/56/494326156.db2.gz NIOIWDUMEPFBOB-UHFFFAOYSA-N 1 3 361.505 3.332 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434469 /nfs/dbraw/zinc/43/44/69/494434469.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 1 3 372.557 3.195 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434472 /nfs/dbraw/zinc/43/44/72/494434472.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 1 3 372.557 3.195 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000073918823 494448233 /nfs/dbraw/zinc/44/82/33/494448233.db2.gz ZFSLASYMMGKAST-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000577420174 505723572 /nfs/dbraw/zinc/72/35/72/505723572.db2.gz TWRBMJXSRBSBPT-IBGZPJMESA-N 1 3 352.478 3.253 20 0 FGADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000090964789 494506456 /nfs/dbraw/zinc/50/64/56/494506456.db2.gz UYIOEFIQBLWITP-APWZRJJASA-N 1 3 370.493 3.290 20 0 FGADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccc(Cl)cc1 ZINC000580304695 505728604 /nfs/dbraw/zinc/72/86/04/505728604.db2.gz SQDIFDCUMHULNC-HXUWFJFHSA-N 1 3 374.912 3.465 20 0 FGADHO CN1CCO[C@H]([C@H](NCCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391479 494604069 /nfs/dbraw/zinc/60/40/69/494604069.db2.gz KDGLQKWIMLUKRP-VQTJNVASSA-N 1 3 365.949 3.033 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166700 494622745 /nfs/dbraw/zinc/62/27/45/494622745.db2.gz UCMAJBYDBPSIPQ-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165563 494659690 /nfs/dbraw/zinc/65/96/90/494659690.db2.gz OZLDLTXMDSRWNF-UWJYYQICSA-N 1 3 361.493 3.364 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165563 494659694 /nfs/dbraw/zinc/65/96/94/494659694.db2.gz OZLDLTXMDSRWNF-UWJYYQICSA-N 1 3 361.493 3.364 20 0 FGADHO CCOC(=O)CCN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000092532324 494661655 /nfs/dbraw/zinc/66/16/55/494661655.db2.gz HRDWPVYXOVULKS-UHFFFAOYSA-N 1 3 373.541 3.135 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000075181013 494702710 /nfs/dbraw/zinc/70/27/10/494702710.db2.gz QGOSXFWPGXRQDI-NRFANRHFSA-N 1 3 351.494 3.095 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000075181013 494702715 /nfs/dbraw/zinc/70/27/15/494702715.db2.gz QGOSXFWPGXRQDI-NRFANRHFSA-N 1 3 351.494 3.095 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000108549532 494735882 /nfs/dbraw/zinc/73/58/82/494735882.db2.gz GYAHJQGBONCWFH-NRFANRHFSA-N 1 3 372.557 3.060 20 0 FGADHO Brc1cc2c(c(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492675 505739319 /nfs/dbraw/zinc/73/93/19/505739319.db2.gz NFLOAZOTOSCNRN-HUUCEWRRSA-N 1 3 365.315 3.206 20 0 FGADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773383 /nfs/dbraw/zinc/77/33/83/494773383.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 1 3 351.498 3.024 20 0 FGADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773388 /nfs/dbraw/zinc/77/33/88/494773388.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 1 3 351.498 3.024 20 0 FGADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000116533739 494809440 /nfs/dbraw/zinc/80/94/40/494809440.db2.gz ISOUQBWDUXSMDJ-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126686394 494819632 /nfs/dbraw/zinc/81/96/32/494819632.db2.gz XDGLQICBPVKUCK-SFHVURJKSA-N 1 3 353.510 3.293 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000109482056 494881020 /nfs/dbraw/zinc/88/10/20/494881020.db2.gz LVTKGCNEBPZFJV-QZTJIDSGSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@H](c1ccco1)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000121922905 494891287 /nfs/dbraw/zinc/89/12/87/494891287.db2.gz VHEXOZFCVMBTFZ-MRXNPFEDSA-N 1 3 374.529 3.073 20 0 FGADHO C[C@@H](c1ccco1)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000121922759 494891434 /nfs/dbraw/zinc/89/14/34/494891434.db2.gz VHEXOZFCVMBTFZ-INIZCTEOSA-N 1 3 374.529 3.073 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392829 505748131 /nfs/dbraw/zinc/74/81/31/505748131.db2.gz YYBBTMBGCWWUIT-BJESRGMDSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392829 505748133 /nfs/dbraw/zinc/74/81/33/505748133.db2.gz YYBBTMBGCWWUIT-BJESRGMDSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392829 505748137 /nfs/dbraw/zinc/74/81/37/505748137.db2.gz YYBBTMBGCWWUIT-BJESRGMDSA-N 1 3 372.553 3.462 20 0 FGADHO CCO[C@H]1C[C@@H](O)C12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613968 494904828 /nfs/dbraw/zinc/90/48/28/494904828.db2.gz PLUMCOVXMLDYQU-RTWAWAEBSA-N 1 3 374.569 3.397 20 0 FGADHO CCO[C@H]1C[C@@H](O)C12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613968 494904831 /nfs/dbraw/zinc/90/48/31/494904831.db2.gz PLUMCOVXMLDYQU-RTWAWAEBSA-N 1 3 374.569 3.397 20 0 FGADHO Fc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735078 494915057 /nfs/dbraw/zinc/91/50/57/494915057.db2.gz MIAOWQTWPDHLRD-UHFFFAOYSA-N 1 3 372.488 3.293 20 0 FGADHO Cc1csc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000117382197 494915732 /nfs/dbraw/zinc/91/57/32/494915732.db2.gz ZRYNPTHMPLLYKD-UHFFFAOYSA-N 1 3 358.555 3.452 20 0 FGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000127485556 494951501 /nfs/dbraw/zinc/95/15/01/494951501.db2.gz ZRSFTKFLDYLCJX-NRFANRHFSA-N 1 3 372.557 3.304 20 0 FGADHO C[C@@H](CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)N1CCCCC1 ZINC000571517397 505752726 /nfs/dbraw/zinc/75/27/26/505752726.db2.gz XFYQMKHDUHFYRW-LPHOPBHVSA-N 1 3 354.922 3.072 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@H]3CCc4ccccc43)cc2)CC1 ZINC000571531325 505755783 /nfs/dbraw/zinc/75/57/83/505755783.db2.gz QZGKZFFLBZWNJD-QFIPXVFZSA-N 1 3 363.505 3.161 20 0 FGADHO Cc1ccc(C)c([C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742705 495055047 /nfs/dbraw/zinc/05/50/47/495055047.db2.gz JZSXXRSHBIFXOC-NRFANRHFSA-N 1 3 357.542 3.429 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCC2)C1 ZINC000123025981 495069132 /nfs/dbraw/zinc/06/91/32/495069132.db2.gz NLJQUOARXJWOLB-GOSISDBHSA-N 1 3 355.526 3.032 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCCN1CC ZINC000111511794 495083556 /nfs/dbraw/zinc/08/35/56/495083556.db2.gz YCZTXYRRUXBGJJ-FQEVSTJZSA-N 1 3 360.546 3.154 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000128572833 495118941 /nfs/dbraw/zinc/11/89/41/495118941.db2.gz FROAGILBCLDKNZ-SFHVURJKSA-N 1 3 355.473 3.356 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111884038 495125695 /nfs/dbraw/zinc/12/56/95/495125695.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111884038 495125699 /nfs/dbraw/zinc/12/56/99/495125699.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000128643089 495128267 /nfs/dbraw/zinc/12/82/67/495128267.db2.gz SRRVGDRVLCDUJH-KRWDZBQOSA-N 1 3 361.530 3.117 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128643089 495128269 /nfs/dbraw/zinc/12/82/69/495128269.db2.gz SRRVGDRVLCDUJH-KRWDZBQOSA-N 1 3 361.530 3.117 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000112542223 495203100 /nfs/dbraw/zinc/20/31/00/495203100.db2.gz TYZROIAXTZVCEL-OAQYLSRUSA-N 1 3 351.494 3.145 20 0 FGADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203809 /nfs/dbraw/zinc/20/38/09/495203809.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 1 3 353.514 3.015 20 0 FGADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203812 /nfs/dbraw/zinc/20/38/12/495203812.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 1 3 353.514 3.015 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119813982 495247593 /nfs/dbraw/zinc/24/75/93/495247593.db2.gz DDWCLPDJHWZAQG-HXUWFJFHSA-N 1 3 365.949 3.176 20 0 FGADHO CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1CCCCC1 ZINC000104336835 495279052 /nfs/dbraw/zinc/27/90/52/495279052.db2.gz TYSFLUPXTMANMT-FQEVSTJZSA-N 1 3 374.529 3.026 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135367227 495283145 /nfs/dbraw/zinc/28/31/45/495283145.db2.gz LDNGFKQZRWRKKN-NRFANRHFSA-N 1 3 357.542 3.074 20 0 FGADHO Cc1nc2c(s1)[C@@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CCC2 ZINC000124740081 495335847 /nfs/dbraw/zinc/33/58/47/495335847.db2.gz KYCIYMBTEXRLLA-KRWDZBQOSA-N 1 3 362.587 3.369 20 0 FGADHO CC[N@@H+]1CC[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@H](C)C1 ZINC000130283166 495367715 /nfs/dbraw/zinc/36/77/15/495367715.db2.gz BUACBRLMAJXVIQ-XMSQKQJNSA-N 1 3 356.558 3.361 20 0 FGADHO CC[N@H+]1CC[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@H](C)C1 ZINC000130283166 495367721 /nfs/dbraw/zinc/36/77/21/495367721.db2.gz BUACBRLMAJXVIQ-XMSQKQJNSA-N 1 3 356.558 3.361 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCN(C(C)C)CC3)CC2)c1 ZINC000125339131 495428852 /nfs/dbraw/zinc/42/88/52/495428852.db2.gz VUUMLOLVMHTKQT-UHFFFAOYSA-N 1 3 372.601 3.360 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000120674753 495432217 /nfs/dbraw/zinc/43/22/17/495432217.db2.gz NHDIJKSOXAQBRU-KGVIQGDOSA-N 1 3 359.558 3.226 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834545 495433792 /nfs/dbraw/zinc/43/37/92/495433792.db2.gz CZWXUMCIUYIBRJ-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000137671997 495448525 /nfs/dbraw/zinc/44/85/25/495448525.db2.gz IZFQBIYHAONZFN-MNLRITNHSA-N 1 3 372.557 3.243 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530846 495464041 /nfs/dbraw/zinc/46/40/41/495464041.db2.gz RZUMEAINVLIESG-FPOVZHCZSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530846 495464046 /nfs/dbraw/zinc/46/40/46/495464046.db2.gz RZUMEAINVLIESG-FPOVZHCZSA-N 1 3 370.541 3.140 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140772 495497330 /nfs/dbraw/zinc/49/73/30/495497330.db2.gz WJWOBDLQXOSKFV-UONOGXRCSA-N 1 3 372.326 3.265 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000154313872 495577606 /nfs/dbraw/zinc/57/76/06/495577606.db2.gz GWBQRBOBWOYDHV-HNNXBMFYSA-N 1 3 369.937 3.035 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000170756369 495592532 /nfs/dbraw/zinc/59/25/32/495592532.db2.gz KJHQPBPMMOUPAR-NRFANRHFSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCCN1CCN(CC)CC1)CCC2 ZINC000154494618 495635283 /nfs/dbraw/zinc/63/52/83/495635283.db2.gz CFXBJYSEYVPCFX-INIZCTEOSA-N 1 3 350.576 3.090 20 0 FGADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666101 495655227 /nfs/dbraw/zinc/65/52/27/495655227.db2.gz GPDCODMUXAYVQU-DOXZYTNZSA-N 1 3 356.457 3.131 20 0 FGADHO CN(c1ccccc1CN1CCC[C@@H]1C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000179645380 495674781 /nfs/dbraw/zinc/67/47/81/495674781.db2.gz MCJYFTNPKOPVSX-JOCHJYFZSA-N 1 3 370.585 3.277 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@H](C)C2)CC1 ZINC000179686990 495690543 /nfs/dbraw/zinc/69/05/43/495690543.db2.gz ISBKHUHWDWPVJO-PKOBYXMFSA-N 1 3 357.542 3.054 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176611241 495720640 /nfs/dbraw/zinc/72/06/40/495720640.db2.gz NEURQADTXBDVRC-TZIWHRDSSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858536 495722522 /nfs/dbraw/zinc/72/25/22/495722522.db2.gz GXPIOQBGIPUPAH-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858536 495722527 /nfs/dbraw/zinc/72/25/27/495722527.db2.gz GXPIOQBGIPUPAH-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO COCC1=CCN(Cc2ccc(C[N@H+]3CC=C(COC)CC3)cc2)CC1 ZINC000185819795 495735800 /nfs/dbraw/zinc/73/58/00/495735800.db2.gz HSZYKGZOMKJBCL-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO COCC1=CCN(Cc2ccc(C[N@@H+]3CC=C(COC)CC3)cc2)CC1 ZINC000185819795 495735805 /nfs/dbraw/zinc/73/58/05/495735805.db2.gz HSZYKGZOMKJBCL-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000577847181 505804129 /nfs/dbraw/zinc/80/41/29/505804129.db2.gz ZSZDVIOSQMDUFZ-CMKODMSKSA-N 1 3 363.933 3.139 20 0 FGADHO C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151441343 495841085 /nfs/dbraw/zinc/84/10/85/495841085.db2.gz ONIKOCFAKBZTEY-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183155804 495859859 /nfs/dbraw/zinc/85/98/59/495859859.db2.gz UNJUPVGWFATFQQ-QHAWAJNXSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@@H](C)O1 ZINC000151780429 495945640 /nfs/dbraw/zinc/94/56/40/495945640.db2.gz LUUHUOBMQSSUSZ-HZPDHXFCSA-N 1 3 360.477 3.195 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 ZINC000174414001 495947766 /nfs/dbraw/zinc/94/77/66/495947766.db2.gz VZYWLPHKXLZECP-HDICACEKSA-N 1 3 370.497 3.248 20 0 FGADHO Cn1ccnc1[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000183368506 495949060 /nfs/dbraw/zinc/94/90/60/495949060.db2.gz FEWFVEDHZKKCGV-NRFANRHFSA-N 1 3 368.525 3.178 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C2(C)CC2)CC1 ZINC000177248679 495993446 /nfs/dbraw/zinc/99/34/46/495993446.db2.gz YGPUCJJJIJOREC-SFHVURJKSA-N 1 3 357.542 3.196 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639003 496021631 /nfs/dbraw/zinc/02/16/31/496021631.db2.gz JISWRYHXAYMNQE-WMLDXEAASA-N 1 3 353.963 3.493 20 0 FGADHO CCCN1CCC([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000171930259 496096158 /nfs/dbraw/zinc/09/61/58/496096158.db2.gz LRIWMEVMECGRRD-UHFFFAOYSA-N 1 3 356.514 3.305 20 0 FGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000171930259 496096160 /nfs/dbraw/zinc/09/61/60/496096160.db2.gz LRIWMEVMECGRRD-UHFFFAOYSA-N 1 3 356.514 3.305 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cs1 ZINC000161780372 496237179 /nfs/dbraw/zinc/23/71/79/496237179.db2.gz OCICMPDKYJMKIE-TXPKVOOTSA-N 1 3 364.603 3.236 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCN1CC ZINC000175279490 496320826 /nfs/dbraw/zinc/32/08/26/496320826.db2.gz QCSUTTCWOYGYFG-RTWAWAEBSA-N 1 3 357.542 3.231 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCN1CC ZINC000175279490 496320830 /nfs/dbraw/zinc/32/08/30/496320830.db2.gz QCSUTTCWOYGYFG-RTWAWAEBSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000181294993 496343912 /nfs/dbraw/zinc/34/39/12/496343912.db2.gz SBYBWIZUZKNHKZ-GOSISDBHSA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(OCCN(C)C)c1 ZINC000178204692 496368992 /nfs/dbraw/zinc/36/89/92/496368992.db2.gz BFBVSSDETJYFJI-KRWDZBQOSA-N 1 3 370.493 3.292 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000172717325 496399410 /nfs/dbraw/zinc/39/94/10/496399410.db2.gz KIVDRXBYNMOIRF-UHFFFAOYSA-N 1 3 357.473 3.091 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000162858295 496424554 /nfs/dbraw/zinc/42/45/54/496424554.db2.gz BSYUOYSJBOMWBN-QRVBRYPASA-N 1 3 373.541 3.353 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000157261791 496440574 /nfs/dbraw/zinc/44/05/74/496440574.db2.gz DPWAURXDFKGFAI-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000157261791 496440580 /nfs/dbraw/zinc/44/05/80/496440580.db2.gz DPWAURXDFKGFAI-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CC(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178485229 496471819 /nfs/dbraw/zinc/47/18/19/496471819.db2.gz YOYWZTALAFZASX-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218644 496483597 /nfs/dbraw/zinc/48/35/97/496483597.db2.gz YBIPIFXPPOPZTN-YLJYHZDGSA-N 1 3 356.514 3.229 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218644 496483599 /nfs/dbraw/zinc/48/35/99/496483599.db2.gz YBIPIFXPPOPZTN-YLJYHZDGSA-N 1 3 356.514 3.229 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662580 496491765 /nfs/dbraw/zinc/49/17/65/496491765.db2.gz DCFQTWXKEBKXHX-MSOLQXFVSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662580 496491769 /nfs/dbraw/zinc/49/17/69/496491769.db2.gz DCFQTWXKEBKXHX-MSOLQXFVSA-N 1 3 373.541 3.010 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCC2 ZINC000181707633 496511238 /nfs/dbraw/zinc/51/12/38/496511238.db2.gz JVPCDIOHDOFWLP-SFTDATJTSA-N 1 3 358.526 3.081 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000175730080 496518604 /nfs/dbraw/zinc/51/86/04/496518604.db2.gz ATHQMKGHXVMGSW-NHCUHLMSSA-N 1 3 372.557 3.131 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000157629479 496519492 /nfs/dbraw/zinc/51/94/92/496519492.db2.gz AUGOERGXFONBQH-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000157907388 496581928 /nfs/dbraw/zinc/58/19/28/496581928.db2.gz GRACMIFPASIQII-LEWJYISDSA-N 1 3 372.557 3.258 20 0 FGADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164722918 496628969 /nfs/dbraw/zinc/62/89/69/496628969.db2.gz WUIOSIASXMOYGI-KRWDZBQOSA-N 1 3 366.347 3.492 20 0 FGADHO Cc1ccc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000176034938 496652955 /nfs/dbraw/zinc/65/29/55/496652955.db2.gz RRDIIUHIJFWHSU-UHFFFAOYSA-N 1 3 363.571 3.054 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000182101236 496670858 /nfs/dbraw/zinc/67/08/58/496670858.db2.gz HHSXXUIHFWEWCM-SFHVURJKSA-N 1 3 372.557 3.246 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166246188 496681161 /nfs/dbraw/zinc/68/11/61/496681161.db2.gz PVWLLUCLLXZFMY-IAGOWNOFSA-N 1 3 371.447 3.347 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1F)CCNC2 ZINC000580881568 505859396 /nfs/dbraw/zinc/85/93/96/505859396.db2.gz UOWAFCLVXSHPFD-QGZVFWFLSA-N 1 3 374.504 3.390 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1F)CCNC2 ZINC000580881568 505859399 /nfs/dbraw/zinc/85/93/99/505859399.db2.gz UOWAFCLVXSHPFD-QGZVFWFLSA-N 1 3 374.504 3.390 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158380586 496689955 /nfs/dbraw/zinc/68/99/55/496689955.db2.gz HTDXBVAICWYVMR-ZIAGYGMSSA-N 1 3 353.894 3.058 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158380586 496689958 /nfs/dbraw/zinc/68/99/58/496689958.db2.gz HTDXBVAICWYVMR-ZIAGYGMSSA-N 1 3 353.894 3.058 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139944 496700832 /nfs/dbraw/zinc/70/08/32/496700832.db2.gz PWIINVZTKPXCMX-LJQANCHMSA-N 1 3 371.529 3.356 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139944 496700836 /nfs/dbraw/zinc/70/08/36/496700836.db2.gz PWIINVZTKPXCMX-LJQANCHMSA-N 1 3 371.529 3.356 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095469 496707083 /nfs/dbraw/zinc/70/70/83/496707083.db2.gz YFLDPEVMVCKBGB-TWOQFEAHSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095469 496707088 /nfs/dbraw/zinc/70/70/88/496707088.db2.gz YFLDPEVMVCKBGB-TWOQFEAHSA-N 1 3 352.482 3.467 20 0 FGADHO Cc1cccc(OC[C@H](O)CNCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000580887798 505861466 /nfs/dbraw/zinc/86/14/66/505861466.db2.gz PKFCTFQYHQWJOI-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1cccc(OC[C@H](O)CNCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000580887798 505861469 /nfs/dbraw/zinc/86/14/69/505861469.db2.gz PKFCTFQYHQWJOI-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226849 496713567 /nfs/dbraw/zinc/71/35/67/496713567.db2.gz JTCCLLIKXOMJLO-OXJNMPFZSA-N 1 3 368.477 3.223 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226849 496713569 /nfs/dbraw/zinc/71/35/69/496713569.db2.gz JTCCLLIKXOMJLO-OXJNMPFZSA-N 1 3 368.477 3.223 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182263285 496722909 /nfs/dbraw/zinc/72/29/09/496722909.db2.gz DITZSQBXVNUZME-ZWKOTPCHSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182263285 496722911 /nfs/dbraw/zinc/72/29/11/496722911.db2.gz DITZSQBXVNUZME-ZWKOTPCHSA-N 1 3 357.523 3.185 20 0 FGADHO CC[C@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1nccn1C ZINC000182286423 496726456 /nfs/dbraw/zinc/72/64/56/496726456.db2.gz ZWMCVJIEGYWULH-NRFANRHFSA-N 1 3 369.557 3.372 20 0 FGADHO CC(C)N(C)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000191412986 496754581 /nfs/dbraw/zinc/75/45/81/496754581.db2.gz LCMVLZLBGLKDDT-UHFFFAOYSA-N 1 3 360.546 3.003 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268767356 496778969 /nfs/dbraw/zinc/77/89/69/496778969.db2.gz OIGPVFCJISFOEQ-HNNXBMFYSA-N 1 3 373.463 3.304 20 0 FGADHO C[NH+](C)CCCN[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191485394 496780136 /nfs/dbraw/zinc/78/01/36/496780136.db2.gz VFQZJKRDLXEQGW-QGZVFWFLSA-N 1 3 355.320 3.458 20 0 FGADHO C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783338 496784374 /nfs/dbraw/zinc/78/43/74/496784374.db2.gz YTFFPSVYBCJVJQ-QGZVFWFLSA-N 1 3 369.509 3.180 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000273405748 496797080 /nfs/dbraw/zinc/79/70/80/496797080.db2.gz HPHRKVBOYJAQKQ-DBXWQHBBSA-N 1 3 372.557 3.021 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183468 496800931 /nfs/dbraw/zinc/80/09/31/496800931.db2.gz VITAXXJTAYUQAW-VDGAXYAQSA-N 1 3 365.949 3.033 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843042 496801903 /nfs/dbraw/zinc/80/19/03/496801903.db2.gz BAKBMVVAZYJMID-NQSCKRDGSA-N 1 3 354.494 3.371 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843042 496801908 /nfs/dbraw/zinc/80/19/08/496801908.db2.gz BAKBMVVAZYJMID-NQSCKRDGSA-N 1 3 354.494 3.371 20 0 FGADHO CC[NH+]1CCC(NCCC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000268880037 496813059 /nfs/dbraw/zinc/81/30/59/496813059.db2.gz ASHVIHSERMSEDW-UHFFFAOYSA-N 1 3 353.894 3.060 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562056 496813252 /nfs/dbraw/zinc/81/32/52/496813252.db2.gz SXYDZVJUWZQJNI-LJQANCHMSA-N 1 3 370.541 3.423 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562056 496813259 /nfs/dbraw/zinc/81/32/59/496813259.db2.gz SXYDZVJUWZQJNI-LJQANCHMSA-N 1 3 370.541 3.423 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655045 496842753 /nfs/dbraw/zinc/84/27/53/496842753.db2.gz ZIOOLZIVPUZFSH-OAQYLSRUSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(CN1CCC[C@@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685679 496905419 /nfs/dbraw/zinc/90/54/19/496905419.db2.gz UXIOPJMGQJDCCY-LEWJYISDSA-N 1 3 355.526 3.163 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000247922241 496928179 /nfs/dbraw/zinc/92/81/79/496928179.db2.gz CBYOAABKXHSJBT-ACRUOGEOSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956315 496932288 /nfs/dbraw/zinc/93/22/88/496932288.db2.gz FQKISABHCIMPIK-HIFRSBDPSA-N 1 3 360.420 3.315 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956315 496932290 /nfs/dbraw/zinc/93/22/90/496932290.db2.gz FQKISABHCIMPIK-HIFRSBDPSA-N 1 3 360.420 3.315 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248398650 496996261 /nfs/dbraw/zinc/99/62/61/496996261.db2.gz JBKLOUHWICZRSH-DNVJHFABSA-N 1 3 369.553 3.135 20 0 FGADHO O[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000569212897 505879699 /nfs/dbraw/zinc/87/96/99/505879699.db2.gz YYCNXKNWXVEVAL-PKTZIBPZSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@@H](CCc1ccccc1)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212897 505879701 /nfs/dbraw/zinc/87/97/01/505879701.db2.gz YYCNXKNWXVEVAL-PKTZIBPZSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@@H](CCc1ccccc1)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212897 505879702 /nfs/dbraw/zinc/87/97/02/505879702.db2.gz YYCNXKNWXVEVAL-PKTZIBPZSA-N 1 3 352.522 3.134 20 0 FGADHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2n1 ZINC000189427444 497115626 /nfs/dbraw/zinc/11/56/26/497115626.db2.gz HCTFVLMIOARDNP-QFIPXVFZSA-N 1 3 361.489 3.400 20 0 FGADHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2n1 ZINC000189427444 497115630 /nfs/dbraw/zinc/11/56/30/497115630.db2.gz HCTFVLMIOARDNP-QFIPXVFZSA-N 1 3 361.489 3.400 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248871764 497121850 /nfs/dbraw/zinc/12/18/50/497121850.db2.gz QSIMKBUJHIOTBS-FXAWDEMLSA-N 1 3 372.557 3.069 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](CN)c3ccccc3)c2)CC1 ZINC000236638833 497125626 /nfs/dbraw/zinc/12/56/26/497125626.db2.gz ZJVJPZXEJIVZEM-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265647801 497153436 /nfs/dbraw/zinc/15/34/36/497153436.db2.gz KOVZQXNZMTWBCD-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634191 497167125 /nfs/dbraw/zinc/16/71/25/497167125.db2.gz MYSUEQUOTKNSIJ-VGOFRKELSA-N 1 3 372.509 3.410 20 0 FGADHO COc1ccc([C@H](CCO)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634194 497167749 /nfs/dbraw/zinc/16/77/49/497167749.db2.gz MYSUEQUOTKNSIJ-VGSWGCGISA-N 1 3 372.509 3.410 20 0 FGADHO CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047707 497183843 /nfs/dbraw/zinc/18/38/43/497183843.db2.gz MJTSUHQGXQXPFH-UWJYYQICSA-N 1 3 351.494 3.443 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC000192724957 497195893 /nfs/dbraw/zinc/19/58/93/497195893.db2.gz LDUWWMFIRDHZLZ-UHFFFAOYSA-N 1 3 359.558 3.194 20 0 FGADHO CC1(C2CC2)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000574963080 505892533 /nfs/dbraw/zinc/89/25/33/505892533.db2.gz UWTYRWLPSDNKMI-UHFFFAOYSA-N 1 3 369.553 3.411 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192848403 497229682 /nfs/dbraw/zinc/22/96/82/497229682.db2.gz PRQBQEWWNUODCK-WOJBJXKFSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000237416252 497233567 /nfs/dbraw/zinc/23/35/67/497233567.db2.gz TXRRGCQOGYPDRR-INIZCTEOSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@H](CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237505875 497248282 /nfs/dbraw/zinc/24/82/82/497248282.db2.gz QRTPNLOPWCHXCQ-NRSPTQNISA-N 1 3 357.542 3.135 20 0 FGADHO CC[C@@](O)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000192959815 497260861 /nfs/dbraw/zinc/26/08/61/497260861.db2.gz LZXJBCKFYMRYPJ-HQSKLWIPSA-N 1 3 367.331 3.262 20 0 FGADHO CC[C@@](O)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000192959815 497260867 /nfs/dbraw/zinc/26/08/67/497260867.db2.gz LZXJBCKFYMRYPJ-HQSKLWIPSA-N 1 3 367.331 3.262 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266332245 497307343 /nfs/dbraw/zinc/30/73/43/497307343.db2.gz XRUSWCAGQWBKNA-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)cc1 ZINC000252656728 497315228 /nfs/dbraw/zinc/31/52/28/497315228.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 1 3 358.530 3.313 20 0 FGADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)cc1 ZINC000252656728 497315233 /nfs/dbraw/zinc/31/52/33/497315233.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 1 3 358.530 3.313 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296757 497325523 /nfs/dbraw/zinc/32/55/23/497325523.db2.gz TYMHBKQFMPPDFV-OALUTQOASA-N 1 3 361.530 3.050 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296757 497325525 /nfs/dbraw/zinc/32/55/25/497325525.db2.gz TYMHBKQFMPPDFV-OALUTQOASA-N 1 3 361.530 3.050 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000190094042 497354884 /nfs/dbraw/zinc/35/48/84/497354884.db2.gz PXOMCETXMKLCIC-NRFANRHFSA-N 1 3 372.557 3.341 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245399542 497385214 /nfs/dbraw/zinc/38/52/14/497385214.db2.gz ALSUTSUMDGYXDH-RTBURBONSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245399542 497385219 /nfs/dbraw/zinc/38/52/19/497385219.db2.gz ALSUTSUMDGYXDH-RTBURBONSA-N 1 3 374.573 3.400 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245432059 497402476 /nfs/dbraw/zinc/40/24/76/497402476.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245432059 497402480 /nfs/dbraw/zinc/40/24/80/497402480.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271862223 497473647 /nfs/dbraw/zinc/47/36/47/497473647.db2.gz KSSVOEZMYODRKT-LBPRGKRZSA-N 1 3 367.287 3.303 20 0 FGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000267154179 497492866 /nfs/dbraw/zinc/49/28/66/497492866.db2.gz NUXYRHHYVGTGLS-UHFFFAOYSA-N 1 3 369.553 3.422 20 0 FGADHO COc1ccccc1-c1ccc([C@H](C)N(C)CCN2CC[NH2+]CC2)cc1 ZINC000575060085 505912500 /nfs/dbraw/zinc/91/25/00/505912500.db2.gz WHIFIEQOTSTXFI-SFHVURJKSA-N 1 3 353.510 3.260 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000245882365 497558810 /nfs/dbraw/zinc/55/88/10/497558810.db2.gz IIAPHRFXRSLOIY-LEWJYISDSA-N 1 3 372.557 3.195 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883067 497559526 /nfs/dbraw/zinc/55/95/26/497559526.db2.gz LENYTBJVOQXQHQ-YPAWHYETSA-N 1 3 371.569 3.117 20 0 FGADHO C[C@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648979 497591378 /nfs/dbraw/zinc/59/13/78/497591378.db2.gz QCMQMPGLPBZSNB-DXIQSLLYSA-N 1 3 365.521 3.446 20 0 FGADHO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000272309991 497593508 /nfs/dbraw/zinc/59/35/08/497593508.db2.gz OUABZDUXBKNRPA-UXHICEINSA-N 1 3 374.525 3.109 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262661009 497594212 /nfs/dbraw/zinc/59/42/12/497594212.db2.gz GGUIHWISNRCZDY-LMQGHGSNSA-N 1 3 355.526 3.249 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1OCCN1CCCC1 ZINC000262948979 497664553 /nfs/dbraw/zinc/66/45/53/497664553.db2.gz JJAXZLMIDKTYCR-GHTZIAJQSA-N 1 3 359.514 3.316 20 0 FGADHO CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262959817 497666369 /nfs/dbraw/zinc/66/63/69/497666369.db2.gz KOVGWZHAKUJVAP-RXVVDRJESA-N 1 3 357.542 3.450 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246260248 497676592 /nfs/dbraw/zinc/67/65/92/497676592.db2.gz QQHBCNZIAYNRCL-XAPVIXHLSA-N 1 3 359.558 3.301 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000246281399 497682939 /nfs/dbraw/zinc/68/29/39/497682939.db2.gz CDCAJZCPKRASND-UYAOXDASSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000246281399 497682940 /nfs/dbraw/zinc/68/29/40/497682940.db2.gz CDCAJZCPKRASND-UYAOXDASSA-N 1 3 357.542 3.475 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924498 /nfs/dbraw/zinc/92/44/98/505924498.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 1 3 372.538 3.234 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924501 /nfs/dbraw/zinc/92/45/01/505924501.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 1 3 372.538 3.234 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000246376276 497712953 /nfs/dbraw/zinc/71/29/53/497712953.db2.gz JSPASEWFMFRLMN-HQRMLTQVSA-N 1 3 364.555 3.332 20 0 FGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263229869 497737376 /nfs/dbraw/zinc/73/73/76/497737376.db2.gz NHUCOQAEPKTNLY-PMVMPFDFSA-N 1 3 369.553 3.409 20 0 FGADHO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cnn1C(C)C ZINC000191192852 497738768 /nfs/dbraw/zinc/73/87/68/497738768.db2.gz HITQXIGNYLDGFV-SFHVURJKSA-N 1 3 369.557 3.371 20 0 FGADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cnn1C(C)(C)C ZINC000191231812 497750555 /nfs/dbraw/zinc/75/05/55/497750555.db2.gz FUROKOXQMWVRIV-ZACQAIPSSA-N 1 3 350.551 3.487 20 0 FGADHO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191298256 497773295 /nfs/dbraw/zinc/77/32/95/497773295.db2.gz QCYMKUCHVGJXME-PXNSSMCTSA-N 1 3 357.542 3.324 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296394 497885626 /nfs/dbraw/zinc/88/56/26/497885626.db2.gz BWUBIUZTEQNGLV-IFMALSPDSA-N 1 3 361.493 3.358 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296394 497885635 /nfs/dbraw/zinc/88/56/35/497885635.db2.gz BWUBIUZTEQNGLV-IFMALSPDSA-N 1 3 361.493 3.358 20 0 FGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccccc1-n1ccnn1 ZINC000581245252 505942550 /nfs/dbraw/zinc/94/25/50/505942550.db2.gz IMBVVXNQINTCTM-XJDHANQYSA-N 1 3 351.498 3.072 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)CC2)CC1 ZINC000569473876 505943715 /nfs/dbraw/zinc/94/37/15/505943715.db2.gz YQULFJAEAKHNON-VQTJNVASSA-N 1 3 361.574 3.220 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263407 497944357 /nfs/dbraw/zinc/94/43/57/497944357.db2.gz TVBGEZBBZRMUJU-FGZHOGPDSA-N 1 3 369.553 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263407 497944363 /nfs/dbraw/zinc/94/43/63/497944363.db2.gz TVBGEZBBZRMUJU-FGZHOGPDSA-N 1 3 369.553 3.231 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1CCN(C)CC1 ZINC000292267794 497946096 /nfs/dbraw/zinc/94/60/96/497946096.db2.gz UAEHBOYSEIZIPJ-UHFFFAOYSA-N 1 3 351.560 3.150 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289247254 498076810 /nfs/dbraw/zinc/07/68/10/498076810.db2.gz LOZBKSCEGXAWAD-BWPNAZKDSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289247254 498076814 /nfs/dbraw/zinc/07/68/14/498076814.db2.gz LOZBKSCEGXAWAD-BWPNAZKDSA-N 1 3 372.509 3.165 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC000569621538 505977648 /nfs/dbraw/zinc/97/76/48/505977648.db2.gz PARDKELPPUOEBS-UHFFFAOYSA-N 1 3 359.514 3.144 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626100 505979207 /nfs/dbraw/zinc/97/92/07/505979207.db2.gz VWKBIYDEHFWHDA-KRWDZBQOSA-N 1 3 373.570 3.053 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597310 498113808 /nfs/dbraw/zinc/11/38/08/498113808.db2.gz YEYJRVSVLLUNHV-NRFANRHFSA-N 1 3 357.542 3.015 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517026 498178806 /nfs/dbraw/zinc/17/88/06/498178806.db2.gz HOBXHGJCUMRCGA-NHCUHLMSSA-N 1 3 355.457 3.028 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517026 498178813 /nfs/dbraw/zinc/17/88/13/498178813.db2.gz HOBXHGJCUMRCGA-NHCUHLMSSA-N 1 3 355.457 3.028 20 0 FGADHO Cc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000364991894 498243144 /nfs/dbraw/zinc/24/31/44/498243144.db2.gz ALEGJWRBRCMXDE-UHFFFAOYSA-N 1 3 366.509 3.485 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1OC ZINC000286060131 498281371 /nfs/dbraw/zinc/28/13/71/498281371.db2.gz LIFSFSRSWSBLRN-DLBZAZTESA-N 1 3 362.514 3.164 20 0 FGADHO c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642862 498293196 /nfs/dbraw/zinc/29/31/96/498293196.db2.gz RDEKHFLLLKBTHE-TUFLPTIASA-N 1 3 350.510 3.261 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921305 498318565 /nfs/dbraw/zinc/31/85/65/498318565.db2.gz JLNNHXLMWUTSNQ-NRFANRHFSA-N 1 3 365.537 3.301 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000297356814 498418114 /nfs/dbraw/zinc/41/81/14/498418114.db2.gz FLDXAGLZDCOLTA-GHTZIAJQSA-N 1 3 350.510 3.303 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000569863687 506033940 /nfs/dbraw/zinc/03/39/40/506033940.db2.gz HPKNQFMXZSSGDO-UHFFFAOYSA-N 1 3 369.962 3.214 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000569878752 506036894 /nfs/dbraw/zinc/03/68/94/506036894.db2.gz JRUKKBWHQIOBQT-DYESRHJHSA-N 1 3 353.510 3.478 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000362486456 498522708 /nfs/dbraw/zinc/52/27/08/498522708.db2.gz NGAOJDWBXCTLCR-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000569980840 506061061 /nfs/dbraw/zinc/06/10/61/506061061.db2.gz UVLSNDGEVIJROR-IBGZPJMESA-N 1 3 374.573 3.113 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000569980840 506061064 /nfs/dbraw/zinc/06/10/64/506061064.db2.gz UVLSNDGEVIJROR-IBGZPJMESA-N 1 3 374.573 3.113 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000581819164 506067693 /nfs/dbraw/zinc/06/76/93/506067693.db2.gz GYYDUJHCOVSSIN-FFZOFVMBSA-N 1 3 361.530 3.102 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)N(C)C1CC1 ZINC000303536089 498689216 /nfs/dbraw/zinc/68/92/16/498689216.db2.gz SGCXJAXKWRCZSQ-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469394 498701360 /nfs/dbraw/zinc/70/13/60/498701360.db2.gz GSODKTDMOAOPID-HOCLYGCPSA-N 1 3 370.335 3.071 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000572889248 506076462 /nfs/dbraw/zinc/07/64/62/506076462.db2.gz FVBDGVIZEQMSHD-IAGOWNOFSA-N 1 3 353.510 3.466 20 0 FGADHO CCCN1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000306081502 498737182 /nfs/dbraw/zinc/73/71/82/498737182.db2.gz DCTWHLGYLVBATK-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000303987677 498734084 /nfs/dbraw/zinc/73/40/84/498734084.db2.gz LYOSIEWEFOKDMI-VQTJNVASSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000303987677 498734088 /nfs/dbraw/zinc/73/40/88/498734088.db2.gz LYOSIEWEFOKDMI-VQTJNVASSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000303987677 498734094 /nfs/dbraw/zinc/73/40/94/498734094.db2.gz LYOSIEWEFOKDMI-VQTJNVASSA-N 1 3 357.498 3.004 20 0 FGADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737011 498763180 /nfs/dbraw/zinc/76/31/80/498763180.db2.gz XEDVMHRWKDIIEY-FGZHOGPDSA-N 1 3 368.521 3.100 20 0 FGADHO CCc1cccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737011 498763182 /nfs/dbraw/zinc/76/31/82/498763182.db2.gz XEDVMHRWKDIIEY-FGZHOGPDSA-N 1 3 368.521 3.100 20 0 FGADHO COc1ccccc1[C@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCCCC1 ZINC000298424678 498767031 /nfs/dbraw/zinc/76/70/31/498767031.db2.gz MUGDOHDJXPLMCY-NRFANRHFSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccccc1[C@H](CNC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000298424678 498767033 /nfs/dbraw/zinc/76/70/33/498767033.db2.gz MUGDOHDJXPLMCY-NRFANRHFSA-N 1 3 357.542 3.439 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363372095 498784623 /nfs/dbraw/zinc/78/46/23/498784623.db2.gz SKPDSGAJDNFIAD-SEJPIABJSA-N 1 3 372.557 3.153 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363372095 498784630 /nfs/dbraw/zinc/78/46/30/498784630.db2.gz SKPDSGAJDNFIAD-SEJPIABJSA-N 1 3 372.557 3.153 20 0 FGADHO C[C@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000332820516 498803802 /nfs/dbraw/zinc/80/38/02/498803802.db2.gz KLUIQNPSFQZZPV-QFBILLFUSA-N 1 3 372.557 3.258 20 0 FGADHO C[NH2+][C@@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000572974123 506093518 /nfs/dbraw/zinc/09/35/18/506093518.db2.gz MJCRNZMBXURLFS-ZDUSSCGKSA-N 1 3 358.313 3.026 20 0 FGADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000298555195 498811985 /nfs/dbraw/zinc/81/19/85/498811985.db2.gz VFHYOWAPRJFDLR-UHFFFAOYSA-N 1 3 365.456 3.473 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963264 506101121 /nfs/dbraw/zinc/10/11/21/506101121.db2.gz SWKCLSYDQYAOQP-HOJAQTOUSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H]2COc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000581963264 506101125 /nfs/dbraw/zinc/10/11/25/506101125.db2.gz SWKCLSYDQYAOQP-HOJAQTOUSA-N 1 3 352.478 3.469 20 0 FGADHO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000363552592 498875524 /nfs/dbraw/zinc/87/55/24/498875524.db2.gz DYAJECDQBVMFPN-SFHVURJKSA-N 1 3 374.529 3.028 20 0 FGADHO COC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113048 506121342 /nfs/dbraw/zinc/12/13/42/506121342.db2.gz QINITECXYKOWJB-NHCUHLMSSA-N 1 3 360.542 3.176 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283780 498985059 /nfs/dbraw/zinc/98/50/59/498985059.db2.gz XDTUWOPPERVCFD-DBXWQHBBSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782141 498989009 /nfs/dbraw/zinc/98/90/09/498989009.db2.gz GWBJPOYDVNPCMV-QOKNQOGYSA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782141 498989016 /nfs/dbraw/zinc/98/90/16/498989016.db2.gz GWBJPOYDVNPCMV-QOKNQOGYSA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000288309143 498991695 /nfs/dbraw/zinc/99/16/95/498991695.db2.gz XFINGXWAOYIGQJ-IOMROCGXSA-N 1 3 372.557 3.051 20 0 FGADHO C[C@@]1(NC(=O)NCCCCC[NH+]2CCCC2)CCN(Cc2ccccc2)C1 ZINC000582066431 506126241 /nfs/dbraw/zinc/12/62/41/506126241.db2.gz CJKDZHDFFHXMRE-JOCHJYFZSA-N 1 3 372.557 3.216 20 0 FGADHO CC(CCN[C@@H](CCO)c1ccco1)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000299397746 499046800 /nfs/dbraw/zinc/04/68/00/499046800.db2.gz RYFKYYMNMIMLJC-ROUUACIJSA-N 1 3 364.486 3.015 20 0 FGADHO CCc1noc(C2CCC([NH2+]CC3(N)C4CC5CC(C4)CC3C5)CC2)n1 ZINC000333886127 499093029 /nfs/dbraw/zinc/09/30/29/499093029.db2.gz XGEDCTFQXKVKBE-UHFFFAOYSA-N 1 3 358.530 3.401 20 0 FGADHO COCCC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000367022035 499135294 /nfs/dbraw/zinc/13/52/94/499135294.db2.gz GYTUIQOENKAHMR-TZIWHRDSSA-N 1 3 363.521 3.052 20 0 FGADHO COCCCn1nccc1CNCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000367233261 499165500 /nfs/dbraw/zinc/16/55/00/499165500.db2.gz XMXWZCHDGHYRJB-UHFFFAOYSA-N 1 3 370.541 3.230 20 0 FGADHO COCCCn1nccc1C[NH2+]CC1CCN(Cc2ccc(C)cc2)CC1 ZINC000367233261 499165502 /nfs/dbraw/zinc/16/55/02/499165502.db2.gz XMXWZCHDGHYRJB-UHFFFAOYSA-N 1 3 370.541 3.230 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245512 499167742 /nfs/dbraw/zinc/16/77/42/499167742.db2.gz YBTQODBBEYMPRZ-LJQANCHMSA-N 1 3 365.512 3.245 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245512 499167744 /nfs/dbraw/zinc/16/77/44/499167744.db2.gz YBTQODBBEYMPRZ-LJQANCHMSA-N 1 3 365.512 3.245 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000370111171 499182087 /nfs/dbraw/zinc/18/20/87/499182087.db2.gz KUXMLSAJGGVACO-WMLDXEAASA-N 1 3 366.347 3.268 20 0 FGADHO CC(C)CCc1nc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367622491 499218776 /nfs/dbraw/zinc/21/87/76/499218776.db2.gz IEDJAKAXVJOSLK-LJQANCHMSA-N 1 3 364.603 3.332 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644796 499239265 /nfs/dbraw/zinc/23/92/65/499239265.db2.gz GXQKICRABDFMPJ-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644796 499239267 /nfs/dbraw/zinc/23/92/67/499239267.db2.gz GXQKICRABDFMPJ-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO CC(C)[NH+]1CCC(N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368045608 499259215 /nfs/dbraw/zinc/25/92/15/499259215.db2.gz QIQHQMDFKMVZJC-QGZVFWFLSA-N 1 3 351.535 3.238 20 0 FGADHO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000368101819 499264126 /nfs/dbraw/zinc/26/41/26/499264126.db2.gz LQYAVKQBNLCZCD-HAGHYFMRSA-N 1 3 350.510 3.157 20 0 FGADHO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2ccncc2)CC1 ZINC000368454297 499297423 /nfs/dbraw/zinc/29/74/23/499297423.db2.gz KACRBMIGFLDFAL-UHFFFAOYSA-N 1 3 351.454 3.413 20 0 FGADHO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2ccncc2)CC1 ZINC000368454297 499297424 /nfs/dbraw/zinc/29/74/24/499297424.db2.gz KACRBMIGFLDFAL-UHFFFAOYSA-N 1 3 351.454 3.413 20 0 FGADHO Brc1cnn(CCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000368566044 499308162 /nfs/dbraw/zinc/30/81/62/499308162.db2.gz GSSMAVVWYQMWDN-UHFFFAOYSA-N 1 3 369.351 3.422 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199287 506142127 /nfs/dbraw/zinc/14/21/27/506142127.db2.gz SCQGGGNTUOKMSV-SQGPQFPESA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199287 506142129 /nfs/dbraw/zinc/14/21/29/506142129.db2.gz SCQGGGNTUOKMSV-SQGPQFPESA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199287 506142131 /nfs/dbraw/zinc/14/21/31/506142131.db2.gz SCQGGGNTUOKMSV-SQGPQFPESA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)n1cc([C@@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000372056290 499394201 /nfs/dbraw/zinc/39/42/01/499394201.db2.gz LOHIHDYFOYYIEN-GOSISDBHSA-N 1 3 361.578 3.311 20 0 FGADHO C[C@H]1CN(CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369460 499508172 /nfs/dbraw/zinc/50/81/72/499508172.db2.gz KVZZSQLIYQPNHV-KRWDZBQOSA-N 1 3 365.949 3.209 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388342384 499550720 /nfs/dbraw/zinc/55/07/20/499550720.db2.gz NFXAGVKZRRGJBS-NRFANRHFSA-N 1 3 365.521 3.185 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960967 499565781 /nfs/dbraw/zinc/56/57/81/499565781.db2.gz DZJHZXCAJIWAQY-XKCSPQBFSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960967 499565782 /nfs/dbraw/zinc/56/57/82/499565782.db2.gz DZJHZXCAJIWAQY-XKCSPQBFSA-N 1 3 368.521 3.235 20 0 FGADHO COc1ccc2ccccc2c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000377240626 499673104 /nfs/dbraw/zinc/67/31/04/499673104.db2.gz DLQCAKPLWOXILZ-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377320073 499679703 /nfs/dbraw/zinc/67/97/03/499679703.db2.gz GSEONSPDRFIWBY-ILWGZMRPSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377320073 499679704 /nfs/dbraw/zinc/67/97/04/499679704.db2.gz GSEONSPDRFIWBY-ILWGZMRPSA-N 1 3 363.505 3.123 20 0 FGADHO CN1CC[NH+](C[C@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618230 499711072 /nfs/dbraw/zinc/71/10/72/499711072.db2.gz BVJPLSBWCXCYNA-QGZVFWFLSA-N 1 3 371.447 3.045 20 0 FGADHO CCCNC(=O)[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227007 499713979 /nfs/dbraw/zinc/71/39/79/499713979.db2.gz UJQGSZWOXBPRHR-NRFANRHFSA-N 1 3 357.542 3.411 20 0 FGADHO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411227007 499713981 /nfs/dbraw/zinc/71/39/81/499713981.db2.gz UJQGSZWOXBPRHR-NRFANRHFSA-N 1 3 357.542 3.411 20 0 FGADHO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411227007 499713982 /nfs/dbraw/zinc/71/39/82/499713982.db2.gz UJQGSZWOXBPRHR-NRFANRHFSA-N 1 3 357.542 3.411 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411362359 499729874 /nfs/dbraw/zinc/72/98/74/499729874.db2.gz IJVWEIQADYWYPB-NRFANRHFSA-N 1 3 361.505 3.246 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411443471 499741007 /nfs/dbraw/zinc/74/10/07/499741007.db2.gz CIHLFKQSHJVBHB-LJQANCHMSA-N 1 3 363.521 3.493 20 0 FGADHO CCC(CC)[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411448701 499741755 /nfs/dbraw/zinc/74/17/55/499741755.db2.gz FIJRGMGQVJFCDP-LJQANCHMSA-N 1 3 351.560 3.416 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411516086 499750102 /nfs/dbraw/zinc/75/01/02/499750102.db2.gz JDLRYSXAYVRTPX-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411515217 499750165 /nfs/dbraw/zinc/75/01/65/499750165.db2.gz UZTSAQIHEAYGDS-KRWDZBQOSA-N 1 3 351.560 3.414 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1nc2ccccc2c(=O)[nH]1 ZINC000411547388 499753384 /nfs/dbraw/zinc/75/33/84/499753384.db2.gz CEOQZMQZXHYLTP-AEFFLSMTSA-N 1 3 356.514 3.368 20 0 FGADHO Cc1nc2c(s1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414310959 499776271 /nfs/dbraw/zinc/77/62/71/499776271.db2.gz ULQDFVLBYBJCBY-SFHVURJKSA-N 1 3 371.550 3.446 20 0 FGADHO Oc1cccc2c1CCC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310475 499776403 /nfs/dbraw/zinc/77/64/03/499776403.db2.gz TWYMOKYXCJEFQN-OAQYLSRUSA-N 1 3 366.505 3.386 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320170 499777241 /nfs/dbraw/zinc/77/72/41/499777241.db2.gz BIAZVYKVGVDKSU-HNNXBMFYSA-N 1 3 357.523 3.296 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000414346424 499779729 /nfs/dbraw/zinc/77/97/29/499779729.db2.gz VEAQLILYAUOFAT-FGZHOGPDSA-N 1 3 369.553 3.442 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CNC/C=C/c3ccccc3)cc2)CC1 ZINC000414551998 499807454 /nfs/dbraw/zinc/80/74/54/499807454.db2.gz GDEHXBPVYSXWIA-QPJJXVBHSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000414551998 499807455 /nfs/dbraw/zinc/80/74/55/499807455.db2.gz GDEHXBPVYSXWIA-QPJJXVBHSA-N 1 3 363.505 3.187 20 0 FGADHO Cc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1C ZINC000414553676 499807665 /nfs/dbraw/zinc/80/76/65/499807665.db2.gz JELPEPHTIDCAGW-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414729921 499823967 /nfs/dbraw/zinc/82/39/67/499823967.db2.gz GBTWGHAQMKRRMB-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796798 499832317 /nfs/dbraw/zinc/83/23/17/499832317.db2.gz IAODXLKZSOQMRH-ZBFHGGJFSA-N 1 3 352.404 3.498 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414798459 499832453 /nfs/dbraw/zinc/83/24/53/499832453.db2.gz JDUJQSDXVGOVNX-RVKKMQEKSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414798459 499832454 /nfs/dbraw/zinc/83/24/54/499832454.db2.gz JDUJQSDXVGOVNX-RVKKMQEKSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414799157 499832637 /nfs/dbraw/zinc/83/26/37/499832637.db2.gz JUIFRUTYDDBAOS-DVOMOZLQSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799157 499832639 /nfs/dbraw/zinc/83/26/39/499832639.db2.gz JUIFRUTYDDBAOS-DVOMOZLQSA-N 1 3 368.319 3.273 20 0 FGADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414809272 499833445 /nfs/dbraw/zinc/83/34/45/499833445.db2.gz LVOIWSQWVFRRPS-GFCCVEGCSA-N 1 3 356.308 3.273 20 0 FGADHO CCOc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414809369 499833535 /nfs/dbraw/zinc/83/35/35/499833535.db2.gz UBEMXIHTUSZTHF-HIFRSBDPSA-N 1 3 371.319 3.464 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414816068 499834179 /nfs/dbraw/zinc/83/41/79/499834179.db2.gz ZDSIIUKXGHAGIQ-CYBMUJFWSA-N 1 3 350.422 3.115 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838325 499836269 /nfs/dbraw/zinc/83/62/69/499836269.db2.gz KHWJWGPMPWGFBG-IUODEOHRSA-N 1 3 356.308 3.129 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851909 499838052 /nfs/dbraw/zinc/83/80/52/499838052.db2.gz JNMRBQKSXCWJRN-MGPQQGTHSA-N 1 3 368.319 3.144 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccccc2Br)CC1 ZINC000414924642 499845084 /nfs/dbraw/zinc/84/50/84/499845084.db2.gz IWKDWHLKKCMPFA-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@]1(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC000415099641 499863403 /nfs/dbraw/zinc/86/34/03/499863403.db2.gz GTPJKVGDLJRUIG-SFHVURJKSA-N 1 3 355.448 3.259 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121494 499866329 /nfs/dbraw/zinc/86/63/29/499866329.db2.gz IEEDMWRRNWFNGC-SJORKVTESA-N 1 3 350.528 3.135 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137156 499869399 /nfs/dbraw/zinc/86/93/99/499869399.db2.gz XTZVQXKILUEIRN-TZIWHRDSSA-N 1 3 361.505 3.144 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000415201388 499876505 /nfs/dbraw/zinc/87/65/05/499876505.db2.gz KOXQAMDGNSJJPC-QUCCMNQESA-N 1 3 355.526 3.126 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@H](C)NC[C@H]3C)c2)CC1 ZINC000415386813 499890694 /nfs/dbraw/zinc/89/06/94/499890694.db2.gz GKZUHAJUXKLNSV-ZWKOTPCHSA-N 1 3 358.530 3.175 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415561115 499902312 /nfs/dbraw/zinc/90/23/12/499902312.db2.gz GHGHVLWURRXYMN-AZUAARDMSA-N 1 3 358.530 3.177 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000415912185 499927725 /nfs/dbraw/zinc/92/77/25/499927725.db2.gz KQCUTIOOZYSAMD-UHFFFAOYSA-N 1 3 367.497 3.181 20 0 FGADHO C[C@H](NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000415951149 499932787 /nfs/dbraw/zinc/93/27/87/499932787.db2.gz FKIZAGJJBNVQEF-NSHDSACASA-N 1 3 360.424 3.262 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971638 499935565 /nfs/dbraw/zinc/93/55/65/499935565.db2.gz NTBKLEOOSLQBDF-LBPRGKRZSA-N 1 3 358.408 3.160 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972292 499935698 /nfs/dbraw/zinc/93/56/98/499935698.db2.gz HZIFPYRLEGSAKP-OXJNMPFZSA-N 1 3 352.482 3.177 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CNC4)C2)CC1 ZINC000415988228 499938083 /nfs/dbraw/zinc/93/80/83/499938083.db2.gz CNIGDFNTGDUKOT-KRWDZBQOSA-N 1 3 356.514 3.266 20 0 FGADHO CN(C(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000416105961 499948952 /nfs/dbraw/zinc/94/89/52/499948952.db2.gz LVMKWGZTHINCPT-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO C[NH+](C)[C@H](CC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000416195367 499976735 /nfs/dbraw/zinc/97/67/35/499976735.db2.gz USRXSWKQLCQCQI-OAQYLSRUSA-N 1 3 366.509 3.107 20 0 FGADHO CO[C@H](CN1CCCC2(CCC[N@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440055 500106881 /nfs/dbraw/zinc/10/68/81/500106881.db2.gz COEVCVKPXGPPEQ-OSBQEZSISA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@H](CN1CCCC2(CCC[N@@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440055 500106883 /nfs/dbraw/zinc/10/68/83/500106883.db2.gz COEVCVKPXGPPEQ-OSBQEZSISA-N 1 3 350.547 3.014 20 0 FGADHO CCN(Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1)C1CC1 ZINC000576515678 506176684 /nfs/dbraw/zinc/17/66/84/506176684.db2.gz PJKULIALECTNHT-HNNXBMFYSA-N 1 3 370.522 3.196 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000417587096 500118613 /nfs/dbraw/zinc/11/86/13/500118613.db2.gz NMXBFGLSMTYBPZ-IRXDYDNUSA-N 1 3 354.498 3.026 20 0 FGADHO Cc1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc([O-])c2n1 ZINC000429695729 500124891 /nfs/dbraw/zinc/12/48/91/500124891.db2.gz HVOYYSGXAZCMEP-UHFFFAOYSA-N 1 3 369.509 3.326 20 0 FGADHO NC[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000416879001 500146519 /nfs/dbraw/zinc/14/65/19/500146519.db2.gz WPHXEUPJXWTOIM-FQEVSTJZSA-N 1 3 354.498 3.015 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000417021720 500185629 /nfs/dbraw/zinc/18/56/29/500185629.db2.gz KBAQFFLBYFZFSC-DYESRHJHSA-N 1 3 366.509 3.343 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417860904 500185693 /nfs/dbraw/zinc/18/56/93/500185693.db2.gz ZJDWYNDAUAVLLO-XUVXKRRUSA-N 1 3 354.498 3.012 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418046183 500219859 /nfs/dbraw/zinc/21/98/59/500219859.db2.gz PYWGWQBNRDBZIS-FPOVZHCZSA-N 1 3 360.546 3.056 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C(=O)N(C)C ZINC000418060045 500223486 /nfs/dbraw/zinc/22/34/86/500223486.db2.gz BFTCKQKMFIEWED-UHFFFAOYSA-N 1 3 353.510 3.472 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CCC([NH+](C)C)CC1)N(C)C ZINC000422210957 500234596 /nfs/dbraw/zinc/23/45/96/500234596.db2.gz VXKLHGAVQZLMQH-CKVGWXAMSA-N 1 3 360.546 3.158 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418150635 500237632 /nfs/dbraw/zinc/23/76/32/500237632.db2.gz DCCGFGOVKNWBGL-UXHICEINSA-N 1 3 374.573 3.302 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151215 500238081 /nfs/dbraw/zinc/23/80/81/500238081.db2.gz FGKWSCOZKGFSFR-PMACEKPBSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164490 500240193 /nfs/dbraw/zinc/24/01/93/500240193.db2.gz WYVVDSXGJOPBNS-YZGWKJHDSA-N 1 3 372.557 3.056 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N(C)C ZINC000418183993 500244199 /nfs/dbraw/zinc/24/41/99/500244199.db2.gz PFKVPKZJADMWJL-LMNJBCLMSA-N 1 3 372.557 3.017 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183366 500244512 /nfs/dbraw/zinc/24/45/12/500244512.db2.gz OKZYYFDFNOLPIR-SFHVURJKSA-N 1 3 366.937 3.103 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418207249 500249177 /nfs/dbraw/zinc/24/91/77/500249177.db2.gz BKQNYDHFBOAMSO-IBGZPJMESA-N 1 3 360.546 3.073 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418233570 500253870 /nfs/dbraw/zinc/25/38/70/500253870.db2.gz GUULIVDKKQWAFW-SLFFLAALSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587713 500259462 /nfs/dbraw/zinc/25/94/62/500259462.db2.gz ACASZGQXQKHLLI-OAHLLOKOSA-N 1 3 356.308 3.083 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322790 500262586 /nfs/dbraw/zinc/26/25/86/500262586.db2.gz FAWCVCAWHCRLAE-UZLBHIALSA-N 1 3 360.546 3.182 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000418365446 500268590 /nfs/dbraw/zinc/26/85/90/500268590.db2.gz XNUPOAWYKZJRMG-HXUWFJFHSA-N 1 3 358.530 3.080 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418421749 500274390 /nfs/dbraw/zinc/27/43/90/500274390.db2.gz CUUDNFGYPYFEDH-NQIIRXRSSA-N 1 3 372.557 3.373 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418421749 500274393 /nfs/dbraw/zinc/27/43/93/500274393.db2.gz CUUDNFGYPYFEDH-NQIIRXRSSA-N 1 3 372.557 3.373 20 0 FGADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418431390 500276116 /nfs/dbraw/zinc/27/61/16/500276116.db2.gz WZGCWQIYWNABDM-IEBWSBKVSA-N 1 3 360.546 3.371 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCCN1 ZINC000422701813 500287222 /nfs/dbraw/zinc/28/72/22/500287222.db2.gz CPHKCXGHOHIXFJ-IIAWOOMASA-N 1 3 352.320 3.148 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703276 500287854 /nfs/dbraw/zinc/28/78/54/500287854.db2.gz HKXCIKFXNUCWAN-FMKPAKJESA-N 1 3 352.320 3.006 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422703279 500287894 /nfs/dbraw/zinc/28/78/94/500287894.db2.gz HKXCIKFXNUCWAN-YCPHGPKFSA-N 1 3 352.320 3.006 20 0 FGADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711620 500288659 /nfs/dbraw/zinc/28/86/59/500288659.db2.gz MZVJFTQXRBFXDD-GBESFXJTSA-N 1 3 351.604 3.248 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715712 500289325 /nfs/dbraw/zinc/28/93/25/500289325.db2.gz MLPYAEXCMWOQLH-AZUAARDMSA-N 1 3 370.472 3.260 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809124 500300533 /nfs/dbraw/zinc/30/05/33/500300533.db2.gz PHMKINDUTJOGKM-XZOQPEGZSA-N 1 3 364.537 3.242 20 0 FGADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000422809124 500300535 /nfs/dbraw/zinc/30/05/35/500300535.db2.gz PHMKINDUTJOGKM-XZOQPEGZSA-N 1 3 364.537 3.242 20 0 FGADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814794 500301464 /nfs/dbraw/zinc/30/14/64/500301464.db2.gz WDOPUYQWVVHELW-YTFSRNRJSA-N 1 3 370.585 3.099 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422824292 500302420 /nfs/dbraw/zinc/30/24/20/500302420.db2.gz NJSCARAJEBXBJG-DZGCQCFKSA-N 1 3 353.894 3.106 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422826952 500302923 /nfs/dbraw/zinc/30/29/23/500302923.db2.gz RRBLLRBVHHOEQH-HIFRSBDPSA-N 1 3 353.894 3.093 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422826952 500302924 /nfs/dbraw/zinc/30/29/24/500302924.db2.gz RRBLLRBVHHOEQH-HIFRSBDPSA-N 1 3 353.894 3.093 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)CC1 ZINC000418667972 500304477 /nfs/dbraw/zinc/30/44/77/500304477.db2.gz GBPQUMIKOXPYMZ-LMDPOFIKSA-N 1 3 352.567 3.046 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863456 500307100 /nfs/dbraw/zinc/30/71/00/500307100.db2.gz PBLQEVWKMARJDF-PIPMEXSNSA-N 1 3 351.494 3.357 20 0 FGADHO CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418694619 500309302 /nfs/dbraw/zinc/30/93/02/500309302.db2.gz WAOLXMUNMKOINO-UYAOXDASSA-N 1 3 360.546 3.200 20 0 FGADHO CC[C@H]([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418706104 500310063 /nfs/dbraw/zinc/31/00/63/500310063.db2.gz FCKCFTVVBBIQNA-PMACEKPBSA-N 1 3 372.557 3.056 20 0 FGADHO COc1ccc(OCCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900647 500313635 /nfs/dbraw/zinc/31/36/35/500313635.db2.gz QVBIXDRGDGLCEH-RBBKRZOGSA-N 1 3 368.477 3.310 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900428 500313956 /nfs/dbraw/zinc/31/39/56/500313956.db2.gz QKSXYHSJJXQKRT-VKJFTORMSA-N 1 3 366.347 3.253 20 0 FGADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422905709 500314768 /nfs/dbraw/zinc/31/47/68/500314768.db2.gz IUEUNAGDTDEJRJ-ATZDWAIDSA-N 1 3 356.466 3.329 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906885 500314819 /nfs/dbraw/zinc/31/48/19/500314819.db2.gz KNPXCJQJIDNTNC-RDJZCZTQSA-N 1 3 374.479 3.442 20 0 FGADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922854 500317001 /nfs/dbraw/zinc/31/70/01/500317001.db2.gz QYJNDMHLJPNNBR-CHWSQXEVSA-N 1 3 351.800 3.382 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938175 500319606 /nfs/dbraw/zinc/31/96/06/500319606.db2.gz GTHQEOATAJHCBP-CJNGLKHVSA-N 1 3 366.889 3.075 20 0 FGADHO Fc1cccc(NCCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035578 500333621 /nfs/dbraw/zinc/33/36/21/500333621.db2.gz RWSADXRKFVQDJW-CTNGQTDRSA-N 1 3 355.457 3.473 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047832 500335348 /nfs/dbraw/zinc/33/53/48/500335348.db2.gz HGJIWASLAFQPNA-CXAGYDPISA-N 1 3 369.431 3.027 20 0 FGADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1OC ZINC000423128501 500345992 /nfs/dbraw/zinc/34/59/92/500345992.db2.gz DECXXNZOAFHFMK-YOEHRIQHSA-N 1 3 362.901 3.448 20 0 FGADHO CC[C@H](COCC(F)(F)F)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148391 500348559 /nfs/dbraw/zinc/34/85/59/500348559.db2.gz VMDKEARMZXASDG-UNEWFSDZSA-N 1 3 358.404 3.189 20 0 FGADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1Br ZINC000423169808 500350777 /nfs/dbraw/zinc/35/07/77/500350777.db2.gz ZZDVSYWVGOEPMZ-XYJFISCASA-N 1 3 369.347 3.016 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292438 500361876 /nfs/dbraw/zinc/36/18/76/500361876.db2.gz NAFXVLHYPICYBZ-HRAATJIYSA-N 1 3 365.481 3.228 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)c2ccccc2CC[NH2+]C)N(C)C)cc1 ZINC000423316323 500363063 /nfs/dbraw/zinc/36/30/63/500363063.db2.gz ZYCVRHFOWINVJB-OAQYLSRUSA-N 1 3 353.510 3.044 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393886 500370086 /nfs/dbraw/zinc/37/00/86/500370086.db2.gz RMZQMHYCMJYGSL-SMDDNHRTSA-N 1 3 369.353 3.192 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479273 500377480 /nfs/dbraw/zinc/37/74/80/500377480.db2.gz UXPPDFBEEGQCHN-KPACCLEDSA-N 1 3 358.501 3.456 20 0 FGADHO C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000423500006 500379356 /nfs/dbraw/zinc/37/93/56/500379356.db2.gz CNTLLUGGCOAWEL-BULFRSBZSA-N 1 3 353.510 3.033 20 0 FGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512031 500380688 /nfs/dbraw/zinc/38/06/88/500380688.db2.gz UFVWUWJWCDHHBK-KDOFPFPSSA-N 1 3 364.486 3.360 20 0 FGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515208 500381054 /nfs/dbraw/zinc/38/10/54/500381054.db2.gz XDKOXUGESOEQRR-DNVCBOLYSA-N 1 3 361.511 3.189 20 0 FGADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423775035 500400806 /nfs/dbraw/zinc/40/08/06/500400806.db2.gz OKXIRNYWGYKYQR-KYJSFNMBSA-N 1 3 351.922 3.085 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302549 500437587 /nfs/dbraw/zinc/43/75/87/500437587.db2.gz MOMSUPLVGUHOHZ-PKOBYXMFSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302549 500437589 /nfs/dbraw/zinc/43/75/89/500437589.db2.gz MOMSUPLVGUHOHZ-PKOBYXMFSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302549 500437590 /nfs/dbraw/zinc/43/75/90/500437590.db2.gz MOMSUPLVGUHOHZ-PKOBYXMFSA-N 1 3 354.450 3.303 20 0 FGADHO Ic1ccc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312409 500438829 /nfs/dbraw/zinc/43/88/29/500438829.db2.gz WXWXNHIHEHGRAH-XJKSGUPXSA-N 1 3 370.278 3.428 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313167 500440040 /nfs/dbraw/zinc/44/00/40/500440040.db2.gz XPRMJHFRRVGGKQ-PZJWPPBQSA-N 1 3 354.494 3.276 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313167 500440042 /nfs/dbraw/zinc/44/00/42/500440042.db2.gz XPRMJHFRRVGGKQ-PZJWPPBQSA-N 1 3 354.494 3.276 20 0 FGADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352845 500446416 /nfs/dbraw/zinc/44/64/16/500446416.db2.gz AYEWYYHHGLNLMX-ICSRJNTNSA-N 1 3 371.550 3.322 20 0 FGADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420352845 500446419 /nfs/dbraw/zinc/44/64/19/500446419.db2.gz AYEWYYHHGLNLMX-ICSRJNTNSA-N 1 3 371.550 3.322 20 0 FGADHO Clc1ccc(CCN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420371568 500449693 /nfs/dbraw/zinc/44/96/93/500449693.db2.gz KMGKZNDTMBNHDJ-MRXNPFEDSA-N 1 3 356.341 3.153 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000420384781 500452700 /nfs/dbraw/zinc/45/27/00/500452700.db2.gz SCUBEINYMCNKSJ-UNMCSNQZSA-N 1 3 354.494 3.437 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389025 500453713 /nfs/dbraw/zinc/45/37/13/500453713.db2.gz XSYVFOZQEDZKKH-QZTJIDSGSA-N 1 3 372.431 3.303 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397322 500455288 /nfs/dbraw/zinc/45/52/88/500455288.db2.gz XHMLQEYCLANCJV-WMZOPIPTSA-N 1 3 372.431 3.303 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000420421879 500457893 /nfs/dbraw/zinc/45/78/93/500457893.db2.gz YWZPXUZYSFAXHG-ZNLUXHQJSA-N 1 3 354.494 3.495 20 0 FGADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297566 500483262 /nfs/dbraw/zinc/48/32/62/500483262.db2.gz SXUMLTSEGJHPIE-WBVHZDCISA-N 1 3 361.555 3.048 20 0 FGADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428231480 500484364 /nfs/dbraw/zinc/48/43/64/500484364.db2.gz WFYSKYQVDHSCOI-NJDAHSKKSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428231480 500484366 /nfs/dbraw/zinc/48/43/66/500484366.db2.gz WFYSKYQVDHSCOI-NJDAHSKKSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428231480 500484368 /nfs/dbraw/zinc/48/43/68/500484368.db2.gz WFYSKYQVDHSCOI-NJDAHSKKSA-N 1 3 357.542 3.183 20 0 FGADHO CC[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)N1CCc2ccccc2C1 ZINC000424434267 500504784 /nfs/dbraw/zinc/50/47/84/500504784.db2.gz GEHORBLLUGJSGR-NRFANRHFSA-N 1 3 366.509 3.412 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000424439138 500505938 /nfs/dbraw/zinc/50/59/38/500505938.db2.gz REWNTOFNAUQFBB-JXFKEZNVSA-N 1 3 352.482 3.238 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N(C)C)cc1 ZINC000424443569 500506654 /nfs/dbraw/zinc/50/66/54/500506654.db2.gz KRVOTLLBJRZHMJ-HXUWFJFHSA-N 1 3 354.498 3.441 20 0 FGADHO CC(C)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425335 500514869 /nfs/dbraw/zinc/51/48/69/500514869.db2.gz MFGLZJRNZOHUKO-DNVCBOLYSA-N 1 3 361.486 3.321 20 0 FGADHO CC(C)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425335 500514872 /nfs/dbraw/zinc/51/48/72/500514872.db2.gz MFGLZJRNZOHUKO-DNVCBOLYSA-N 1 3 361.486 3.321 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420909876 500528038 /nfs/dbraw/zinc/52/80/38/500528038.db2.gz ZOGXNDJGEOPIEQ-UHFFFAOYSA-N 1 3 359.558 3.073 20 0 FGADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043673 500595610 /nfs/dbraw/zinc/59/56/10/500595610.db2.gz VNCCNOQAKMGTMC-FGZHOGPDSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043673 500595612 /nfs/dbraw/zinc/59/56/12/500595612.db2.gz VNCCNOQAKMGTMC-FGZHOGPDSA-N 1 3 371.569 3.477 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000437076619 500599282 /nfs/dbraw/zinc/59/92/82/500599282.db2.gz VPYIKTINHZBOTH-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000437076619 500599285 /nfs/dbraw/zinc/59/92/85/500599285.db2.gz VPYIKTINHZBOTH-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437076619 500599287 /nfs/dbraw/zinc/59/92/87/500599287.db2.gz VPYIKTINHZBOTH-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO C[NH+](C)CCOCCN[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000447592099 500630489 /nfs/dbraw/zinc/63/04/89/500630489.db2.gz GTDVXHMYHXWGIF-OAHLLOKOSA-N 1 3 361.711 3.258 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890596 500642117 /nfs/dbraw/zinc/64/21/17/500642117.db2.gz PDMZESIJNNVQAO-QGZVFWFLSA-N 1 3 351.922 3.169 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433316562 500670529 /nfs/dbraw/zinc/67/05/29/500670529.db2.gz ITNJREITTVNFLL-NRFANRHFSA-N 1 3 371.500 3.409 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000433575473 500715518 /nfs/dbraw/zinc/71/55/18/500715518.db2.gz NFRXCZCPZQUALR-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1cccc(OC[C@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443599573 500744071 /nfs/dbraw/zinc/74/40/71/500744071.db2.gz HAVRBLOHEFQFLI-OAQYLSRUSA-N 1 3 360.542 3.323 20 0 FGADHO C[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444024665 500793900 /nfs/dbraw/zinc/79/39/00/500793900.db2.gz XQWVJJKKSHFBEO-QRVBRYPASA-N 1 3 357.542 3.371 20 0 FGADHO CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440948 500843135 /nfs/dbraw/zinc/84/31/35/500843135.db2.gz FAGZYMMFHACGHX-OAQYLSRUSA-N 1 3 369.553 3.422 20 0 FGADHO CN(CCc1cccc(Cl)c1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000434469684 500848008 /nfs/dbraw/zinc/84/80/08/500848008.db2.gz KFGGPONDNSIEFH-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO CN(CCc1cccc(Cl)c1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000434469684 500848010 /nfs/dbraw/zinc/84/80/10/500848010.db2.gz KFGGPONDNSIEFH-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000439200281 500869217 /nfs/dbraw/zinc/86/92/17/500869217.db2.gz PWIOQEPTHRFWCR-QYZOEREBSA-N 1 3 352.567 3.011 20 0 FGADHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000444844794 500910145 /nfs/dbraw/zinc/91/01/45/500910145.db2.gz DXPNNPLWYBXROJ-UHFFFAOYSA-N 1 3 358.530 3.238 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@H](C)O1 ZINC000449100152 500924835 /nfs/dbraw/zinc/92/48/35/500924835.db2.gz AWEZGGHHQXGYQZ-HDICACEKSA-N 1 3 362.514 3.217 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2cnc(-c3ccccc3F)s2)CC1 ZINC000449222644 500951887 /nfs/dbraw/zinc/95/18/87/500951887.db2.gz MZTORSWKMGDZPJ-UHFFFAOYSA-N 1 3 362.518 3.065 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN1C1CCCC1 ZINC000439905072 500953477 /nfs/dbraw/zinc/95/34/77/500953477.db2.gz SLVXOIAWIYZJFC-OAQYLSRUSA-N 1 3 355.526 3.306 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000435375665 500962947 /nfs/dbraw/zinc/96/29/47/500962947.db2.gz NGJNXTDOFDILOL-INIZCTEOSA-N 1 3 355.482 3.228 20 0 FGADHO COc1ccc(-n2cc(CN3CC[C@H](C4CC[NH+](C)CC4)C3)cn2)cc1 ZINC000449325039 500977315 /nfs/dbraw/zinc/97/73/15/500977315.db2.gz JGZLCVLPVVCZIP-IBGZPJMESA-N 1 3 354.498 3.045 20 0 FGADHO CCC[NH+]1CCC(N[C@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000449467017 501009128 /nfs/dbraw/zinc/00/91/28/501009128.db2.gz JZUJXSLTQUPZAC-OAHLLOKOSA-N 1 3 350.503 3.107 20 0 FGADHO C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000446596396 501139763 /nfs/dbraw/zinc/13/97/63/501139763.db2.gz ZIOGPTLVWCLPAJ-GOSISDBHSA-N 1 3 368.525 3.433 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000446880830 501176788 /nfs/dbraw/zinc/17/67/88/501176788.db2.gz JCIUKOKANPLSJT-NQIIRXRSSA-N 1 3 371.529 3.272 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000446880831 501176931 /nfs/dbraw/zinc/17/69/31/501176931.db2.gz JCIUKOKANPLSJT-RXVVDRJESA-N 1 3 371.529 3.272 20 0 FGADHO C(CN1CCCC2(CCC[N@H+](CC[C@H]3CCOC3)C2)C1)[C@H]1CCOC1 ZINC000451045985 501241553 /nfs/dbraw/zinc/24/15/53/501241553.db2.gz NKENWYLTOSNAOH-AHTKWCMKSA-N 1 3 350.547 3.018 20 0 FGADHO C(CN1CCCC2(CCC[N@@H+](CC[C@H]3CCOC3)C2)C1)[C@H]1CCOC1 ZINC000451045985 501241554 /nfs/dbraw/zinc/24/15/54/501241554.db2.gz NKENWYLTOSNAOH-AHTKWCMKSA-N 1 3 350.547 3.018 20 0 FGADHO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000453059831 501260545 /nfs/dbraw/zinc/26/05/45/501260545.db2.gz AOKFNNZEVGTSEG-HXUWFJFHSA-N 1 3 366.553 3.330 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453169621 501284097 /nfs/dbraw/zinc/28/40/97/501284097.db2.gz XVWHRGRLMSFKCC-ZCNNSNEGSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453169621 501284099 /nfs/dbraw/zinc/28/40/99/501284099.db2.gz XVWHRGRLMSFKCC-ZCNNSNEGSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(OCCN(C)C)c1 ZINC000453254946 501300570 /nfs/dbraw/zinc/30/05/70/501300570.db2.gz YZEJRJKFVDTIIH-OXJNMPFZSA-N 1 3 360.473 3.020 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453399819 501324712 /nfs/dbraw/zinc/32/47/12/501324712.db2.gz LQHFVRXPOBXJMW-VSKRKVRLSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453399819 501324716 /nfs/dbraw/zinc/32/47/16/501324716.db2.gz LQHFVRXPOBXJMW-VSKRKVRLSA-N 1 3 350.510 3.360 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455910854 501413269 /nfs/dbraw/zinc/41/32/69/501413269.db2.gz IXXVMUWUFCXLSQ-WSTZPKSXSA-N 1 3 356.514 3.326 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000452160165 501448356 /nfs/dbraw/zinc/44/83/56/501448356.db2.gz BWYPDTBKHUIVTR-MJGOQNOKSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000452160165 501448357 /nfs/dbraw/zinc/44/83/57/501448357.db2.gz BWYPDTBKHUIVTR-MJGOQNOKSA-N 1 3 363.571 3.392 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453064 /nfs/dbraw/zinc/45/30/64/501453064.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 1 3 357.542 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453067 /nfs/dbraw/zinc/45/30/67/501453067.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 1 3 357.542 3.473 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519911 501464937 /nfs/dbraw/zinc/46/49/37/501464937.db2.gz WLBGTSFPDZBWPX-UYAOXDASSA-N 1 3 374.573 3.317 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555120 501473265 /nfs/dbraw/zinc/47/32/65/501473265.db2.gz LZPFAAHULZYSNT-BVOGOJNSSA-N 1 3 372.557 3.097 20 0 FGADHO Cn1cncc1CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495039 506255412 /nfs/dbraw/zinc/25/54/12/506255412.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495039 506255422 /nfs/dbraw/zinc/25/54/22/506255422.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000582495039 506255428 /nfs/dbraw/zinc/25/54/28/506255428.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000582495039 506255435 /nfs/dbraw/zinc/25/54/35/506255435.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 1 3 352.526 3.339 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCC2=CCN(C)CC2)[NH+](CC)CC)cc1 ZINC000458793100 501532986 /nfs/dbraw/zinc/53/29/86/501532986.db2.gz MCMGOMMOSPSQLA-OAQYLSRUSA-N 1 3 372.557 3.193 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](CC(C)(C)C)C3)CC2)CC1 ZINC000454451262 501548385 /nfs/dbraw/zinc/54/83/85/501548385.db2.gz IWOQQHZVVBTOFR-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000454457449 501549846 /nfs/dbraw/zinc/54/98/46/501549846.db2.gz OTDOAGHFBVOZBL-SQNIBIBYSA-N 1 3 364.578 3.059 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459270010 501622888 /nfs/dbraw/zinc/62/28/88/501622888.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459270010 501622889 /nfs/dbraw/zinc/62/28/89/501622889.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CC[C@@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459387808 501644359 /nfs/dbraw/zinc/64/43/59/501644359.db2.gz KFJDZTPVHBICEE-KRWDZBQOSA-N 1 3 353.514 3.492 20 0 FGADHO C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000457200756 501664296 /nfs/dbraw/zinc/66/42/96/501664296.db2.gz LZBPBPDFKBXPTA-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000457200756 501664298 /nfs/dbraw/zinc/66/42/98/501664298.db2.gz LZBPBPDFKBXPTA-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459566609 501678036 /nfs/dbraw/zinc/67/80/36/501678036.db2.gz HOLRQDHNZHRLRA-DLBZAZTESA-N 1 3 364.493 3.006 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457364156 501687783 /nfs/dbraw/zinc/68/77/83/501687783.db2.gz BQDHHKIZIWZADF-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000455121828 501691982 /nfs/dbraw/zinc/69/19/82/501691982.db2.gz VJIVXXWFWIAARN-UHFFFAOYSA-N 1 3 372.557 3.170 20 0 FGADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1 ZINC000457413410 501694979 /nfs/dbraw/zinc/69/49/79/501694979.db2.gz CJVFVVQLAGBHRU-LJQANCHMSA-N 1 3 374.554 3.124 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000460107791 501727397 /nfs/dbraw/zinc/72/73/97/501727397.db2.gz LPJHHEHTAIMCPF-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383400 501810136 /nfs/dbraw/zinc/81/01/36/501810136.db2.gz IAKYWFNHLFLCCQ-ZVDOUQERSA-N 1 3 368.562 3.131 20 0 FGADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476919 501831832 /nfs/dbraw/zinc/83/18/32/501831832.db2.gz QNUUDGKHGLBUGT-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000470876310 501839687 /nfs/dbraw/zinc/83/96/87/501839687.db2.gz RSANQNCYAPAFRU-SFHVURJKSA-N 1 3 361.530 3.133 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000470876310 501839689 /nfs/dbraw/zinc/83/96/89/501839689.db2.gz RSANQNCYAPAFRU-SFHVURJKSA-N 1 3 361.530 3.133 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470899346 501846515 /nfs/dbraw/zinc/84/65/15/501846515.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470899346 501846516 /nfs/dbraw/zinc/84/65/16/501846516.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000464061236 501887139 /nfs/dbraw/zinc/88/71/39/501887139.db2.gz AUDMMRLXMQLYMO-PCCBWWKXSA-N 1 3 360.542 3.354 20 0 FGADHO Cc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000474598972 501887700 /nfs/dbraw/zinc/88/77/00/501887700.db2.gz LXJLSOQDSYLRJH-OALUTQOASA-N 1 3 356.514 3.160 20 0 FGADHO COC(=O)c1ccccc1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471025631 501895016 /nfs/dbraw/zinc/89/50/16/501895016.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 1 3 364.489 3.080 20 0 FGADHO COC(=O)c1ccccc1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471025631 501895020 /nfs/dbraw/zinc/89/50/20/501895020.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 1 3 364.489 3.080 20 0 FGADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000485669293 501895123 /nfs/dbraw/zinc/89/51/23/501895123.db2.gz DYWSYDHJDJJGSR-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000485669293 501895131 /nfs/dbraw/zinc/89/51/31/501895131.db2.gz DYWSYDHJDJJGSR-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)CC1CCCC1 ZINC000482033582 501952913 /nfs/dbraw/zinc/95/29/13/501952913.db2.gz OVYHFSHZGGMVLZ-RXVVDRJESA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)CC1CCCC1 ZINC000482033582 501952920 /nfs/dbraw/zinc/95/29/20/501952920.db2.gz OVYHFSHZGGMVLZ-RXVVDRJESA-N 1 3 357.542 3.183 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000482121077 501981253 /nfs/dbraw/zinc/98/12/53/501981253.db2.gz KVFROBZCDSLLRX-OAQYLSRUSA-N 1 3 356.489 3.474 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000468466656 502067282 /nfs/dbraw/zinc/06/72/82/502067282.db2.gz KQFOTGLQFYMMJU-SFHVURJKSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000471594219 502079608 /nfs/dbraw/zinc/07/96/08/502079608.db2.gz CBLRIDJMZPRBQL-SQNIBIBYSA-N 1 3 371.525 3.304 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791407 502086396 /nfs/dbraw/zinc/08/63/96/502086396.db2.gz DRUHYNZEUUHBLS-ICSRJNTNSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475183032 502092202 /nfs/dbraw/zinc/09/22/02/502092202.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475183032 502092210 /nfs/dbraw/zinc/09/22/10/502092210.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000468664660 502140675 /nfs/dbraw/zinc/14/06/75/502140675.db2.gz BQKPIRQMVMDBJX-CTNGQTDRSA-N 1 3 374.573 3.270 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179261 /nfs/dbraw/zinc/17/92/61/502179261.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179268 /nfs/dbraw/zinc/17/92/68/502179268.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 1 3 360.546 3.021 20 0 FGADHO NC[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479195182 502189925 /nfs/dbraw/zinc/18/99/25/502189925.db2.gz ZWAYHMMBCBOAJX-FQEVSTJZSA-N 1 3 355.457 3.145 20 0 FGADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227240 502198438 /nfs/dbraw/zinc/19/84/38/502198438.db2.gz SZALSALCEHLMRZ-NHCUHLMSSA-N 1 3 369.484 3.039 20 0 FGADHO CCCOc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894712 502209659 /nfs/dbraw/zinc/20/96/59/502209659.db2.gz WWOXQISWHVPIJJ-KRWDZBQOSA-N 1 3 361.530 3.069 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211823 /nfs/dbraw/zinc/21/18/23/502211823.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 1 3 359.514 3.220 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211829 /nfs/dbraw/zinc/21/18/29/502211829.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 1 3 359.514 3.220 20 0 FGADHO CN1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)(N2CCCCC2)CC1 ZINC000486706232 502238473 /nfs/dbraw/zinc/23/84/73/502238473.db2.gz KDQUUUNAXNOAJG-UHFFFAOYSA-N 1 3 358.505 3.347 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472232999 502279542 /nfs/dbraw/zinc/27/95/42/502279542.db2.gz WCXORWOSEUPGCQ-PGRDOPGGSA-N 1 3 369.553 3.245 20 0 FGADHO CCN(CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284798 /nfs/dbraw/zinc/28/47/98/502284798.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CCN(CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284802 /nfs/dbraw/zinc/28/48/02/502284802.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147810 502291288 /nfs/dbraw/zinc/29/12/88/502291288.db2.gz SKFXCADURBXPJE-GHTZIAJQSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147810 502291293 /nfs/dbraw/zinc/29/12/93/502291293.db2.gz SKFXCADURBXPJE-GHTZIAJQSA-N 1 3 356.514 3.099 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)CC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910453 502300673 /nfs/dbraw/zinc/30/06/73/502300673.db2.gz HYKRGKUYFRIWFK-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)CC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910453 502300678 /nfs/dbraw/zinc/30/06/78/502300678.db2.gz HYKRGKUYFRIWFK-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000465579870 502314185 /nfs/dbraw/zinc/31/41/85/502314185.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000465579870 502314189 /nfs/dbraw/zinc/31/41/89/502314189.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000475897573 502324587 /nfs/dbraw/zinc/32/45/87/502324587.db2.gz NPEXGZYMNAKOCI-CQSZACIVSA-N 1 3 355.473 3.022 20 0 FGADHO CCCN(CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000479678695 502341033 /nfs/dbraw/zinc/34/10/33/502341033.db2.gz VGVXTDPMHGEQKG-UHFFFAOYSA-N 1 3 357.420 3.144 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766862 502377524 /nfs/dbraw/zinc/37/75/24/502377524.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766862 502377531 /nfs/dbraw/zinc/37/75/31/502377531.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 1 3 370.541 3.136 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000465814883 502392487 /nfs/dbraw/zinc/39/24/87/502392487.db2.gz MWAHGCCKIMLPAD-NHCUHLMSSA-N 1 3 372.557 3.258 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822361 502396013 /nfs/dbraw/zinc/39/60/13/502396013.db2.gz VZOOWROLOMBKJP-NHCUHLMSSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822361 502396015 /nfs/dbraw/zinc/39/60/15/502396015.db2.gz VZOOWROLOMBKJP-NHCUHLMSSA-N 1 3 372.557 3.161 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465846392 502401869 /nfs/dbraw/zinc/40/18/69/502401869.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465846392 502401873 /nfs/dbraw/zinc/40/18/73/502401873.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465886180 502416110 /nfs/dbraw/zinc/41/61/10/502416110.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465886180 502416112 /nfs/dbraw/zinc/41/61/12/502416112.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000483617976 502444527 /nfs/dbraw/zinc/44/45/27/502444527.db2.gz SMMULFBDLJROEI-AOIWGVFYSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000483617976 502444529 /nfs/dbraw/zinc/44/45/29/502444529.db2.gz SMMULFBDLJROEI-AOIWGVFYSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628928 502447634 /nfs/dbraw/zinc/44/76/34/502447634.db2.gz RYINXQQEIJFZGO-ZWOKBUDYSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628928 502447636 /nfs/dbraw/zinc/44/76/36/502447636.db2.gz RYINXQQEIJFZGO-ZWOKBUDYSA-N 1 3 352.494 3.320 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000487482875 502455370 /nfs/dbraw/zinc/45/53/70/502455370.db2.gz JYYXYAIUUAFOOO-LJQANCHMSA-N 1 3 353.466 3.386 20 0 FGADHO CN(C)[C@@H]1CCOc2c(NC(=O)c3ccccc3C[NH+](C)C)cccc21 ZINC000487482875 502455375 /nfs/dbraw/zinc/45/53/75/502455375.db2.gz JYYXYAIUUAFOOO-LJQANCHMSA-N 1 3 353.466 3.386 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000487518986 502465487 /nfs/dbraw/zinc/46/54/87/502465487.db2.gz QLLRZXUUKNZOHV-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000487518986 502465488 /nfs/dbraw/zinc/46/54/88/502465488.db2.gz QLLRZXUUKNZOHV-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)Nc1cccnc1 ZINC000483721884 502474331 /nfs/dbraw/zinc/47/43/31/502474331.db2.gz GXTZOOUAHKMAFD-OEWRPIJISA-N 1 3 366.509 3.156 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)Nc1cccnc1 ZINC000483721884 502474334 /nfs/dbraw/zinc/47/43/34/502474334.db2.gz GXTZOOUAHKMAFD-OEWRPIJISA-N 1 3 366.509 3.156 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484410 /nfs/dbraw/zinc/48/44/10/502484410.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484411 /nfs/dbraw/zinc/48/44/11/502484411.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 1 3 372.557 3.336 20 0 FGADHO CCCCC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000487663952 502500410 /nfs/dbraw/zinc/50/04/10/502500410.db2.gz IDUOFCXMPIIQHZ-FQEVSTJZSA-N 1 3 364.578 3.299 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000483952915 502530959 /nfs/dbraw/zinc/53/09/59/502530959.db2.gz IHMSXSKTRTUXBK-SFHVURJKSA-N 1 3 358.530 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000483952915 502530962 /nfs/dbraw/zinc/53/09/62/502530962.db2.gz IHMSXSKTRTUXBK-SFHVURJKSA-N 1 3 358.530 3.387 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)N1CCCCC1 ZINC000469757311 502533507 /nfs/dbraw/zinc/53/35/07/502533507.db2.gz LXOUHVRBSQRTTK-OALUTQOASA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761559 502535617 /nfs/dbraw/zinc/53/56/17/502535617.db2.gz UTPPQYKJOREGPA-ROUUACIJSA-N 1 3 359.558 3.285 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750262 502557054 /nfs/dbraw/zinc/55/70/54/502557054.db2.gz NKLSFKADLOLASZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750262 502557059 /nfs/dbraw/zinc/55/70/59/502557059.db2.gz NKLSFKADLOLASZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484134143 502579148 /nfs/dbraw/zinc/57/91/48/502579148.db2.gz JUFDAPLKRHKSLA-QWHCGFSZSA-N 1 3 361.313 3.196 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469884988 502583386 /nfs/dbraw/zinc/58/33/86/502583386.db2.gz RBXFLLXWEKXPNZ-KSEOMHKRSA-N 1 3 352.526 3.416 20 0 FGADHO CC1CC[NH+](CCC[C@H](NC[C@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817006 502585509 /nfs/dbraw/zinc/58/55/09/502585509.db2.gz NDSKIKQSFDENIZ-SFTDATJTSA-N 1 3 364.505 3.384 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584086 502610540 /nfs/dbraw/zinc/61/05/40/502610540.db2.gz PEAYUQUYJWZNDX-JAXLGGSGSA-N 1 3 359.558 3.158 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365743 502633514 /nfs/dbraw/zinc/63/35/14/502633514.db2.gz HDWJJXOBELOMTM-DOTOQJQBSA-N 1 3 364.534 3.271 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480662664 502635934 /nfs/dbraw/zinc/63/59/34/502635934.db2.gz VIGYSSLGOPXARU-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000480895948 502699772 /nfs/dbraw/zinc/69/97/72/502699772.db2.gz AHYXYYPSNZLZNA-SFHVURJKSA-N 1 3 369.509 3.016 20 0 FGADHO CC[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000480920726 502705505 /nfs/dbraw/zinc/70/55/05/502705505.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 1 3 357.542 3.204 20 0 FGADHO CC[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000480920726 502705511 /nfs/dbraw/zinc/70/55/11/502705511.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 1 3 357.542 3.204 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243763 502714440 /nfs/dbraw/zinc/71/44/40/502714440.db2.gz PJDPPGLAYVAELC-MPGHIAIKSA-N 1 3 371.447 3.484 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243763 502714442 /nfs/dbraw/zinc/71/44/42/502714442.db2.gz PJDPPGLAYVAELC-MPGHIAIKSA-N 1 3 371.447 3.484 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027761 502732687 /nfs/dbraw/zinc/73/26/87/502732687.db2.gz VKFLDEICIWXRGJ-ZFWWWQNUSA-N 1 3 362.461 3.448 20 0 FGADHO CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473884247 502737175 /nfs/dbraw/zinc/73/71/75/502737175.db2.gz HLSPCGOTISQTSB-UYAOXDASSA-N 1 3 360.546 3.195 20 0 FGADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473883593 502737516 /nfs/dbraw/zinc/73/75/16/502737516.db2.gz ZVYVLHLFCNIPQE-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000488584017 502757535 /nfs/dbraw/zinc/75/75/35/502757535.db2.gz QHDJOYVARDJJBE-RXVVDRJESA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000488584017 502757542 /nfs/dbraw/zinc/75/75/42/502757542.db2.gz QHDJOYVARDJJBE-RXVVDRJESA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000488584014 502757987 /nfs/dbraw/zinc/75/79/87/502757987.db2.gz QHDJOYVARDJJBE-NQIIRXRSSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000488584014 502757988 /nfs/dbraw/zinc/75/79/88/502757988.db2.gz QHDJOYVARDJJBE-NQIIRXRSSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000481180069 502775344 /nfs/dbraw/zinc/77/53/44/502775344.db2.gz LDGHFWAHECAAQZ-ZWCUEREDSA-N 1 3 371.569 3.490 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500823337 502871220 /nfs/dbraw/zinc/87/12/20/502871220.db2.gz AHIOIELRCWCHDR-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500823337 502871222 /nfs/dbraw/zinc/87/12/22/502871222.db2.gz AHIOIELRCWCHDR-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000500991930 502907862 /nfs/dbraw/zinc/90/78/62/502907862.db2.gz XFWXRYOFSAFFLJ-XLIONFOSSA-N 1 3 367.965 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749464 502978337 /nfs/dbraw/zinc/97/83/37/502978337.db2.gz IXOVOXAKJVVGMX-IBGZPJMESA-N 1 3 362.562 3.174 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749464 502978341 /nfs/dbraw/zinc/97/83/41/502978341.db2.gz IXOVOXAKJVVGMX-IBGZPJMESA-N 1 3 362.562 3.174 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760658 502980724 /nfs/dbraw/zinc/98/07/24/502980724.db2.gz VXDFNHGZYKEODT-OAQYLSRUSA-N 1 3 359.558 3.111 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760658 502980726 /nfs/dbraw/zinc/98/07/26/502980726.db2.gz VXDFNHGZYKEODT-OAQYLSRUSA-N 1 3 359.558 3.111 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875425 503003772 /nfs/dbraw/zinc/00/37/72/503003772.db2.gz WCCAGDDSLZUHQU-MSOLQXFVSA-N 1 3 351.494 3.141 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccc(O)cc3)cc2)CC1 ZINC000509959537 503018345 /nfs/dbraw/zinc/01/83/45/503018345.db2.gz XFMDUQPFTZYGJU-LJQANCHMSA-N 1 3 367.537 3.251 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515802 503026525 /nfs/dbraw/zinc/02/65/25/503026525.db2.gz CUEOOZWPQBYORS-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501515802 503026530 /nfs/dbraw/zinc/02/65/30/503026530.db2.gz CUEOOZWPQBYORS-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000501547122 503034504 /nfs/dbraw/zinc/03/45/04/503034504.db2.gz RSROJLFXCSVBMS-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000513891553 503042881 /nfs/dbraw/zinc/04/28/81/503042881.db2.gz ITOIZZQYKRYKHR-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000513891553 503042884 /nfs/dbraw/zinc/04/28/84/503042884.db2.gz ITOIZZQYKRYKHR-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964967 503076885 /nfs/dbraw/zinc/07/68/85/503076885.db2.gz NIRIFQWIVZADTG-ZWOKBUDYSA-N 1 3 361.530 3.066 20 0 FGADHO [NH3+]CCCN(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CCCC1 ZINC000489986549 503082897 /nfs/dbraw/zinc/08/28/97/503082897.db2.gz FMFHVESKGQWRBD-UHFFFAOYSA-N 1 3 356.470 3.146 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000498031118 503091292 /nfs/dbraw/zinc/09/12/92/503091292.db2.gz XYAYKWDMMCSSQQ-YYWHXJBOSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000498031118 503091297 /nfs/dbraw/zinc/09/12/97/503091297.db2.gz XYAYKWDMMCSSQQ-YYWHXJBOSA-N 1 3 374.573 3.270 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000510336828 503094190 /nfs/dbraw/zinc/09/41/90/503094190.db2.gz NPKNONXPQKASOR-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336828 503094194 /nfs/dbraw/zinc/09/41/94/503094194.db2.gz NPKNONXPQKASOR-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000510350293 503096878 /nfs/dbraw/zinc/09/68/78/503096878.db2.gz HYTOHNGJUADXHJ-QZTJIDSGSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514220105 503116269 /nfs/dbraw/zinc/11/62/69/503116269.db2.gz UWLHYURNDOOPCG-ZJOUEHCJSA-N 1 3 374.573 3.265 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000498270602 503147694 /nfs/dbraw/zinc/14/76/94/503147694.db2.gz AQSOZFNSULSHOR-WMQCIHAUSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000498270602 503147700 /nfs/dbraw/zinc/14/77/00/503147700.db2.gz AQSOZFNSULSHOR-WMQCIHAUSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCc2nc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)sc2C1 ZINC000498351466 503164185 /nfs/dbraw/zinc/16/41/85/503164185.db2.gz CJDCDEPVXHROMT-BZUAXINKSA-N 1 3 351.560 3.247 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000514783825 503192217 /nfs/dbraw/zinc/19/22/17/503192217.db2.gz DTNBVGCOWLJXEL-FXAWDEMLSA-N 1 3 358.530 3.084 20 0 FGADHO C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000490987783 503256495 /nfs/dbraw/zinc/25/64/95/503256495.db2.gz MXZHDHGSDDAPQF-PXNSSMCTSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CCN(C)CC1 ZINC000490987783 503256498 /nfs/dbraw/zinc/25/64/98/503256498.db2.gz MXZHDHGSDDAPQF-PXNSSMCTSA-N 1 3 370.566 3.268 20 0 FGADHO CC(C)Sc1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000511122368 503261594 /nfs/dbraw/zinc/26/15/94/503261594.db2.gz QGMWYHHAUPWBSK-UHFFFAOYSA-N 1 3 363.571 3.077 20 0 FGADHO C[C@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491101985 503273397 /nfs/dbraw/zinc/27/33/97/503273397.db2.gz KJLCRLRGYKFCJZ-BBTUJRGHSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491101985 503273399 /nfs/dbraw/zinc/27/33/99/503273399.db2.gz KJLCRLRGYKFCJZ-BBTUJRGHSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN2C)CCCC1)c1ccccc1 ZINC000502798785 503274691 /nfs/dbraw/zinc/27/46/91/503274691.db2.gz NWDWPEWACACHHU-HKUYNNGSSA-N 1 3 358.530 3.043 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286948 /nfs/dbraw/zinc/28/69/48/503286948.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 1 3 372.557 3.213 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286951 /nfs/dbraw/zinc/28/69/51/503286951.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502916174 503307629 /nfs/dbraw/zinc/30/76/29/503307629.db2.gz DPIJKMFAUMMVJZ-MSOLQXFVSA-N 1 3 360.546 3.289 20 0 FGADHO C[NH+](C)CCOCCNCc1ccc(-c2cccc(Br)c2)o1 ZINC000499230837 503360859 /nfs/dbraw/zinc/36/08/59/503360859.db2.gz UJIRSDXXJWTVOT-UHFFFAOYSA-N 1 3 367.287 3.377 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811091 503406178 /nfs/dbraw/zinc/40/61/78/503406178.db2.gz OMYCLNHDIKUOBN-CRAIPNDOSA-N 1 3 366.937 3.103 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428407 503407275 /nfs/dbraw/zinc/40/72/75/503407275.db2.gz OEJAVQQURNYTOB-FCCDEINASA-N 1 3 362.518 3.025 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503443843 503410745 /nfs/dbraw/zinc/41/07/45/503410745.db2.gz SCIUZPCEVOGHHY-HXUWFJFHSA-N 1 3 364.578 3.016 20 0 FGADHO CCCN1CCN(c2ccccc2CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000516215158 503472758 /nfs/dbraw/zinc/47/27/58/503472758.db2.gz IKKJTMUVXUXKGS-IFMALSPDSA-N 1 3 370.585 3.277 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058828 503480798 /nfs/dbraw/zinc/48/07/98/503480798.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058828 503480802 /nfs/dbraw/zinc/48/08/02/503480802.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195457 503483323 /nfs/dbraw/zinc/48/33/23/503483323.db2.gz NUGBASLNCYJXIR-NQIIRXRSSA-N 1 3 357.542 3.449 20 0 FGADHO Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000582706959 506376383 /nfs/dbraw/zinc/37/63/83/506376383.db2.gz VZPVGYVWHPUGQG-GXRSIYKFSA-N 1 3 374.500 3.140 20 0 FGADHO CN1CCC[C@H](C[N@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508534917 503515546 /nfs/dbraw/zinc/51/55/46/503515546.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 1 3 365.315 3.499 20 0 FGADHO CN1CCC[C@H](C[N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508534917 503515548 /nfs/dbraw/zinc/51/55/48/503515548.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 1 3 365.315 3.499 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000516560585 503536567 /nfs/dbraw/zinc/53/65/67/503536567.db2.gz TXZHOMCPMNZCJH-UTKZUKDTSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)N3CCCCCC3)c2)CC1 ZINC000504198949 503538052 /nfs/dbraw/zinc/53/80/52/503538052.db2.gz GQTMKSSJCIWMAY-IBGZPJMESA-N 1 3 372.557 3.420 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](N(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435495 503549881 /nfs/dbraw/zinc/54/98/81/503549881.db2.gz JDIYFCBDRDINRS-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](N(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435495 503549886 /nfs/dbraw/zinc/54/98/86/503549886.db2.gz JDIYFCBDRDINRS-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000516633230 503555975 /nfs/dbraw/zinc/55/59/75/503555975.db2.gz JYEDDMHOPITLPH-UHFFFAOYSA-N 1 3 370.419 3.072 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000500113459 503556843 /nfs/dbraw/zinc/55/68/43/503556843.db2.gz VCFVUVWWBDYDBC-RLHVNXBHSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)CCOc1cc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)ccn1 ZINC000516685433 503568689 /nfs/dbraw/zinc/56/86/89/503568689.db2.gz SXOOITZTTIHICD-UHFFFAOYSA-N 1 3 361.436 3.336 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000508899875 503594737 /nfs/dbraw/zinc/59/47/37/503594737.db2.gz WIDLRQIFHLUZKW-OPYAIIAOSA-N 1 3 374.573 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C ZINC000508926894 503601941 /nfs/dbraw/zinc/60/19/41/503601941.db2.gz WMAITRORPNEQMI-NQIIRXRSSA-N 1 3 372.557 3.256 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025131 503646595 /nfs/dbraw/zinc/64/65/95/503646595.db2.gz JEYCXCIWIUASOJ-SIKLNZKXSA-N 1 3 368.521 3.415 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC(CC)(C3CC3)C3CC3)CC2)CC1 ZINC000529801252 503706528 /nfs/dbraw/zinc/70/65/28/503706528.db2.gz YFIVAKDFDPOPGY-UHFFFAOYSA-N 1 3 361.574 3.268 20 0 FGADHO Cc1cc([C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)ccc1F ZINC000540301308 503732857 /nfs/dbraw/zinc/73/28/57/503732857.db2.gz HHIIJXFHIQEWJD-NRFANRHFSA-N 1 3 361.505 3.118 20 0 FGADHO Cc1cccc(C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C2CC2)c1 ZINC000536832701 503736449 /nfs/dbraw/zinc/73/64/49/503736449.db2.gz MPHXXXGQTPRRHQ-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1nccn1C ZINC000540394219 503757091 /nfs/dbraw/zinc/75/70/91/503757091.db2.gz JMUGMLJJFUJQQX-FHWLQOOXSA-N 1 3 370.541 3.280 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000543406857 503757945 /nfs/dbraw/zinc/75/79/45/503757945.db2.gz MYHKBYGWNFSDJE-NFBKMPQASA-N 1 3 373.585 3.470 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000543406857 503757947 /nfs/dbraw/zinc/75/79/47/503757947.db2.gz MYHKBYGWNFSDJE-NFBKMPQASA-N 1 3 373.585 3.470 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024185 503797997 /nfs/dbraw/zinc/79/79/97/503797997.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024185 503798002 /nfs/dbraw/zinc/79/80/02/503798002.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO Cc1ccccc1OCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000543524698 503801743 /nfs/dbraw/zinc/80/17/43/503801743.db2.gz NZMHQPDFYQXYPS-UHFFFAOYSA-N 1 3 359.558 3.113 20 0 FGADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000540593401 503827210 /nfs/dbraw/zinc/82/72/10/503827210.db2.gz FLUPBIRXQUYGMH-HOTGVXAUSA-N 1 3 357.498 3.233 20 0 FGADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1CCCCC1 ZINC000517812463 503843919 /nfs/dbraw/zinc/84/39/19/503843919.db2.gz XRWRZCVCVDELNE-SFTDATJTSA-N 1 3 363.590 3.467 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715227 503864407 /nfs/dbraw/zinc/86/44/07/503864407.db2.gz LKFYUNSDFWDUDI-RTBURBONSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715227 503864412 /nfs/dbraw/zinc/86/44/12/503864412.db2.gz LKFYUNSDFWDUDI-RTBURBONSA-N 1 3 358.530 3.021 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213114 503879736 /nfs/dbraw/zinc/87/97/36/503879736.db2.gz VCMQRKMQZIRMKB-HJNYFJLDSA-N 1 3 368.477 3.228 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000527667942 503885097 /nfs/dbraw/zinc/88/50/97/503885097.db2.gz WQTBNILXIWWABJ-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccc(C(C)(C)NCCOCC[NH2+]C(C)(C)c2ccc(C)nc2)cn1 ZINC000546810266 503886461 /nfs/dbraw/zinc/88/64/61/503886461.db2.gz XGLTWLFHJWLTKI-UHFFFAOYSA-N 1 3 370.541 3.460 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238803 503888360 /nfs/dbraw/zinc/88/83/60/503888360.db2.gz CIBFADGTWRNOBD-RDTXWAMCSA-N 1 3 354.441 3.440 20 0 FGADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000530248804 503894405 /nfs/dbraw/zinc/89/44/05/503894405.db2.gz PHUXXILXLFXKCP-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336530 503930041 /nfs/dbraw/zinc/93/00/41/503930041.db2.gz CVSFWOKMVFJKPB-WMLDXEAASA-N 1 3 368.905 3.295 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000543946642 503947950 /nfs/dbraw/zinc/94/79/50/503947950.db2.gz NDRRQDXMLIOWGN-IBGZPJMESA-N 1 3 366.594 3.404 20 0 FGADHO Clc1ccc(-c2noc(CCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349055 503958434 /nfs/dbraw/zinc/95/84/34/503958434.db2.gz PAXRYJNWZJEAKQ-RDJZCZTQSA-N 1 3 360.889 3.397 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)Cc1ccccc1 ZINC000533813827 503959436 /nfs/dbraw/zinc/95/94/36/503959436.db2.gz DLPNWZJQJPPMBV-JOCHJYFZSA-N 1 3 374.488 3.150 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976266 503961336 /nfs/dbraw/zinc/96/13/36/503961336.db2.gz HFHBWMCCZUWKJE-CBPXPLCBSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976266 503961345 /nfs/dbraw/zinc/96/13/45/503961345.db2.gz HFHBWMCCZUWKJE-CBPXPLCBSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976266 503961349 /nfs/dbraw/zinc/96/13/49/503961349.db2.gz HFHBWMCCZUWKJE-CBPXPLCBSA-N 1 3 358.526 3.072 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000533913241 503987508 /nfs/dbraw/zinc/98/75/08/503987508.db2.gz OEDDBIOVDNVPBP-VQTJNVASSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002315 504034637 /nfs/dbraw/zinc/03/46/37/504034637.db2.gz IJRPQVWWGGPNMJ-KKSFZXQISA-N 1 3 367.493 3.105 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769845 504082012 /nfs/dbraw/zinc/08/20/12/504082012.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769845 504082016 /nfs/dbraw/zinc/08/20/16/504082016.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528146438 504091124 /nfs/dbraw/zinc/09/11/24/504091124.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528146438 504091126 /nfs/dbraw/zinc/09/11/26/504091126.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 1 3 364.578 3.061 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284342 504146781 /nfs/dbraw/zinc/14/67/81/504146781.db2.gz AYZBRZHMUFSQCV-FQEVSTJZSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178077 504159342 /nfs/dbraw/zinc/15/93/42/504159342.db2.gz ZBJPBWGIZONVOO-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCN1CCCCC1 ZINC000531141980 504204118 /nfs/dbraw/zinc/20/41/18/504204118.db2.gz PHGWPAIDJVLYMY-UHFFFAOYSA-N 1 3 360.454 3.194 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000547754646 504212855 /nfs/dbraw/zinc/21/28/55/504212855.db2.gz PROPJSIJFAVLPB-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396098 504234429 /nfs/dbraw/zinc/23/44/29/504234429.db2.gz QBDFKFHFBXEHDM-MHTWAQMVSA-N 1 3 360.542 3.489 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396098 504234431 /nfs/dbraw/zinc/23/44/31/504234431.db2.gz QBDFKFHFBXEHDM-MHTWAQMVSA-N 1 3 360.542 3.489 20 0 FGADHO c1ccc([C@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2cncnc2)cc1 ZINC000541735015 504237893 /nfs/dbraw/zinc/23/78/93/504237893.db2.gz QVEVFPZZOJXSFP-QFIPXVFZSA-N 1 3 359.477 3.467 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000534798932 504244406 /nfs/dbraw/zinc/24/44/06/504244406.db2.gz XKYIRLZBWDNZIR-HBMCJLEFSA-N 1 3 358.526 3.107 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000531693661 504394351 /nfs/dbraw/zinc/39/43/51/504394351.db2.gz AKQAHMJMLNGMGM-CZUORRHYSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000531693661 504394354 /nfs/dbraw/zinc/39/43/54/504394354.db2.gz AKQAHMJMLNGMGM-CZUORRHYSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204703 504395329 /nfs/dbraw/zinc/39/53/29/504395329.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204703 504395331 /nfs/dbraw/zinc/39/53/31/504395331.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H]1c1ccccc1 ZINC000535469439 504443635 /nfs/dbraw/zinc/44/36/35/504443635.db2.gz ONCBNIXGXAZGDX-YADHBBJMSA-N 1 3 372.472 3.422 20 0 FGADHO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H]1c1ccccc1 ZINC000535469439 504443640 /nfs/dbraw/zinc/44/36/40/504443640.db2.gz ONCBNIXGXAZGDX-YADHBBJMSA-N 1 3 372.472 3.422 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000520301695 504459174 /nfs/dbraw/zinc/45/91/74/504459174.db2.gz QURNICZUOXWTSS-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CC)C1 ZINC000520379710 504484076 /nfs/dbraw/zinc/48/40/76/504484076.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CC)C1 ZINC000520379710 504484078 /nfs/dbraw/zinc/48/40/78/504484078.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000520406024 504491007 /nfs/dbraw/zinc/49/10/07/504491007.db2.gz SJCVEYBEVBLQBC-IBGZPJMESA-N 1 3 366.594 3.404 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000520406024 504491012 /nfs/dbraw/zinc/49/10/12/504491012.db2.gz SJCVEYBEVBLQBC-IBGZPJMESA-N 1 3 366.594 3.404 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(CCSc3ccccc3F)CC2)CC1 ZINC000542591001 504548596 /nfs/dbraw/zinc/54/85/96/504548596.db2.gz DMEWJOMPKBSIOM-UHFFFAOYSA-N 1 3 365.562 3.267 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806502 504550697 /nfs/dbraw/zinc/55/06/97/504550697.db2.gz ZFNVYJWRSMYMHQ-IFMALSPDSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806502 504550701 /nfs/dbraw/zinc/55/07/01/504550701.db2.gz ZFNVYJWRSMYMHQ-IFMALSPDSA-N 1 3 371.569 3.467 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Br)ccc1F ZINC000532195535 504570010 /nfs/dbraw/zinc/57/00/10/504570010.db2.gz RBZQCZJQVKMMIW-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO CN1CC=C(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000539486261 504586388 /nfs/dbraw/zinc/58/63/88/504586388.db2.gz MBCIHAFVHGODHJ-UHFFFAOYSA-N 1 3 370.541 3.124 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758361 504598271 /nfs/dbraw/zinc/59/82/71/504598271.db2.gz ARLUIDINUROGPE-SCTDSRPQSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758361 504598274 /nfs/dbraw/zinc/59/82/74/504598274.db2.gz ARLUIDINUROGPE-SCTDSRPQSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530703 504683942 /nfs/dbraw/zinc/68/39/42/504683942.db2.gz GNEZEUKLMFFHSW-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530703 504683948 /nfs/dbraw/zinc/68/39/48/504683948.db2.gz GNEZEUKLMFFHSW-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000549235179 504733951 /nfs/dbraw/zinc/73/39/51/504733951.db2.gz IFMWJOLBWIYELF-YXYSEUPNSA-N 1 3 364.574 3.187 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000521509654 504750072 /nfs/dbraw/zinc/75/00/72/504750072.db2.gz SFKMXDUCFWCVRC-OAQYLSRUSA-N 1 3 374.573 3.360 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000521509654 504750074 /nfs/dbraw/zinc/75/00/74/504750074.db2.gz SFKMXDUCFWCVRC-OAQYLSRUSA-N 1 3 374.573 3.360 20 0 FGADHO CCc1oc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403721 504811700 /nfs/dbraw/zinc/81/17/00/504811700.db2.gz NLBPNSDHNZKXJR-IYBDPMFKSA-N 1 3 350.503 3.476 20 0 FGADHO CCc1oc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403721 504811704 /nfs/dbraw/zinc/81/17/04/504811704.db2.gz NLBPNSDHNZKXJR-IYBDPMFKSA-N 1 3 350.503 3.476 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cncnc3C)CC2)cc1 ZINC000565218465 504828222 /nfs/dbraw/zinc/82/82/22/504828222.db2.gz QYWMGAIVBCPVAR-MRXNPFEDSA-N 1 3 354.498 3.356 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227212 504830878 /nfs/dbraw/zinc/83/08/78/504830878.db2.gz WIUCXXUPBOKLBI-FUHWJXTLSA-N 1 3 366.347 3.273 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387851 504861520 /nfs/dbraw/zinc/86/15/20/504861520.db2.gz VQGHWWZZWPRIAP-AWEZNQCLSA-N 1 3 358.267 3.113 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000553492678 504931378 /nfs/dbraw/zinc/93/13/78/504931378.db2.gz GXPZZGKDLYSTGU-GCJKJVERSA-N 1 3 369.553 3.402 20 0 FGADHO Cc1ccc(NC(=O)CCNCc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000559964461 504959739 /nfs/dbraw/zinc/95/97/39/504959739.db2.gz AWWXCGXAJHHJSK-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO C[C@@H](NCCC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000562997169 505013992 /nfs/dbraw/zinc/01/39/92/505013992.db2.gz WBVOZUCFRFHJTQ-CYBMUJFWSA-N 1 3 370.335 3.344 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565899731 505021302 /nfs/dbraw/zinc/02/13/02/505021302.db2.gz BBYDIBWDTQAHIU-DLBZAZTESA-N 1 3 373.859 3.067 20 0 FGADHO C[C@@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046634 505032554 /nfs/dbraw/zinc/03/25/54/505032554.db2.gz CDBJQLSIYQJFCF-RBBKRZOGSA-N 1 3 371.569 3.179 20 0 FGADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1F ZINC000566106726 505083460 /nfs/dbraw/zinc/08/34/60/505083460.db2.gz XYCASOYYXPYJIR-OAQYLSRUSA-N 1 3 372.484 3.089 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000554218417 505118840 /nfs/dbraw/zinc/11/88/40/505118840.db2.gz OJRKPQPLLPRBJW-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(Br)c(Br)c1 ZINC000566230188 505119331 /nfs/dbraw/zinc/11/93/31/505119331.db2.gz PSETYADXVLSGDC-BDAKNGLRSA-N 1 3 350.098 3.427 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245356 505122765 /nfs/dbraw/zinc/12/27/65/505122765.db2.gz OEWBROHIMHHFCK-NJAFHUGGSA-N 1 3 363.933 3.181 20 0 FGADHO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000560549826 505122724 /nfs/dbraw/zinc/12/27/24/505122724.db2.gz ZIGDSWIECDCELN-BAGYTPMASA-N 1 3 352.526 3.243 20 0 FGADHO CCCC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000557522180 505156032 /nfs/dbraw/zinc/15/60/32/505156032.db2.gz OOGBJHDDUKXJKG-OAQYLSRUSA-N 1 3 373.541 3.259 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592512 505263136 /nfs/dbraw/zinc/26/31/36/505263136.db2.gz QMUYLZOMIHVISV-HUUCEWRRSA-N 1 3 358.267 3.254 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012326 505285575 /nfs/dbraw/zinc/28/55/75/505285575.db2.gz POFWCCPBWPXZQZ-NNMXDRDESA-N 1 3 369.553 3.475 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)[C@@H]1c1cccs1 ZINC000563955556 505288103 /nfs/dbraw/zinc/28/81/03/505288103.db2.gz KURLHIJFSBSCJB-YVWKXTFCSA-N 1 3 369.534 3.134 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)[C@@H]1c1cccs1 ZINC000563955556 505288107 /nfs/dbraw/zinc/28/81/07/505288107.db2.gz KURLHIJFSBSCJB-YVWKXTFCSA-N 1 3 369.534 3.134 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000561449843 505349562 /nfs/dbraw/zinc/34/95/62/505349562.db2.gz LDYHRHKLYWFYRR-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000558403972 505378454 /nfs/dbraw/zinc/37/84/54/505378454.db2.gz UNUWUNFTHDOATE-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1Cc1ccccc1 ZINC000561591151 505385471 /nfs/dbraw/zinc/38/54/71/505385471.db2.gz PWFDUTMMUKRAFM-NQIIRXRSSA-N 1 3 372.557 3.261 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637478 505396835 /nfs/dbraw/zinc/39/68/35/505396835.db2.gz FBYRPQQVOUZTOM-QAPCUYQASA-N 1 3 368.953 3.362 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760216 505428679 /nfs/dbraw/zinc/42/86/79/505428679.db2.gz APUODCFWEVSKLP-FCEWJHQRSA-N 1 3 369.509 3.297 20 0 FGADHO Cc1ccc(C[C@H]([NH2+]Cc2ccncc2OCCN(C)C)C2CC2)cc1 ZINC000561781828 505436141 /nfs/dbraw/zinc/43/61/41/505436141.db2.gz IABKKKGSGOUFAY-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)Cc3ccccc3)C2)s1 ZINC000567475674 505475446 /nfs/dbraw/zinc/47/54/46/505475446.db2.gz SUSSAJNYMPTVCQ-VQTJNVASSA-N 1 3 358.551 3.414 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)Cc3ccccc3)C2)s1 ZINC000567475674 505475450 /nfs/dbraw/zinc/47/54/50/505475450.db2.gz SUSSAJNYMPTVCQ-VQTJNVASSA-N 1 3 358.551 3.414 20 0 FGADHO CN1CCN(CC2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976439 505483413 /nfs/dbraw/zinc/48/34/13/505483413.db2.gz FKAXGDNHVGNWPL-XZOQPEGZSA-N 1 3 355.570 3.456 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)CC1 ZINC000567517348 505486532 /nfs/dbraw/zinc/48/65/32/505486532.db2.gz ZLTNPBSLNVLZRS-SFHVURJKSA-N 1 3 357.542 3.103 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000567532281 505490863 /nfs/dbraw/zinc/49/08/63/505490863.db2.gz RQSDHJFKDXVQJS-SVFBPWRDSA-N 1 3 364.493 3.296 20 0 FGADHO c1cn(Cc2ccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642316 505522388 /nfs/dbraw/zinc/52/23/88/505522388.db2.gz GUTAMADXAYRNND-GGAORHGYSA-N 1 3 374.488 3.277 20 0 FGADHO COc1cncc(/C=C\CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901058 505553981 /nfs/dbraw/zinc/55/39/81/505553981.db2.gz ZBZZHSVQBFCXFO-WDSNSIQLSA-N 1 3 373.541 3.315 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000612338807 506534151 /nfs/dbraw/zinc/53/41/51/506534151.db2.gz NLPURXURKUSYFO-PKOBYXMFSA-N 1 3 352.567 3.061 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000612338801 506534737 /nfs/dbraw/zinc/53/47/37/506534737.db2.gz NLPURXURKUSYFO-HKUYNNGSSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583028651 506548476 /nfs/dbraw/zinc/54/84/76/506548476.db2.gz RJYPAACCUJLAOM-NLWGTHIKSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583028651 506548480 /nfs/dbraw/zinc/54/84/80/506548480.db2.gz RJYPAACCUJLAOM-NLWGTHIKSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583028652 506548618 /nfs/dbraw/zinc/54/86/18/506548618.db2.gz RJYPAACCUJLAOM-NSHGMRRFSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583028652 506548622 /nfs/dbraw/zinc/54/86/22/506548622.db2.gz RJYPAACCUJLAOM-NSHGMRRFSA-N 1 3 360.546 3.067 20 0 FGADHO c1nc2cc(C[NH2+]CCCCN3CCN(c4ccccc4)CC3)ccc2[nH]1 ZINC000589645073 506619915 /nfs/dbraw/zinc/61/99/15/506619915.db2.gz UFLNQRDAHWDZAD-UHFFFAOYSA-N 1 3 363.509 3.255 20 0 FGADHO c1nc2ccc(C[NH2+]CCCCN3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000589645073 506619920 /nfs/dbraw/zinc/61/99/20/506619920.db2.gz UFLNQRDAHWDZAD-UHFFFAOYSA-N 1 3 363.509 3.255 20 0 FGADHO CCCc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000589650684 506621266 /nfs/dbraw/zinc/62/12/66/506621266.db2.gz UFQWZTWDQQDMKZ-UHFFFAOYSA-N 1 3 353.510 3.220 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635035 506641990 /nfs/dbraw/zinc/64/19/90/506641990.db2.gz ZZYCTQXTQLFNIV-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635035 506641998 /nfs/dbraw/zinc/64/19/98/506641998.db2.gz ZZYCTQXTQLFNIV-SBHAEUEKSA-N 1 3 372.557 3.165 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1C ZINC000583230571 506662111 /nfs/dbraw/zinc/66/21/11/506662111.db2.gz AKVZESJCDJBAIC-HXUWFJFHSA-N 1 3 374.525 3.019 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1C ZINC000583230571 506662119 /nfs/dbraw/zinc/66/21/19/506662119.db2.gz AKVZESJCDJBAIC-HXUWFJFHSA-N 1 3 374.525 3.019 20 0 FGADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1Cl ZINC000583258893 506681086 /nfs/dbraw/zinc/68/10/86/506681086.db2.gz VJBSOYYLTWUJED-IBGZPJMESA-N 1 3 374.912 3.465 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688612 506918348 /nfs/dbraw/zinc/91/83/48/506918348.db2.gz RSMZZQOQRDJDNB-MJBXVCDLSA-N 1 3 361.313 3.196 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782091 506941663 /nfs/dbraw/zinc/94/16/63/506941663.db2.gz FPXVZMWLHQCZNY-YZGWKJHDSA-N 1 3 374.573 3.488 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000600449149 506958813 /nfs/dbraw/zinc/95/88/13/506958813.db2.gz MLJJVXSCYWZUEV-IBGZPJMESA-N 1 3 361.530 3.011 20 0 FGADHO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000600738955 507091948 /nfs/dbraw/zinc/09/19/48/507091948.db2.gz KWRYZHHHFXHYEP-UHFFFAOYSA-N 1 3 368.562 3.148 20 0 FGADHO CC(C)(C)OC(=O)C1CCC(O)(CNC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000600738955 507091953 /nfs/dbraw/zinc/09/19/53/507091953.db2.gz KWRYZHHHFXHYEP-UHFFFAOYSA-N 1 3 368.562 3.148 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Br)cs1 ZINC000584089476 507146222 /nfs/dbraw/zinc/14/62/22/507146222.db2.gz PUHDTEVGBJMLAA-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000600887426 507162543 /nfs/dbraw/zinc/16/25/43/507162543.db2.gz KIOWWDJOXJGVEP-AZUAARDMSA-N 1 3 374.573 3.489 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000600887426 507162549 /nfs/dbraw/zinc/16/25/49/507162549.db2.gz KIOWWDJOXJGVEP-AZUAARDMSA-N 1 3 374.573 3.489 20 0 FGADHO Cc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc(C)c1OC(F)F ZINC000584199338 507207341 /nfs/dbraw/zinc/20/73/41/507207341.db2.gz BWQPKPAGXGJUCM-UHFFFAOYSA-N 1 3 369.500 3.363 20 0 FGADHO Cc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc(C)c1OC(F)F ZINC000584199338 507207349 /nfs/dbraw/zinc/20/73/49/507207349.db2.gz BWQPKPAGXGJUCM-UHFFFAOYSA-N 1 3 369.500 3.363 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N1CCCC1 ZINC000591430854 507247899 /nfs/dbraw/zinc/24/78/99/507247899.db2.gz VRZGAMGCFWQSFV-RBUKOAKNSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N1CCCC1 ZINC000591430854 507247900 /nfs/dbraw/zinc/24/79/00/507247900.db2.gz VRZGAMGCFWQSFV-RBUKOAKNSA-N 1 3 373.541 3.154 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734549 507260163 /nfs/dbraw/zinc/26/01/63/507260163.db2.gz AYCVBVNWGGDZBU-INIZCTEOSA-N 1 3 350.890 3.338 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CSCCF)cc2)CC1 ZINC000595012538 507354232 /nfs/dbraw/zinc/35/42/32/507354232.db2.gz PPCOLXAPFNSWEN-KRWDZBQOSA-N 1 3 353.551 3.005 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000584460959 507357863 /nfs/dbraw/zinc/35/78/63/507357863.db2.gz YWTSJORMYJPRQB-SFTDATJTSA-N 1 3 372.557 3.122 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1F ZINC000584540418 507401090 /nfs/dbraw/zinc/40/10/90/507401090.db2.gz YMBIXUPGRGZOMY-UHFFFAOYSA-N 1 3 373.472 3.123 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606677206 507478083 /nfs/dbraw/zinc/47/80/83/507478083.db2.gz MWVWBJOKZYCYCT-HXUWFJFHSA-N 1 3 366.594 3.260 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000606677206 507478090 /nfs/dbraw/zinc/47/80/90/507478090.db2.gz MWVWBJOKZYCYCT-HXUWFJFHSA-N 1 3 366.594 3.260 20 0 FGADHO CC1CCC(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000584827495 507527843 /nfs/dbraw/zinc/52/78/43/507527843.db2.gz ZCGBROASBZIKPL-UHFFFAOYSA-N 1 3 356.514 3.061 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000595657234 507618135 /nfs/dbraw/zinc/61/81/35/507618135.db2.gz CLCQGEJWLSXOQD-PMACEKPBSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000595657234 507618137 /nfs/dbraw/zinc/61/81/37/507618137.db2.gz CLCQGEJWLSXOQD-PMACEKPBSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280660 507677089 /nfs/dbraw/zinc/67/70/89/507677089.db2.gz HNSPSHNYQXWURM-OALUTQOASA-N 1 3 357.542 3.408 20 0 FGADHO COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000595893460 507730647 /nfs/dbraw/zinc/73/06/47/507730647.db2.gz RJBHYDBPFFBLJW-KRWDZBQOSA-N 1 3 352.478 3.144 20 0 FGADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc2o1 ZINC000595900155 507733591 /nfs/dbraw/zinc/73/35/91/507733591.db2.gz AAEKPQSRNVMBMU-QGZVFWFLSA-N 1 3 356.466 3.431 20 0 FGADHO Cc1cc(NC(=O)CCNCc2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000515415472 517344302 /nfs/dbraw/zinc/34/43/02/517344302.db2.gz RRFFKJATPWSXOT-UHFFFAOYSA-N 1 3 370.497 3.477 20 0 FGADHO CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736453900 599319412 /nfs/dbraw/zinc/31/94/12/599319412.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736453900 599319414 /nfs/dbraw/zinc/31/94/14/599319414.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736453900 599319417 /nfs/dbraw/zinc/31/94/17/599319417.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736453900 599319420 /nfs/dbraw/zinc/31/94/20/599319420.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 1 3 356.518 3.372 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003267 700221482 /nfs/dbraw/zinc/22/14/82/700221482.db2.gz WYWCTIUUEKDEIK-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003267 700221487 /nfs/dbraw/zinc/22/14/87/700221487.db2.gz WYWCTIUUEKDEIK-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003267 700221491 /nfs/dbraw/zinc/22/14/91/700221491.db2.gz WYWCTIUUEKDEIK-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO FC(F)(F)c1ccc(CN2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000089884419 700397281 /nfs/dbraw/zinc/39/72/81/700397281.db2.gz IOLBKCMHKSNEHL-UHFFFAOYSA-N 1 3 355.448 3.309 20 0 FGADHO CN(CC1CC[NH+](C)CC1)Cn1ncc2c1cccc2Br ZINC000117863740 700606215 /nfs/dbraw/zinc/60/62/15/700606215.db2.gz CHLKQRSUYRVCIR-UHFFFAOYSA-N 1 3 351.292 3.030 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271556264 713753235 /nfs/dbraw/zinc/75/32/35/713753235.db2.gz VVVSKRXCSVMADV-KZNAEPCWSA-N 1 3 350.503 3.330 20 0 FGADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000641805852 717931108 /nfs/dbraw/zinc/93/11/08/717931108.db2.gz OWSZCINGWVJHGX-ZHALLVOQSA-N 1 3 357.523 3.059 20 0 FGADHO Cc1nc([C@H](C)[NH2+]CCN2CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000390694435 713988916 /nfs/dbraw/zinc/98/89/16/713988916.db2.gz QZLHDZOAXQIWJI-INIZCTEOSA-N 1 3 358.555 3.228 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1(C)C ZINC000623405554 715329119 /nfs/dbraw/zinc/32/91/19/715329119.db2.gz NLNUTTUZOKUQRP-RTBURBONSA-N 1 3 365.949 3.176 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414995 715331153 /nfs/dbraw/zinc/33/11/53/715331153.db2.gz WVPZCSFFYPKYOB-CABCVRRESA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414995 715331158 /nfs/dbraw/zinc/33/11/58/715331158.db2.gz WVPZCSFFYPKYOB-CABCVRRESA-N 1 3 366.347 3.490 20 0 FGADHO C[NH+]1CCC2(CCN(Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000639757483 717599017 /nfs/dbraw/zinc/59/90/17/717599017.db2.gz MUTVKWJRWRDMAX-UHFFFAOYSA-N 1 3 363.303 3.243 20 0 FGADHO Clc1ccccc1Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000647542209 718366436 /nfs/dbraw/zinc/36/64/36/718366436.db2.gz YQWLGAYBEVJASO-GOSISDBHSA-N 1 3 358.917 3.406 20 0 FGADHO Clc1ccccc1Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000647542210 718366443 /nfs/dbraw/zinc/36/64/43/718366443.db2.gz YQWLGAYBEVJASO-SFHVURJKSA-N 1 3 358.917 3.406 20 0 FGADHO Cc1nn2c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544027 718366956 /nfs/dbraw/zinc/36/69/56/718366956.db2.gz VPGSLNZGUCOHGR-HZPDHXFCSA-N 1 3 361.559 3.434 20 0 FGADHO O=C(c1cccc(Cl)c1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647881631 718383008 /nfs/dbraw/zinc/38/30/08/718383008.db2.gz VZDGOBLEPKNPBS-UHFFFAOYSA-N 1 3 363.933 3.268 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976245 718391171 /nfs/dbraw/zinc/39/11/71/718391171.db2.gz MBKBMYPIQZJHOE-JFIYKMOQSA-N 1 3 363.933 3.056 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655805334 719342075 /nfs/dbraw/zinc/34/20/75/719342075.db2.gz LWISIRQJMAYUHA-KVPLUYHFSA-N 1 3 364.555 3.010 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090332 /nfs/dbraw/zinc/09/03/32/720090332.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090337 /nfs/dbraw/zinc/09/03/37/720090337.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092451 /nfs/dbraw/zinc/09/24/51/720092451.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 1 3 353.304 3.246 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092456 /nfs/dbraw/zinc/09/24/56/720092456.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 1 3 353.304 3.246 20 0 FGADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662425939 720427114 /nfs/dbraw/zinc/42/71/14/720427114.db2.gz PAHWJEGFYDYCFV-SFHVURJKSA-N 1 3 363.571 3.228 20 0 FGADHO Cc1ccc(C[NH+]2CCC3(CCN(c4cc(CN)ncn4)CC3)CC2)cc1 ZINC001164759460 721043230 /nfs/dbraw/zinc/04/32/30/721043230.db2.gz MQGGOJWOARTUCW-UHFFFAOYSA-N 1 3 365.525 3.126 20 0 FGADHO C[C@@](O)(CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115763 722420801 /nfs/dbraw/zinc/42/08/01/722420801.db2.gz NJDRXQRYJWWFDT-HUUCEWRRSA-N 1 3 366.374 3.047 20 0 FGADHO C[C@@](O)(CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115763 722420802 /nfs/dbraw/zinc/42/08/02/722420802.db2.gz NJDRXQRYJWWFDT-HUUCEWRRSA-N 1 3 366.374 3.047 20 0 FGADHO CN1CCC[C@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210634 722529197 /nfs/dbraw/zinc/52/91/97/722529197.db2.gz CZBRMGNGWXGILK-KRWDZBQOSA-N 1 3 356.539 3.040 20 0 FGADHO CC[NH+](CC)Cc1cc([C@H](C)NC2COC(C)(C)OC2)ccc1OC ZINC000757706717 722978721 /nfs/dbraw/zinc/97/87/21/722978721.db2.gz YMOFTAMBXUVLRU-HNNXBMFYSA-N 1 3 350.503 3.339 20 0 FGADHO C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000798187887 723911921 /nfs/dbraw/zinc/91/19/21/723911921.db2.gz VFDJZKMTQRRMMW-NUWOQIAWSA-N 1 3 351.535 3.285 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000775031813 723954108 /nfs/dbraw/zinc/95/41/08/723954108.db2.gz TZBSPJQPFIRBIU-ROUUACIJSA-N 1 3 367.331 3.225 20 0 FGADHO CC(C)[NH+](CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000788613440 725076080 /nfs/dbraw/zinc/07/60/80/725076080.db2.gz RAEZGTHTRGTGMH-UHFFFAOYSA-N 1 3 353.551 3.484 20 0 FGADHO CCCCN1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819044013 727341418 /nfs/dbraw/zinc/34/14/18/727341418.db2.gz XOJJIZXJFGPRCA-QGZVFWFLSA-N 1 3 355.320 3.337 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1cccc(Br)c1 ZINC000819278024 727363909 /nfs/dbraw/zinc/36/39/09/727363909.db2.gz KETSLSPGUAAXAV-JCYILVPMSA-N 1 3 353.304 3.089 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384193 729334887 /nfs/dbraw/zinc/33/48/87/729334887.db2.gz ZGKSZFDHZOXSDX-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574111 729431949 /nfs/dbraw/zinc/43/19/49/729431949.db2.gz YAZLRDCONWFZEG-BBRMVZONSA-N 1 3 366.937 3.060 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574111 729431950 /nfs/dbraw/zinc/43/19/50/729431950.db2.gz YAZLRDCONWFZEG-BBRMVZONSA-N 1 3 366.937 3.060 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856002 730281399 /nfs/dbraw/zinc/28/13/99/730281399.db2.gz KUXQSXJAQHMCFJ-IRXDYDNUSA-N 1 3 360.889 3.030 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016502 731007267 /nfs/dbraw/zinc/00/72/67/731007267.db2.gz ZBCTWMLCJONFSM-KRWDZBQOSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016502 731007270 /nfs/dbraw/zinc/00/72/70/731007270.db2.gz ZBCTWMLCJONFSM-KRWDZBQOSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084553 731662196 /nfs/dbraw/zinc/66/21/96/731662196.db2.gz QWXWFSAGZUIWDP-QZTJIDSGSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084553 731662198 /nfs/dbraw/zinc/66/21/98/731662198.db2.gz QWXWFSAGZUIWDP-QZTJIDSGSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853084553 731662202 /nfs/dbraw/zinc/66/22/02/731662202.db2.gz QWXWFSAGZUIWDP-QZTJIDSGSA-N 1 3 351.535 3.098 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491478 732220226 /nfs/dbraw/zinc/22/02/26/732220226.db2.gz IRQHZLOKVRSARK-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200914 735736877 /nfs/dbraw/zinc/73/68/77/735736877.db2.gz NOKDAWBFHWWZKY-CQSZACIVSA-N 1 3 353.495 3.168 20 0 FGADHO O=C(CC1CCCC1)NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208353 735738065 /nfs/dbraw/zinc/73/80/65/735738065.db2.gz MPDISKPDYWQRGE-UHFFFAOYSA-N 1 3 361.555 3.055 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289923 735746705 /nfs/dbraw/zinc/74/67/05/735746705.db2.gz MIJXJJQXOYUIOZ-NEPJUHHUSA-N 1 3 359.333 3.320 20 0 FGADHO COCCN(Cc1c(C)nn(C(C)(C)C)c1C)CC1CC[NH+](C)CC1 ZINC000877664070 736701429 /nfs/dbraw/zinc/70/14/29/736701429.db2.gz GKORPLRPBJBOFX-UHFFFAOYSA-N 1 3 350.551 3.045 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892460294 740003116 /nfs/dbraw/zinc/00/31/16/740003116.db2.gz MPOGLIITEGADSG-RBUKOAKNSA-N 1 3 350.478 3.252 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000892763839 740041312 /nfs/dbraw/zinc/04/13/12/740041312.db2.gz XBDAKTGWTSTMOE-UHFFFAOYSA-N 1 3 355.448 3.412 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253692 743830855 /nfs/dbraw/zinc/83/08/55/743830855.db2.gz OHDIAPRYSGQVDI-PGYGNJIDSA-N 1 3 364.555 3.236 20 0 FGADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956954 743905200 /nfs/dbraw/zinc/90/52/00/743905200.db2.gz NYFAJTNCAADUCO-ZYHUDNBSSA-N 1 3 365.237 3.354 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+]C[C@@H](N)CCC(C)(C)C)CC2)oc1C ZINC000904360202 743949017 /nfs/dbraw/zinc/94/90/17/743949017.db2.gz JLPRXIHFVUJYMF-SFHVURJKSA-N 1 3 350.551 3.247 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127113 743994251 /nfs/dbraw/zinc/99/42/51/743994251.db2.gz IZGCXQMVQLFMMN-ACJLOTCBSA-N 1 3 373.324 3.117 20 0 FGADHO C[C@H](c1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449341 759120576 /nfs/dbraw/zinc/12/05/76/759120576.db2.gz MKZRGLOWMAXPAX-ZIAGYGMSSA-N 1 3 353.304 3.340 20 0 FGADHO CCOC(=O)C1(C(F)(F)F)CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923527296 759141015 /nfs/dbraw/zinc/14/10/15/759141015.db2.gz MEGJQGFJPDMSMP-GOOCMWNKSA-N 1 3 362.436 3.115 20 0 FGADHO C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000925216357 759462531 /nfs/dbraw/zinc/46/25/31/759462531.db2.gz JTQOMEBIJSXCRK-INIZCTEOSA-N 1 3 360.523 3.144 20 0 FGADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925778925 759536454 /nfs/dbraw/zinc/53/64/54/759536454.db2.gz VHYYTBJARRNBGQ-ZYHUDNBSSA-N 1 3 365.237 3.354 20 0 FGADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OC(F)F ZINC000925779408 759536529 /nfs/dbraw/zinc/53/65/29/759536529.db2.gz NBAOESPELREVAR-PWSUYJOCSA-N 1 3 350.356 3.192 20 0 FGADHO CC(C)[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853157 759559376 /nfs/dbraw/zinc/55/93/76/759559376.db2.gz FIFGDSXROZRTDB-WMLDXEAASA-N 1 3 350.890 3.312 20 0 FGADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855493 759560709 /nfs/dbraw/zinc/56/07/09/759560709.db2.gz OGMRBZCKNPZCBT-WCQYABFASA-N 1 3 357.281 3.329 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855483 759560844 /nfs/dbraw/zinc/56/08/44/759560844.db2.gz OGMRBZCKNPZCBT-AAEUAGOBSA-N 1 3 357.281 3.329 20 0 FGADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785265 759821620 /nfs/dbraw/zinc/82/16/20/759821620.db2.gz ATXUCPYWNMUXPN-POGJWJPPSA-N 1 3 356.432 3.473 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000997094145 765045349 /nfs/dbraw/zinc/04/53/49/765045349.db2.gz SPILSVIHQOWQJN-AYOQOUSVSA-N 1 3 363.571 3.195 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000997094145 765045354 /nfs/dbraw/zinc/04/53/54/765045354.db2.gz SPILSVIHQOWQJN-AYOQOUSVSA-N 1 3 363.571 3.195 20 0 FGADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000328636690 223123159 /nfs/dbraw/zinc/12/31/59/223123159.db2.gz OFGYAZABRUXVSK-LAUBAEHRSA-N 1 3 360.546 3.367 20 0 FGADHO CCn1nccc1[C@@H]1OCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000328636690 223123161 /nfs/dbraw/zinc/12/31/61/223123161.db2.gz OFGYAZABRUXVSK-LAUBAEHRSA-N 1 3 360.546 3.367 20 0 FGADHO CCN1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745036 257344136 /nfs/dbraw/zinc/34/41/36/257344136.db2.gz SAGNUMNEQUCOPT-GOSISDBHSA-N 1 3 361.493 3.366 20 0 FGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842164 495047348 /nfs/dbraw/zinc/04/73/48/495047348.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842164 495047352 /nfs/dbraw/zinc/04/73/52/495047352.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@@H]4C)CC3)[C@H]2C1 ZINC000573599770 505575819 /nfs/dbraw/zinc/57/58/19/505575819.db2.gz JIIGZWFRFDPUSV-XXBFSGCESA-N 1 3 361.574 3.266 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000567940454 505580073 /nfs/dbraw/zinc/58/00/73/505580073.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000567940454 505580078 /nfs/dbraw/zinc/58/00/78/505580078.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO CCc1cnccc1[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000573624330 505581446 /nfs/dbraw/zinc/58/14/46/505581446.db2.gz PUNXWPLSTJVDIV-KRWDZBQOSA-N 1 3 372.557 3.018 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000576789079 505594195 /nfs/dbraw/zinc/59/41/95/505594195.db2.gz AFXZZTGMOJKRQA-QFIPXVFZSA-N 1 3 359.558 3.346 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000576789079 505594200 /nfs/dbraw/zinc/59/42/00/505594200.db2.gz AFXZZTGMOJKRQA-QFIPXVFZSA-N 1 3 359.558 3.346 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000573676986 505594929 /nfs/dbraw/zinc/59/49/29/505594929.db2.gz XIMOWUSVIJNPJR-KRWDZBQOSA-N 1 3 358.448 3.461 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570938768 505616506 /nfs/dbraw/zinc/61/65/06/505616506.db2.gz CHBQKGQVRMVJPC-FQEVSTJZSA-N 1 3 372.557 3.149 20 0 FGADHO c1cnn(Cc2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934918 505628533 /nfs/dbraw/zinc/62/85/33/505628533.db2.gz QLBIJSKNVIINOO-FYYLOGMGSA-N 1 3 374.488 3.277 20 0 FGADHO COc1ccccc1-n1nccc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000571126624 505658500 /nfs/dbraw/zinc/65/85/00/505658500.db2.gz KGHOTEIBPNIWAV-GOSISDBHSA-N 1 3 354.498 3.045 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccccc1F)C(C)C ZINC000057508307 493769801 /nfs/dbraw/zinc/76/98/01/493769801.db2.gz JADRPIOYUYXHHM-UHFFFAOYSA-N 1 3 366.525 3.018 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000048078013 493781576 /nfs/dbraw/zinc/78/15/76/493781576.db2.gz ARFZXFLRAIQYJZ-JOCHJYFZSA-N 1 3 367.537 3.431 20 0 FGADHO CCN1CCC(N(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2CC2)CC1 ZINC000058260834 493839014 /nfs/dbraw/zinc/83/90/14/493839014.db2.gz SIBBNWIWELXMJD-UHFFFAOYSA-N 1 3 369.553 3.374 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988709 493940058 /nfs/dbraw/zinc/94/00/58/493940058.db2.gz IVEQXCQZGBALSO-UHFFFAOYSA-N 1 3 369.553 3.196 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988709 493940060 /nfs/dbraw/zinc/94/00/60/493940060.db2.gz IVEQXCQZGBALSO-UHFFFAOYSA-N 1 3 369.553 3.196 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000050988707 493940515 /nfs/dbraw/zinc/94/05/15/493940515.db2.gz RZXFOOODAAOQMD-UHFFFAOYSA-N 1 3 355.526 3.019 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000051158534 493952244 /nfs/dbraw/zinc/95/22/44/493952244.db2.gz HDSVXERECRISFH-QZTJIDSGSA-N 1 3 357.542 3.054 20 0 FGADHO CC[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759426 493985163 /nfs/dbraw/zinc/98/51/63/493985163.db2.gz WWPRRDLOZCJQLI-GOSISDBHSA-N 1 3 372.557 3.038 20 0 FGADHO CCCC[N@H+](C)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209427 494012180 /nfs/dbraw/zinc/01/21/80/494012180.db2.gz AXIPOSGBWHOLNR-UHFFFAOYSA-N 1 3 371.525 3.117 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209427 494012183 /nfs/dbraw/zinc/01/21/83/494012183.db2.gz AXIPOSGBWHOLNR-UHFFFAOYSA-N 1 3 371.525 3.117 20 0 FGADHO COc1c(Br)cc(Br)cc1CNCCCC[NH3+] ZINC000037715407 494107993 /nfs/dbraw/zinc/10/79/93/494107993.db2.gz JSGXEABULRYBNC-UHFFFAOYSA-N 1 3 366.097 3.049 20 0 FGADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388410 494119528 /nfs/dbraw/zinc/11/95/28/494119528.db2.gz AASLIKBWPPXGOQ-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000568495064 505708847 /nfs/dbraw/zinc/70/88/47/505708847.db2.gz RHDKHRUXHQWCRA-WAOWUJCRSA-N 1 3 357.542 3.331 20 0 FGADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000072884106 494275592 /nfs/dbraw/zinc/27/55/92/494275592.db2.gz IHQKVNWBQJCYHM-QFIPXVFZSA-N 1 3 371.569 3.306 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000073041489 494310911 /nfs/dbraw/zinc/31/09/11/494310911.db2.gz UFQDDRIIPYAAJG-NRFANRHFSA-N 1 3 351.494 3.315 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000574175540 505712663 /nfs/dbraw/zinc/71/26/63/505712663.db2.gz DFGWHONSTFDFFI-TZIWHRDSSA-N 1 3 354.498 3.103 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000073493927 494378097 /nfs/dbraw/zinc/37/80/97/494378097.db2.gz ZWLOFVONINXNPH-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000073588407 494395401 /nfs/dbraw/zinc/39/54/01/494395401.db2.gz JORCWCWGDZRBOD-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000073664055 494408517 /nfs/dbraw/zinc/40/85/17/494408517.db2.gz YCSUBCOVKUMQED-UHFFFAOYSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079293227 494431468 /nfs/dbraw/zinc/43/14/68/494431468.db2.gz MFVOEGUBKSCIOE-LJQANCHMSA-N 1 3 364.578 3.158 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000045788962 494462390 /nfs/dbraw/zinc/46/23/90/494462390.db2.gz VOIKTJPITVKAFS-UHFFFAOYSA-N 1 3 362.562 3.256 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000045788962 494462393 /nfs/dbraw/zinc/46/23/93/494462393.db2.gz VOIKTJPITVKAFS-UHFFFAOYSA-N 1 3 362.562 3.256 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000045794360 494462756 /nfs/dbraw/zinc/46/27/56/494462756.db2.gz WLTXAHUSZWSHCJ-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090526646 494478153 /nfs/dbraw/zinc/47/81/53/494478153.db2.gz FNMUMJZCLYIMFE-NXHRZFHOSA-N 1 3 363.571 3.440 20 0 FGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000090936994 494504459 /nfs/dbraw/zinc/50/44/59/494504459.db2.gz VIUSFKQZHHDAAZ-SJORKVTESA-N 1 3 357.498 3.312 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000067411628 494534725 /nfs/dbraw/zinc/53/47/25/494534725.db2.gz CRNRJODNXSDSTQ-LJQANCHMSA-N 1 3 374.573 3.400 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792427 494602856 /nfs/dbraw/zinc/60/28/56/494602856.db2.gz KALUKRVAKBFSIE-IHWFROFDSA-N 1 3 364.578 3.155 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792427 494602865 /nfs/dbraw/zinc/60/28/65/494602865.db2.gz KALUKRVAKBFSIE-IHWFROFDSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107834878 494608202 /nfs/dbraw/zinc/60/82/02/494608202.db2.gz DEEHVTOWZQGIGA-KDURUIRLSA-N 1 3 366.594 3.308 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107834878 494608208 /nfs/dbraw/zinc/60/82/08/494608208.db2.gz DEEHVTOWZQGIGA-KDURUIRLSA-N 1 3 366.594 3.308 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796595 494626349 /nfs/dbraw/zinc/62/63/49/494626349.db2.gz VYNCROKJFJGMBH-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796595 494626356 /nfs/dbraw/zinc/62/63/56/494626356.db2.gz VYNCROKJFJGMBH-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587168 494677481 /nfs/dbraw/zinc/67/74/81/494677481.db2.gz UGDQFDSZNIQBOI-IYBDPMFKSA-N 1 3 374.554 3.459 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587168 494677491 /nfs/dbraw/zinc/67/74/91/494677491.db2.gz UGDQFDSZNIQBOI-IYBDPMFKSA-N 1 3 374.554 3.459 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608522 505735858 /nfs/dbraw/zinc/73/58/58/505735858.db2.gz DLYUKVOIVNGIPG-DOTOQJQBSA-N 1 3 364.559 3.092 20 0 FGADHO CC[C@@H](C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)N(C)C ZINC000126366566 494727209 /nfs/dbraw/zinc/72/72/09/494727209.db2.gz QRKDFUCAPHKBHP-NRFANRHFSA-N 1 3 353.510 3.372 20 0 FGADHO CC(C)CCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821140 494763125 /nfs/dbraw/zinc/76/31/25/494763125.db2.gz BZEQSYIMWIBIPT-GOSISDBHSA-N 1 3 360.546 3.171 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435097 494786986 /nfs/dbraw/zinc/78/69/86/494786986.db2.gz AHSQFHHVUJLJDO-RXVVDRJESA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529774 494808841 /nfs/dbraw/zinc/80/88/41/494808841.db2.gz UZAOJUMYKSARKB-MOPGFXCFSA-N 1 3 372.557 3.386 20 0 FGADHO CCO[C@@H]1C[C@@H](O)C12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613967 494905437 /nfs/dbraw/zinc/90/54/37/494905437.db2.gz PLUMCOVXMLDYQU-NHCUHLMSSA-N 1 3 374.569 3.397 20 0 FGADHO CCO[C@@H]1C[C@@H](O)C12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613967 494905440 /nfs/dbraw/zinc/90/54/40/494905440.db2.gz PLUMCOVXMLDYQU-NHCUHLMSSA-N 1 3 374.569 3.397 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000132716432 494913698 /nfs/dbraw/zinc/91/36/98/494913698.db2.gz ZZOADVNPPYUSQN-JOCHJYFZSA-N 1 3 353.510 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000093742179 494916469 /nfs/dbraw/zinc/91/64/69/494916469.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 1 3 372.601 3.382 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000093742179 494916473 /nfs/dbraw/zinc/91/64/73/494916473.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 1 3 372.601 3.382 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000122188094 494937325 /nfs/dbraw/zinc/93/73/25/494937325.db2.gz XIPRYWUJAQICHB-UHFFFAOYSA-N 1 3 362.514 3.028 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000122188094 494937330 /nfs/dbraw/zinc/93/73/30/494937330.db2.gz XIPRYWUJAQICHB-UHFFFAOYSA-N 1 3 362.514 3.028 20 0 FGADHO C[C@H](CNCc1ccccc1N(C)C1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000133120695 494973048 /nfs/dbraw/zinc/97/30/48/494973048.db2.gz JAUBFDLUDRPABA-HXUWFJFHSA-N 1 3 372.601 3.429 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409167 505753335 /nfs/dbraw/zinc/75/33/35/505753335.db2.gz BNRFVKCPLRSSQO-ICSRJNTNSA-N 1 3 374.916 3.448 20 0 FGADHO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110679216 495000541 /nfs/dbraw/zinc/00/05/41/495000541.db2.gz NLIBHASNGQDSKR-IBGZPJMESA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122741270 495023572 /nfs/dbraw/zinc/02/35/72/495023572.db2.gz CCZGPSAILQBDSY-HXUWFJFHSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128412048 495092999 /nfs/dbraw/zinc/09/29/99/495092999.db2.gz JKZSOPLZLMPPKQ-IRXDYDNUSA-N 1 3 360.571 3.406 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111800959 495112380 /nfs/dbraw/zinc/11/23/80/495112380.db2.gz MNFWRHSBPFEAFL-FQEVSTJZSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111884041 495125781 /nfs/dbraw/zinc/12/57/81/495125781.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111884041 495125782 /nfs/dbraw/zinc/12/57/82/495125782.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123547634 495149852 /nfs/dbraw/zinc/14/98/52/495149852.db2.gz YFLAHJTUXXJIDK-RTBURBONSA-N 1 3 359.558 3.349 20 0 FGADHO C[C@H]1C[C@@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633940 495164491 /nfs/dbraw/zinc/16/44/91/495164491.db2.gz BCEHNENLPBYUSN-XJABCFGWSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H]1C[C@@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633940 495164496 /nfs/dbraw/zinc/16/44/96/495164496.db2.gz BCEHNENLPBYUSN-XJABCFGWSA-N 1 3 354.494 3.371 20 0 FGADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC1 ZINC000568735834 505765729 /nfs/dbraw/zinc/76/57/29/505765729.db2.gz WMTDNSKTIZLALI-UHFFFAOYSA-N 1 3 364.493 3.466 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC1 ZINC000568735834 505765734 /nfs/dbraw/zinc/76/57/34/505765734.db2.gz WMTDNSKTIZLALI-UHFFFAOYSA-N 1 3 364.493 3.466 20 0 FGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000120079690 495302860 /nfs/dbraw/zinc/30/28/60/495302860.db2.gz IONJCLMSYIZRNK-UHFFFAOYSA-N 1 3 362.562 3.053 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768166 505773552 /nfs/dbraw/zinc/77/35/52/505773552.db2.gz IFEIIXBLJKDOCJ-IRXDYDNUSA-N 1 3 367.331 3.357 20 0 FGADHO C[NH+](C)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515828 495308691 /nfs/dbraw/zinc/30/86/91/495308691.db2.gz SPRWIBWPMJQWEC-MSOLQXFVSA-N 1 3 351.494 3.039 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083259 495335458 /nfs/dbraw/zinc/33/54/58/495335458.db2.gz LVMMHAKGRMHYQY-TZIWHRDSSA-N 1 3 374.573 3.271 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083259 495335461 /nfs/dbraw/zinc/33/54/61/495335461.db2.gz LVMMHAKGRMHYQY-TZIWHRDSSA-N 1 3 374.573 3.271 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCN1CCCCC1 ZINC000135892637 495341239 /nfs/dbraw/zinc/34/12/39/495341239.db2.gz NGTQVOZSXZSOOZ-SIKLNZKXSA-N 1 3 358.574 3.408 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCN1CCCCC1 ZINC000135892637 495341241 /nfs/dbraw/zinc/34/12/41/495341241.db2.gz NGTQVOZSXZSOOZ-SIKLNZKXSA-N 1 3 358.574 3.408 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372393 495381390 /nfs/dbraw/zinc/38/13/90/495381390.db2.gz SCLRCRBVANOLMM-KSZLIROESA-N 1 3 356.432 3.464 20 0 FGADHO CC[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000125150629 495398182 /nfs/dbraw/zinc/39/81/82/495398182.db2.gz DKJKYFVDHMDXQK-SFHVURJKSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000136861472 495405869 /nfs/dbraw/zinc/40/58/69/495405869.db2.gz PQQMNFLUSDJBKV-LJQANCHMSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000136861472 495405873 /nfs/dbraw/zinc/40/58/73/495405873.db2.gz PQQMNFLUSDJBKV-LJQANCHMSA-N 1 3 364.578 3.158 20 0 FGADHO Cc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(OCCN(C)C)c1 ZINC000130684406 495429733 /nfs/dbraw/zinc/42/97/33/495429733.db2.gz KMTMXXVQGDTYPI-INIZCTEOSA-N 1 3 364.534 3.033 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000130830732 495452582 /nfs/dbraw/zinc/45/25/82/495452582.db2.gz JXHLZIWXHWIHDC-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000130830732 495452586 /nfs/dbraw/zinc/45/25/86/495452586.db2.gz JXHLZIWXHWIHDC-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917734 495518829 /nfs/dbraw/zinc/51/88/29/495518829.db2.gz ODLDNMMEBKGQFL-RHSMWYFYSA-N 1 3 355.548 3.075 20 0 FGADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564982 495539719 /nfs/dbraw/zinc/53/97/19/495539719.db2.gz FKLDNRZFWAAQOM-KURKYZTESA-N 1 3 366.571 3.499 20 0 FGADHO O=C([C@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000580569168 505788582 /nfs/dbraw/zinc/78/85/82/505788582.db2.gz CAGDHRGXVOFXQE-IRLDBZIGSA-N 1 3 355.526 3.033 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154245360 495555183 /nfs/dbraw/zinc/55/51/83/495555183.db2.gz SOCHSNMMVODORL-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279807 495566832 /nfs/dbraw/zinc/56/68/32/495566832.db2.gz GWEKSUDOLUTFHP-OSFYFWSMSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279807 495566837 /nfs/dbraw/zinc/56/68/37/495566837.db2.gz GWEKSUDOLUTFHP-OSFYFWSMSA-N 1 3 361.313 3.051 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCCCN2CCCCC2)cc1 ZINC000185442995 495578456 /nfs/dbraw/zinc/57/84/56/495578456.db2.gz ROZWXGZXZFDMOV-LJQANCHMSA-N 1 3 366.571 3.403 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000154355412 495590625 /nfs/dbraw/zinc/59/06/25/495590625.db2.gz LABZKZUKMPXUBR-GOSISDBHSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154389032 495600828 /nfs/dbraw/zinc/60/08/28/495600828.db2.gz KODGBDSXIGYJRS-SJORKVTESA-N 1 3 360.571 3.406 20 0 FGADHO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000571694788 505792195 /nfs/dbraw/zinc/79/21/95/505792195.db2.gz NUSBOKRYIWMVSE-TZYHBYERSA-N 1 3 368.521 3.444 20 0 FGADHO OC[C@]1(CNC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000571693977 505792298 /nfs/dbraw/zinc/79/22/98/505792298.db2.gz FDOMTMJSHJVRRK-DNQXCXABSA-N 1 3 364.533 3.449 20 0 FGADHO CCCC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814280 495612197 /nfs/dbraw/zinc/61/21/97/495612197.db2.gz BKZZVITVIFTYBP-XLIONFOSSA-N 1 3 364.578 3.203 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676029 495673510 /nfs/dbraw/zinc/67/35/10/495673510.db2.gz QSQBPAJJLIGCDS-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676029 495673518 /nfs/dbraw/zinc/67/35/18/495673518.db2.gz QSQBPAJJLIGCDS-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676029 495673526 /nfs/dbraw/zinc/67/35/26/495673526.db2.gz QSQBPAJJLIGCDS-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO CC[NH+](CC)CCCC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000182745851 495685935 /nfs/dbraw/zinc/68/59/35/495685935.db2.gz LLCXOICDIUORRZ-UHFFFAOYSA-N 1 3 371.525 3.117 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151084388 495731981 /nfs/dbraw/zinc/73/19/81/495731981.db2.gz PKBTWDOGQWRFKJ-ZCNNSNEGSA-N 1 3 353.595 3.224 20 0 FGADHO Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229929 495883861 /nfs/dbraw/zinc/88/38/61/495883861.db2.gz HEUYLGKFNPNHTD-MOPGFXCFSA-N 1 3 357.542 3.162 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259510 495885007 /nfs/dbraw/zinc/88/50/07/495885007.db2.gz JIUCQECJQQAJDB-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ncsc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000174279536 495892888 /nfs/dbraw/zinc/89/28/88/495892888.db2.gz WYFDHQXTSRZYKR-UHFFFAOYSA-N 1 3 358.555 3.139 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000180280599 495935136 /nfs/dbraw/zinc/93/51/36/495935136.db2.gz HRIWMTPKZMTJPK-KLUKMEKLSA-N 1 3 351.535 3.379 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000183564907 496033206 /nfs/dbraw/zinc/03/32/06/496033206.db2.gz XUHXRVJVXFONAA-ROUUACIJSA-N 1 3 362.562 3.447 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177484516 496081142 /nfs/dbraw/zinc/08/11/42/496081142.db2.gz HODXWCPDTWYFAU-IYBDPMFKSA-N 1 3 366.468 3.167 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571848913 505826920 /nfs/dbraw/zinc/82/69/20/505826920.db2.gz VXRGKNXVPSUQJA-DYXWJJEUSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000571848913 505826922 /nfs/dbraw/zinc/82/69/22/505826922.db2.gz VXRGKNXVPSUQJA-DYXWJJEUSA-N 1 3 374.573 3.459 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(OC(F)(F)F)c1 ZINC000569039148 505835501 /nfs/dbraw/zinc/83/55/01/505835501.db2.gz PQGIVQWBIPOSRM-UHFFFAOYSA-N 1 3 359.436 3.043 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187206970 496339219 /nfs/dbraw/zinc/33/92/19/496339219.db2.gz JJOPOYSXCIUWLC-UHFFFAOYSA-N 1 3 351.494 3.337 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187206970 496339221 /nfs/dbraw/zinc/33/92/21/496339221.db2.gz JJOPOYSXCIUWLC-UHFFFAOYSA-N 1 3 351.494 3.337 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000162470050 496358115 /nfs/dbraw/zinc/35/81/15/496358115.db2.gz XBOBAKABPFSLPY-INMHGKMJSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000162470050 496358118 /nfs/dbraw/zinc/35/81/18/496358118.db2.gz XBOBAKABPFSLPY-INMHGKMJSA-N 1 3 366.347 3.348 20 0 FGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000178242307 496384078 /nfs/dbraw/zinc/38/40/78/496384078.db2.gz UVLMCKYSXGOXGW-MSOLQXFVSA-N 1 3 359.558 3.335 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000172712462 496397310 /nfs/dbraw/zinc/39/73/10/496397310.db2.gz DWHKFBBPPBCMPZ-UHFFFAOYSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(OCCN(C)C)c1 ZINC000178366223 496430411 /nfs/dbraw/zinc/43/04/11/496430411.db2.gz XSJXMMWXRAUONV-HNNXBMFYSA-N 1 3 373.463 3.304 20 0 FGADHO COc1ccccc1[C@@H](O)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445358 496458723 /nfs/dbraw/zinc/45/87/23/496458723.db2.gz BZUPFTJKTRQMBC-JXFKEZNVSA-N 1 3 358.482 3.020 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000163092284 496463134 /nfs/dbraw/zinc/46/31/34/496463134.db2.gz CIEFSLRBNGQYIU-HOTGVXAUSA-N 1 3 373.463 3.162 20 0 FGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000574757347 505849253 /nfs/dbraw/zinc/84/92/53/505849253.db2.gz CRKLVLALZUQELJ-INIZCTEOSA-N 1 3 350.466 3.309 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660583 496531797 /nfs/dbraw/zinc/53/17/97/496531797.db2.gz AQQMDQFOPPFYBZ-RTBURBONSA-N 1 3 371.550 3.380 20 0 FGADHO C[C@H](CC(=O)NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000163889620 496566688 /nfs/dbraw/zinc/56/66/88/496566688.db2.gz FZUFILKETBSLOY-RTBURBONSA-N 1 3 357.542 3.315 20 0 FGADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917862 496616938 /nfs/dbraw/zinc/61/69/38/496616938.db2.gz QRIXIDJCUGJNQX-OAQYLSRUSA-N 1 3 357.542 3.404 20 0 FGADHO c1cc(CN2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)ccn1 ZINC000164835256 496635037 /nfs/dbraw/zinc/63/50/37/496635037.db2.gz DBWVVDPJZMHZKC-UHFFFAOYSA-N 1 3 356.558 3.433 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000178992819 496639068 /nfs/dbraw/zinc/63/90/68/496639068.db2.gz UHQUBVHLTHXQIA-OKILXGFUSA-N 1 3 360.420 3.406 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccccc1 ZINC000179015298 496646351 /nfs/dbraw/zinc/64/63/51/496646351.db2.gz DPEFMSKINHCSCZ-PMACEKPBSA-N 1 3 352.482 3.315 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185125020 496671116 /nfs/dbraw/zinc/67/11/16/496671116.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185125020 496671119 /nfs/dbraw/zinc/67/11/19/496671119.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000173429136 496690077 /nfs/dbraw/zinc/69/00/77/496690077.db2.gz VHJCKDPRLMDVDQ-CQSZACIVSA-N 1 3 361.436 3.107 20 0 FGADHO Cc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCCN1CCCC1 ZINC000169093033 496713840 /nfs/dbraw/zinc/71/38/40/496713840.db2.gz ZRRJFXDUBODNEB-CTXDPNEZSA-N 1 3 371.525 3.329 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000182270930 496724139 /nfs/dbraw/zinc/72/41/39/496724139.db2.gz SDQDTXYNEZCLDL-KXBFYZLASA-N 1 3 358.457 3.252 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000182270930 496724142 /nfs/dbraw/zinc/72/41/42/496724142.db2.gz SDQDTXYNEZCLDL-KXBFYZLASA-N 1 3 358.457 3.252 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000263924892 496765357 /nfs/dbraw/zinc/76/53/57/496765357.db2.gz VDGOXHZVSNAOAN-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492113 496782465 /nfs/dbraw/zinc/78/24/65/496782465.db2.gz UAXKAHVWJSTFID-JXFKEZNVSA-N 1 3 370.541 3.364 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492113 496782470 /nfs/dbraw/zinc/78/24/70/496782470.db2.gz UAXKAHVWJSTFID-JXFKEZNVSA-N 1 3 370.541 3.364 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320811 496833863 /nfs/dbraw/zinc/83/38/63/496833863.db2.gz HZVIITUKNYLBMS-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320811 496833869 /nfs/dbraw/zinc/83/38/69/496833869.db2.gz HZVIITUKNYLBMS-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](NC1CC1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000578129525 505869110 /nfs/dbraw/zinc/86/91/10/505869110.db2.gz KKLPRRYWTFRYJI-ZDUSSCGKSA-N 1 3 372.340 3.414 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000269051233 496858769 /nfs/dbraw/zinc/85/87/69/496858769.db2.gz RCEUALUUCIHFEZ-MRXNPFEDSA-N 1 3 357.523 3.234 20 0 FGADHO CCCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195342052 496895682 /nfs/dbraw/zinc/89/56/82/496895682.db2.gz ZRTRVBBLGLAOEZ-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO CCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000195344165 496896025 /nfs/dbraw/zinc/89/60/25/496896025.db2.gz QSJSXTZVVZAEOM-UHFFFAOYSA-N 1 3 374.529 3.074 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000269258906 496905797 /nfs/dbraw/zinc/90/57/97/496905797.db2.gz LKYRCCYUMRGBNK-RPHTVSPISA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000269258906 496905799 /nfs/dbraw/zinc/90/57/99/496905799.db2.gz LKYRCCYUMRGBNK-RPHTVSPISA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158677 496965719 /nfs/dbraw/zinc/96/57/19/496965719.db2.gz RTLXWWHRCSXNDI-YOUFYPILSA-N 1 3 359.558 3.205 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618183 497059271 /nfs/dbraw/zinc/05/92/71/497059271.db2.gz LCUBXFOVZROSRL-WMLDXEAASA-N 1 3 370.335 3.071 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248710351 497084553 /nfs/dbraw/zinc/08/45/53/497084553.db2.gz PYVQPXFXAMSZML-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390114 497098104 /nfs/dbraw/zinc/09/81/04/497098104.db2.gz ITUBEMIFWIHMPM-CTNGQTDRSA-N 1 3 353.510 3.004 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828679 497112904 /nfs/dbraw/zinc/11/29/04/497112904.db2.gz KYCGOZJJIXMIQK-VKFKGBHESA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828679 497112907 /nfs/dbraw/zinc/11/29/07/497112907.db2.gz KYCGOZJJIXMIQK-VKFKGBHESA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248838580 497114981 /nfs/dbraw/zinc/11/49/81/497114981.db2.gz ORFRPZRAZDJICU-BRSBDYLESA-N 1 3 360.542 3.154 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236650756 497127517 /nfs/dbraw/zinc/12/75/17/497127517.db2.gz NHGIXWYLNBSYHC-SFHVURJKSA-N 1 3 363.571 3.417 20 0 FGADHO CC(C)(C)[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000236688777 497132523 /nfs/dbraw/zinc/13/25/23/497132523.db2.gz HKTZCBJLXVJVKF-QGZVFWFLSA-N 1 3 351.922 3.042 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236764130 497142926 /nfs/dbraw/zinc/14/29/26/497142926.db2.gz XMQKHUNEPAAOFG-NRFANRHFSA-N 1 3 365.521 3.247 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192550186 497147453 /nfs/dbraw/zinc/14/74/53/497147453.db2.gz JQXFFXVOFVQTSV-UHFFFAOYSA-N 1 3 355.507 3.342 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192550186 497147456 /nfs/dbraw/zinc/14/74/56/497147456.db2.gz JQXFFXVOFVQTSV-UHFFFAOYSA-N 1 3 355.507 3.342 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236845957 497155301 /nfs/dbraw/zinc/15/53/01/497155301.db2.gz WVKZYXFXQUMTRK-FUHWJXTLSA-N 1 3 371.447 3.075 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000236903718 497165734 /nfs/dbraw/zinc/16/57/34/497165734.db2.gz JRKPMAMXBSMTOU-UNMCSNQZSA-N 1 3 365.521 3.100 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000236903718 497165736 /nfs/dbraw/zinc/16/57/36/497165736.db2.gz JRKPMAMXBSMTOU-UNMCSNQZSA-N 1 3 365.521 3.100 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNCc2cnc3c(c2)c(C)nn3C)c1 ZINC000236938661 497171154 /nfs/dbraw/zinc/17/11/54/497171154.db2.gz CQFRLXNRJKVHBR-UHFFFAOYSA-N 1 3 351.498 3.408 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc21 ZINC000237000107 497178822 /nfs/dbraw/zinc/17/88/22/497178822.db2.gz VXLAGDMHSVJIGD-LJQANCHMSA-N 1 3 350.466 3.232 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009505 497180288 /nfs/dbraw/zinc/18/02/88/497180288.db2.gz ZEMHVADXUBNORF-IEBWSBKVSA-N 1 3 372.557 3.101 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393343 497197359 /nfs/dbraw/zinc/19/73/59/497197359.db2.gz SCLRCRBVANOLMM-OKZBNKHCSA-N 1 3 356.432 3.464 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000189668398 497203125 /nfs/dbraw/zinc/20/31/25/497203125.db2.gz YLEUPGQBHFAPFN-SFHVURJKSA-N 1 3 360.546 3.195 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189700258 497216496 /nfs/dbraw/zinc/21/64/96/497216496.db2.gz GQTPZTGHUMUSIQ-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000237479064 497243650 /nfs/dbraw/zinc/24/36/50/497243650.db2.gz GLVMVOWDXJPVGS-HNYYDBCASA-N 1 3 369.553 3.071 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000252007106 497294056 /nfs/dbraw/zinc/29/40/56/497294056.db2.gz XWVMPXZMLUZFNB-SYYKKAFVSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000252007106 497294059 /nfs/dbraw/zinc/29/40/59/497294059.db2.gz XWVMPXZMLUZFNB-SYYKKAFVSA-N 1 3 372.557 3.023 20 0 FGADHO N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237808351 497294469 /nfs/dbraw/zinc/29/44/69/497294469.db2.gz QBEJJCQIDOPYHF-QFIPXVFZSA-N 1 3 365.521 3.249 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000271517366 497369526 /nfs/dbraw/zinc/36/95/26/497369526.db2.gz NYJISQMPRPUUST-HXUWFJFHSA-N 1 3 355.482 3.198 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728550 497415208 /nfs/dbraw/zinc/41/52/08/497415208.db2.gz ZOTCEWDBMAQDMQ-PBASOCQRSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728550 497415212 /nfs/dbraw/zinc/41/52/12/497415212.db2.gz ZOTCEWDBMAQDMQ-PBASOCQRSA-N 1 3 368.525 3.283 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc2c1NCC2 ZINC000261656239 497428757 /nfs/dbraw/zinc/42/87/57/497428757.db2.gz BHVQWGKWVHWQBJ-UHFFFAOYSA-N 1 3 370.585 3.283 20 0 FGADHO CCOc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OCC(F)(F)F ZINC000271785282 497449209 /nfs/dbraw/zinc/44/92/09/497449209.db2.gz FLBUWNLCZOIQFV-UHFFFAOYSA-N 1 3 358.404 3.378 20 0 FGADHO CCOc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OCC(F)(F)F ZINC000271785282 497449211 /nfs/dbraw/zinc/44/92/11/497449211.db2.gz FLBUWNLCZOIQFV-UHFFFAOYSA-N 1 3 358.404 3.378 20 0 FGADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740173 497523316 /nfs/dbraw/zinc/52/33/16/497523316.db2.gz RLFAQAZIBYGAQC-WJMWBRGCSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759902 497531465 /nfs/dbraw/zinc/53/14/65/497531465.db2.gz VKQQDVNHMYMNAX-GPJHCHHRSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759902 497531467 /nfs/dbraw/zinc/53/14/67/497531467.db2.gz VKQQDVNHMYMNAX-GPJHCHHRSA-N 1 3 371.569 3.128 20 0 FGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276465794 497581089 /nfs/dbraw/zinc/58/10/89/497581089.db2.gz AWXWDKNVQQJILT-IBGZPJMESA-N 1 3 369.534 3.003 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262676514 497597789 /nfs/dbraw/zinc/59/77/89/497597789.db2.gz SOVBVZNYXKSMGC-OGAVPMENSA-N 1 3 369.553 3.419 20 0 FGADHO C[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677349 497597858 /nfs/dbraw/zinc/59/78/58/497597858.db2.gz UNQGDWOERATGLM-UTKZUKDTSA-N 1 3 365.521 3.276 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578336053 505917607 /nfs/dbraw/zinc/91/76/07/505917607.db2.gz CMXOBIXTWAHMCJ-FQEVSTJZSA-N 1 3 360.546 3.011 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578336053 505917609 /nfs/dbraw/zinc/91/76/09/505917609.db2.gz CMXOBIXTWAHMCJ-FQEVSTJZSA-N 1 3 360.546 3.011 20 0 FGADHO C(N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349578 505914348 /nfs/dbraw/zinc/91/43/48/505914348.db2.gz PKAPVBSJMFLQAQ-DZVNLGKHSA-N 1 3 360.502 3.068 20 0 FGADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246241129 497672610 /nfs/dbraw/zinc/67/26/10/497672610.db2.gz DGAFEDINOUWMMK-TZIWHRDSSA-N 1 3 351.494 3.057 20 0 FGADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246241129 497672615 /nfs/dbraw/zinc/67/26/15/497672615.db2.gz DGAFEDINOUWMMK-TZIWHRDSSA-N 1 3 351.494 3.057 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000246278417 497680543 /nfs/dbraw/zinc/68/05/43/497680543.db2.gz MHZNEGNRDOVNAB-MLZLACJZSA-N 1 3 355.526 3.076 20 0 FGADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272730603 497715084 /nfs/dbraw/zinc/71/50/84/497715084.db2.gz ZRHSHRQBIXVHEK-FQUXPLTJSA-N 1 3 369.553 3.324 20 0 FGADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1Cl ZINC000277046026 497725554 /nfs/dbraw/zinc/72/55/54/497725554.db2.gz CCEMYGMPFRUOTE-OAHLLOKOSA-N 1 3 353.894 3.093 20 0 FGADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1Cl ZINC000277046026 497725556 /nfs/dbraw/zinc/72/55/56/497725556.db2.gz CCEMYGMPFRUOTE-OAHLLOKOSA-N 1 3 353.894 3.093 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246434039 497733816 /nfs/dbraw/zinc/73/38/16/497733816.db2.gz HDSLNCVXMCLCNU-NSHGMRRFSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000246462956 497741870 /nfs/dbraw/zinc/74/18/70/497741870.db2.gz PYJVVCBKOYFVOK-PWIZWCRZSA-N 1 3 374.525 3.266 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260704 497790039 /nfs/dbraw/zinc/79/00/39/497790039.db2.gz QYMULSVJBVWYPZ-CQSZACIVSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260704 497790044 /nfs/dbraw/zinc/79/00/44/497790044.db2.gz QYMULSVJBVWYPZ-CQSZACIVSA-N 1 3 368.319 3.194 20 0 FGADHO COc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1O ZINC000263736035 497811978 /nfs/dbraw/zinc/81/19/78/497811978.db2.gz CQNNPOWDEZFMAN-UHFFFAOYSA-N 1 3 356.466 3.295 20 0 FGADHO CC1(C)[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1Oc1ccccc1 ZINC000284535830 497822945 /nfs/dbraw/zinc/82/29/45/497822945.db2.gz XGDJVGDXNZKZLI-IOMROCGXSA-N 1 3 358.526 3.323 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548372 497825505 /nfs/dbraw/zinc/82/55/05/497825505.db2.gz XVNPTCCIGBQDCT-SJORKVTESA-N 1 3 356.432 3.388 20 0 FGADHO C[C@H](NCCc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357378 497917011 /nfs/dbraw/zinc/91/70/11/497917011.db2.gz RMQPRXLNLIHJDV-LAUBAEHRSA-N 1 3 350.510 3.397 20 0 FGADHO C[C@H](NCCc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357378 497917016 /nfs/dbraw/zinc/91/70/16/497917016.db2.gz RMQPRXLNLIHJDV-LAUBAEHRSA-N 1 3 350.510 3.397 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000292241408 497936384 /nfs/dbraw/zinc/93/63/84/497936384.db2.gz UXRVMHWMOHULQV-KRWDZBQOSA-N 1 3 364.534 3.006 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000292241408 497936391 /nfs/dbraw/zinc/93/63/91/497936391.db2.gz UXRVMHWMOHULQV-KRWDZBQOSA-N 1 3 364.534 3.006 20 0 FGADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500165 505955322 /nfs/dbraw/zinc/95/53/22/505955322.db2.gz OWLUARAZEXLYLO-PKTZIBPZSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500165 505955323 /nfs/dbraw/zinc/95/53/23/505955323.db2.gz OWLUARAZEXLYLO-PKTZIBPZSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500165 505955326 /nfs/dbraw/zinc/95/53/26/505955326.db2.gz OWLUARAZEXLYLO-PKTZIBPZSA-N 1 3 352.522 3.482 20 0 FGADHO CC1(C)C(=O)N[C@H]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581318745 505960321 /nfs/dbraw/zinc/96/03/21/505960321.db2.gz GVWKCTRNLWUFAB-NRFANRHFSA-N 1 3 369.553 3.409 20 0 FGADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)c1 ZINC000575377352 505969735 /nfs/dbraw/zinc/96/97/35/505969735.db2.gz MHQZTCGBKSNGTB-IBGZPJMESA-N 1 3 374.550 3.298 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000581403061 505980288 /nfs/dbraw/zinc/98/02/88/505980288.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000581403061 505980291 /nfs/dbraw/zinc/98/02/91/505980291.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 1 3 366.575 3.159 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(OC)c1 ZINC000572492723 505982082 /nfs/dbraw/zinc/98/20/82/505982082.db2.gz QKKOACUXMWCIQM-NRFANRHFSA-N 1 3 369.509 3.009 20 0 FGADHO CN1CCN(CC2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000289484097 498164386 /nfs/dbraw/zinc/16/43/86/498164386.db2.gz QVEAOIODOVBXTP-UHFFFAOYSA-N 1 3 364.537 3.208 20 0 FGADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000569674452 505989906 /nfs/dbraw/zinc/98/99/06/505989906.db2.gz PZCBPNCCEAZIPN-QFIPXVFZSA-N 1 3 369.553 3.060 20 0 FGADHO CN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701030 505996853 /nfs/dbraw/zinc/99/68/53/505996853.db2.gz QJBPXSUOFMEZEE-VXKWHMMOSA-N 1 3 363.505 3.458 20 0 FGADHO COC(=O)c1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999024 /nfs/dbraw/zinc/99/90/24/505999024.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 1 3 364.489 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999027 /nfs/dbraw/zinc/99/90/27/505999027.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 1 3 364.489 3.427 20 0 FGADHO C[C@H](N[C@@H]1C[C@@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951864 498224999 /nfs/dbraw/zinc/22/49/99/498224999.db2.gz ICQHARGCDCLQIV-SGXKBVARSA-N 1 3 354.494 3.499 20 0 FGADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289799210 498299369 /nfs/dbraw/zinc/29/93/69/498299369.db2.gz SFKRKEFFPMAKGP-NRDMVMEKSA-N 1 3 368.525 3.233 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248439 498321461 /nfs/dbraw/zinc/32/14/61/498321461.db2.gz BLIHVSUSWYHTDJ-OXQOHEQNSA-N 1 3 360.498 3.015 20 0 FGADHO COc1cc(Br)ccc1CNCC1(SC)CC[NH+](C)CC1 ZINC000575840840 506015505 /nfs/dbraw/zinc/01/55/05/506015505.db2.gz CSEFORGQWUFCCO-UHFFFAOYSA-N 1 3 373.360 3.375 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000578806398 506024838 /nfs/dbraw/zinc/02/48/38/506024838.db2.gz OPXSPOLXWYGATM-CUWPLCDZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000578806398 506024841 /nfs/dbraw/zinc/02/48/41/506024841.db2.gz OPXSPOLXWYGATM-CUWPLCDZSA-N 1 3 357.542 3.449 20 0 FGADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826219 506025952 /nfs/dbraw/zinc/02/59/52/506025952.db2.gz RJHWYSJMMUMGHR-QAPCUYQASA-N 1 3 371.447 3.203 20 0 FGADHO CCCN(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477715 498410480 /nfs/dbraw/zinc/41/04/80/498410480.db2.gz VAWIBXWBDKBEHQ-GOSISDBHSA-N 1 3 351.922 3.181 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000569846275 506029679 /nfs/dbraw/zinc/02/96/79/506029679.db2.gz HQDQXWGNNBYNQP-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)cs1 ZINC000282185408 498416320 /nfs/dbraw/zinc/41/63/20/498416320.db2.gz FYBJCODEULOGJG-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000361785040 498430656 /nfs/dbraw/zinc/43/06/56/498430656.db2.gz RDKJJNRZPUBEPU-GOSISDBHSA-N 1 3 367.497 3.076 20 0 FGADHO CN(CCC[NH+]1CCCC1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000362641817 498530571 /nfs/dbraw/zinc/53/05/71/498530571.db2.gz SAGQDIOSLDAPDH-UHFFFAOYSA-N 1 3 358.530 3.348 20 0 FGADHO CC[C@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921155 506051951 /nfs/dbraw/zinc/05/19/51/506051951.db2.gz LMIBHEJEMUNLNW-NQIIRXRSSA-N 1 3 357.542 3.339 20 0 FGADHO COc1ccc(OC(F)F)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297718512 498546844 /nfs/dbraw/zinc/54/68/44/498546844.db2.gz RPOXWDXMGBPONZ-UHFFFAOYSA-N 1 3 363.408 3.450 20 0 FGADHO FC(F)(F)c1cccnc1OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297737022 498553131 /nfs/dbraw/zinc/55/31/31/498553131.db2.gz SRYVXMJDJAGUEY-UHFFFAOYSA-N 1 3 366.387 3.133 20 0 FGADHO CN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000297782908 498566771 /nfs/dbraw/zinc/56/67/71/498566771.db2.gz WISRIBDLMMMQSL-NHCUHLMSSA-N 1 3 372.463 3.364 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120430 498594721 /nfs/dbraw/zinc/59/47/21/498594721.db2.gz KRKOZNDTYHUMTD-ZDUSSCGKSA-N 1 3 372.376 3.114 20 0 FGADHO C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290580374 498606385 /nfs/dbraw/zinc/60/63/85/498606385.db2.gz UMEFYFZUWIOSNT-UHMOLFJZSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290580374 498606392 /nfs/dbraw/zinc/60/63/92/498606392.db2.gz UMEFYFZUWIOSNT-UHMOLFJZSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290580371 498606822 /nfs/dbraw/zinc/60/68/22/498606822.db2.gz UMEFYFZUWIOSNT-RKOGWWSCSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290580371 498606826 /nfs/dbraw/zinc/60/68/26/498606826.db2.gz UMEFYFZUWIOSNT-RKOGWWSCSA-N 1 3 370.493 3.060 20 0 FGADHO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000303987680 498733216 /nfs/dbraw/zinc/73/32/16/498733216.db2.gz LYOSIEWEFOKDMI-WOJBJXKFSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000303987680 498733225 /nfs/dbraw/zinc/73/32/25/498733225.db2.gz LYOSIEWEFOKDMI-WOJBJXKFSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000303987680 498733231 /nfs/dbraw/zinc/73/32/31/498733231.db2.gz LYOSIEWEFOKDMI-WOJBJXKFSA-N 1 3 357.498 3.004 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424428 498752293 /nfs/dbraw/zinc/75/22/93/498752293.db2.gz FQZZBEBSUQEYHA-RTBURBONSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424428 498752298 /nfs/dbraw/zinc/75/22/98/498752298.db2.gz FQZZBEBSUQEYHA-RTBURBONSA-N 1 3 374.912 3.191 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc(C[NH+]2CCCC2)c1 ZINC000291047783 498772486 /nfs/dbraw/zinc/77/24/86/498772486.db2.gz JDCOGGKWICCRMT-UHFFFAOYSA-N 1 3 351.450 3.017 20 0 FGADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000581934292 506093973 /nfs/dbraw/zinc/09/39/73/506093973.db2.gz FPEXPGOAFIQDJX-JOCHJYFZSA-N 1 3 369.557 3.100 20 0 FGADHO OC1(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692506 498839203 /nfs/dbraw/zinc/83/92/03/498839203.db2.gz WTLMVABSGNTKKF-BHDDXSALSA-N 1 3 372.553 3.198 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366254513 498843838 /nfs/dbraw/zinc/84/38/38/498843838.db2.gz IHLGJPDIILQBKA-LJQANCHMSA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366254513 498843845 /nfs/dbraw/zinc/84/38/45/498843845.db2.gz IHLGJPDIILQBKA-LJQANCHMSA-N 1 3 351.494 3.000 20 0 FGADHO C[C@@H]([N@@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000295091955 498905843 /nfs/dbraw/zinc/90/58/43/498905843.db2.gz FJTFAYAOTWRWNN-CABCVRRESA-N 1 3 354.510 3.008 20 0 FGADHO C[C@@H]([N@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000295091955 498905845 /nfs/dbraw/zinc/90/58/45/498905845.db2.gz FJTFAYAOTWRWNN-CABCVRRESA-N 1 3 354.510 3.008 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000576240184 506111230 /nfs/dbraw/zinc/11/12/30/506111230.db2.gz UTCPEICZAXYKME-GOSISDBHSA-N 1 3 353.510 3.041 20 0 FGADHO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000291422621 498934694 /nfs/dbraw/zinc/93/46/94/498934694.db2.gz ICWXHUFJQAKCOL-PMACEKPBSA-N 1 3 359.420 3.448 20 0 FGADHO C[N@@H+]1CC[C@@]2(CCN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968532 /nfs/dbraw/zinc/96/85/32/498968532.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CC[C@@]2(CCN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968541 /nfs/dbraw/zinc/96/85/41/498968541.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 1 3 351.535 3.051 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288221509 498970132 /nfs/dbraw/zinc/97/01/32/498970132.db2.gz SBNWZRXGXVLEPQ-WSTZPKSXSA-N 1 3 360.546 3.051 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288221509 498970138 /nfs/dbraw/zinc/97/01/38/498970138.db2.gz SBNWZRXGXVLEPQ-WSTZPKSXSA-N 1 3 360.546 3.051 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000288309141 498991535 /nfs/dbraw/zinc/99/15/35/498991535.db2.gz XFINGXWAOYIGQJ-DZFGPLHGSA-N 1 3 372.557 3.051 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333403197 498999180 /nfs/dbraw/zinc/99/91/80/498999180.db2.gz YXZRAOMEEGCOCL-UHFFFAOYSA-N 1 3 372.513 3.087 20 0 FGADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H]1C ZINC000283862799 499002255 /nfs/dbraw/zinc/00/22/55/499002255.db2.gz GJWYRJVJCZKSPA-DJPFJPOOSA-N 1 3 374.525 3.227 20 0 FGADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H]1C ZINC000283862804 499002323 /nfs/dbraw/zinc/00/23/23/499002323.db2.gz GJWYRJVJCZKSPA-MDKPJZGXSA-N 1 3 374.525 3.227 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CCN([C@H]4CCC[C@@H](C)C4)CC3)O2)n1 ZINC000333528724 499024159 /nfs/dbraw/zinc/02/41/59/499024159.db2.gz XRVUAJIDMVSBQS-FDPIWHGQSA-N 1 3 362.518 3.231 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307385 499086252 /nfs/dbraw/zinc/08/62/52/499086252.db2.gz ZDKWMQCPYPKGMV-VQTJNVASSA-N 1 3 364.555 3.118 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000364051645 499100366 /nfs/dbraw/zinc/10/03/66/499100366.db2.gz KUEWVQNPEOMOOQ-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122180 499119150 /nfs/dbraw/zinc/11/91/50/499119150.db2.gz AYDOETGCYIEAEH-FXAWDEMLSA-N 1 3 364.578 3.013 20 0 FGADHO COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370160840 499189911 /nfs/dbraw/zinc/18/99/11/499189911.db2.gz IMSYQSPLMFAODD-YJBOKZPZSA-N 1 3 358.511 3.064 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300071 499207079 /nfs/dbraw/zinc/20/70/79/499207079.db2.gz HYGAPDSBOFXYBV-UXLLHSPISA-N 1 3 366.575 3.016 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638196 499238314 /nfs/dbraw/zinc/23/83/14/499238314.db2.gz WOHOUAHZHFRPKK-GDBMZVCRSA-N 1 3 353.457 3.107 20 0 FGADHO COc1ccccc1C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C(C)C ZINC000370636632 499238394 /nfs/dbraw/zinc/23/83/94/499238394.db2.gz RYNPMPWUUOZXOZ-TZIWHRDSSA-N 1 3 359.558 3.020 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370645949 499239422 /nfs/dbraw/zinc/23/94/22/499239422.db2.gz NCEXAZCQYNPABC-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370695617 499245253 /nfs/dbraw/zinc/24/52/53/499245253.db2.gz BUIDNBHTHKQNMC-CVDCTZTESA-N 1 3 364.537 3.206 20 0 FGADHO CCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000368341032 499286830 /nfs/dbraw/zinc/28/68/30/499286830.db2.gz DKVAJESWTLGGOS-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000368520486 499304129 /nfs/dbraw/zinc/30/41/29/499304129.db2.gz VTTUCBRDMLCZLA-UYAOXDASSA-N 1 3 354.498 3.233 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCC34CCOCC4)CC2)c1 ZINC000368525584 499304607 /nfs/dbraw/zinc/30/46/07/499304607.db2.gz FOQSPMHMXUUIMU-JOCHJYFZSA-N 1 3 371.569 3.446 20 0 FGADHO C[N@H+](Cc1cccc(OC(F)F)c1)C1CCN(C2CCOCC2)CC1 ZINC000368851009 499339687 /nfs/dbraw/zinc/33/96/87/499339687.db2.gz NJBMMASXDITBLP-UHFFFAOYSA-N 1 3 354.441 3.363 20 0 FGADHO C[N@@H+](Cc1cccc(OC(F)F)c1)C1CCN(C2CCOCC2)CC1 ZINC000368851009 499339689 /nfs/dbraw/zinc/33/96/89/499339689.db2.gz NJBMMASXDITBLP-UHFFFAOYSA-N 1 3 354.441 3.363 20 0 FGADHO Cc1nnc(N2CCC(NCCC[N@@H+](C)C3CCCCC3)CC2)s1 ZINC000371684996 499354808 /nfs/dbraw/zinc/35/48/08/499354808.db2.gz IVPWVMSGGIWRDF-UHFFFAOYSA-N 1 3 351.564 3.060 20 0 FGADHO Cc1nnc(N2CCC(NCCC[N@H+](C)C3CCCCC3)CC2)s1 ZINC000371684996 499354810 /nfs/dbraw/zinc/35/48/10/499354810.db2.gz IVPWVMSGGIWRDF-UHFFFAOYSA-N 1 3 351.564 3.060 20 0 FGADHO Cc1nnc(N2CCC([NH2+]CCCN(C)C3CCCCC3)CC2)s1 ZINC000371684996 499354812 /nfs/dbraw/zinc/35/48/12/499354812.db2.gz IVPWVMSGGIWRDF-UHFFFAOYSA-N 1 3 351.564 3.060 20 0 FGADHO C[C@@H]1CN(CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691920 499355676 /nfs/dbraw/zinc/35/56/76/499355676.db2.gz DTCMQTXTFMJRAK-LJQANCHMSA-N 1 3 367.537 3.319 20 0 FGADHO C[C@@H]1CN(CCOc2cccc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000371691920 499355678 /nfs/dbraw/zinc/35/56/78/499355678.db2.gz DTCMQTXTFMJRAK-LJQANCHMSA-N 1 3 367.537 3.319 20 0 FGADHO C[C@@H]1CN(CCOc2cccc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000371691920 499355680 /nfs/dbraw/zinc/35/56/80/499355680.db2.gz DTCMQTXTFMJRAK-LJQANCHMSA-N 1 3 367.537 3.319 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762619 499362812 /nfs/dbraw/zinc/36/28/12/499362812.db2.gz MMGMBTPDIPGFSP-HKUYNNGSSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762619 499362813 /nfs/dbraw/zinc/36/28/13/499362813.db2.gz MMGMBTPDIPGFSP-HKUYNNGSSA-N 1 3 357.523 3.233 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382750469 499546039 /nfs/dbraw/zinc/54/60/39/499546039.db2.gz ZIPQCGKKFPUQHK-LJQANCHMSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732939 499546226 /nfs/dbraw/zinc/54/62/26/499546226.db2.gz DAHIGKXNTKNVRO-SVFBPWRDSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688288 499555190 /nfs/dbraw/zinc/55/51/90/499555190.db2.gz ZMYNRXFVWIXVOL-BAGYTPMASA-N 1 3 359.558 3.178 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397996490 499565832 /nfs/dbraw/zinc/56/58/32/499565832.db2.gz SPQHGEKRXYVFNF-XKCSPQBFSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397996490 499565833 /nfs/dbraw/zinc/56/58/33/499565833.db2.gz SPQHGEKRXYVFNF-XKCSPQBFSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000375953729 499571163 /nfs/dbraw/zinc/57/11/63/499571163.db2.gz JMAGQZIKHFLROR-SFHVURJKSA-N 1 3 364.603 3.219 20 0 FGADHO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000375953729 499571164 /nfs/dbraw/zinc/57/11/64/499571164.db2.gz JMAGQZIKHFLROR-SFHVURJKSA-N 1 3 364.603 3.219 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056437 499579205 /nfs/dbraw/zinc/57/92/05/499579205.db2.gz VVMOHHRORGQZDM-MISYRCLQSA-N 1 3 359.562 3.022 20 0 FGADHO Cc1nccn1CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596487 /nfs/dbraw/zinc/59/64/87/499596487.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 1 3 352.526 3.426 20 0 FGADHO Cc1nccn1CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596489 /nfs/dbraw/zinc/59/64/89/499596489.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 1 3 352.526 3.426 20 0 FGADHO Cc1ccccc1OC[C@@H](O)CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000582176186 506151898 /nfs/dbraw/zinc/15/18/98/506151898.db2.gz GXHZWNKZUKTBAV-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1ccccc1OC[C@@H](O)CNCc1ccccc1C[N@H+](C)C(C)C ZINC000582176186 506151901 /nfs/dbraw/zinc/15/19/01/506151901.db2.gz GXHZWNKZUKTBAV-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO C[C@@H](O)c1ncc(C[NH2+]CC2CCN(Cc3ccccc3F)CC2)s1 ZINC000377539801 499702221 /nfs/dbraw/zinc/70/22/21/499702221.db2.gz FVTAVUMWOQELIE-CQSZACIVSA-N 1 3 363.502 3.337 20 0 FGADHO COCCOc1cccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)c1 ZINC000377693260 499720652 /nfs/dbraw/zinc/72/06/52/499720652.db2.gz KBFCEKLXHNUKDM-UHFFFAOYSA-N 1 3 355.482 3.208 20 0 FGADHO COCCOc1cccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)c1 ZINC000377693260 499720654 /nfs/dbraw/zinc/72/06/54/499720654.db2.gz KBFCEKLXHNUKDM-UHFFFAOYSA-N 1 3 355.482 3.208 20 0 FGADHO c1cn(C[C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391840 499733282 /nfs/dbraw/zinc/73/32/82/499733282.db2.gz BVFJIJNJVAYGEM-NRFANRHFSA-N 1 3 353.514 3.176 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740331 /nfs/dbraw/zinc/74/03/31/499740331.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740333 /nfs/dbraw/zinc/74/03/33/499740333.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414183676 499766588 /nfs/dbraw/zinc/76/65/88/499766588.db2.gz FHSPRGQEJNGAPF-FQEVSTJZSA-N 1 3 373.585 3.332 20 0 FGADHO CC(C)CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccoc1 ZINC000414186355 499766902 /nfs/dbraw/zinc/76/69/02/499766902.db2.gz HQPRLNVLCFUJLT-HXUWFJFHSA-N 1 3 363.546 3.143 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414197737 499767874 /nfs/dbraw/zinc/76/78/74/499767874.db2.gz PWIDIDVAPSTBRN-OAQYLSRUSA-N 1 3 371.569 3.185 20 0 FGADHO OC1(C[NH2+]C2CCC3(CCOCC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000414302361 499775745 /nfs/dbraw/zinc/77/57/45/499775745.db2.gz KQCFDIHFHCCVNM-UHFFFAOYSA-N 1 3 372.553 3.343 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000414330035 499778371 /nfs/dbraw/zinc/77/83/71/499778371.db2.gz RDHQJNROWNRGCM-FCHUYYIVSA-N 1 3 369.553 3.442 20 0 FGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414551246 499807281 /nfs/dbraw/zinc/80/72/81/499807281.db2.gz FBQICQQRPQIVPF-AVRDEDQJSA-N 1 3 369.553 3.466 20 0 FGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414551251 499807485 /nfs/dbraw/zinc/80/74/85/499807485.db2.gz FBQICQQRPQIVPF-PGRDOPGGSA-N 1 3 369.553 3.466 20 0 FGADHO C[C@H]1C[C@H](CN2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731577 499824106 /nfs/dbraw/zinc/82/41/06/499824106.db2.gz HZYBXGJHLOKSFS-UONOGXRCSA-N 1 3 372.376 3.016 20 0 FGADHO C[C@H]1C[C@@H](CN2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731558 499824277 /nfs/dbraw/zinc/82/42/77/499824277.db2.gz HZYBXGJHLOKSFS-KBPBESRZSA-N 1 3 372.376 3.016 20 0 FGADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741559 499825615 /nfs/dbraw/zinc/82/56/15/499825615.db2.gz RZSJIGLSIXPIDI-CHWSQXEVSA-N 1 3 357.420 3.143 20 0 FGADHO Clc1ccc(-n2cc(CNCC[C@@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414833017 499835536 /nfs/dbraw/zinc/83/55/36/499835536.db2.gz FTNVLYRCYONQAQ-LBPRGKRZSA-N 1 3 354.285 3.053 20 0 FGADHO [NH3+]CCCCNCc1cc(Br)ccc1OCc1ccccn1 ZINC000414898297 499843090 /nfs/dbraw/zinc/84/30/90/499843090.db2.gz DNORGMIPQLIIGV-UHFFFAOYSA-N 1 3 364.287 3.252 20 0 FGADHO COc1ccc(OCc2nc(CNCC3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414897374 499843097 /nfs/dbraw/zinc/84/30/97/499843097.db2.gz DUVHMNBHNCAUHS-UHFFFAOYSA-N 1 3 361.511 3.210 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414902223 499843190 /nfs/dbraw/zinc/84/31/90/499843190.db2.gz GYGWWULQSFIPIP-ACJLOTCBSA-N 1 3 353.894 3.045 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902223 499843192 /nfs/dbraw/zinc/84/31/92/499843192.db2.gz GYGWWULQSFIPIP-ACJLOTCBSA-N 1 3 353.894 3.045 20 0 FGADHO CC1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]CC1 ZINC000414904748 499843248 /nfs/dbraw/zinc/84/32/48/499843248.db2.gz NXUFTBBVIYGPSG-UHFFFAOYSA-N 1 3 363.303 3.319 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414908146 499843731 /nfs/dbraw/zinc/84/37/31/499843731.db2.gz RHNLQRVJJOFOQS-CHWSQXEVSA-N 1 3 359.392 3.034 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414917934 499844702 /nfs/dbraw/zinc/84/47/02/499844702.db2.gz SNCYAYHHODTWHO-SUMWQHHRSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414917934 499844704 /nfs/dbraw/zinc/84/47/04/499844704.db2.gz SNCYAYHHODTWHO-SUMWQHHRSA-N 1 3 368.319 3.146 20 0 FGADHO COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001117 499853539 /nfs/dbraw/zinc/85/35/39/499853539.db2.gz KPFYDKGNDFMXOZ-OXFYSEKESA-N 1 3 357.473 3.143 20 0 FGADHO COc1cccc(C[C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001117 499853540 /nfs/dbraw/zinc/85/35/40/499853540.db2.gz KPFYDKGNDFMXOZ-OXFYSEKESA-N 1 3 357.473 3.143 20 0 FGADHO O=C1CCCN1Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415077415 499861200 /nfs/dbraw/zinc/86/12/00/499861200.db2.gz FBGCJYXEGZYWKD-VXKWHMMOSA-N 1 3 363.505 3.392 20 0 FGADHO CCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119358 499866053 /nfs/dbraw/zinc/86/60/53/499866053.db2.gz FDXQHFIESRKZMV-QUCCMNQESA-N 1 3 362.514 3.202 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123099 499866549 /nfs/dbraw/zinc/86/65/49/499866549.db2.gz KXOACJSQZCTBSJ-AEFFLSMTSA-N 1 3 354.441 3.049 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124684 499866760 /nfs/dbraw/zinc/86/67/60/499866760.db2.gz NAQUIXNLIAWIRH-DYESRHJHSA-N 1 3 361.505 3.144 20 0 FGADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OCC ZINC000415132416 499868361 /nfs/dbraw/zinc/86/83/61/499868361.db2.gz UDQXLISFJQLAJB-RXVVDRJESA-N 1 3 362.514 3.202 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1SC ZINC000415132698 499868383 /nfs/dbraw/zinc/86/83/83/499868383.db2.gz UJJDASZHZKFNEM-LPHOPBHVSA-N 1 3 350.528 3.135 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137150 499869222 /nfs/dbraw/zinc/86/92/22/499869222.db2.gz XTZVQXKILUEIRN-CTNGQTDRSA-N 1 3 361.505 3.144 20 0 FGADHO [NH3+]CC1(O)CCN(Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000415146276 499870211 /nfs/dbraw/zinc/87/02/11/499870211.db2.gz YBHPXWUEHYLBGC-UHFFFAOYSA-N 1 3 360.885 3.205 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CCNC(C)(C)C3)c2)CC1 ZINC000415388951 499890688 /nfs/dbraw/zinc/89/06/88/499890688.db2.gz IEXGDDDCRFGFMP-UHFFFAOYSA-N 1 3 358.530 3.177 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894560 499925106 /nfs/dbraw/zinc/92/51/06/499925106.db2.gz MKWJHHJNDGKESN-KDOFPFPSSA-N 1 3 356.470 3.176 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415929426 499929756 /nfs/dbraw/zinc/92/97/56/499929756.db2.gz HAXJCBPXKRZPHM-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000415934767 499930469 /nfs/dbraw/zinc/93/04/69/499930469.db2.gz QPRUVWWVGGQZAC-UHFFFAOYSA-N 1 3 367.497 3.229 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000415949167 499932385 /nfs/dbraw/zinc/93/23/85/499932385.db2.gz BKJIPFGGRVDASB-UHFFFAOYSA-N 1 3 362.493 3.057 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415959481 499933579 /nfs/dbraw/zinc/93/35/79/499933579.db2.gz ZHYQCWLOIVPIFG-LBPRGKRZSA-N 1 3 372.435 3.358 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964521 499934473 /nfs/dbraw/zinc/93/44/73/499934473.db2.gz WLCUFGNKPBRJIE-HXUWFJFHSA-N 1 3 354.498 3.423 20 0 FGADHO NCc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000415968936 499935371 /nfs/dbraw/zinc/93/53/71/499935371.db2.gz JIROGEMMLIWHBU-INIZCTEOSA-N 1 3 370.419 3.256 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971258 499935701 /nfs/dbraw/zinc/93/57/01/499935701.db2.gz GFTHUBPQLCQQIX-UZLBHIALSA-N 1 3 352.482 3.320 20 0 FGADHO NCc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc(C(F)(F)F)c1 ZINC000415973013 499936055 /nfs/dbraw/zinc/93/60/55/499936055.db2.gz PONLYDDZVJJDLY-UHFFFAOYSA-N 1 3 370.419 3.160 20 0 FGADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146356 499958046 /nfs/dbraw/zinc/95/80/46/499958046.db2.gz UIXQIIXIEMRTHB-WOIUINJBSA-N 1 3 369.553 3.299 20 0 FGADHO CN1CC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000416177573 499969808 /nfs/dbraw/zinc/96/98/08/499969808.db2.gz GEHNQAVOBFLFDH-TUNNFDKTSA-N 1 3 351.494 3.241 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417214493 500007253 /nfs/dbraw/zinc/00/72/53/500007253.db2.gz KZGXDNBXGBKASQ-NRFANRHFSA-N 1 3 370.541 3.069 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293177 500030720 /nfs/dbraw/zinc/03/07/20/500030720.db2.gz DZUJYBGIZOXTQZ-DVOMOZLQSA-N 1 3 374.451 3.123 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000416845414 500137124 /nfs/dbraw/zinc/13/71/24/500137124.db2.gz RRZCPDNDIFNFKP-RTWAWAEBSA-N 1 3 366.509 3.040 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc4c3CCNC4)C2)CC1 ZINC000573342077 506175742 /nfs/dbraw/zinc/17/57/42/506175742.db2.gz MWBKBTIVYLMLNA-SFHVURJKSA-N 1 3 370.541 3.308 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828971 500179589 /nfs/dbraw/zinc/17/95/89/500179589.db2.gz QVXNVHONTSTBEM-QMMLZNLJSA-N 1 3 372.557 3.104 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccsc1 ZINC000417004763 500182470 /nfs/dbraw/zinc/18/24/70/500182470.db2.gz HXXKUNNREPAGQF-SFHVURJKSA-N 1 3 366.575 3.162 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430132540 500197632 /nfs/dbraw/zinc/19/76/32/500197632.db2.gz CHRDXCWGBCCUQD-OAQYLSRUSA-N 1 3 357.542 3.077 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430132540 500197635 /nfs/dbraw/zinc/19/76/35/500197635.db2.gz CHRDXCWGBCCUQD-OAQYLSRUSA-N 1 3 357.542 3.077 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417988176 500210562 /nfs/dbraw/zinc/21/05/62/500210562.db2.gz RVMBNYGCIKWJDE-LJQANCHMSA-N 1 3 368.525 3.068 20 0 FGADHO CCCN(C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043068 500219298 /nfs/dbraw/zinc/21/92/98/500219298.db2.gz YJEUIXYKCRVSQF-NRFANRHFSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166069 500240524 /nfs/dbraw/zinc/24/05/24/500240524.db2.gz YWFVYJCAIZVTTM-HKUYNNGSSA-N 1 3 360.546 3.104 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183876 500244443 /nfs/dbraw/zinc/24/44/43/500244443.db2.gz OXZMRGMEKNJXEG-WMLDXEAASA-N 1 3 354.926 3.150 20 0 FGADHO C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418190128 500245657 /nfs/dbraw/zinc/24/56/57/500245657.db2.gz WBMGJUDWUPRXPN-WMQCIHAUSA-N 1 3 368.525 3.457 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418211837 500249642 /nfs/dbraw/zinc/24/96/42/500249642.db2.gz IUXVECJSJYYKFQ-SXLOBPIMSA-N 1 3 360.546 3.059 20 0 FGADHO [NH3+]C[C@@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642439 500265638 /nfs/dbraw/zinc/26/56/38/500265638.db2.gz KMFWWESXPSJEPK-OXJNMPFZSA-N 1 3 357.523 3.015 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418357105 500268110 /nfs/dbraw/zinc/26/81/10/500268110.db2.gz QMQWUCMSOPTWMU-QRWLVFNGSA-N 1 3 354.498 3.329 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418423187 500274135 /nfs/dbraw/zinc/27/41/35/500274135.db2.gz FLDVIIAMRJARTF-HXUWFJFHSA-N 1 3 360.546 3.230 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000418461498 500280168 /nfs/dbraw/zinc/28/01/68/500280168.db2.gz LXXUHFLVQJMJOX-GOSISDBHSA-N 1 3 368.525 3.288 20 0 FGADHO CC1(C)CN(C(=O)NCCCC[NH3+])[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418530477 500287761 /nfs/dbraw/zinc/28/77/61/500287761.db2.gz QZWNJWPUHOLCNQ-FQEVSTJZSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708305 500287719 /nfs/dbraw/zinc/28/77/19/500287719.db2.gz IXFKZTDDOQQHEL-KDOFPFPSSA-N 1 3 355.448 3.400 20 0 FGADHO C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708304 500287792 /nfs/dbraw/zinc/28/77/92/500287792.db2.gz IXFKZTDDOQQHEL-KBXCAEBGSA-N 1 3 355.448 3.400 20 0 FGADHO C[C@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708306 500288027 /nfs/dbraw/zinc/28/80/27/500288027.db2.gz IXFKZTDDOQQHEL-KSSFIOAISA-N 1 3 355.448 3.400 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717803 500289173 /nfs/dbraw/zinc/28/91/73/500289173.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 1 3 352.526 3.064 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717803 500289175 /nfs/dbraw/zinc/28/91/75/500289175.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 1 3 352.526 3.064 20 0 FGADHO CN(C)Cc1cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746276 500293824 /nfs/dbraw/zinc/29/38/24/500293824.db2.gz NOZZTTJKSZXAAH-RBBKRZOGSA-N 1 3 369.484 3.233 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)cc1 ZINC000422754191 500294528 /nfs/dbraw/zinc/29/45/28/500294528.db2.gz JFUUWQHHLFMRCF-NMNUPHIUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422754191 500294529 /nfs/dbraw/zinc/29/45/29/500294529.db2.gz JFUUWQHHLFMRCF-NMNUPHIUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)c1 ZINC000422763049 500295012 /nfs/dbraw/zinc/29/50/12/500295012.db2.gz OKOAMFISYNKOAO-LEOXJPRUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422763049 500295016 /nfs/dbraw/zinc/29/50/16/500295016.db2.gz OKOAMFISYNKOAO-LEOXJPRUSA-N 1 3 367.537 3.380 20 0 FGADHO CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)Cc1cccc(Br)c1 ZINC000422761409 500295441 /nfs/dbraw/zinc/29/54/41/500295441.db2.gz RFIHJPXLAOUVTQ-LTCOOKNTSA-N 1 3 369.347 3.360 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778769 500296757 /nfs/dbraw/zinc/29/67/57/500296757.db2.gz AXPMQSNJOGPAFA-QFIXIFRTSA-N 1 3 356.441 3.439 20 0 FGADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422780641 500296825 /nfs/dbraw/zinc/29/68/25/500296825.db2.gz JQBJPWFSZMNIAL-OGWHTMIXSA-N 1 3 363.933 3.056 20 0 FGADHO CN(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000418622443 500297565 /nfs/dbraw/zinc/29/75/65/500297565.db2.gz VLHJRTFRINGYOU-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797884 500299170 /nfs/dbraw/zinc/29/91/70/500299170.db2.gz OWSLNFNJBYVTBP-KODHJQJWSA-N 1 3 354.897 3.140 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802937 500299834 /nfs/dbraw/zinc/29/98/34/500299834.db2.gz IAHAQGVIRUYOTN-UONOGXRCSA-N 1 3 370.440 3.260 20 0 FGADHO CC1(C(=O)NC[C@H](N)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000422803844 500300660 /nfs/dbraw/zinc/30/06/60/500300660.db2.gz JSIXZMPQTPSLIW-FQEVSTJZSA-N 1 3 351.494 3.105 20 0 FGADHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(C[NH3+])nc3C)ccc2NC1=O ZINC000422812773 500300946 /nfs/dbraw/zinc/30/09/46/500300946.db2.gz QXVIWQXXVDSRDT-JMERFSKESA-N 1 3 368.481 3.370 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422826953 500302939 /nfs/dbraw/zinc/30/29/39/500302939.db2.gz RRBLLRBVHHOEQH-UKRRQHHQSA-N 1 3 353.894 3.093 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422826953 500302940 /nfs/dbraw/zinc/30/29/40/500302940.db2.gz RRBLLRBVHHOEQH-UKRRQHHQSA-N 1 3 353.894 3.093 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422844403 500304638 /nfs/dbraw/zinc/30/46/38/500304638.db2.gz LRNRAIHHESELQD-VQTJNVASSA-N 1 3 366.553 3.224 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847086 500305474 /nfs/dbraw/zinc/30/54/74/500305474.db2.gz QZYARHXGNYIEQZ-XJKSGUPXSA-N 1 3 366.502 3.274 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422852491 500306036 /nfs/dbraw/zinc/30/60/36/500306036.db2.gz AWOKOHJALZHLNW-HSQYWUDLSA-N 1 3 354.494 3.245 20 0 FGADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418681755 500307032 /nfs/dbraw/zinc/30/70/32/500307032.db2.gz ZCAUIYZNKITSME-WSTZPKSXSA-N 1 3 360.546 3.371 20 0 FGADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422869545 500308285 /nfs/dbraw/zinc/30/82/85/500308285.db2.gz ANLYJOFTQVXYTQ-MYGLTJDJSA-N 1 3 369.553 3.121 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918225 500316266 /nfs/dbraw/zinc/31/62/66/500316266.db2.gz HNYNPDVCYPHFPS-GUYCJALGSA-N 1 3 354.441 3.327 20 0 FGADHO CO[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923784 500317854 /nfs/dbraw/zinc/31/78/54/500317854.db2.gz XBJXFEAAFMRPQH-TYPHKJRUSA-N 1 3 356.441 3.359 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931356 500319140 /nfs/dbraw/zinc/31/91/40/500319140.db2.gz XJKRMSYNZIOBPV-KBXCAEBGSA-N 1 3 360.885 3.202 20 0 FGADHO COc1ccccc1SC[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422940568 500320477 /nfs/dbraw/zinc/32/04/77/500320477.db2.gz HBRYPOXSICGMPO-VSZNYVQBSA-N 1 3 364.555 3.170 20 0 FGADHO CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422945356 500322100 /nfs/dbraw/zinc/32/21/00/500322100.db2.gz UFMQGYZNWUXERH-OAHLLOKOSA-N 1 3 354.498 3.229 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431012861 500322853 /nfs/dbraw/zinc/32/28/53/500322853.db2.gz GTBZDOAVXKVCFI-ZWKOTPCHSA-N 1 3 365.521 3.481 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951282 500322852 /nfs/dbraw/zinc/32/28/52/500322852.db2.gz XVYCWHARBYYVQZ-MPGHIAIKSA-N 1 3 366.347 3.383 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)N1CCc2ccccc21 ZINC000422961337 500324539 /nfs/dbraw/zinc/32/45/39/500324539.db2.gz YWYPJXMWCADHDW-XUVXKRRUSA-N 1 3 355.526 3.256 20 0 FGADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000422964282 500324643 /nfs/dbraw/zinc/32/46/43/500324643.db2.gz IDQKPOKTBGKRGZ-PGRDOPGGSA-N 1 3 367.537 3.272 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981870 500326700 /nfs/dbraw/zinc/32/67/00/500326700.db2.gz PLMRZIFOVCTOQC-JPYJTQIMSA-N 1 3 367.537 3.261 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981869 500326837 /nfs/dbraw/zinc/32/68/37/500326837.db2.gz PLMRZIFOVCTOQC-FDDCHVKYSA-N 1 3 367.537 3.261 20 0 FGADHO c1ccc2c(c1)CCC[C@@H]2OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422984194 500327188 /nfs/dbraw/zinc/32/71/88/500327188.db2.gz XKYWRGNRXUFCKU-YSFYHYPLSA-N 1 3 358.526 3.217 20 0 FGADHO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423027257 500332442 /nfs/dbraw/zinc/33/24/42/500332442.db2.gz REKNKTZRXILZDV-LSDHHAIUSA-N 1 3 357.498 3.395 20 0 FGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCCCC[C@@H]3[NH3+])nc12 ZINC000423036470 500333708 /nfs/dbraw/zinc/33/37/08/500333708.db2.gz LDDUMHZQKVKESC-HOTGVXAUSA-N 1 3 365.319 3.197 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423045059 500334389 /nfs/dbraw/zinc/33/43/89/500334389.db2.gz BHILSLLOLIJPSQ-OAGGEKHMSA-N 1 3 357.420 3.076 20 0 FGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048767 500335327 /nfs/dbraw/zinc/33/53/27/500335327.db2.gz ITCPTGOZDKACFH-CHWSQXEVSA-N 1 3 357.420 3.025 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC3 ZINC000423050266 500335700 /nfs/dbraw/zinc/33/57/00/500335700.db2.gz YTDBINWWKPADKG-CIVUBGFFSA-N 1 3 353.510 3.080 20 0 FGADHO Cn1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064107 500337503 /nfs/dbraw/zinc/33/75/03/500337503.db2.gz QLASPXQVAKGYOQ-CEXWTWQISA-N 1 3 361.917 3.121 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092656 500341278 /nfs/dbraw/zinc/34/12/78/500341278.db2.gz CVGUMCWMADTYSE-AVGNSLFASA-N 1 3 360.283 3.328 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000423106971 500343467 /nfs/dbraw/zinc/34/34/67/500343467.db2.gz KDEXJLWEAHGFOS-RHSMWYFYSA-N 1 3 366.347 3.232 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000423106971 500343469 /nfs/dbraw/zinc/34/34/69/500343469.db2.gz KDEXJLWEAHGFOS-RHSMWYFYSA-N 1 3 366.347 3.232 20 0 FGADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173192 500351216 /nfs/dbraw/zinc/35/12/16/500351216.db2.gz XIJAZCXIVGJGHL-XMGTWHOFSA-N 1 3 350.462 3.144 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCNCc1cccnc1 ZINC000423187786 500353106 /nfs/dbraw/zinc/35/31/06/500353106.db2.gz MTMMUADAGLRAJO-KNQAVFIVSA-N 1 3 352.526 3.062 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1Cc1ccccc1 ZINC000427152502 500359878 /nfs/dbraw/zinc/35/98/78/500359878.db2.gz KEMIVMLDPKVOPG-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423360359 500367229 /nfs/dbraw/zinc/36/72/29/500367229.db2.gz LHJOPGKPCXBYEB-XLIONFOSSA-N 1 3 351.494 3.014 20 0 FGADHO Cc1cc([C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375147 500368437 /nfs/dbraw/zinc/36/84/37/500368437.db2.gz CWNMARMIZRTZAK-DLBZAZTESA-N 1 3 359.411 3.011 20 0 FGADHO NC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000423387132 500369659 /nfs/dbraw/zinc/36/96/59/500369659.db2.gz HOZNTAUMGCHKHM-QHCPKHFHSA-N 1 3 360.505 3.489 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396099 500370321 /nfs/dbraw/zinc/37/03/21/500370321.db2.gz RGXDUJVUONNUIN-VCOUNFBDSA-N 1 3 357.542 3.121 20 0 FGADHO COCC1(CN[C@@H](C)c2cc(Cl)c(OC)cc2OC)CC[NH2+]CC1 ZINC000423405383 500371201 /nfs/dbraw/zinc/37/12/01/500371201.db2.gz ZFGUULVFDJGUIC-ZDUSSCGKSA-N 1 3 356.894 3.024 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000423451728 500376168 /nfs/dbraw/zinc/37/61/68/500376168.db2.gz YNHMVKVYGCJPEE-XNJJOIOASA-N 1 3 353.304 3.496 20 0 FGADHO Fc1ccc([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccn2)cc1 ZINC000423505404 500379727 /nfs/dbraw/zinc/37/97/27/500379727.db2.gz HRFPPNQRRNOLKL-AOMIVXANSA-N 1 3 368.500 3.116 20 0 FGADHO COc1ccsc1[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423544713 500383497 /nfs/dbraw/zinc/38/34/97/500383497.db2.gz CILJRZUWBCSGRD-INIZCTEOSA-N 1 3 359.539 3.401 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423541246 500383799 /nfs/dbraw/zinc/38/37/99/500383799.db2.gz ANMVKRSBUZPKRF-NRFANRHFSA-N 1 3 365.521 3.266 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423906263 500417794 /nfs/dbraw/zinc/41/77/94/500417794.db2.gz PWZDCBWWMQDEQC-MISYRCLQSA-N 1 3 355.526 3.188 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423906263 500417795 /nfs/dbraw/zinc/41/77/95/500417795.db2.gz PWZDCBWWMQDEQC-MISYRCLQSA-N 1 3 355.526 3.188 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299926 500436434 /nfs/dbraw/zinc/43/64/34/500436434.db2.gz JRPUGBVJZBACER-UGKGYDQZSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299926 500436435 /nfs/dbraw/zinc/43/64/35/500436435.db2.gz JRPUGBVJZBACER-UGKGYDQZSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299924 500436934 /nfs/dbraw/zinc/43/69/34/500436934.db2.gz JRPUGBVJZBACER-SIKLNZKXSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299924 500436937 /nfs/dbraw/zinc/43/69/37/500436937.db2.gz JRPUGBVJZBACER-SIKLNZKXSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307925 500438490 /nfs/dbraw/zinc/43/84/90/500438490.db2.gz RRVZBEURQMUYBO-GMAHTHKFSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307925 500438493 /nfs/dbraw/zinc/43/84/93/500438493.db2.gz RRVZBEURQMUYBO-GMAHTHKFSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@H]2c2ccccc2Cl)cc1 ZINC000420310615 500439241 /nfs/dbraw/zinc/43/92/41/500439241.db2.gz MMYRZOCLMINPLZ-UZLBHIALSA-N 1 3 359.901 3.037 20 0 FGADHO CC(C)(C)c1ccc(OCCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325029 500441336 /nfs/dbraw/zinc/44/13/36/500441336.db2.gz HWQGGXGLBGJGID-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420325029 500441339 /nfs/dbraw/zinc/44/13/39/500441339.db2.gz HWQGGXGLBGJGID-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420325029 500441342 /nfs/dbraw/zinc/44/13/42/500441342.db2.gz HWQGGXGLBGJGID-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431903065 500441398 /nfs/dbraw/zinc/44/13/98/500441398.db2.gz MNKCMZOBCXPAST-FCHUYYIVSA-N 1 3 365.521 3.460 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335003 500444239 /nfs/dbraw/zinc/44/42/39/500444239.db2.gz HAMYLCNKWNJHDH-NHCUHLMSSA-N 1 3 357.542 3.055 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340153 500444859 /nfs/dbraw/zinc/44/48/59/500444859.db2.gz MSOOQJBYQJNIEX-HBMCJLEFSA-N 1 3 357.542 3.212 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1)C(C)C ZINC000424086521 500450472 /nfs/dbraw/zinc/45/04/72/500450472.db2.gz ZHNGIJASGABCGK-HXUWFJFHSA-N 1 3 351.494 3.447 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1)C(C)C ZINC000424086521 500450476 /nfs/dbraw/zinc/45/04/76/500450476.db2.gz ZHNGIJASGABCGK-HXUWFJFHSA-N 1 3 351.494 3.447 20 0 FGADHO CSc1ccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391108 500453989 /nfs/dbraw/zinc/45/39/89/500453989.db2.gz OARDNSUQZOWMND-QFBILLFUSA-N 1 3 350.528 3.006 20 0 FGADHO COc1ccc([C@@H](CN)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421312 500458474 /nfs/dbraw/zinc/45/84/74/500458474.db2.gz YQPHKLVTTJYFEW-LPHOPBHVSA-N 1 3 350.466 3.274 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN[C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421312 500458476 /nfs/dbraw/zinc/45/84/76/500458476.db2.gz YQPHKLVTTJYFEW-LPHOPBHVSA-N 1 3 350.466 3.274 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604194 506197111 /nfs/dbraw/zinc/19/71/11/506197111.db2.gz NTSUPCFDFQXMLJ-NRFANRHFSA-N 1 3 355.526 3.134 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604194 506197115 /nfs/dbraw/zinc/19/71/15/506197115.db2.gz NTSUPCFDFQXMLJ-NRFANRHFSA-N 1 3 355.526 3.134 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146365 500474520 /nfs/dbraw/zinc/47/45/20/500474520.db2.gz OHNGXOFVUJLHTD-RXVVDRJESA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000576612355 506198359 /nfs/dbraw/zinc/19/83/59/506198359.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000576612355 506198360 /nfs/dbraw/zinc/19/83/60/506198360.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)O[C@H](CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283950 500491488 /nfs/dbraw/zinc/49/14/88/500491488.db2.gz CJIMOGOEZVZOAU-KSEOMHKRSA-N 1 3 359.558 3.111 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCCN3C)cc2)CC1 ZINC000420755293 500495330 /nfs/dbraw/zinc/49/53/30/500495330.db2.gz CNFDJEWZIWRXJQ-NRFANRHFSA-N 1 3 372.557 3.154 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428457949 500512525 /nfs/dbraw/zinc/51/25/25/500512525.db2.gz IAJUZXYAETXXGG-QHAWAJNXSA-N 1 3 371.569 3.429 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCOCCc3ccccc3)CC2)CC1 ZINC000420975401 500545312 /nfs/dbraw/zinc/54/53/12/500545312.db2.gz FWPKLFZCCYOSJH-UHFFFAOYSA-N 1 3 373.585 3.128 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCOCCc3ccccc3)CC2)CC1 ZINC000420975401 500545313 /nfs/dbraw/zinc/54/53/13/500545313.db2.gz FWPKLFZCCYOSJH-UHFFFAOYSA-N 1 3 373.585 3.128 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000447239083 500579638 /nfs/dbraw/zinc/57/96/38/500579638.db2.gz MFZXMMOXFKNDPG-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO OCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000447578872 500628103 /nfs/dbraw/zinc/62/81/03/500628103.db2.gz HXTSDWKXZCCHQS-DKUWSORSSA-N 1 3 366.505 3.343 20 0 FGADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCOCC[NH+](C)C ZINC000447592856 500630822 /nfs/dbraw/zinc/63/08/22/500630822.db2.gz OCPIXIRDSMREPC-ZDUSSCGKSA-N 1 3 351.491 3.486 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000433229880 500651233 /nfs/dbraw/zinc/65/12/33/500651233.db2.gz SQOXMPLICOAXIX-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447982214 500701107 /nfs/dbraw/zinc/70/11/07/500701107.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447982214 500701110 /nfs/dbraw/zinc/70/11/10/500701110.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000438051476 500731545 /nfs/dbraw/zinc/73/15/45/500731545.db2.gz QWQWSTPOKCDBSC-WMZOPIPTSA-N 1 3 362.518 3.011 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000448204733 500732721 /nfs/dbraw/zinc/73/27/21/500732721.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 1 3 374.573 3.176 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000448204733 500732723 /nfs/dbraw/zinc/73/27/23/500732723.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 1 3 374.573 3.176 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189675 500808715 /nfs/dbraw/zinc/80/87/15/500808715.db2.gz OFSMSPGCJFIHLZ-SJLPKXTDSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189675 500808717 /nfs/dbraw/zinc/80/87/17/500808717.db2.gz OFSMSPGCJFIHLZ-SJLPKXTDSA-N 1 3 363.571 3.043 20 0 FGADHO CCOC(=O)c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)[nH]c1C ZINC000449066608 500915953 /nfs/dbraw/zinc/91/59/53/500915953.db2.gz DFSSRMNUPGIYEW-UHFFFAOYSA-N 1 3 355.482 3.385 20 0 FGADHO CC1(C)CCCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000444883050 500916738 /nfs/dbraw/zinc/91/67/38/500916738.db2.gz UPCVUDAIHFJXEK-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO COCC[N@H+](C)CCCNCc1ccnc2c(Br)cccc12 ZINC000449075643 500918754 /nfs/dbraw/zinc/91/87/54/500918754.db2.gz FRYHPIKRSVUAJL-UHFFFAOYSA-N 1 3 366.303 3.055 20 0 FGADHO COCC[N@@H+](C)CCCNCc1ccnc2c(Br)cccc12 ZINC000449075643 500918757 /nfs/dbraw/zinc/91/87/57/500918757.db2.gz FRYHPIKRSVUAJL-UHFFFAOYSA-N 1 3 366.303 3.055 20 0 FGADHO c1cc2cccc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)c2o1 ZINC000449105715 500926696 /nfs/dbraw/zinc/92/66/96/500926696.db2.gz FEKSJODGXPCAKH-UHFFFAOYSA-N 1 3 350.466 3.130 20 0 FGADHO [NH3+]CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435368627 500960844 /nfs/dbraw/zinc/96/08/44/500960844.db2.gz BVQRCGCAGQKQSZ-UHFFFAOYSA-N 1 3 352.404 3.121 20 0 FGADHO CC[NH2+]CC1CCN(Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435380882 500963762 /nfs/dbraw/zinc/96/37/62/500963762.db2.gz UFJXIPMHMMKIHQ-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CCOC(=O)c1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[nH]c1C ZINC000449296309 500969167 /nfs/dbraw/zinc/96/91/67/500969167.db2.gz YOOBJXZLPQFPKT-GOSISDBHSA-N 1 3 355.482 3.112 20 0 FGADHO CN(CCCN(C)Cc1cnc(-c2ccccc2F)s1)CC[NH+](C)C ZINC000449327227 500978451 /nfs/dbraw/zinc/97/84/51/500978451.db2.gz BYOMFRQSZPHELZ-UHFFFAOYSA-N 1 3 364.534 3.265 20 0 FGADHO CCO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000449490819 501015550 /nfs/dbraw/zinc/01/55/50/501015550.db2.gz CZZSNDOMZJJWHR-XMSQKQJNSA-N 1 3 359.558 3.464 20 0 FGADHO CCO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000449490819 501015552 /nfs/dbraw/zinc/01/55/52/501015552.db2.gz CZZSNDOMZJJWHR-XMSQKQJNSA-N 1 3 359.558 3.464 20 0 FGADHO COc1cc(Br)c(CNC(C)(C)CCC[NH+](C)C)cc1O ZINC000449529649 501026261 /nfs/dbraw/zinc/02/62/61/501026261.db2.gz YRAJDAKZAFWQGF-UHFFFAOYSA-N 1 3 359.308 3.373 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597308 501040431 /nfs/dbraw/zinc/04/04/31/501040431.db2.gz ZAHFJNXIZSXHQZ-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000449597308 501040433 /nfs/dbraw/zinc/04/04/33/501040433.db2.gz ZAHFJNXIZSXHQZ-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000446002792 501061407 /nfs/dbraw/zinc/06/14/07/501061407.db2.gz PENBSNFHPVMXID-BHDDXSALSA-N 1 3 365.521 3.331 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446589539 501138411 /nfs/dbraw/zinc/13/84/11/501138411.db2.gz KWRYGIUHXMDVDZ-LJQANCHMSA-N 1 3 358.530 3.177 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446589539 501138414 /nfs/dbraw/zinc/13/84/14/501138414.db2.gz KWRYGIUHXMDVDZ-LJQANCHMSA-N 1 3 358.530 3.177 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446744933 501159966 /nfs/dbraw/zinc/15/99/66/501159966.db2.gz KQHJKELEFXOUOX-QFIPXVFZSA-N 1 3 359.558 3.119 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000607721814 506238037 /nfs/dbraw/zinc/23/80/37/506238037.db2.gz VDAPBCUJGQUSAS-IAGOWNOFSA-N 1 3 362.518 3.011 20 0 FGADHO Brc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)OCO2 ZINC000446882773 501176682 /nfs/dbraw/zinc/17/66/82/501176682.db2.gz BXBHSVSLQITBMV-UHFFFAOYSA-N 1 3 367.287 3.142 20 0 FGADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(Cl)c(OC)c1 ZINC000451037677 501241192 /nfs/dbraw/zinc/24/11/92/501241192.db2.gz QCOZAKMQFGCIMB-UHFFFAOYSA-N 1 3 353.938 3.198 20 0 FGADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(Cl)c(OC)c1 ZINC000451037677 501241193 /nfs/dbraw/zinc/24/11/93/501241193.db2.gz QCOZAKMQFGCIMB-UHFFFAOYSA-N 1 3 353.938 3.198 20 0 FGADHO COC1([C@@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000453080189 501264690 /nfs/dbraw/zinc/26/46/90/501264690.db2.gz DSPJSFGJVPIZKM-MRXNPFEDSA-N 1 3 352.544 3.134 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698594 501289778 /nfs/dbraw/zinc/28/97/78/501289778.db2.gz ZCIGDXYYYFICGH-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698594 501289781 /nfs/dbraw/zinc/28/97/81/501289781.db2.gz ZCIGDXYYYFICGH-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498074 501307153 /nfs/dbraw/zinc/30/71/53/501307153.db2.gz NDQBCUMGQBINRQ-VXKWHMMOSA-N 1 3 373.585 3.376 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000457804729 501312675 /nfs/dbraw/zinc/31/26/75/501312675.db2.gz UMPYDTIHEFFHHY-LJQANCHMSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455483349 501315469 /nfs/dbraw/zinc/31/54/69/501315469.db2.gz XLZQXMORLJDNBZ-BRIRTLKKSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455483349 501315471 /nfs/dbraw/zinc/31/54/71/501315471.db2.gz XLZQXMORLJDNBZ-BRIRTLKKSA-N 1 3 370.541 3.136 20 0 FGADHO COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(Br)c1[O-] ZINC000453606213 501359703 /nfs/dbraw/zinc/35/97/03/501359703.db2.gz VICDQMRWVFETPG-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(Br)c1[O-] ZINC000453606213 501359704 /nfs/dbraw/zinc/35/97/04/501359704.db2.gz VICDQMRWVFETPG-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO C[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172537 501384456 /nfs/dbraw/zinc/38/44/56/501384456.db2.gz QUEXZQNDVCRSLG-SIKLNZKXSA-N 1 3 371.569 3.178 20 0 FGADHO C[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172537 501384458 /nfs/dbraw/zinc/38/44/58/501384458.db2.gz QUEXZQNDVCRSLG-SIKLNZKXSA-N 1 3 371.569 3.178 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000611673542 506250505 /nfs/dbraw/zinc/25/05/05/506250505.db2.gz KZHNPTLKKAMTSB-OAQYLSRUSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522836 501465418 /nfs/dbraw/zinc/46/54/18/501465418.db2.gz YKYZSWDDSBZITK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456206347 501474979 /nfs/dbraw/zinc/47/49/79/501474979.db2.gz QRWSMTNQNNXXGZ-GOSISDBHSA-N 1 3 363.521 3.274 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC1 ZINC000452736241 501553982 /nfs/dbraw/zinc/55/39/82/501553982.db2.gz YTCAMAZXAJEFCG-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459263206 501621398 /nfs/dbraw/zinc/62/13/98/501621398.db2.gz MCIVCLWCSRNVNY-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459263206 501621399 /nfs/dbraw/zinc/62/13/99/501621399.db2.gz MCIVCLWCSRNVNY-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000598993896 506266355 /nfs/dbraw/zinc/26/63/55/506266355.db2.gz DQKZMGLXMPIMFX-AWEZNQCLSA-N 1 3 360.454 3.050 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000467353856 501775544 /nfs/dbraw/zinc/77/55/44/501775544.db2.gz BDOGAUCHSSZOBQ-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000467353856 501775551 /nfs/dbraw/zinc/77/55/51/501775551.db2.gz BDOGAUCHSSZOBQ-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000467353856 501775556 /nfs/dbraw/zinc/77/55/56/501775556.db2.gz BDOGAUCHSSZOBQ-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000467369508 501778573 /nfs/dbraw/zinc/77/85/73/501778573.db2.gz ZAABKNLYSOMRBX-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000467369508 501778581 /nfs/dbraw/zinc/77/85/81/501778581.db2.gz ZAABKNLYSOMRBX-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000467369508 501778587 /nfs/dbraw/zinc/77/85/87/501778587.db2.gz ZAABKNLYSOMRBX-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO CCS[C@@H]1CCCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385788 501811322 /nfs/dbraw/zinc/81/13/22/501811322.db2.gz GCWSVTBCFSEHOF-RTBURBONSA-N 1 3 363.571 3.013 20 0 FGADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000474464488 501844981 /nfs/dbraw/zinc/84/49/81/501844981.db2.gz POTKKULXSZNUDL-FGZHOGPDSA-N 1 3 359.558 3.119 20 0 FGADHO CC[C@@H](CN(CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733834 501868364 /nfs/dbraw/zinc/86/83/64/501868364.db2.gz JNXPLWZNEWXIBZ-SFHVURJKSA-N 1 3 357.542 3.245 20 0 FGADHO O[C@H](CCc1ccccc1)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470993045 501885528 /nfs/dbraw/zinc/88/55/28/501885528.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 1 3 350.506 3.044 20 0 FGADHO O[C@H](CCc1ccccc1)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470993045 501885532 /nfs/dbraw/zinc/88/55/32/501885532.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 1 3 350.506 3.044 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000468089342 501952513 /nfs/dbraw/zinc/95/25/13/501952513.db2.gz VOWWTYIVGOVGIU-LJQANCHMSA-N 1 3 363.571 3.383 20 0 FGADHO CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000478408687 501971677 /nfs/dbraw/zinc/97/16/77/501971677.db2.gz VSOKVJQERRWSIR-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000464653822 502056142 /nfs/dbraw/zinc/05/61/42/502056142.db2.gz XIKGCOFOWSLSGK-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000468552999 502102633 /nfs/dbraw/zinc/10/26/33/502102633.db2.gz JRRXHWYFIACZPW-IBGZPJMESA-N 1 3 360.542 3.399 20 0 FGADHO CC[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N(CC)CC ZINC000461451932 502119282 /nfs/dbraw/zinc/11/92/82/502119282.db2.gz GOVAZFMJJJWADX-QWFCFKBJSA-N 1 3 359.558 3.380 20 0 FGADHO N[C@@H](CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000471791591 502137543 /nfs/dbraw/zinc/13/75/43/502137543.db2.gz WMKNAWCQAGTMSM-FDFHNCONSA-N 1 3 365.521 3.275 20 0 FGADHO CNC(=O)c1cccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831107 502148171 /nfs/dbraw/zinc/14/81/71/502148171.db2.gz KBOJVDKTBJKBKT-VXKWHMMOSA-N 1 3 365.521 3.218 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479058772 502150803 /nfs/dbraw/zinc/15/08/03/502150803.db2.gz KAOXGAZEZYNPMR-MRXNPFEDSA-N 1 3 367.331 3.218 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1F ZINC000486439687 502154094 /nfs/dbraw/zinc/15/40/94/502154094.db2.gz YPVRMCUEPGBKSY-SFHVURJKSA-N 1 3 364.509 3.268 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1F ZINC000486439687 502154096 /nfs/dbraw/zinc/15/40/96/502154096.db2.gz YPVRMCUEPGBKSY-SFHVURJKSA-N 1 3 364.509 3.268 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479221146 502196670 /nfs/dbraw/zinc/19/66/70/502196670.db2.gz IJCCWCVRRVGMDQ-DNVCBOLYSA-N 1 3 357.473 3.114 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000472051712 502211990 /nfs/dbraw/zinc/21/19/90/502211990.db2.gz IJKSCEKNBNLTMR-UXHICEINSA-N 1 3 360.546 3.195 20 0 FGADHO C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725135 502265832 /nfs/dbraw/zinc/26/58/32/502265832.db2.gz XYMSWCQLKGLSGI-CEXWTWQISA-N 1 3 357.542 3.265 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)CC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910452 502300466 /nfs/dbraw/zinc/30/04/66/502300466.db2.gz HYKRGKUYFRIWFK-GHTZIAJQSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)CC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910452 502300469 /nfs/dbraw/zinc/30/04/69/502300469.db2.gz HYKRGKUYFRIWFK-GHTZIAJQSA-N 1 3 357.542 3.135 20 0 FGADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000462123818 502315201 /nfs/dbraw/zinc/31/52/01/502315201.db2.gz RWKDGPZRXFNEEW-QGZVFWFLSA-N 1 3 369.347 3.207 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721452 502359884 /nfs/dbraw/zinc/35/98/84/502359884.db2.gz KGYFMGUKBQXRQJ-CEWLAPEOSA-N 1 3 372.557 3.242 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721452 502359890 /nfs/dbraw/zinc/35/98/90/502359890.db2.gz KGYFMGUKBQXRQJ-CEWLAPEOSA-N 1 3 372.557 3.242 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813830 502392833 /nfs/dbraw/zinc/39/28/33/502392833.db2.gz OSGVWIDCZVIKBB-NRFANRHFSA-N 1 3 372.557 3.346 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)N(C)C)cc1 ZINC000483513093 502416120 /nfs/dbraw/zinc/41/61/20/502416120.db2.gz BGNYTCRBNQEHQL-QMMLZNLJSA-N 1 3 374.573 3.366 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)N(C)C)cc1 ZINC000483513093 502416125 /nfs/dbraw/zinc/41/61/25/502416125.db2.gz BGNYTCRBNQEHQL-QMMLZNLJSA-N 1 3 374.573 3.366 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494892 /nfs/dbraw/zinc/49/48/92/502494892.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494899 /nfs/dbraw/zinc/49/48/99/502494899.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191339 502496519 /nfs/dbraw/zinc/49/65/19/502496519.db2.gz OHFPYUPCYSNKRQ-UONOGXRCSA-N 1 3 365.424 3.036 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242323 502514669 /nfs/dbraw/zinc/51/46/69/502514669.db2.gz URQNKFVPIZIUKM-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)CN(C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000469767863 502537668 /nfs/dbraw/zinc/53/76/68/502537668.db2.gz ZZZKRKPSKGPTNT-OALUTQOASA-N 1 3 371.569 3.380 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000473299682 502562645 /nfs/dbraw/zinc/56/26/45/502562645.db2.gz HVHBXFZGHJNAKX-SFHVURJKSA-N 1 3 351.560 3.243 20 0 FGADHO [NH3+]CCCOC1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000469853018 502568457 /nfs/dbraw/zinc/56/84/57/502568457.db2.gz RSPRIWYSVDCOHC-UHFFFAOYSA-N 1 3 364.493 3.355 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487965479 502582133 /nfs/dbraw/zinc/58/21/33/502582133.db2.gz TWJFUHGIZCYYSZ-ROUUACIJSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487965479 502582138 /nfs/dbraw/zinc/58/21/38/502582138.db2.gz TWJFUHGIZCYYSZ-ROUUACIJSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823675 502588704 /nfs/dbraw/zinc/58/87/04/502588704.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823675 502588707 /nfs/dbraw/zinc/58/87/07/502588707.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480606218 502618017 /nfs/dbraw/zinc/61/80/17/502618017.db2.gz CRYBZIBTDXFGTA-IFMALSPDSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609545 502618793 /nfs/dbraw/zinc/61/87/93/502618793.db2.gz LPDNTNBEILAVCS-IRXDYDNUSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609545 502618800 /nfs/dbraw/zinc/61/88/00/502618800.db2.gz LPDNTNBEILAVCS-IRXDYDNUSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480614396 502621586 /nfs/dbraw/zinc/62/15/86/502621586.db2.gz PNAWQJXCRZWQKD-URVUXULASA-N 1 3 359.558 3.303 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN1CCCCC1 ZINC000480705244 502648389 /nfs/dbraw/zinc/64/83/89/502648389.db2.gz QJKJDZVQIBDNOG-URVUXULASA-N 1 3 359.558 3.160 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N(CC)CC ZINC000470083512 502653704 /nfs/dbraw/zinc/65/37/04/502653704.db2.gz VYEPUWBBOWIIBD-XLIONFOSSA-N 1 3 361.530 3.466 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N(CC)CC ZINC000470083512 502653709 /nfs/dbraw/zinc/65/37/09/502653709.db2.gz VYEPUWBBOWIIBD-XLIONFOSSA-N 1 3 361.530 3.466 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](CC(C)C)C2)CC1 ZINC000466723844 502654873 /nfs/dbraw/zinc/65/48/73/502654873.db2.gz ZFJZJIDPIVSCAP-HXUWFJFHSA-N 1 3 371.569 3.444 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000477192575 502703595 /nfs/dbraw/zinc/70/35/95/502703595.db2.gz KJUGEVBFXZMGJP-HBMCJLEFSA-N 1 3 372.557 3.069 20 0 FGADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000488421484 502710673 /nfs/dbraw/zinc/71/06/73/502710673.db2.gz RRAQBUNSNQBRBA-LJQANCHMSA-N 1 3 359.558 3.396 20 0 FGADHO Fc1ccc(CC[NH+]2CCC(NCCOc3ncccc3F)CC2)cc1 ZINC000463188627 502715275 /nfs/dbraw/zinc/71/52/75/502715275.db2.gz DTQDVDLZZBHNOZ-UHFFFAOYSA-N 1 3 361.436 3.035 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466922233 502727116 /nfs/dbraw/zinc/72/71/16/502727116.db2.gz VTROXXRYGZDGEI-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000488513706 502737646 /nfs/dbraw/zinc/73/76/46/502737646.db2.gz HUMLGTQRSXHXNJ-WIYYLYMNSA-N 1 3 357.542 3.134 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000477340484 502747798 /nfs/dbraw/zinc/74/77/98/502747798.db2.gz UENILOLAKATWOU-OAQYLSRUSA-N 1 3 374.573 3.414 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000470377300 502754971 /nfs/dbraw/zinc/75/49/71/502754971.db2.gz YYQYWJUSVQYTNB-UHFFFAOYSA-N 1 3 363.505 3.452 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000473986830 502771621 /nfs/dbraw/zinc/77/16/21/502771621.db2.gz YYPOEWRQEXIVSK-CBNMVNINSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)CC1 ZINC000474102170 502809779 /nfs/dbraw/zinc/80/97/79/502809779.db2.gz CUDDVKQEQLCHLD-OAQYLSRUSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)CC1 ZINC000474102170 502809782 /nfs/dbraw/zinc/80/97/82/502809782.db2.gz CUDDVKQEQLCHLD-OAQYLSRUSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163488 502951984 /nfs/dbraw/zinc/95/19/84/502951984.db2.gz MQBHUCXACLUQIA-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163488 502951987 /nfs/dbraw/zinc/95/19/87/502951987.db2.gz MQBHUCXACLUQIA-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162387 502952161 /nfs/dbraw/zinc/95/21/61/502952161.db2.gz JRFNOBNQKOXPDE-SFHVURJKSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccsc1 ZINC000501162392 502952300 /nfs/dbraw/zinc/95/23/00/502952300.db2.gz JSZLHZDQJXQJEH-SFHVURJKSA-N 1 3 366.575 3.306 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961790 /nfs/dbraw/zinc/96/17/90/502961790.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 1 3 358.574 3.003 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961794 /nfs/dbraw/zinc/96/17/94/502961794.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 1 3 358.574 3.003 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[C@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694617 502969751 /nfs/dbraw/zinc/96/97/51/502969751.db2.gz DKVNSALNPODSJF-QHCPKHFHSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCCN3CC[C@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699673 502970656 /nfs/dbraw/zinc/97/06/56/502970656.db2.gz RTPGPSFVUQBMLY-JOCHJYFZSA-N 1 3 370.585 3.007 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497758634 503035240 /nfs/dbraw/zinc/03/52/40/503035240.db2.gz LHLGKHWIQVITOF-KRWDZBQOSA-N 1 3 355.592 3.021 20 0 FGADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798379 503038429 /nfs/dbraw/zinc/03/84/29/503038429.db2.gz XDNNYONCCWHVCV-ZDUSSCGKSA-N 1 3 372.282 3.120 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046043 /nfs/dbraw/zinc/04/60/43/503046043.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046048 /nfs/dbraw/zinc/04/60/48/503046048.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501749822 503071920 /nfs/dbraw/zinc/07/19/20/503071920.db2.gz URNOSMNBTRRIEK-LJQANCHMSA-N 1 3 365.949 3.495 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501749822 503071925 /nfs/dbraw/zinc/07/19/25/503071925.db2.gz URNOSMNBTRRIEK-LJQANCHMSA-N 1 3 365.949 3.495 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000501763558 503074827 /nfs/dbraw/zinc/07/48/27/503074827.db2.gz FUVRTEDCOADHPR-SFHVURJKSA-N 1 3 355.473 3.022 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260146 503080475 /nfs/dbraw/zinc/08/04/75/503080475.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260146 503080478 /nfs/dbraw/zinc/08/04/78/503080478.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 1 3 357.542 3.278 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000501811394 503084629 /nfs/dbraw/zinc/08/46/29/503084629.db2.gz XMVJWSFEJSMYCI-YLJYHZDGSA-N 1 3 360.546 3.025 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501846879 503092869 /nfs/dbraw/zinc/09/28/69/503092869.db2.gz AZHPHKYHROTULX-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501846879 503092874 /nfs/dbraw/zinc/09/28/74/503092874.db2.gz AZHPHKYHROTULX-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO CCN1CCN(c2ccccc2CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000506370299 503104474 /nfs/dbraw/zinc/10/44/74/503104474.db2.gz OIUOZMDQKVHQRK-UHFFFAOYSA-N 1 3 358.574 3.133 20 0 FGADHO CCCCN(C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506716536 503160369 /nfs/dbraw/zinc/16/03/69/503160369.db2.gz NBDBCRYVDSPTTK-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CC[NH+](CC)CCCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000498356987 503166325 /nfs/dbraw/zinc/16/63/25/503166325.db2.gz WJAQABVHRFEDQD-UHFFFAOYSA-N 1 3 374.573 3.069 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000498412661 503182191 /nfs/dbraw/zinc/18/21/91/503182191.db2.gz IDNNNQYDXBWFBH-GHTZIAJQSA-N 1 3 374.573 3.407 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CN(C)C)Cc1ccccc1 ZINC000498555918 503209846 /nfs/dbraw/zinc/20/98/46/503209846.db2.gz CGGYODDPAJPHKI-NRFANRHFSA-N 1 3 367.537 3.431 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633276 503242463 /nfs/dbraw/zinc/24/24/63/503242463.db2.gz XTCJWWPJNFZBRQ-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000498705304 503242922 /nfs/dbraw/zinc/24/29/22/503242922.db2.gz ORNLMUIWTUMJHC-UYAOXDASSA-N 1 3 362.562 3.486 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000502784885 503271524 /nfs/dbraw/zinc/27/15/24/503271524.db2.gz PUKKVGDJSUMDNW-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO Clc1ccc(CCCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000491140403 503279265 /nfs/dbraw/zinc/27/92/65/503279265.db2.gz UBNAAIKQUMJKOX-INIZCTEOSA-N 1 3 356.341 3.296 20 0 FGADHO CCOc1cc(C[NH2+]C[C@H](C)CN(C)C)cc(Br)c1OC ZINC000491589171 503322327 /nfs/dbraw/zinc/32/23/27/503322327.db2.gz OLAPDWNRJQGNMS-LBPRGKRZSA-N 1 3 359.308 3.144 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000499108877 503336497 /nfs/dbraw/zinc/33/64/97/503336497.db2.gz CRNINFCCNASHLI-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000499108877 503336499 /nfs/dbraw/zinc/33/64/99/503336499.db2.gz CRNINFCCNASHLI-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCO[C@@H]([C@@H](NC2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443456 503338583 /nfs/dbraw/zinc/33/85/83/503338583.db2.gz SWRPCLAVDDVSIM-TUNPWDSISA-N 1 3 365.949 3.174 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480696 503347159 /nfs/dbraw/zinc/34/71/59/503347159.db2.gz UFNANGDMONGKON-SJORKVTESA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480696 503347163 /nfs/dbraw/zinc/34/71/63/503347163.db2.gz UFNANGDMONGKON-SJORKVTESA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480696 503347165 /nfs/dbraw/zinc/34/71/65/503347165.db2.gz UFNANGDMONGKON-SJORKVTESA-N 1 3 365.949 3.397 20 0 FGADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000515804477 503404786 /nfs/dbraw/zinc/40/47/86/503404786.db2.gz FZMFDWSBHBPGJW-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441081 503409838 /nfs/dbraw/zinc/40/98/38/503409838.db2.gz GNKADKCINNDFBH-UXHICEINSA-N 1 3 364.578 3.016 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000511900516 503410766 /nfs/dbraw/zinc/41/07/66/503410766.db2.gz HIEUMXQNMGLNBW-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000515879641 503416222 /nfs/dbraw/zinc/41/62/22/503416222.db2.gz CCXDISOPEOOPNH-IERDGZPVSA-N 1 3 373.516 3.342 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409879 503425799 /nfs/dbraw/zinc/42/57/99/503425799.db2.gz CPIDDQXQHALFBQ-SFHVURJKSA-N 1 3 358.530 3.273 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814729 503448021 /nfs/dbraw/zinc/44/80/21/503448021.db2.gz WKLWKRNHBPNDKU-KSZLIROESA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814729 503448026 /nfs/dbraw/zinc/44/80/26/503448026.db2.gz WKLWKRNHBPNDKU-KSZLIROESA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H]1CCC[C@](CNC(=O)NCc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000516155376 503457019 /nfs/dbraw/zinc/45/70/19/503457019.db2.gz VTXIFMKZCYBJCA-UWJYYQICSA-N 1 3 360.546 3.058 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000512364570 503529251 /nfs/dbraw/zinc/52/92/51/503529251.db2.gz INOKBXGKKAVUKM-UHFFFAOYSA-N 1 3 359.514 3.352 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718621 503550160 /nfs/dbraw/zinc/55/01/60/503550160.db2.gz OAYQZDJIDHIINS-JRGCBEDISA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718621 503550165 /nfs/dbraw/zinc/55/01/65/503550165.db2.gz OAYQZDJIDHIINS-JRGCBEDISA-N 1 3 366.505 3.499 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](N(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435493 503550587 /nfs/dbraw/zinc/55/05/87/503550587.db2.gz JDIYFCBDRDINRS-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](N(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435493 503550590 /nfs/dbraw/zinc/55/05/90/503550590.db2.gz JDIYFCBDRDINRS-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722319 503551274 /nfs/dbraw/zinc/55/12/74/503551274.db2.gz XFLSUEJANDTLHU-PKOBYXMFSA-N 1 3 364.493 3.242 20 0 FGADHO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508848860 503576178 /nfs/dbraw/zinc/57/61/78/503576178.db2.gz AYZDHKHDCJNHET-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000508851448 503577229 /nfs/dbraw/zinc/57/72/29/503577229.db2.gz HHODYFOYFUMZDW-YLJYHZDGSA-N 1 3 360.546 3.289 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000508895911 503591854 /nfs/dbraw/zinc/59/18/54/503591854.db2.gz MAZKXRWLLDXFJE-JPLJXNOCSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000508895911 503591860 /nfs/dbraw/zinc/59/18/60/503591860.db2.gz MAZKXRWLLDXFJE-JPLJXNOCSA-N 1 3 360.546 3.110 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000500272206 503593484 /nfs/dbraw/zinc/59/34/84/503593484.db2.gz FKNZFAUPCOAEBN-UHFFFAOYSA-N 1 3 367.493 3.475 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508896489 503593530 /nfs/dbraw/zinc/59/35/30/503593530.db2.gz MXHJLNZTQSYYCW-GGPKGHCWSA-N 1 3 360.546 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N(C)C ZINC000508899187 503594212 /nfs/dbraw/zinc/59/42/12/503594212.db2.gz OAMCJBNROYZAHY-ZVDOUQERSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@@H](C)O1 ZINC000536710322 503692007 /nfs/dbraw/zinc/69/20/07/503692007.db2.gz QOWBLMZKAAUMTL-IAGOWNOFSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@@H](C)O1 ZINC000536710322 503692016 /nfs/dbraw/zinc/69/20/16/503692016.db2.gz QOWBLMZKAAUMTL-IAGOWNOFSA-N 1 3 356.514 3.274 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCCN3C)c2)CC1 ZINC000536722930 503696124 /nfs/dbraw/zinc/69/61/24/503696124.db2.gz WLASMLCRDYZKFY-FQEVSTJZSA-N 1 3 358.530 3.177 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024179 503798097 /nfs/dbraw/zinc/79/80/97/503798097.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024179 503798098 /nfs/dbraw/zinc/79/80/98/503798098.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530028359 503801771 /nfs/dbraw/zinc/80/17/71/503801771.db2.gz KUFVYXITIGIBJZ-INIZCTEOSA-N 1 3 355.482 3.241 20 0 FGADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1Br ZINC000540610434 503833932 /nfs/dbraw/zinc/83/39/32/503833932.db2.gz HNPOKNVAPMWMHH-UHFFFAOYSA-N 1 3 355.320 3.082 20 0 FGADHO C[C@@H](CCO)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCC1 ZINC000540644547 503843532 /nfs/dbraw/zinc/84/35/32/503843532.db2.gz NBDGBNILUJQQQS-IBGZPJMESA-N 1 3 373.585 3.495 20 0 FGADHO CC(C)C[C@H](N[C@@H]1CCc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000540746999 503877142 /nfs/dbraw/zinc/87/71/42/503877142.db2.gz BFOUPEWCSYIXHK-MSOLQXFVSA-N 1 3 351.922 3.009 20 0 FGADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000533548878 503885650 /nfs/dbraw/zinc/88/56/50/503885650.db2.gz ASUKOLNPHRSTDS-QZTJIDSGSA-N 1 3 369.509 3.059 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccsc1 ZINC000540928767 503942020 /nfs/dbraw/zinc/94/20/20/503942020.db2.gz WZPYSASXMPCMPQ-GOSISDBHSA-N 1 3 360.527 3.169 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942703 /nfs/dbraw/zinc/94/27/03/503942703.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942708 /nfs/dbraw/zinc/94/27/08/503942708.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO CN(C)CC[C@@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046388 503986120 /nfs/dbraw/zinc/98/61/20/503986120.db2.gz VDECMTZAMUEDKW-HZPDHXFCSA-N 1 3 373.463 3.058 20 0 FGADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000541155299 504024357 /nfs/dbraw/zinc/02/43/57/504024357.db2.gz BGWNVNKYAXURGG-OKZBNKHCSA-N 1 3 358.530 3.363 20 0 FGADHO CCc1ccc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)o2)cc1 ZINC000530641780 504036423 /nfs/dbraw/zinc/03/64/23/504036423.db2.gz KWVYVNSQIQLRPL-UHFFFAOYSA-N 1 3 357.498 3.074 20 0 FGADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000538159418 504149661 /nfs/dbraw/zinc/14/96/61/504149661.db2.gz FMIQIPIIPSYXEK-INIZCTEOSA-N 1 3 369.431 3.275 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000531067604 504176944 /nfs/dbraw/zinc/17/69/44/504176944.db2.gz AVVHOOAEWUDKNY-IBGZPJMESA-N 1 3 359.901 3.434 20 0 FGADHO COCCOCCCC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538260764 504180494 /nfs/dbraw/zinc/18/04/94/504180494.db2.gz HULYLFDOKHIZGU-LJQANCHMSA-N 1 3 362.514 3.007 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000544595496 504185428 /nfs/dbraw/zinc/18/54/28/504185428.db2.gz YMSNXCLFNKXRHJ-UHFFFAOYSA-N 1 3 371.569 3.250 20 0 FGADHO CO[C@@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000528397209 504206438 /nfs/dbraw/zinc/20/64/38/504206438.db2.gz SKKWJBCVGAHAIL-FQEVSTJZSA-N 1 3 350.478 3.090 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000538337079 504213173 /nfs/dbraw/zinc/21/31/73/504213173.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000538337079 504213178 /nfs/dbraw/zinc/21/31/78/504213178.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 1 3 370.541 3.122 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000547757902 504213557 /nfs/dbraw/zinc/21/35/57/504213557.db2.gz ZWOGEVGHPDIQHX-UHFFFAOYSA-N 1 3 369.509 3.388 20 0 FGADHO CCOc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393625 504232853 /nfs/dbraw/zinc/23/28/53/504232853.db2.gz BVIQUDCXXNGEHL-NVXWUHKLSA-N 1 3 373.497 3.070 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780927 504252104 /nfs/dbraw/zinc/25/21/04/504252104.db2.gz ISOCRTWTNOYNTK-KSZLIROESA-N 1 3 366.594 3.115 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780927 504252105 /nfs/dbraw/zinc/25/21/05/504252105.db2.gz ISOCRTWTNOYNTK-KSZLIROESA-N 1 3 366.594 3.115 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974455 504298792 /nfs/dbraw/zinc/29/87/92/504298792.db2.gz PKKRFWOKGPWNDH-LJQANCHMSA-N 1 3 363.933 3.250 20 0 FGADHO O=C(Nc1ccc2c(c1)OCCNC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528712867 504344909 /nfs/dbraw/zinc/34/49/09/504344909.db2.gz KHBZAKKQBNYJCX-UHFFFAOYSA-N 1 3 372.513 3.087 20 0 FGADHO CC(C)c1nc(CN2CCC(C[NH+]3CCOCC3)CC2)c2ccccn21 ZINC000519830297 504356155 /nfs/dbraw/zinc/35/61/55/504356155.db2.gz VDOWACDEHWXCIZ-UHFFFAOYSA-N 1 3 356.514 3.002 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000538763410 504362956 /nfs/dbraw/zinc/36/29/56/504362956.db2.gz BZGCLNBYUJNULD-UHFFFAOYSA-N 1 3 357.542 3.221 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC3(C2)CCOCC3)CC1 ZINC000538763410 504362960 /nfs/dbraw/zinc/36/29/60/504362960.db2.gz BZGCLNBYUJNULD-UHFFFAOYSA-N 1 3 357.542 3.221 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531683354 504392196 /nfs/dbraw/zinc/39/21/96/504392196.db2.gz IEXJHPZHVHBVPH-KBPBESRZSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531683354 504392200 /nfs/dbraw/zinc/39/22/00/504392200.db2.gz IEXJHPZHVHBVPH-KBPBESRZSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204701 504395301 /nfs/dbraw/zinc/39/53/01/504395301.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204701 504395304 /nfs/dbraw/zinc/39/53/04/504395304.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000531700010 504396969 /nfs/dbraw/zinc/39/69/69/504396969.db2.gz GOMQMEYYDKEXDL-QHCPKHFHSA-N 1 3 373.585 3.379 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162383 504491066 /nfs/dbraw/zinc/49/10/66/504491066.db2.gz ZLCZBZDAJSTPFZ-HXUWFJFHSA-N 1 3 374.529 3.238 20 0 FGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199499 504495922 /nfs/dbraw/zinc/49/59/22/504495922.db2.gz GQUYGKGZSWOFBT-XLIONFOSSA-N 1 3 361.505 3.234 20 0 FGADHO COCCC[NH+]1CCC(N[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539200950 504496875 /nfs/dbraw/zinc/49/68/75/504496875.db2.gz HXONBXIEHILQFC-LJQANCHMSA-N 1 3 361.486 3.321 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299135 504523141 /nfs/dbraw/zinc/52/31/41/504523141.db2.gz WDKZZTJQGYKIHJ-QRVBRYPASA-N 1 3 368.525 3.337 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000520775191 504579891 /nfs/dbraw/zinc/57/98/91/504579891.db2.gz NJYVHEFWQBMLEP-HXUWFJFHSA-N 1 3 373.541 3.108 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)CCN(C)c2ccncc2)c1 ZINC000542784580 504608971 /nfs/dbraw/zinc/60/89/71/504608971.db2.gz DYSLGBHJSRNGSY-UHFFFAOYSA-N 1 3 354.498 3.066 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000539861646 504720820 /nfs/dbraw/zinc/72/08/20/504720820.db2.gz XEBMDPINOVPBAZ-QZTJIDSGSA-N 1 3 358.526 3.333 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000521589366 504761283 /nfs/dbraw/zinc/76/12/83/504761283.db2.gz YUVXGPCPCCZGIB-OALUTQOASA-N 1 3 357.542 3.007 20 0 FGADHO Cc1cc(C)n(-c2ccc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2)n1 ZINC000565044275 504779910 /nfs/dbraw/zinc/77/99/10/504779910.db2.gz QZROLYSUTHAGRG-YADHBBJMSA-N 1 3 368.525 3.207 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234071 504824892 /nfs/dbraw/zinc/82/48/92/504824892.db2.gz ULBDCTFLYCSEFW-YJBOKZPZSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234071 504824896 /nfs/dbraw/zinc/82/48/96/504824896.db2.gz ULBDCTFLYCSEFW-YJBOKZPZSA-N 1 3 373.463 3.370 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c2ccccc21 ZINC000559767426 504924590 /nfs/dbraw/zinc/92/45/90/504924590.db2.gz WVFIGBVEOBAPFX-GOSISDBHSA-N 1 3 373.516 3.020 20 0 FGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000562748289 504931841 /nfs/dbraw/zinc/93/18/41/504931841.db2.gz ABPNNUYMEHLYNE-PLFUUQOJSA-N 1 3 357.479 3.144 20 0 FGADHO CC(C)Cc1cccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000556871125 505001331 /nfs/dbraw/zinc/00/13/31/505001331.db2.gz SVJCDBPMIAAXFR-GOSISDBHSA-N 1 3 359.558 3.478 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886896 505006881 /nfs/dbraw/zinc/00/68/81/505006881.db2.gz PUONXEXFERFYTF-KSZLIROESA-N 1 3 356.514 3.270 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886896 505006885 /nfs/dbraw/zinc/00/68/85/505006885.db2.gz PUONXEXFERFYTF-KSZLIROESA-N 1 3 356.514 3.270 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000556932252 505021544 /nfs/dbraw/zinc/02/15/44/505021544.db2.gz LUHFDNQQTOHWSV-FXAWDEMLSA-N 1 3 374.529 3.013 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1n1cccn1 ZINC000550326313 505022992 /nfs/dbraw/zinc/02/29/92/505022992.db2.gz YSMXJOOHKIGCPW-MIUGBVLSSA-N 1 3 368.525 3.244 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1n1cccn1 ZINC000550326313 505022995 /nfs/dbraw/zinc/02/29/95/505022995.db2.gz YSMXJOOHKIGCPW-MIUGBVLSSA-N 1 3 368.525 3.244 20 0 FGADHO O=C1CCCN1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203171 505074631 /nfs/dbraw/zinc/07/46/31/505074631.db2.gz FIOSJSZLPYPGGQ-OAQYLSRUSA-N 1 3 355.526 3.259 20 0 FGADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000566102038 505081367 /nfs/dbraw/zinc/08/13/67/505081367.db2.gz HFWUYHCAKLRAFD-HXUWFJFHSA-N 1 3 357.473 3.196 20 0 FGADHO COC1([C@@H](C)NCc2cncc(C[NH2+][C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232842 505082462 /nfs/dbraw/zinc/08/24/62/505082462.db2.gz DGEGMOWYOWDAJR-CALCHBBNSA-N 1 3 361.530 3.176 20 0 FGADHO COC1([C@@H](C)[NH2+]Cc2cncc(CN[C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232842 505082466 /nfs/dbraw/zinc/08/24/66/505082466.db2.gz DGEGMOWYOWDAJR-CALCHBBNSA-N 1 3 361.530 3.176 20 0 FGADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563498972 505157202 /nfs/dbraw/zinc/15/72/02/505157202.db2.gz HKLPNXJZWPFYFM-DOTOQJQBSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@H](NC(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563498972 505157206 /nfs/dbraw/zinc/15/72/06/505157206.db2.gz HKLPNXJZWPFYFM-DOTOQJQBSA-N 1 3 356.514 3.107 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265377 505188472 /nfs/dbraw/zinc/18/84/72/505188472.db2.gz UZLQTEWMQABNCL-NHCUHLMSSA-N 1 3 358.526 3.074 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000554550050 505204673 /nfs/dbraw/zinc/20/46/73/505204673.db2.gz ATFMPNFADVHJFT-FPOVZHCZSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000554550050 505204676 /nfs/dbraw/zinc/20/46/76/505204676.db2.gz ATFMPNFADVHJFT-FPOVZHCZSA-N 1 3 374.573 3.129 20 0 FGADHO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000560920540 505211155 /nfs/dbraw/zinc/21/11/55/505211155.db2.gz SAEAKOXMLNMULQ-HKUYNNGSSA-N 1 3 362.514 3.006 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000563873506 505263899 /nfs/dbraw/zinc/26/38/99/505263899.db2.gz KAPPVRQVDFRVDA-NRFANRHFSA-N 1 3 366.509 3.319 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881275 505265427 /nfs/dbraw/zinc/26/54/27/505265427.db2.gz FDPWHKLUVVXKDJ-KXBFYZLASA-N 1 3 358.511 3.144 20 0 FGADHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881275 505265430 /nfs/dbraw/zinc/26/54/30/505265430.db2.gz FDPWHKLUVVXKDJ-KXBFYZLASA-N 1 3 358.511 3.144 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022176 505288101 /nfs/dbraw/zinc/28/81/01/505288101.db2.gz HWVJMFVFITYAQO-IPJJNNNSSA-N 1 3 369.553 3.087 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000554924698 505300785 /nfs/dbraw/zinc/30/07/85/505300785.db2.gz FGCAXXHYRAAHRR-KRWDZBQOSA-N 1 3 355.530 3.486 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000554924698 505300788 /nfs/dbraw/zinc/30/07/88/505300788.db2.gz FGCAXXHYRAAHRR-KRWDZBQOSA-N 1 3 355.530 3.486 20 0 FGADHO O[C@H](CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789828 505307327 /nfs/dbraw/zinc/30/73/27/505307327.db2.gz SGQSIYIQFFRQAD-KURKYZTESA-N 1 3 356.432 3.388 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN(C)CCN(C)C ZINC000564150379 505338089 /nfs/dbraw/zinc/33/80/89/505338089.db2.gz BCEDRLVCUPBZQZ-HNNXBMFYSA-N 1 3 356.352 3.325 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000564150379 505338091 /nfs/dbraw/zinc/33/80/91/505338091.db2.gz BCEDRLVCUPBZQZ-HNNXBMFYSA-N 1 3 356.352 3.325 20 0 FGADHO CN(CCCN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)Cc1ccco1 ZINC000561422484 505340906 /nfs/dbraw/zinc/34/09/06/505340906.db2.gz KHLOXAMMQMGARZ-UHFFFAOYSA-N 1 3 364.534 3.052 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)N(C)C)cc1 ZINC000558346837 505364914 /nfs/dbraw/zinc/36/49/14/505364914.db2.gz DDKWMWQZWLIKHA-QMMLZNLJSA-N 1 3 372.557 3.120 20 0 FGADHO C[C@H](NC1(CO)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147509 505377021 /nfs/dbraw/zinc/37/70/21/505377021.db2.gz PHOHSQCRIHRYOO-AVRDEDQJSA-N 1 3 350.506 3.017 20 0 FGADHO C[C@H](NC1(CO)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147509 505377023 /nfs/dbraw/zinc/37/70/23/505377023.db2.gz PHOHSQCRIHRYOO-AVRDEDQJSA-N 1 3 350.506 3.017 20 0 FGADHO COc1ccc2cc(CN(C)CC[N@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000564319771 505383164 /nfs/dbraw/zinc/38/31/64/505383164.db2.gz YTNPSEZNDBMEAQ-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO COc1ccc2cc(CN(C)CC[N@@H+](C)C3CCN(C)CC3)ccc2c1 ZINC000564319771 505383168 /nfs/dbraw/zinc/38/31/68/505383168.db2.gz YTNPSEZNDBMEAQ-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552056633 505383836 /nfs/dbraw/zinc/38/38/36/505383836.db2.gz MHSPAPPUPFODCL-AVSSGJIKSA-N 1 3 372.553 3.197 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176108 505385778 /nfs/dbraw/zinc/38/57/78/505385778.db2.gz IJMWOUVKIHILFY-QGWWYQLQSA-N 1 3 363.933 3.022 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000567192256 505390802 /nfs/dbraw/zinc/39/08/02/505390802.db2.gz XKSOVASGRXLOLO-HXUWFJFHSA-N 1 3 362.562 3.081 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)CC1CC1 ZINC000555249326 505391217 /nfs/dbraw/zinc/39/12/17/505391217.db2.gz XHOIRZGJOJFUGV-UHFFFAOYSA-N 1 3 361.574 3.221 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)CC1CC1 ZINC000555249326 505391221 /nfs/dbraw/zinc/39/12/21/505391221.db2.gz XHOIRZGJOJFUGV-UHFFFAOYSA-N 1 3 361.574 3.221 20 0 FGADHO C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000552075333 505391671 /nfs/dbraw/zinc/39/16/71/505391671.db2.gz TUPFEONLXUNFTH-MSOLQXFVSA-N 1 3 360.502 3.164 20 0 FGADHO C([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000552075333 505391677 /nfs/dbraw/zinc/39/16/77/505391677.db2.gz TUPFEONLXUNFTH-MSOLQXFVSA-N 1 3 360.502 3.164 20 0 FGADHO CC[NH+]1CCC(CCNCc2cn3ccc(Br)cc3n2)CC1 ZINC000558485738 505405997 /nfs/dbraw/zinc/40/59/97/505405997.db2.gz IXXNROQVBGEIDX-UHFFFAOYSA-N 1 3 365.319 3.308 20 0 FGADHO Cn1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611850 505475134 /nfs/dbraw/zinc/47/51/34/505475134.db2.gz DTJDUEVUSPYKCT-NRFANRHFSA-N 1 3 353.510 3.044 20 0 FGADHO CNC(=O)C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000561962162 505478564 /nfs/dbraw/zinc/47/85/64/505478564.db2.gz RVNTTZSRZFIWQB-NYVOZVTQSA-N 1 3 365.521 3.364 20 0 FGADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(F)F ZINC000561974718 505482015 /nfs/dbraw/zinc/48/20/15/505482015.db2.gz DFGKNHJYEXLOEQ-INIZCTEOSA-N 1 3 354.441 3.460 20 0 FGADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000564674253 505489255 /nfs/dbraw/zinc/48/92/55/505489255.db2.gz CDUJKVBRPSOCSW-PMACEKPBSA-N 1 3 357.542 3.427 20 0 FGADHO CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000555712742 505497332 /nfs/dbraw/zinc/49/73/32/505497332.db2.gz WTFWFRHWIZGBRV-RTWAWAEBSA-N 1 3 369.553 3.409 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000564793058 505521950 /nfs/dbraw/zinc/52/19/50/505521950.db2.gz GEIRESNIVJEHBA-FXAWDEMLSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564793058 505521953 /nfs/dbraw/zinc/52/19/53/505521953.db2.gz GEIRESNIVJEHBA-FXAWDEMLSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564793058 505521958 /nfs/dbraw/zinc/52/19/58/505521958.db2.gz GEIRESNIVJEHBA-FXAWDEMLSA-N 1 3 360.542 3.106 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120522 505523399 /nfs/dbraw/zinc/52/33/99/505523399.db2.gz MCZPZJNVLUPVEZ-WOJBJXKFSA-N 1 3 369.553 3.374 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000562241063 505549347 /nfs/dbraw/zinc/54/93/47/505549347.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000562241063 505549350 /nfs/dbraw/zinc/54/93/50/505549350.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 1 3 374.573 3.317 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)CC1 ZINC000583033580 506552289 /nfs/dbraw/zinc/55/22/89/506552289.db2.gz HUCITQTVQICCAN-YSIASYRMSA-N 1 3 361.574 3.268 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608650976 506648758 /nfs/dbraw/zinc/64/87/58/506648758.db2.gz VQGCYZVBDSVRCQ-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608650976 506648765 /nfs/dbraw/zinc/64/87/65/506648765.db2.gz VQGCYZVBDSVRCQ-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604080015 506707266 /nfs/dbraw/zinc/70/72/66/506707266.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604080015 506707279 /nfs/dbraw/zinc/70/72/79/506707279.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604173076 506736307 /nfs/dbraw/zinc/73/63/07/506736307.db2.gz HDTLDXDZDUIEDW-NJDAHSKKSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604173076 506736312 /nfs/dbraw/zinc/73/63/12/506736312.db2.gz HDTLDXDZDUIEDW-NJDAHSKKSA-N 1 3 370.541 3.140 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604183026 506740700 /nfs/dbraw/zinc/74/07/00/506740700.db2.gz ULRIXFXQKNVCST-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CC(CN1CCCC2(CCOCC2)C1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000583413903 506764870 /nfs/dbraw/zinc/76/48/70/506764870.db2.gz DKCWFBFARGDDKU-UHFFFAOYSA-N 1 3 364.574 3.408 20 0 FGADHO CC(CN1CCCC2(CCOCC2)C1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000583413903 506764877 /nfs/dbraw/zinc/76/48/77/506764877.db2.gz DKCWFBFARGDDKU-UHFFFAOYSA-N 1 3 364.574 3.408 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000583457717 506787883 /nfs/dbraw/zinc/78/78/83/506787883.db2.gz VGSDRGBSYAVGGP-NRFANRHFSA-N 1 3 369.553 3.199 20 0 FGADHO CC1CCC(N2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000604575715 506879928 /nfs/dbraw/zinc/87/99/28/506879928.db2.gz JQPRFPOJFCYBOL-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO CN1CCC2(CCCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000613190737 506960262 /nfs/dbraw/zinc/96/02/62/506960262.db2.gz JIZYVHLRRIDWFC-NRFANRHFSA-N 1 3 369.553 3.028 20 0 FGADHO CN1CCC2(CCCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000613190737 506960267 /nfs/dbraw/zinc/96/02/67/506960267.db2.gz JIZYVHLRRIDWFC-NRFANRHFSA-N 1 3 369.553 3.028 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000594133710 506965871 /nfs/dbraw/zinc/96/58/71/506965871.db2.gz TXMMZFCVPKFORZ-ZVDOUQERSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000594133710 506965875 /nfs/dbraw/zinc/96/58/75/506965875.db2.gz TXMMZFCVPKFORZ-ZVDOUQERSA-N 1 3 372.557 3.386 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000594290145 507064580 /nfs/dbraw/zinc/06/45/80/507064580.db2.gz ROSYUFYWISPXAT-OAQYLSRUSA-N 1 3 370.541 3.052 20 0 FGADHO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000584248282 507235754 /nfs/dbraw/zinc/23/57/54/507235754.db2.gz JLAHXQPSYQONKD-OXJNMPFZSA-N 1 3 360.473 3.020 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559555 507242176 /nfs/dbraw/zinc/24/21/76/507242176.db2.gz KPLBCFIBXULDJK-IBGZPJMESA-N 1 3 359.514 3.283 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(C)C1CC1 ZINC000591555150 507288957 /nfs/dbraw/zinc/28/89/57/507288957.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(C)C1CC1 ZINC000591555150 507288967 /nfs/dbraw/zinc/28/89/67/507288967.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000598175401 507296137 /nfs/dbraw/zinc/29/61/37/507296137.db2.gz GEIRWNHWLVLMRB-MSOLQXFVSA-N 1 3 360.546 3.145 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000598175401 507296142 /nfs/dbraw/zinc/29/61/42/507296142.db2.gz GEIRWNHWLVLMRB-MSOLQXFVSA-N 1 3 360.546 3.145 20 0 FGADHO COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000591656132 507324508 /nfs/dbraw/zinc/32/45/08/507324508.db2.gz KTELFVMBLCATCA-ZOBFTUDESA-N 1 3 356.510 3.218 20 0 FGADHO O=C(CCNCc1ccccc1C[NH+]1CCCCC1)Nc1cccnc1 ZINC000584715503 507467555 /nfs/dbraw/zinc/46/75/55/507467555.db2.gz VQPLGYWOJNRQAG-UHFFFAOYSA-N 1 3 352.482 3.186 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000606662120 507473400 /nfs/dbraw/zinc/47/34/00/507473400.db2.gz NRENYMFZUIIMRA-WIYYLYMNSA-N 1 3 372.557 3.161 20 0 FGADHO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN2CCCC[C@H]2C)C1 ZINC000595407437 507483140 /nfs/dbraw/zinc/48/31/40/507483140.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 1 3 373.541 3.011 20 0 FGADHO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN2CCCC[C@H]2C)C1 ZINC000595407437 507483145 /nfs/dbraw/zinc/48/31/45/507483145.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 1 3 373.541 3.011 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433645 507655504 /nfs/dbraw/zinc/65/55/04/507655504.db2.gz MZGAJXBIWFOHDG-CVEARBPZSA-N 1 3 350.890 3.338 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)N(C)C ZINC000592450458 507660335 /nfs/dbraw/zinc/66/03/35/507660335.db2.gz BESQEIGCXPDRGI-OPYAIIAOSA-N 1 3 359.558 3.367 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280661 507678083 /nfs/dbraw/zinc/67/80/83/507678083.db2.gz HNSPSHNYQXWURM-RTBURBONSA-N 1 3 357.542 3.408 20 0 FGADHO COC(=O)CCN(CCCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000592493342 507678725 /nfs/dbraw/zinc/67/87/25/507678725.db2.gz NLCJZBKJAYXXJG-UHFFFAOYSA-N 1 3 354.441 3.110 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756391 /nfs/dbraw/zinc/75/63/91/507756391.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 1 3 357.542 3.473 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756397 /nfs/dbraw/zinc/75/63/97/507756397.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 1 3 357.542 3.473 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080203598 700312302 /nfs/dbraw/zinc/31/23/02/700312302.db2.gz FSEUQIGGTWZZPW-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO CC1CCN(CCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182692756 705856893 /nfs/dbraw/zinc/85/68/93/705856893.db2.gz DMZIKVJHMMLMHV-SFHVURJKSA-N 1 3 353.551 3.488 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289605 712690779 /nfs/dbraw/zinc/69/07/79/712690779.db2.gz TZTRQEDUBGROHT-PBHICJAKSA-N 1 3 369.893 3.475 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246596094 713626937 /nfs/dbraw/zinc/62/69/37/713626937.db2.gz GBXKDZWRSGZRPS-QZTJIDSGSA-N 1 3 351.535 3.194 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000301466923 713782115 /nfs/dbraw/zinc/78/21/15/713782115.db2.gz WMDNUBNEZFTKTJ-KURKYZTESA-N 1 3 353.551 3.391 20 0 FGADHO Cc1cc(Br)ccc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000641789437 717930480 /nfs/dbraw/zinc/93/04/80/717930480.db2.gz PQOZAGAQZCUPGV-AWEZNQCLSA-N 1 3 355.320 3.255 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000385405789 713983091 /nfs/dbraw/zinc/98/30/91/713983091.db2.gz AEQMXHISTGOOJN-XLAORIBOSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000385405789 713983092 /nfs/dbraw/zinc/98/30/92/713983092.db2.gz AEQMXHISTGOOJN-XLAORIBOSA-N 1 3 351.535 3.429 20 0 FGADHO Cc1nc([C@@H](C)[NH2+]CCN2CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000390694436 713989004 /nfs/dbraw/zinc/98/90/04/713989004.db2.gz QZLHDZOAXQIWJI-MRXNPFEDSA-N 1 3 358.555 3.228 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414933977 714005801 /nfs/dbraw/zinc/00/58/01/714005801.db2.gz XMARLJIKLVFMDC-MBNYWOFBSA-N 1 3 359.392 3.162 20 0 FGADHO CN1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381098 715322775 /nfs/dbraw/zinc/32/27/75/715322775.db2.gz AQWCUNBGLGCVHI-CYBMUJFWSA-N 1 3 369.303 3.183 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396341 715326783 /nfs/dbraw/zinc/32/67/83/715326783.db2.gz PCZRERHOGGFLFH-CVEARBPZSA-N 1 3 351.922 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396341 715326787 /nfs/dbraw/zinc/32/67/87/715326787.db2.gz PCZRERHOGGFLFH-CVEARBPZSA-N 1 3 351.922 3.390 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000623488081 715346407 /nfs/dbraw/zinc/34/64/07/715346407.db2.gz HIQWQHWJPMFMOJ-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000623488081 715346411 /nfs/dbraw/zinc/34/64/11/715346411.db2.gz HIQWQHWJPMFMOJ-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO CCOc1cc(CNCC2CC[NH+](CC3CC3)CC2)c(F)cc1OC ZINC000623574940 715364986 /nfs/dbraw/zinc/36/49/86/715364986.db2.gz BNOMJKXKEYSFCD-UHFFFAOYSA-N 1 3 350.478 3.445 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119930 715476736 /nfs/dbraw/zinc/47/67/36/715476736.db2.gz MUSDEQNEROJJHX-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119930 715476739 /nfs/dbraw/zinc/47/67/39/715476739.db2.gz MUSDEQNEROJJHX-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119930 715476741 /nfs/dbraw/zinc/47/67/41/715476741.db2.gz MUSDEQNEROJJHX-GJZGRUSLSA-N 1 3 367.921 3.387 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000636429434 717283191 /nfs/dbraw/zinc/28/31/91/717283191.db2.gz HJHPOCAAECIVDH-QGZVFWFLSA-N 1 3 351.579 3.323 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976897 718391335 /nfs/dbraw/zinc/39/13/35/718391335.db2.gz VWOUOOFYKDMNEE-YESZJQIVSA-N 1 3 363.933 3.229 20 0 FGADHO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc(CN2CCCC2)cn1 ZINC001164413695 718881026 /nfs/dbraw/zinc/88/10/26/718881026.db2.gz KQTJTDVINKUTLE-MRXNPFEDSA-N 1 3 368.447 3.331 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657841615 719719344 /nfs/dbraw/zinc/71/93/44/719719344.db2.gz PUXVBUJKWWTGMR-OAQYLSRUSA-N 1 3 361.599 3.460 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657841613 719719589 /nfs/dbraw/zinc/71/95/89/719719589.db2.gz PUXVBUJKWWTGMR-NRFANRHFSA-N 1 3 361.599 3.460 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137544 719762177 /nfs/dbraw/zinc/76/21/77/719762177.db2.gz HJKQZSIHDOJUKT-KDOFPFPSSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137544 719762180 /nfs/dbraw/zinc/76/21/80/719762180.db2.gz HJKQZSIHDOJUKT-KDOFPFPSSA-N 1 3 359.539 3.431 20 0 FGADHO O[C@H]1CCN(C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153290 720385110 /nfs/dbraw/zinc/38/51/10/720385110.db2.gz AFAGXSDQWVOXLO-SFHVURJKSA-N 1 3 356.432 3.169 20 0 FGADHO Clc1ccc2oc(C3CCN(C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662260604 720406364 /nfs/dbraw/zinc/40/63/64/720406364.db2.gz NMGQFOVYKZZLDD-HNNXBMFYSA-N 1 3 361.873 3.182 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c2CNC3)cc1Cl ZINC000662465429 720431302 /nfs/dbraw/zinc/43/13/02/720431302.db2.gz IRSKKBPSVHXRED-UHFFFAOYSA-N 1 3 359.857 3.136 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450624 720516001 /nfs/dbraw/zinc/51/60/01/720516001.db2.gz KGEHIUPHVINNFJ-JKSUJKDBSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450624 720516002 /nfs/dbraw/zinc/51/60/02/720516002.db2.gz KGEHIUPHVINNFJ-JKSUJKDBSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000664314612 720623260 /nfs/dbraw/zinc/62/32/60/720623260.db2.gz NENRXSZBLAGBSU-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000664314612 720623263 /nfs/dbraw/zinc/62/32/63/720623263.db2.gz NENRXSZBLAGBSU-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CC2CCOCC2)cc1F ZINC000665259401 720748213 /nfs/dbraw/zinc/74/82/13/720748213.db2.gz FDBFYULLAUKSQA-FNHZYXHNSA-N 1 3 350.478 3.075 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000668644698 721325551 /nfs/dbraw/zinc/32/55/51/721325551.db2.gz JACRFUPRWHTHDD-OFLPRAFFSA-N 1 3 364.559 3.090 20 0 FGADHO CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634078 /nfs/dbraw/zinc/63/40/78/721634078.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634079 /nfs/dbraw/zinc/63/40/79/721634079.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)CN1CCC([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000701868260 722410339 /nfs/dbraw/zinc/41/03/39/722410339.db2.gz SHMDEDXQECPEQK-UHFFFAOYSA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)C[NH+]1CCC(NCC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000701868260 722410340 /nfs/dbraw/zinc/41/03/40/722410340.db2.gz SHMDEDXQECPEQK-UHFFFAOYSA-N 1 3 351.535 3.096 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571919 /nfs/dbraw/zinc/57/19/19/722571919.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 1 3 353.551 3.440 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571920 /nfs/dbraw/zinc/57/19/20/722571920.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 1 3 353.551 3.440 20 0 FGADHO CCOC(=O)NC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000790748715 723173026 /nfs/dbraw/zinc/17/30/26/723173026.db2.gz VVEHHGJXECOTTJ-UHFFFAOYSA-N 1 3 351.535 3.430 20 0 FGADHO CC(C)(C)OC(=O)NC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000809611505 725252258 /nfs/dbraw/zinc/25/22/58/725252258.db2.gz FKBCUFZMTSPMAK-UHFFFAOYSA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)NC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000809611505 725252259 /nfs/dbraw/zinc/25/22/59/725252259.db2.gz FKBCUFZMTSPMAK-UHFFFAOYSA-N 1 3 351.535 3.286 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717856 726806294 /nfs/dbraw/zinc/80/62/94/726806294.db2.gz LVIPJMJRTLYSHG-RCCFBDPRSA-N 1 3 353.551 3.344 20 0 FGADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819042149 727341243 /nfs/dbraw/zinc/34/12/43/727341243.db2.gz GGHSQBZNRZRMOL-QGZVFWFLSA-N 1 3 355.320 3.337 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133368 727351101 /nfs/dbraw/zinc/35/11/01/727351101.db2.gz OWTYGIPPRQHRKG-MGPQQGTHSA-N 1 3 361.313 3.196 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822819 729670104 /nfs/dbraw/zinc/67/01/04/729670104.db2.gz OYXVWGAHPMPXHS-KRWDZBQOSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822819 729670107 /nfs/dbraw/zinc/67/01/07/729670107.db2.gz OYXVWGAHPMPXHS-KRWDZBQOSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000841079280 730208286 /nfs/dbraw/zinc/20/82/86/730208286.db2.gz KUNGYOUVNUBCLE-SFHVURJKSA-N 1 3 358.917 3.433 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105839 731230062 /nfs/dbraw/zinc/23/00/62/731230062.db2.gz FFAGTPHNAQEIOT-DVOMOZLQSA-N 1 3 355.313 3.448 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508767 731366508 /nfs/dbraw/zinc/36/65/08/731366508.db2.gz OATWJNNVTOKXMM-WMZOPIPTSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508767 731366510 /nfs/dbraw/zinc/36/65/10/731366510.db2.gz OATWJNNVTOKXMM-WMZOPIPTSA-N 1 3 357.885 3.079 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025761 735577891 /nfs/dbraw/zinc/57/78/91/735577891.db2.gz SPABTKCTRWWJGC-QGPMSJSTSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025761 735577894 /nfs/dbraw/zinc/57/78/94/735577894.db2.gz SPABTKCTRWWJGC-QGPMSJSTSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025761 735577899 /nfs/dbraw/zinc/57/78/99/735577899.db2.gz SPABTKCTRWWJGC-QGPMSJSTSA-N 1 3 367.331 3.458 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289498 735746563 /nfs/dbraw/zinc/74/65/63/735746563.db2.gz ISSKEESKRHVWNB-ZIAGYGMSSA-N 1 3 353.304 3.258 20 0 FGADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000877190431 736196492 /nfs/dbraw/zinc/19/64/92/736196492.db2.gz FISZERZLTIYBNU-GOSISDBHSA-N 1 3 359.901 3.169 20 0 FGADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000877190431 736196495 /nfs/dbraw/zinc/19/64/95/736196495.db2.gz FISZERZLTIYBNU-GOSISDBHSA-N 1 3 359.901 3.169 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892465740 740003636 /nfs/dbraw/zinc/00/36/36/740003636.db2.gz GJYCVJFVUDJWTN-MOPGFXCFSA-N 1 3 350.478 3.252 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CNCc2cn3ccnc3s2)cc1 ZINC000892595957 740021298 /nfs/dbraw/zinc/02/12/98/740021298.db2.gz CBEHRXPFCLBZEE-UHFFFAOYSA-N 1 3 358.511 3.406 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903091871 743804027 /nfs/dbraw/zinc/80/40/27/743804027.db2.gz BRQHJJWIYSYPHK-PMACEKPBSA-N 1 3 364.917 3.090 20 0 FGADHO Clc1ccccc1OC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903752625 743881075 /nfs/dbraw/zinc/88/10/75/743881075.db2.gz ORMTWCQIEHWZPQ-KRWDZBQOSA-N 1 3 364.917 3.342 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850616 759558076 /nfs/dbraw/zinc/55/80/76/759558076.db2.gz KLZIKMIUPDWMKI-IAQYHMDHSA-N 1 3 357.281 3.329 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850618 759558358 /nfs/dbraw/zinc/55/83/58/759558358.db2.gz KLZIKMIUPDWMKI-NHYWBVRUSA-N 1 3 357.281 3.329 20 0 FGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1(Br)CC1 ZINC000926693303 759804339 /nfs/dbraw/zinc/80/43/39/759804339.db2.gz MCUJXUZKGYIKJJ-AWEZNQCLSA-N 1 3 352.320 3.199 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995828606 764970758 /nfs/dbraw/zinc/97/07/58/764970758.db2.gz ZPQIBRIKJBGHLA-QGPMSJSTSA-N 1 3 363.933 3.007 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995828606 764970760 /nfs/dbraw/zinc/97/07/60/764970760.db2.gz ZPQIBRIKJBGHLA-QGPMSJSTSA-N 1 3 363.933 3.007 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000997597347 765069494 /nfs/dbraw/zinc/06/94/94/765069494.db2.gz SPILSVIHQOWQJN-ZYSHUDEJSA-N 1 3 363.571 3.195 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000997597347 765069501 /nfs/dbraw/zinc/06/95/01/765069501.db2.gz SPILSVIHQOWQJN-ZYSHUDEJSA-N 1 3 363.571 3.195 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC001018867133 765847355 /nfs/dbraw/zinc/84/73/55/765847355.db2.gz IAZXFWXKZRYCDH-OAUYIBNBSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC001018867133 765847361 /nfs/dbraw/zinc/84/73/61/765847361.db2.gz IAZXFWXKZRYCDH-OAUYIBNBSA-N 1 3 370.324 3.024 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001020174819 765867107 /nfs/dbraw/zinc/86/71/07/765867107.db2.gz SIIVUJINPWDHDS-IUVQAAGXSA-N 1 3 363.933 3.116 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001020174819 765867114 /nfs/dbraw/zinc/86/71/14/765867114.db2.gz SIIVUJINPWDHDS-IUVQAAGXSA-N 1 3 363.933 3.116 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565909 257374828 /nfs/dbraw/zinc/37/48/28/257374828.db2.gz IUSSTQNWTAPHLS-GOTSBHOMSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCNCC1 ZINC000423093114 500340911 /nfs/dbraw/zinc/34/09/11/500340911.db2.gz FUZZLIKQSNCNOC-BBRMVZONSA-N 1 3 372.294 3.344 20 0 FGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CCc1ccc(I)cc1 ZINC000423272593 500360331 /nfs/dbraw/zinc/36/03/31/500360331.db2.gz JWJQFWQFEALQIW-DOMZBBRYSA-N 1 3 360.283 3.185 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](CC(C)(C)C)C3)CC2)CC1 ZINC000579612192 505587282 /nfs/dbraw/zinc/58/72/82/505587282.db2.gz AWOQFWJYGCUBMP-SFHVURJKSA-N 1 3 363.590 3.467 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867313 505599019 /nfs/dbraw/zinc/59/90/19/505599019.db2.gz QURDMYRZGQRZEJ-PKOBYXMFSA-N 1 3 354.498 3.166 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000568188810 505638651 /nfs/dbraw/zinc/63/86/51/505638651.db2.gz SHKMFTYKTIXLIK-HXUWFJFHSA-N 1 3 369.553 3.029 20 0 FGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000076331187 493866782 /nfs/dbraw/zinc/86/67/82/493866782.db2.gz QFCFAHXZOKBSCC-UHFFFAOYSA-N 1 3 371.912 3.455 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)CC(C)C ZINC000081395669 493886562 /nfs/dbraw/zinc/88/65/62/493886562.db2.gz QSUVUDAJMBYKFQ-OAQYLSRUSA-N 1 3 374.573 3.166 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1COc2ccccc2O1 ZINC000568427420 505691588 /nfs/dbraw/zinc/69/15/88/505691588.db2.gz UUMVEMVBBVPROP-HOJAQTOUSA-N 1 3 352.478 3.327 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1COc2ccccc2O1 ZINC000568427420 505691590 /nfs/dbraw/zinc/69/15/90/505691590.db2.gz UUMVEMVBBVPROP-HOJAQTOUSA-N 1 3 352.478 3.327 20 0 FGADHO Cc1ccc([C@@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051758656 493985218 /nfs/dbraw/zinc/98/52/18/493985218.db2.gz PUVWWYDWDDKWTC-GOSISDBHSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000062428511 494012894 /nfs/dbraw/zinc/01/28/94/494012894.db2.gz PYBDBPUYWWEUQR-LJQANCHMSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 ZINC000084018240 494043962 /nfs/dbraw/zinc/04/39/62/494043962.db2.gz PMNHCRPJSQSLNW-QZTJIDSGSA-N 1 3 356.514 3.160 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084435546 494072394 /nfs/dbraw/zinc/07/23/94/494072394.db2.gz GYBNPRLXXOSXLM-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000063710810 494078247 /nfs/dbraw/zinc/07/82/47/494078247.db2.gz ZCIYRSPTBBCSEO-HXUWFJFHSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000063710810 494078250 /nfs/dbraw/zinc/07/82/50/494078250.db2.gz ZCIYRSPTBBCSEO-HXUWFJFHSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104075 /nfs/dbraw/zinc/10/40/75/494104075.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104076 /nfs/dbraw/zinc/10/40/76/494104076.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)CC(C)C ZINC000071925741 494108555 /nfs/dbraw/zinc/10/85/55/494108555.db2.gz AXMCKBQRVLKHQG-LJQANCHMSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387480 494118743 /nfs/dbraw/zinc/11/87/43/494118743.db2.gz STEPAXXIZWRKPP-JKSUJKDBSA-N 1 3 366.575 3.161 20 0 FGADHO CCC1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000053379293 494124087 /nfs/dbraw/zinc/12/40/87/494124087.db2.gz UGFUTDVNOLZOPM-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703154 494256241 /nfs/dbraw/zinc/25/62/41/494256241.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 1 3 372.601 3.429 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703154 494256248 /nfs/dbraw/zinc/25/62/48/494256248.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 1 3 372.601 3.429 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000089214713 494274141 /nfs/dbraw/zinc/27/41/41/494274141.db2.gz HLYWMWVLJGVMJE-LMKMVOKYSA-N 1 3 357.523 3.386 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387995 505718708 /nfs/dbraw/zinc/71/87/08/505718708.db2.gz ZJMSRQUSKPZUSR-TZIWHRDSSA-N 1 3 369.484 3.067 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387995 505718712 /nfs/dbraw/zinc/71/87/12/505718712.db2.gz ZJMSRQUSKPZUSR-TZIWHRDSSA-N 1 3 369.484 3.067 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073653711 494407823 /nfs/dbraw/zinc/40/78/23/494407823.db2.gz CAWAJPFEYCRROI-RYRKJORJSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@@H](NCc1ccc([S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221121 494456380 /nfs/dbraw/zinc/45/63/80/494456380.db2.gz GFWONFOFOREZAQ-PUAOIOHZSA-N 1 3 360.523 3.215 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000079599404 494490445 /nfs/dbraw/zinc/49/04/45/494490445.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000079599404 494490447 /nfs/dbraw/zinc/49/04/47/494490447.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 1 3 352.567 3.011 20 0 FGADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000090964788 494507208 /nfs/dbraw/zinc/50/72/08/494507208.db2.gz UYIOEFIQBLWITP-LPHOPBHVSA-N 1 3 370.493 3.290 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074299756 494513913 /nfs/dbraw/zinc/51/39/13/494513913.db2.gz BDNNZTPQHRGFQA-WMQCIHAUSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000074299756 494513917 /nfs/dbraw/zinc/51/39/17/494513917.db2.gz BDNNZTPQHRGFQA-WMQCIHAUSA-N 1 3 370.541 3.090 20 0 FGADHO C[NH+](C)CCC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000056523567 494519838 /nfs/dbraw/zinc/51/98/38/494519838.db2.gz DYFAYLXOENEERL-NRFANRHFSA-N 1 3 357.542 3.404 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333569 494583817 /nfs/dbraw/zinc/58/38/17/494583817.db2.gz GQUYGKGZSWOFBT-PXNSSMCTSA-N 1 3 361.505 3.234 20 0 FGADHO C[C@@H]1CCC[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000115675696 494591848 /nfs/dbraw/zinc/59/18/48/494591848.db2.gz AHHAMDFQYFFBBA-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000107833766 494608406 /nfs/dbraw/zinc/60/84/06/494608406.db2.gz VADOHPQAZRRXES-UHFFFAOYSA-N 1 3 354.583 3.260 20 0 FGADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)n1 ZINC000067693059 494612862 /nfs/dbraw/zinc/61/28/62/494612862.db2.gz JAPXIVAEISOBTD-HNNXBMFYSA-N 1 3 364.415 3.465 20 0 FGADHO CC[C@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131661622 494691702 /nfs/dbraw/zinc/69/17/02/494691702.db2.gz XGFBWMZDQWNUAP-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092741135 494734385 /nfs/dbraw/zinc/73/43/85/494734385.db2.gz QQRQLSVLICMSAY-GOSISDBHSA-N 1 3 356.489 3.474 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410835 494760566 /nfs/dbraw/zinc/76/05/66/494760566.db2.gz QZYBUAZXRYITQL-CTNGQTDRSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000075410835 494760574 /nfs/dbraw/zinc/76/05/74/494760574.db2.gz QZYBUAZXRYITQL-CTNGQTDRSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](C(=O)NC1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820873 494760835 /nfs/dbraw/zinc/76/08/35/494760835.db2.gz FQFYHDVCCNIQHS-SFHVURJKSA-N 1 3 372.557 3.457 20 0 FGADHO CC[N@H+](CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C(C)C ZINC000116433866 494785222 /nfs/dbraw/zinc/78/52/22/494785222.db2.gz NXEWJYYQVBEHPV-GOSISDBHSA-N 1 3 360.546 3.242 20 0 FGADHO CC[N@@H+](CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C(C)C ZINC000116433866 494785229 /nfs/dbraw/zinc/78/52/29/494785229.db2.gz NXEWJYYQVBEHPV-GOSISDBHSA-N 1 3 360.546 3.242 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(Cn2ccnn2)CC1 ZINC000092098566 494787195 /nfs/dbraw/zinc/78/71/95/494787195.db2.gz HUXCDRVKXVKEGR-UHFFFAOYSA-N 1 3 355.530 3.148 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(Cn2ccnn2)CC1 ZINC000092098566 494787197 /nfs/dbraw/zinc/78/71/97/494787197.db2.gz HUXCDRVKXVKEGR-UHFFFAOYSA-N 1 3 355.530 3.148 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000075538695 494789509 /nfs/dbraw/zinc/78/95/09/494789509.db2.gz ZKKODZTVYJLBIT-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000075538695 494789518 /nfs/dbraw/zinc/78/95/18/494789518.db2.gz ZKKODZTVYJLBIT-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669305 494911400 /nfs/dbraw/zinc/91/14/00/494911400.db2.gz JKLXVLJJXPADQW-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000127232036 494913793 /nfs/dbraw/zinc/91/37/93/494913793.db2.gz ZYTMLKUIRWAZQU-AOIWGVFYSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000127232036 494913796 /nfs/dbraw/zinc/91/37/96/494913796.db2.gz ZYTMLKUIRWAZQU-AOIWGVFYSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000127232036 494913798 /nfs/dbraw/zinc/91/37/98/494913798.db2.gz ZYTMLKUIRWAZQU-AOIWGVFYSA-N 1 3 362.537 3.101 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000109786904 494917618 /nfs/dbraw/zinc/91/76/18/494917618.db2.gz AUJSGNUTRWUWLD-FQEVSTJZSA-N 1 3 356.510 3.386 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000109786904 494917623 /nfs/dbraw/zinc/91/76/23/494917623.db2.gz AUJSGNUTRWUWLD-FQEVSTJZSA-N 1 3 356.510 3.386 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000127359827 494933226 /nfs/dbraw/zinc/93/32/26/494933226.db2.gz DFZAHIBNKNYZHO-OAQYLSRUSA-N 1 3 358.574 3.133 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000122196320 494938791 /nfs/dbraw/zinc/93/87/91/494938791.db2.gz ZVQXKALDTXCWLH-UHFFFAOYSA-N 1 3 352.494 3.405 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000122196320 494938794 /nfs/dbraw/zinc/93/87/94/494938794.db2.gz ZVQXKALDTXCWLH-UHFFFAOYSA-N 1 3 352.494 3.405 20 0 FGADHO Cc1cccc([C@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257577 494948162 /nfs/dbraw/zinc/94/81/62/494948162.db2.gz BRZAGKHCBGBQKW-OAQYLSRUSA-N 1 3 357.542 3.429 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000580417623 505755052 /nfs/dbraw/zinc/75/50/52/505755052.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000580417623 505755056 /nfs/dbraw/zinc/75/50/56/505755056.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000122728405 495022185 /nfs/dbraw/zinc/02/21/85/495022185.db2.gz OCJSKNMOBHIWPN-AWEZNQCLSA-N 1 3 356.507 3.002 20 0 FGADHO Cc1cc2cc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992473 495027667 /nfs/dbraw/zinc/02/76/67/495027667.db2.gz MDNKJWJBBXHELJ-SJORKVTESA-N 1 3 357.498 3.288 20 0 FGADHO Cn1ccnc1COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868408 495050967 /nfs/dbraw/zinc/05/09/67/495050967.db2.gz ZWWCNVCQSQNRAW-UHFFFAOYSA-N 1 3 356.514 3.163 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241145 495052757 /nfs/dbraw/zinc/05/27/57/495052757.db2.gz LSTODCSXCJBFII-NRFANRHFSA-N 1 3 356.510 3.386 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241145 495052759 /nfs/dbraw/zinc/05/27/59/495052759.db2.gz LSTODCSXCJBFII-NRFANRHFSA-N 1 3 356.510 3.386 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144379 495061503 /nfs/dbraw/zinc/06/15/03/495061503.db2.gz FEOKPVRXIBNEMH-GOEBONIOSA-N 1 3 360.420 3.329 20 0 FGADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123341585 495117958 /nfs/dbraw/zinc/11/79/58/495117958.db2.gz SBLOGSKZHZMQQG-MRXNPFEDSA-N 1 3 365.949 3.399 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278598 495129112 /nfs/dbraw/zinc/12/91/12/495129112.db2.gz PMDKQCYMRIWJDD-FQEVSTJZSA-N 1 3 357.542 3.101 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000128720362 495140775 /nfs/dbraw/zinc/14/07/75/495140775.db2.gz IHUJFCVUXYSMFV-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000128720362 495140776 /nfs/dbraw/zinc/14/07/76/495140776.db2.gz IHUJFCVUXYSMFV-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO c1cnn([C@@H]2CCCC[C@@H]2NCCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128945183 495172411 /nfs/dbraw/zinc/17/24/11/495172411.db2.gz NSDLMROVQLUZEE-UJOPUZHASA-N 1 3 370.545 3.317 20 0 FGADHO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCCN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128945183 495172414 /nfs/dbraw/zinc/17/24/14/495172414.db2.gz NSDLMROVQLUZEE-UJOPUZHASA-N 1 3 370.545 3.317 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590878 505767499 /nfs/dbraw/zinc/76/74/99/505767499.db2.gz CVIWOWHGNKHDEY-WFXMLNOXSA-N 1 3 355.526 3.085 20 0 FGADHO COc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000119712970 495224965 /nfs/dbraw/zinc/22/49/65/495224965.db2.gz VWJBWIREGPUBCP-MRXNPFEDSA-N 1 3 354.498 3.217 20 0 FGADHO CCC[NH+]1CCC(N2CCN(CCCc3cccc(OC)c3)CC2)CC1 ZINC000119865301 495257847 /nfs/dbraw/zinc/25/78/47/495257847.db2.gz WDCSKKBZFCDMRE-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000119929238 495271890 /nfs/dbraw/zinc/27/18/90/495271890.db2.gz WMQKVLMFZGBOFN-UHFFFAOYSA-N 1 3 370.925 3.086 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000104392021 495282273 /nfs/dbraw/zinc/28/22/73/495282273.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000104392021 495282277 /nfs/dbraw/zinc/28/22/77/495282277.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CCCC[C@H](CCC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124735740 495334813 /nfs/dbraw/zinc/33/48/13/495334813.db2.gz WHOKNTNGGJPJOA-SFHVURJKSA-N 1 3 366.594 3.451 20 0 FGADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)cc1 ZINC000125097492 495390562 /nfs/dbraw/zinc/39/05/62/495390562.db2.gz NXEHSNNKFZLKHW-QUCCMNQESA-N 1 3 358.530 3.313 20 0 FGADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)cc1 ZINC000125097492 495390565 /nfs/dbraw/zinc/39/05/65/495390565.db2.gz NXEHSNNKFZLKHW-QUCCMNQESA-N 1 3 358.530 3.313 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656829 505783850 /nfs/dbraw/zinc/78/38/50/505783850.db2.gz KLSDZLNQRFASNN-DYESRHJHSA-N 1 3 368.525 3.259 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656829 505783854 /nfs/dbraw/zinc/78/38/54/505783854.db2.gz KLSDZLNQRFASNN-DYESRHJHSA-N 1 3 368.525 3.259 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000125615409 495472084 /nfs/dbraw/zinc/47/20/84/495472084.db2.gz JGLBIVCHKFPWKN-SJORKVTESA-N 1 3 367.559 3.221 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125882916 495513409 /nfs/dbraw/zinc/51/34/09/495513409.db2.gz SZYKVTYWHKUQAT-DLBZAZTESA-N 1 3 367.559 3.219 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107385238 495526738 /nfs/dbraw/zinc/52/67/38/495526738.db2.gz NTJDHXWDANZGTH-QGZVFWFLSA-N 1 3 362.518 3.013 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000182498625 495588016 /nfs/dbraw/zinc/58/80/16/495588016.db2.gz VXOKBOFXQUKFGA-NRFANRHFSA-N 1 3 369.557 3.059 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775863 505791024 /nfs/dbraw/zinc/79/10/24/505791024.db2.gz XNTBBHNBSCYUPP-SFTDATJTSA-N 1 3 357.542 3.057 20 0 FGADHO [O-]c1cc(F)cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000185523055 495609803 /nfs/dbraw/zinc/60/98/03/495609803.db2.gz IHXKDJPISCOOEV-NRFANRHFSA-N 1 3 358.457 3.067 20 0 FGADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000580588761 505792478 /nfs/dbraw/zinc/79/24/78/505792478.db2.gz HHWJXLJUXQHAHE-MYZSEDEFSA-N 1 3 361.574 3.172 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000154437455 495615816 /nfs/dbraw/zinc/61/58/16/495615816.db2.gz QWOXHFPERPRLFG-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681611 495645953 /nfs/dbraw/zinc/64/59/53/495645953.db2.gz SPJOMVMBQOTPEC-QRQLOZEOSA-N 1 3 352.567 3.011 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672744 /nfs/dbraw/zinc/67/27/44/495672744.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672751 /nfs/dbraw/zinc/67/27/51/495672751.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672756 /nfs/dbraw/zinc/67/27/56/495672756.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672762 /nfs/dbraw/zinc/67/27/62/495672762.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 1 3 356.432 3.025 20 0 FGADHO CC[C@H]1[C@H](C)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674082 495674425 /nfs/dbraw/zinc/67/44/25/495674425.db2.gz NHUFSAYUFYLADB-NQIIRXRSSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@@H](C)O1 ZINC000179654494 495678904 /nfs/dbraw/zinc/67/89/04/495678904.db2.gz LUJCDYWDAPXARD-QZTJIDSGSA-N 1 3 368.525 3.398 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000179687005 495690783 /nfs/dbraw/zinc/69/07/83/495690783.db2.gz ISBKHUHWDWPVJO-IEBWSBKVSA-N 1 3 357.542 3.054 20 0 FGADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000176565136 495700763 /nfs/dbraw/zinc/70/07/63/495700763.db2.gz RSYRKSJPQJHOBF-TZIWHRDSSA-N 1 3 372.557 3.165 20 0 FGADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755520 495712818 /nfs/dbraw/zinc/71/28/18/495712818.db2.gz MXLINANZBFGRMP-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755520 495712822 /nfs/dbraw/zinc/71/28/22/495712822.db2.gz MXLINANZBFGRMP-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185755520 495712825 /nfs/dbraw/zinc/71/28/25/495712825.db2.gz MXLINANZBFGRMP-DLBZAZTESA-N 1 3 359.514 3.266 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCC[C@H]1O)C1CCN(C)CC1 ZINC000151075502 495730714 /nfs/dbraw/zinc/73/07/14/495730714.db2.gz IDWVVDGRVDYMIP-FGZHOGPDSA-N 1 3 359.558 3.248 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096141 495736770 /nfs/dbraw/zinc/73/67/70/495736770.db2.gz BZZWEQSMSGWWDU-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096141 495736774 /nfs/dbraw/zinc/73/67/74/495736774.db2.gz BZZWEQSMSGWWDU-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096141 495736781 /nfs/dbraw/zinc/73/67/81/495736781.db2.gz BZZWEQSMSGWWDU-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO Fc1ccccc1SCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957271 495763589 /nfs/dbraw/zinc/76/35/89/495763589.db2.gz XFQYUACLWDRQNR-UHFFFAOYSA-N 1 3 352.519 3.495 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000580637201 505803087 /nfs/dbraw/zinc/80/30/87/505803087.db2.gz YESJCLGWTIPQCB-DENIHFKCSA-N 1 3 370.585 3.276 20 0 FGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112622 495863365 /nfs/dbraw/zinc/86/33/65/495863365.db2.gz RLFAQAZIBYGAQC-LBFURVHYSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000151780286 495945064 /nfs/dbraw/zinc/94/50/64/495945064.db2.gz LUUHUOBMQSSUSZ-IYBDPMFKSA-N 1 3 360.477 3.195 20 0 FGADHO C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785108 505815089 /nfs/dbraw/zinc/81/50/89/505815089.db2.gz AHRMQUFYAFABFC-WGDIFIGCSA-N 1 3 374.550 3.356 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177265599 496000684 /nfs/dbraw/zinc/00/06/84/496000684.db2.gz YDRCBSPKACPQTH-UHFFFAOYSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581484 496002454 /nfs/dbraw/zinc/00/24/54/496002454.db2.gz CLVOWCZRANWIAB-JKSUJKDBSA-N 1 3 355.473 3.273 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584646 496003426 /nfs/dbraw/zinc/00/34/26/496003426.db2.gz YVZONMXUCGNYPA-UONOGXRCSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022605 496025010 /nfs/dbraw/zinc/02/50/10/496025010.db2.gz UYLVNXBWKHSJKS-HOTGVXAUSA-N 1 3 352.469 3.329 20 0 FGADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000180508884 496026353 /nfs/dbraw/zinc/02/63/53/496026353.db2.gz PPNYIPIURRMRKR-UHFFFAOYSA-N 1 3 374.554 3.225 20 0 FGADHO CC(C)[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000155664428 496028806 /nfs/dbraw/zinc/02/88/06/496028806.db2.gz BDFMRPRMBBZZLE-GOSISDBHSA-N 1 3 372.557 3.466 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152243149 496092456 /nfs/dbraw/zinc/09/24/56/496092456.db2.gz PHPLBYHUZRWRIN-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1c(Br)cccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180956963 496218958 /nfs/dbraw/zinc/21/89/58/496218958.db2.gz HMLQQGAWWBPDHU-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO Cc1c(Br)cccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180956963 496218952 /nfs/dbraw/zinc/21/89/52/496218952.db2.gz HMLQQGAWWBPDHU-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO Cc1c(Br)cccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180956963 496218957 /nfs/dbraw/zinc/21/89/57/496218957.db2.gz HMLQQGAWWBPDHU-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000161782558 496237292 /nfs/dbraw/zinc/23/72/92/496237292.db2.gz WOVUDJBGPPPRLZ-KRWDZBQOSA-N 1 3 367.559 3.221 20 0 FGADHO Cc1cnccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000571867204 505832628 /nfs/dbraw/zinc/83/26/28/505832628.db2.gz HMEVGIHBNVOKQQ-UHFFFAOYSA-N 1 3 352.526 3.078 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011198 496251285 /nfs/dbraw/zinc/25/12/85/496251285.db2.gz YKQHWLJTOXRCIN-XLIONFOSSA-N 1 3 372.509 3.328 20 0 FGADHO COc1cc(NC2CC[NH+](CCCN3CCCCC3)CC2)cc(OC)c1 ZINC000161906854 496260894 /nfs/dbraw/zinc/26/08/94/496260894.db2.gz ISGBBIAEUZFTTE-UHFFFAOYSA-N 1 3 361.530 3.456 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000178037849 496299338 /nfs/dbraw/zinc/29/93/38/496299338.db2.gz VOHQKRUNAVKFIL-RCCFBDPRSA-N 1 3 364.530 3.114 20 0 FGADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000175332012 496343238 /nfs/dbraw/zinc/34/32/38/496343238.db2.gz GIMQUETYPIXEHF-UHFFFAOYSA-N 1 3 366.509 3.142 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156848870 496347405 /nfs/dbraw/zinc/34/74/05/496347405.db2.gz UZNIANJRZBINJG-IRLDBZIGSA-N 1 3 357.542 3.266 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000172618188 496365683 /nfs/dbraw/zinc/36/56/83/496365683.db2.gz OLUWNDCSOPUVDF-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000172717936 496400576 /nfs/dbraw/zinc/40/05/76/496400576.db2.gz GMSRMFCDVNOPJB-UHFFFAOYSA-N 1 3 357.473 3.091 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000172749547 496414741 /nfs/dbraw/zinc/41/47/41/496414741.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 1 3 365.521 3.485 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000172749547 496414743 /nfs/dbraw/zinc/41/47/43/496414743.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 1 3 365.521 3.485 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556037 496437377 /nfs/dbraw/zinc/43/73/77/496437377.db2.gz RGZBTMFHGVBJLW-OAQYLSRUSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000163126642 496468660 /nfs/dbraw/zinc/46/86/60/496468660.db2.gz AUDFKFDGRFFGOZ-CVEARBPZSA-N 1 3 373.463 3.162 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750336 505847833 /nfs/dbraw/zinc/84/78/33/505847833.db2.gz OXUKERNCBWLJPD-UEXGIBASSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750336 505847838 /nfs/dbraw/zinc/84/78/38/505847838.db2.gz OXUKERNCBWLJPD-UEXGIBASSA-N 1 3 374.550 3.469 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049800 505849369 /nfs/dbraw/zinc/84/93/69/505849369.db2.gz DNQRHERFAYSNTB-AWEZNQCLSA-N 1 3 354.336 3.126 20 0 FGADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178688783 496542203 /nfs/dbraw/zinc/54/22/03/496542203.db2.gz GXIRGBHHKMWQKD-SFTDATJTSA-N 1 3 357.542 3.107 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000569116536 505857320 /nfs/dbraw/zinc/85/73/20/505857320.db2.gz FYBVFCGIRHSOKF-IBGZPJMESA-N 1 3 363.590 3.467 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C3CC3)cc2)C1 ZINC000185125328 496671825 /nfs/dbraw/zinc/67/18/25/496671825.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C3CC3)cc2)C1 ZINC000185125328 496671831 /nfs/dbraw/zinc/67/18/31/496671831.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176100989 496683601 /nfs/dbraw/zinc/68/36/01/496683601.db2.gz YURUXXHLPVLDOG-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176100989 496683605 /nfs/dbraw/zinc/68/36/05/496683605.db2.gz YURUXXHLPVLDOG-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)Cc3ccccc3)c2)CC1 ZINC000166420836 496686827 /nfs/dbraw/zinc/68/68/27/496686827.db2.gz QODNUGWBXXLKAH-QFIPXVFZSA-N 1 3 365.521 3.105 20 0 FGADHO N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413759 496687062 /nfs/dbraw/zinc/68/70/62/496687062.db2.gz IZOBVWUKYZEEAA-QFIPXVFZSA-N 1 3 365.521 3.249 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139967 496700661 /nfs/dbraw/zinc/70/06/61/496700661.db2.gz PWIINVZTKPXCMX-IBGZPJMESA-N 1 3 371.529 3.356 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139967 496700665 /nfs/dbraw/zinc/70/06/65/496700665.db2.gz PWIINVZTKPXCMX-IBGZPJMESA-N 1 3 371.529 3.356 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182267836 496723654 /nfs/dbraw/zinc/72/36/54/496723654.db2.gz WDEJDLNZLODMRA-ZHRRBRCNSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182267836 496723657 /nfs/dbraw/zinc/72/36/57/496723657.db2.gz WDEJDLNZLODMRA-ZHRRBRCNSA-N 1 3 367.493 3.062 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000273241818 496749868 /nfs/dbraw/zinc/74/98/68/496749868.db2.gz QIAOVNMWZWCOLE-CVEARBPZSA-N 1 3 351.560 3.243 20 0 FGADHO COCCN(C)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000191419228 496756692 /nfs/dbraw/zinc/75/66/92/496756692.db2.gz WNZJCYGVPKATAY-UHFFFAOYSA-N 1 3 374.573 3.252 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492062 496781989 /nfs/dbraw/zinc/78/19/89/496781989.db2.gz ORNKXXLYYYCMJW-UZLBHIALSA-N 1 3 356.514 3.190 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492062 496781992 /nfs/dbraw/zinc/78/19/92/496781992.db2.gz ORNKXXLYYYCMJW-UZLBHIALSA-N 1 3 356.514 3.190 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2C)CC1 ZINC000247112558 496783153 /nfs/dbraw/zinc/78/31/53/496783153.db2.gz YMHGHIUIAAFTKL-IEBWSBKVSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273388565 496791362 /nfs/dbraw/zinc/79/13/62/496791362.db2.gz JLEMJUVXXLTECS-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843049 496801840 /nfs/dbraw/zinc/80/18/40/496801840.db2.gz BAKBMVVAZYJMID-UCNVEGJOSA-N 1 3 354.494 3.371 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843049 496801843 /nfs/dbraw/zinc/80/18/43/496801843.db2.gz BAKBMVVAZYJMID-UCNVEGJOSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000268988771 496843732 /nfs/dbraw/zinc/84/37/32/496843732.db2.gz LWZDRVZLCLLJAQ-GHTZIAJQSA-N 1 3 356.510 3.444 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC[C@H]2C)CC1 ZINC000247491381 496871488 /nfs/dbraw/zinc/87/14/88/496871488.db2.gz KZASVHWUGLJGDY-PKOBYXMFSA-N 1 3 357.542 3.196 20 0 FGADHO CCc1cccc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341830 496894889 /nfs/dbraw/zinc/89/48/89/496894889.db2.gz YUCILEXPLGPCTO-UHFFFAOYSA-N 1 3 358.530 3.238 20 0 FGADHO CCCOc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343035 496896086 /nfs/dbraw/zinc/89/60/86/496896086.db2.gz LFMKVQVOCVHEDM-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000574875320 505873672 /nfs/dbraw/zinc/87/36/72/505873672.db2.gz XUXUYUKMPSXWOA-SJLPKXTDSA-N 1 3 365.949 3.256 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000248184680 496970735 /nfs/dbraw/zinc/97/07/35/496970735.db2.gz XBOBAKABPFSLPY-VYDXJSESSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000248184680 496970745 /nfs/dbraw/zinc/97/07/45/496970745.db2.gz XBOBAKABPFSLPY-VYDXJSESSA-N 1 3 366.347 3.348 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC000248398401 496996312 /nfs/dbraw/zinc/99/63/12/496996312.db2.gz NIJSCPFEHDCYJR-LFUKPOHLSA-N 1 3 371.550 3.111 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000248402665 496996988 /nfs/dbraw/zinc/99/69/88/496996988.db2.gz VSWJQGFSIJAXTN-XZYOPWHXSA-N 1 3 368.521 3.173 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000248402665 496996995 /nfs/dbraw/zinc/99/69/95/496996995.db2.gz VSWJQGFSIJAXTN-XZYOPWHXSA-N 1 3 368.521 3.173 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248408712 496999095 /nfs/dbraw/zinc/99/90/95/496999095.db2.gz VTWQACFITYZNRJ-ILXRZTDVSA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408712 496999099 /nfs/dbraw/zinc/99/90/99/496999099.db2.gz VTWQACFITYZNRJ-ILXRZTDVSA-N 1 3 369.351 3.277 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408712 496999103 /nfs/dbraw/zinc/99/91/03/496999103.db2.gz VTWQACFITYZNRJ-ILXRZTDVSA-N 1 3 369.351 3.277 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000264902134 497008173 /nfs/dbraw/zinc/00/81/73/497008173.db2.gz LPPGIRATZQLYJG-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000270272426 497090970 /nfs/dbraw/zinc/09/09/70/497090970.db2.gz UATBVEMVXNRODN-QFIPXVFZSA-N 1 3 369.553 3.089 20 0 FGADHO C[C@@H](CC[NH2+]C[C@H](O)COCc1ccccc1Cl)N1CCCCC1 ZINC000569233012 505885589 /nfs/dbraw/zinc/88/55/89/505885589.db2.gz RWWZRIDDDVGKAQ-WMZOPIPTSA-N 1 3 354.922 3.072 20 0 FGADHO CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236650279 497126451 /nfs/dbraw/zinc/12/64/51/497126451.db2.gz BOHYBWNPRSJAEJ-NRFANRHFSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192557854 497149128 /nfs/dbraw/zinc/14/91/28/497149128.db2.gz ZRZGFBGCEGBBFY-QGZVFWFLSA-N 1 3 355.526 3.203 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000236895423 497165071 /nfs/dbraw/zinc/16/50/71/497165071.db2.gz JRKPMAMXBSMTOU-IRLDBZIGSA-N 1 3 365.521 3.100 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000236895423 497165077 /nfs/dbraw/zinc/16/50/77/497165077.db2.gz JRKPMAMXBSMTOU-IRLDBZIGSA-N 1 3 365.521 3.100 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000278612408 497167437 /nfs/dbraw/zinc/16/74/37/497167437.db2.gz DALPGHXBJCBSNW-HXUWFJFHSA-N 1 3 372.484 3.471 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000278612408 497167442 /nfs/dbraw/zinc/16/74/42/497167442.db2.gz DALPGHXBJCBSNW-HXUWFJFHSA-N 1 3 372.484 3.471 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC000192638045 497172281 /nfs/dbraw/zinc/17/22/81/497172281.db2.gz GDNRHGVDMUHTOU-FRIKZZABSA-N 1 3 370.585 3.112 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000237009464 497180037 /nfs/dbraw/zinc/18/00/37/497180037.db2.gz OHQBJAXALHPEHR-QGZVFWFLSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249350663 497194094 /nfs/dbraw/zinc/19/40/94/497194094.db2.gz PMVHAKQWOABOCL-BBTUJRGHSA-N 1 3 353.510 3.187 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000192723973 497195763 /nfs/dbraw/zinc/19/57/63/497195763.db2.gz VXUOUOWOPPRDJK-UHFFFAOYSA-N 1 3 367.965 3.457 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000192723973 497195767 /nfs/dbraw/zinc/19/57/67/497195767.db2.gz VXUOUOWOPPRDJK-UHFFFAOYSA-N 1 3 367.965 3.457 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000581014200 505890980 /nfs/dbraw/zinc/89/09/80/505890980.db2.gz RDHCLEFHVFZLAH-MRXNPFEDSA-N 1 3 367.493 3.163 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000278741884 497205692 /nfs/dbraw/zinc/20/56/92/497205692.db2.gz MNKUZULOZGIQOW-LJQANCHMSA-N 1 3 358.457 3.081 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000278741884 497205696 /nfs/dbraw/zinc/20/56/96/497205696.db2.gz MNKUZULOZGIQOW-LJQANCHMSA-N 1 3 358.457 3.081 20 0 FGADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000237326088 497220383 /nfs/dbraw/zinc/22/03/83/497220383.db2.gz KJPSDJSXYGKSMK-HKBOAZHASA-N 1 3 373.541 3.246 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192848446 497229626 /nfs/dbraw/zinc/22/96/26/497229626.db2.gz PRQBQEWWNUODCK-PMACEKPBSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237512642 497249197 /nfs/dbraw/zinc/24/91/97/497249197.db2.gz KCMRRUKLJLUGIA-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO c1ccc(CN2CC[C@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934413 497250893 /nfs/dbraw/zinc/25/08/93/497250893.db2.gz WZNUBUJMYLKXBI-OAQYLSRUSA-N 1 3 365.521 3.135 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000190094059 497354473 /nfs/dbraw/zinc/35/44/73/497354473.db2.gz PXOMCETXMKLCIC-OAQYLSRUSA-N 1 3 372.557 3.341 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000279212708 497369756 /nfs/dbraw/zinc/36/97/56/497369756.db2.gz YIBFROMDEBBCAO-OXJNMPFZSA-N 1 3 352.482 3.040 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255839618 497375934 /nfs/dbraw/zinc/37/59/34/497375934.db2.gz AXENATINCZPQNG-CTNGQTDRSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255839618 497375939 /nfs/dbraw/zinc/37/59/39/497375939.db2.gz AXENATINCZPQNG-CTNGQTDRSA-N 1 3 374.573 3.113 20 0 FGADHO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000193474638 497390187 /nfs/dbraw/zinc/39/01/87/497390187.db2.gz FTQSFCVVYUNHHK-UHFFFAOYSA-N 1 3 364.921 3.262 20 0 FGADHO C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561291 497415880 /nfs/dbraw/zinc/41/58/80/497415880.db2.gz RLGVHIYXIWBGPU-YYWHXJBOSA-N 1 3 351.494 3.103 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193619006 497428993 /nfs/dbraw/zinc/42/89/93/497428993.db2.gz XETPTVDRBPWZFT-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000245590046 497467603 /nfs/dbraw/zinc/46/76/03/497467603.db2.gz AXPLSDPLZIVPIS-OPYAIIAOSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000245590046 497467608 /nfs/dbraw/zinc/46/76/08/497467608.db2.gz AXPLSDPLZIVPIS-OPYAIIAOSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000245590046 497467614 /nfs/dbraw/zinc/46/76/14/497467614.db2.gz AXPLSDPLZIVPIS-OPYAIIAOSA-N 1 3 372.557 3.336 20 0 FGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000245641906 497484263 /nfs/dbraw/zinc/48/42/63/497484263.db2.gz XTSJLGMJHIWRGA-YSFYHYPLSA-N 1 3 354.538 3.488 20 0 FGADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671742 497494658 /nfs/dbraw/zinc/49/46/58/497494658.db2.gz HLPWQAVQHNQLMJ-BJESRGMDSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671742 497494663 /nfs/dbraw/zinc/49/46/63/497494663.db2.gz HLPWQAVQHNQLMJ-BJESRGMDSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671749 497495693 /nfs/dbraw/zinc/49/56/93/497495693.db2.gz HLPWQAVQHNQLMJ-GPJHCHHRSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671749 497495696 /nfs/dbraw/zinc/49/56/96/497495696.db2.gz HLPWQAVQHNQLMJ-GPJHCHHRSA-N 1 3 350.506 3.375 20 0 FGADHO C[C@H](CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668628 497596319 /nfs/dbraw/zinc/59/63/19/497596319.db2.gz QRTPNLOPWCHXCQ-HLAWJBBLSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000194219321 497605467 /nfs/dbraw/zinc/60/54/67/497605467.db2.gz DFAXFPZPNXAMRZ-OAQYLSRUSA-N 1 3 374.573 3.317 20 0 FGADHO CN(C)CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410335 497657493 /nfs/dbraw/zinc/65/74/93/497657493.db2.gz OBMQSMAMANCZSB-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410335 497657495 /nfs/dbraw/zinc/65/74/95/497657495.db2.gz OBMQSMAMANCZSB-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246825634 497814122 /nfs/dbraw/zinc/81/41/22/497814122.db2.gz AEZNJUXZZSOCFY-ZACQAIPSSA-N 1 3 365.493 3.022 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000246860819 497817352 /nfs/dbraw/zinc/81/73/52/497817352.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000246860819 497817353 /nfs/dbraw/zinc/81/73/53/497817353.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 1 3 372.557 3.202 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246873954 497818102 /nfs/dbraw/zinc/81/81/02/497818102.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 1 3 372.553 3.300 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246873954 497818103 /nfs/dbraw/zinc/81/81/03/497818103.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 1 3 372.553 3.300 20 0 FGADHO CC1(C)[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1Oc1ccccc1 ZINC000284535825 497823036 /nfs/dbraw/zinc/82/30/36/497823036.db2.gz XGDJVGDXNZKZLI-DUXKGJEZSA-N 1 3 358.526 3.323 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263224 505928704 /nfs/dbraw/zinc/92/87/04/505928704.db2.gz PRNLOMNKEAJFRX-WOJBJXKFSA-N 1 3 358.530 3.080 20 0 FGADHO COc1ccc(-c2nc(C)c([C@H](C)NCCOCC[NH+](C)C)s2)cc1 ZINC000578425446 505936625 /nfs/dbraw/zinc/93/66/25/505936625.db2.gz YNIBILFUIJQHNJ-AWEZNQCLSA-N 1 3 363.527 3.356 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000569473874 505943995 /nfs/dbraw/zinc/94/39/95/505943995.db2.gz YQULFJAEAKHNON-PMACEKPBSA-N 1 3 361.574 3.220 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000364453128 497964696 /nfs/dbraw/zinc/96/46/96/497964696.db2.gz AXXKBVPRGKZASM-FJTGNWTPSA-N 1 3 368.521 3.352 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)c1ccc2ccccc2c1 ZINC000364453128 497964704 /nfs/dbraw/zinc/96/47/04/497964704.db2.gz AXXKBVPRGKZASM-FJTGNWTPSA-N 1 3 368.521 3.352 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3CN)ccc21 ZINC000575311802 505958320 /nfs/dbraw/zinc/95/83/20/505958320.db2.gz YTMMPQFEVMUZQT-RTWAWAEBSA-N 1 3 364.493 3.326 20 0 FGADHO CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000581318746 505960787 /nfs/dbraw/zinc/96/07/87/505960787.db2.gz GVWKCTRNLWUFAB-OAQYLSRUSA-N 1 3 369.553 3.409 20 0 FGADHO OC1CC[NH+](Cc2ccc(CN[C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281122813 498027011 /nfs/dbraw/zinc/02/70/11/498027011.db2.gz DKAFKGIGBIWTGP-JOCHJYFZSA-N 1 3 369.484 3.418 20 0 FGADHO c1cn(Cc2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000569566678 505966889 /nfs/dbraw/zinc/96/68/89/505966889.db2.gz OSBHZFVKJRGVPU-JTHBVZDNSA-N 1 3 374.488 3.277 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618871 498052887 /nfs/dbraw/zinc/05/28/87/498052887.db2.gz AYOKRAGCTAETBS-IEBWSBKVSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618871 498052894 /nfs/dbraw/zinc/05/28/94/498052894.db2.gz AYOKRAGCTAETBS-IEBWSBKVSA-N 1 3 357.523 3.233 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000581403063 505980697 /nfs/dbraw/zinc/98/06/97/505980697.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000581403063 505980701 /nfs/dbraw/zinc/98/07/01/505980701.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 1 3 366.575 3.159 20 0 FGADHO O=C(NCCCCCCC[NH+]1CCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289375150 498124490 /nfs/dbraw/zinc/12/44/90/498124490.db2.gz ARYBHRGCCYWBDB-VQTJNVASSA-N 1 3 372.509 3.453 20 0 FGADHO CN1CCC(CC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)CC1 ZINC000292739607 498129323 /nfs/dbraw/zinc/12/93/23/498129323.db2.gz DXAAKBOFXYRGQY-UHFFFAOYSA-N 1 3 372.557 3.135 20 0 FGADHO CN1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175551 /nfs/dbraw/zinc/17/55/51/498175551.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 1 3 373.504 3.462 20 0 FGADHO CN1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175558 /nfs/dbraw/zinc/17/55/58/498175558.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 1 3 373.504 3.462 20 0 FGADHO C[C@H](N[C@H]1C[C@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951863 498225187 /nfs/dbraw/zinc/22/51/87/498225187.db2.gz ICQHARGCDCLQIV-CECAUBDESA-N 1 3 354.494 3.499 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638108 498291336 /nfs/dbraw/zinc/29/13/36/498291336.db2.gz NHGWLNIUHQWSKL-BDTNDASRSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638108 498291342 /nfs/dbraw/zinc/29/13/42/498291342.db2.gz NHGWLNIUHQWSKL-BDTNDASRSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638108 498291348 /nfs/dbraw/zinc/29/13/48/498291348.db2.gz NHGWLNIUHQWSKL-BDTNDASRSA-N 1 3 362.521 3.397 20 0 FGADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826220 506025648 /nfs/dbraw/zinc/02/56/48/506025648.db2.gz RJHWYSJMMUMGHR-YJBOKZPZSA-N 1 3 371.447 3.203 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450873 498388947 /nfs/dbraw/zinc/38/89/47/498388947.db2.gz KOTKVCPYEGVEIZ-OXJNMPFZSA-N 1 3 361.505 3.151 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605256 506026955 /nfs/dbraw/zinc/02/69/55/506026955.db2.gz UYWATYNECOZIAH-CTNGQTDRSA-N 1 3 371.550 3.179 20 0 FGADHO FC(F)(F)c1csc(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000297348117 498414303 /nfs/dbraw/zinc/41/43/03/498414303.db2.gz FBUYIPMXPVYFQW-UHFFFAOYSA-N 1 3 356.417 3.358 20 0 FGADHO C[C@@H](CC(=O)N1CCc2c1cccc2CN1CCCC1)C1CC[NH2+]CC1 ZINC000361710018 498422131 /nfs/dbraw/zinc/42/21/31/498422131.db2.gz BOEQPHDEUZTYGU-KRWDZBQOSA-N 1 3 355.526 3.197 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282244650 498436519 /nfs/dbraw/zinc/43/65/19/498436519.db2.gz QCRADLONSHWVBA-NRFANRHFSA-N 1 3 358.526 3.082 20 0 FGADHO O=C(NC1CC([NH+]2CCCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000365429647 498463713 /nfs/dbraw/zinc/46/37/13/498463713.db2.gz OLLSSVVXFRLOCP-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@@H](CCc1ccc(O)cc1)NCc1ccncc1OCCC[NH+](C)C ZINC000290223846 498472001 /nfs/dbraw/zinc/47/20/01/498472001.db2.gz SBKLKMXJNDWYNY-KRWDZBQOSA-N 1 3 357.498 3.229 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860725 498478403 /nfs/dbraw/zinc/47/84/03/498478403.db2.gz YMNASNLYAAFDEK-JFIYKMOQSA-N 1 3 372.513 3.245 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860725 498478412 /nfs/dbraw/zinc/47/84/12/498478412.db2.gz YMNASNLYAAFDEK-JFIYKMOQSA-N 1 3 372.513 3.245 20 0 FGADHO C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(C)Cc1ccccc1 ZINC000569910481 506045028 /nfs/dbraw/zinc/04/50/28/506045028.db2.gz LSWOYGSMWKPRFR-HNNXBMFYSA-N 1 3 370.472 3.113 20 0 FGADHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1SC ZINC000282426990 498506486 /nfs/dbraw/zinc/50/64/86/498506486.db2.gz SWWILQVZILXVQO-HNNXBMFYSA-N 1 3 351.560 3.094 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293936373 498538362 /nfs/dbraw/zinc/53/83/62/498538362.db2.gz YHUUBSCBBJWRFY-AWEZNQCLSA-N 1 3 372.376 3.115 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000569940057 506052901 /nfs/dbraw/zinc/05/29/01/506052901.db2.gz UKQUGYUEYKITQK-CXAGYDPISA-N 1 3 357.420 3.402 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000569940057 506052903 /nfs/dbraw/zinc/05/29/03/506052903.db2.gz UKQUGYUEYKITQK-CXAGYDPISA-N 1 3 357.420 3.402 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590164 498571858 /nfs/dbraw/zinc/57/18/58/498571858.db2.gz ALCKXIZHCXEBEJ-NRFANRHFSA-N 1 3 369.553 3.278 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000363055950 498626049 /nfs/dbraw/zinc/62/60/49/498626049.db2.gz OVQVXNPCUBBIFW-OAQYLSRUSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000363055950 498626059 /nfs/dbraw/zinc/62/60/59/498626059.db2.gz OVQVXNPCUBBIFW-OAQYLSRUSA-N 1 3 365.521 3.043 20 0 FGADHO CN1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967033 498716060 /nfs/dbraw/zinc/71/60/60/498716060.db2.gz GASHZTWOVBCMDM-XLIONFOSSA-N 1 3 363.933 3.181 20 0 FGADHO C[C@H]1CN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091764 506088748 /nfs/dbraw/zinc/08/87/48/506088748.db2.gz IGSSFQUEBHHNSA-UNMCSNQZSA-N 1 3 371.569 3.274 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000581953631 506099957 /nfs/dbraw/zinc/09/99/57/506099957.db2.gz UWPZSMWFOJGELK-DYESRHJHSA-N 1 3 353.510 3.212 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000366260551 498847421 /nfs/dbraw/zinc/84/74/21/498847421.db2.gz RXYGZOYFNZZZPH-SJORKVTESA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366260551 498847428 /nfs/dbraw/zinc/84/74/28/498847428.db2.gz RXYGZOYFNZZZPH-SJORKVTESA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000366260551 498847436 /nfs/dbraw/zinc/84/74/36/498847436.db2.gz RXYGZOYFNZZZPH-SJORKVTESA-N 1 3 361.917 3.161 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000570145951 506101360 /nfs/dbraw/zinc/10/13/60/506101360.db2.gz VDVYRIQFNDFZHQ-KKSFZXQISA-N 1 3 364.493 3.464 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000570145951 506101363 /nfs/dbraw/zinc/10/13/63/506101363.db2.gz VDVYRIQFNDFZHQ-KKSFZXQISA-N 1 3 364.493 3.464 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291269456 498870817 /nfs/dbraw/zinc/87/08/17/498870817.db2.gz XWAAABFJRWYIPY-UHFFFAOYSA-N 1 3 373.463 3.133 20 0 FGADHO CN1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324464 498873997 /nfs/dbraw/zinc/87/39/97/498873997.db2.gz AXZPMEWSEVEKRG-VQIMIIECSA-N 1 3 351.922 3.358 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288164807 498958746 /nfs/dbraw/zinc/95/87/46/498958746.db2.gz OUBCPAUJMVPIES-QKLQHJQFSA-N 1 3 360.546 3.050 20 0 FGADHO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288188211 498963475 /nfs/dbraw/zinc/96/34/75/498963475.db2.gz PXFRACJNOKSGFN-XLIONFOSSA-N 1 3 360.546 3.051 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196577 499066374 /nfs/dbraw/zinc/06/63/74/499066374.db2.gz SESIWDUNDRESSO-GOTSBHOMSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852761 499139107 /nfs/dbraw/zinc/13/91/07/499139107.db2.gz OMYZBEQLDZHEEJ-NBHGPNQESA-N 1 3 372.534 3.434 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)C2CCN(Cc3cccnc3)CC2)c1 ZINC000372853551 499184632 /nfs/dbraw/zinc/18/46/32/499184632.db2.gz DAWZMQBYCPVVRZ-UHFFFAOYSA-N 1 3 366.509 3.302 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374457 499190712 /nfs/dbraw/zinc/19/07/12/499190712.db2.gz IOJOCDKWOCDODN-LEWJYISDSA-N 1 3 355.526 3.127 20 0 FGADHO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1OC ZINC000370163831 499190953 /nfs/dbraw/zinc/19/09/53/499190953.db2.gz UHDQTJDSNZZZAB-UGSOOPFHSA-N 1 3 374.510 3.395 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482839 499204394 /nfs/dbraw/zinc/20/43/94/499204394.db2.gz IKUSIGFWGDJQEA-SFHLNBCPSA-N 1 3 374.550 3.298 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482839 499204397 /nfs/dbraw/zinc/20/43/97/499204397.db2.gz IKUSIGFWGDJQEA-SFHLNBCPSA-N 1 3 374.550 3.298 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000367669789 499223079 /nfs/dbraw/zinc/22/30/79/499223079.db2.gz LXUBGMCAOOLTGP-UHFFFAOYSA-N 1 3 371.447 3.045 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000370608400 499235366 /nfs/dbraw/zinc/23/53/66/499235366.db2.gz LJEPSQGAGFUQEI-YPIGPJMWSA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000370608400 499235367 /nfs/dbraw/zinc/23/53/67/499235367.db2.gz LJEPSQGAGFUQEI-YPIGPJMWSA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000370608400 499235369 /nfs/dbraw/zinc/23/53/69/499235369.db2.gz LJEPSQGAGFUQEI-YPIGPJMWSA-N 1 3 371.569 3.303 20 0 FGADHO Cc1nnc(N2CCC([NH2+][C@H](C)[C@H]3CCCN(C4CCC4)C3)CC2)s1 ZINC000367832130 499236777 /nfs/dbraw/zinc/23/67/77/499236777.db2.gz PFHHLFYCZYNQFA-ZBFHGGJFSA-N 1 3 363.575 3.058 20 0 FGADHO c1cc(CN2CCC[C@]23CCOC3)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725304 499248306 /nfs/dbraw/zinc/24/83/06/499248306.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1cc(CN2CCC[C@]23CCOC3)cc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725304 499248308 /nfs/dbraw/zinc/24/83/08/499248308.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1cc(CN2CCC[C@@]23CCOC3)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000370725304 499248309 /nfs/dbraw/zinc/24/83/09/499248309.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1cc(CN2CCC[C@@]23CCOC3)cc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000370725304 499248311 /nfs/dbraw/zinc/24/83/11/499248311.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772936 499253207 /nfs/dbraw/zinc/25/32/07/499253207.db2.gz MSBFXYJGXAIOMJ-QRTARXTBSA-N 1 3 371.447 3.060 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026069 499256942 /nfs/dbraw/zinc/25/69/42/499256942.db2.gz ZVLZFUIPBGNNQK-HAFPXEGZSA-N 1 3 368.525 3.425 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155537 499269921 /nfs/dbraw/zinc/26/99/21/499269921.db2.gz OTDVJDBLBQJYOG-UYAOXDASSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155537 499269922 /nfs/dbraw/zinc/26/99/22/499269922.db2.gz OTDVJDBLBQJYOG-UYAOXDASSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007213 499279856 /nfs/dbraw/zinc/27/98/56/499279856.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007213 499279857 /nfs/dbraw/zinc/27/98/57/499279857.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 1 3 372.557 3.021 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(Sc4ccccn4)o3)C2)CC1 ZINC000368347035 499287497 /nfs/dbraw/zinc/28/74/97/499287497.db2.gz GRESZEWGGHBTBB-INIZCTEOSA-N 1 3 372.538 3.084 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000368624722 499314726 /nfs/dbraw/zinc/31/47/26/499314726.db2.gz OJPCIVGMWALDIM-SFHVURJKSA-N 1 3 370.493 3.411 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000371410979 499322838 /nfs/dbraw/zinc/32/28/38/499322838.db2.gz KNOYZTDFCMWKLS-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CN(CCOc1ccccc1F)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378431777 499516276 /nfs/dbraw/zinc/51/62/76/499516276.db2.gz OPNOCQNOMSHLTJ-UHFFFAOYSA-N 1 3 357.473 3.238 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449306 499520460 /nfs/dbraw/zinc/52/04/60/499520460.db2.gz PGKNQBZOPRRVFN-XPWALMASSA-N 1 3 368.521 3.237 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449306 499520462 /nfs/dbraw/zinc/52/04/62/499520462.db2.gz PGKNQBZOPRRVFN-XPWALMASSA-N 1 3 368.521 3.237 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632561 499542212 /nfs/dbraw/zinc/54/22/12/499542212.db2.gz SQKUUAPJMAPZHL-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632561 499542213 /nfs/dbraw/zinc/54/22/13/499542213.db2.gz SQKUUAPJMAPZHL-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO COc1cc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cc(OC)c1O ZINC000379623251 499542414 /nfs/dbraw/zinc/54/24/14/499542414.db2.gz IAKOYBRVYBNUKK-MRXNPFEDSA-N 1 3 358.482 3.410 20 0 FGADHO C[C@H](Cc1ccccc1F)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397529915 499564412 /nfs/dbraw/zinc/56/44/12/499564412.db2.gz YUQIPNNDHGILNU-GOSISDBHSA-N 1 3 356.485 3.373 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005779 499565385 /nfs/dbraw/zinc/56/53/85/499565385.db2.gz QFCUZXPTFDEJTG-QIJUGHKUSA-N 1 3 365.521 3.493 20 0 FGADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376395015 499605381 /nfs/dbraw/zinc/60/53/81/499605381.db2.gz JKORDMGPAPICAG-OKCRPCIYSA-N 1 3 373.516 3.121 20 0 FGADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376395015 499605383 /nfs/dbraw/zinc/60/53/83/499605383.db2.gz JKORDMGPAPICAG-OKCRPCIYSA-N 1 3 373.516 3.121 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCN2CCCCC2)CC1 ZINC000410336307 499655626 /nfs/dbraw/zinc/65/56/26/499655626.db2.gz BGRKEMDLHVRSFL-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CN1CCN([C@H]2CCCC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674386 499718413 /nfs/dbraw/zinc/71/84/13/499718413.db2.gz NJPXJNHKCRSKIO-IBGZPJMESA-N 1 3 372.582 3.200 20 0 FGADHO CN1CCN([C@H]2CCCC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674386 499718414 /nfs/dbraw/zinc/71/84/14/499718414.db2.gz NJPXJNHKCRSKIO-IBGZPJMESA-N 1 3 372.582 3.200 20 0 FGADHO CN1CC[NH+]([C@H]2CCCCN(Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674386 499718415 /nfs/dbraw/zinc/71/84/15/499718415.db2.gz NJPXJNHKCRSKIO-IBGZPJMESA-N 1 3 372.582 3.200 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346560 499728230 /nfs/dbraw/zinc/72/82/30/499728230.db2.gz ISVMQSPRRIBSBN-HXUWFJFHSA-N 1 3 363.521 3.492 20 0 FGADHO c1cn(CC2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)nn1 ZINC000411401616 499734954 /nfs/dbraw/zinc/73/49/54/499734954.db2.gz NLAZOJFADLWZBI-UHFFFAOYSA-N 1 3 353.514 3.176 20 0 FGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415023 499737305 /nfs/dbraw/zinc/73/73/05/499737305.db2.gz MVJSFGRJQSBJFB-AVRDEDQJSA-N 1 3 352.526 3.001 20 0 FGADHO Cc1ccc2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415023 499737307 /nfs/dbraw/zinc/73/73/07/499737307.db2.gz MVJSFGRJQSBJFB-AVRDEDQJSA-N 1 3 352.526 3.001 20 0 FGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740605 /nfs/dbraw/zinc/74/06/05/499740605.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740607 /nfs/dbraw/zinc/74/06/07/499740607.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414184296 499766630 /nfs/dbraw/zinc/76/66/30/499766630.db2.gz FPTNOTRHNVZPPX-FCHUYYIVSA-N 1 3 371.569 3.257 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc2ccccc21 ZINC000414195237 499767700 /nfs/dbraw/zinc/76/77/00/499767700.db2.gz NWAPGIQTGATIAB-LJQANCHMSA-N 1 3 367.537 3.287 20 0 FGADHO CC(C)[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000414302240 499775703 /nfs/dbraw/zinc/77/57/03/499775703.db2.gz KHYCRAQYMOIFBH-NRFANRHFSA-N 1 3 353.510 3.395 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000414307998 499776046 /nfs/dbraw/zinc/77/60/46/499776046.db2.gz PUVZPXNVQARNSU-GOSISDBHSA-N 1 3 366.505 3.395 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340315 499779219 /nfs/dbraw/zinc/77/92/19/499779219.db2.gz GVONVCFCXICUTL-QFUCXCTJSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340315 499779220 /nfs/dbraw/zinc/77/92/20/499779220.db2.gz GVONVCFCXICUTL-QFUCXCTJSA-N 1 3 363.521 3.131 20 0 FGADHO C[C@@H](c1ccccc1)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756638 499787128 /nfs/dbraw/zinc/78/71/28/499787128.db2.gz KECQLHCGISNHHG-AVRDEDQJSA-N 1 3 365.521 3.420 20 0 FGADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414550715 499807395 /nfs/dbraw/zinc/80/73/95/499807395.db2.gz DOOMVJAZDLAWMW-UHFFFAOYSA-N 1 3 357.523 3.044 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000414793927 499831832 /nfs/dbraw/zinc/83/18/32/499831832.db2.gz UVKMDPBNXYICHU-GOSISDBHSA-N 1 3 370.497 3.229 20 0 FGADHO c1ccc(CC(Cc2ccccc2)C[N@@H+]2CC[C@@H](N3CCNCC3)C2)cc1 ZINC000414794520 499831890 /nfs/dbraw/zinc/83/18/90/499831890.db2.gz UBKZWYTUZCBZAE-XMMPIXPASA-N 1 3 363.549 3.068 20 0 FGADHO c1ccc(CC(Cc2ccccc2)C[N@H+]2CC[C@@H](N3CCNCC3)C2)cc1 ZINC000414794520 499831893 /nfs/dbraw/zinc/83/18/93/499831893.db2.gz UBKZWYTUZCBZAE-XMMPIXPASA-N 1 3 363.549 3.068 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414798457 499832676 /nfs/dbraw/zinc/83/26/76/499832676.db2.gz JDUJQSDXVGOVNX-IIDMSEBBSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414798457 499832678 /nfs/dbraw/zinc/83/26/78/499832678.db2.gz JDUJQSDXVGOVNX-IIDMSEBBSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CC1 ZINC000414805878 499833256 /nfs/dbraw/zinc/83/32/56/499833256.db2.gz PXNSVCKJOHAIIP-XPTSAGLGSA-N 1 3 363.811 3.403 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414830638 499835269 /nfs/dbraw/zinc/83/52/69/499835269.db2.gz CEUZUIUASHCUEP-KRWDZBQOSA-N 1 3 355.482 3.149 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853043 499838202 /nfs/dbraw/zinc/83/82/02/499838202.db2.gz KNMSVPQANPTALI-INMHGKMJSA-N 1 3 351.922 3.055 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886221 499841487 /nfs/dbraw/zinc/84/14/87/499841487.db2.gz VPXHKGHEUUGAGM-VABKMULXSA-N 1 3 364.537 3.062 20 0 FGADHO Brc1ccccc1CN1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414912009 499843849 /nfs/dbraw/zinc/84/38/49/499843849.db2.gz XLXWBOAGKQDGRD-MRXNPFEDSA-N 1 3 366.347 3.145 20 0 FGADHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCN1 ZINC000414940940 499847063 /nfs/dbraw/zinc/84/70/63/499847063.db2.gz BZYWEZCPDVCIHQ-WMLDXEAASA-N 1 3 366.347 3.144 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415063163 499860034 /nfs/dbraw/zinc/86/00/34/499860034.db2.gz GXETYASQTKCRPW-MLGOLLRUSA-N 1 3 353.894 3.173 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415065887 499860186 /nfs/dbraw/zinc/86/01/86/499860186.db2.gz NXHJKXNDLIERJS-RDTXWAMCSA-N 1 3 351.922 3.184 20 0 FGADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103600 499864037 /nfs/dbraw/zinc/86/40/37/499864037.db2.gz KPKHXLGIEAAXRD-IOMROCGXSA-N 1 3 363.496 3.440 20 0 FGADHO CCCCCOc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103249 499864125 /nfs/dbraw/zinc/86/41/25/499864125.db2.gz CYPYGCLFVUIRFV-IBGZPJMESA-N 1 3 357.502 3.143 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124688 499866814 /nfs/dbraw/zinc/86/68/14/499866814.db2.gz NAQUIXNLIAWIRH-UTKZUKDTSA-N 1 3 361.505 3.144 20 0 FGADHO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312424 499885688 /nfs/dbraw/zinc/88/56/88/499885688.db2.gz SPYQTPUOYUDOEA-SFHVURJKSA-N 1 3 362.518 3.046 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886438 499924445 /nfs/dbraw/zinc/92/44/45/499924445.db2.gz UXWLBMUGRYFCOJ-QZTJIDSGSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886438 499924447 /nfs/dbraw/zinc/92/44/47/499924447.db2.gz UXWLBMUGRYFCOJ-QZTJIDSGSA-N 1 3 370.541 3.451 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000415922338 499928927 /nfs/dbraw/zinc/92/89/27/499928927.db2.gz SHPSVKBQFFUTDF-LAUBAEHRSA-N 1 3 366.509 3.438 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415929427 499929651 /nfs/dbraw/zinc/92/96/51/499929651.db2.gz HAXJCBPXKRZPHM-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000415942214 499931145 /nfs/dbraw/zinc/93/11/45/499931145.db2.gz IRMNUNWPLVADFA-JXFKEZNVSA-N 1 3 352.482 3.191 20 0 FGADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CCCCC1 ZINC000415950016 499932473 /nfs/dbraw/zinc/93/24/73/499932473.db2.gz CRWNBNGEOCGOND-UHFFFAOYSA-N 1 3 362.493 3.248 20 0 FGADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CCCCC1 ZINC000415950016 499932475 /nfs/dbraw/zinc/93/24/75/499932475.db2.gz CRWNBNGEOCGOND-UHFFFAOYSA-N 1 3 362.493 3.248 20 0 FGADHO CSc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415959496 499933644 /nfs/dbraw/zinc/93/36/44/499933644.db2.gz OWKNDAFJCDCMGW-SFHVURJKSA-N 1 3 358.511 3.292 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415960919 499933974 /nfs/dbraw/zinc/93/39/74/499933974.db2.gz CNUKUPZGGQMBFZ-MLGOLLRUSA-N 1 3 370.419 3.255 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415963576 499934197 /nfs/dbraw/zinc/93/41/97/499934197.db2.gz VUQXXNQDAOPUJZ-ZDUSSCGKSA-N 1 3 372.435 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415963576 499934199 /nfs/dbraw/zinc/93/41/99/499934199.db2.gz VUQXXNQDAOPUJZ-ZDUSSCGKSA-N 1 3 372.435 3.360 20 0 FGADHO CC(C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000415974463 499935974 /nfs/dbraw/zinc/93/59/74/499935974.db2.gz LKZNWPOUGRBIAT-NRFANRHFSA-N 1 3 366.509 3.350 20 0 FGADHO C[N@H+](CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415975646 499936349 /nfs/dbraw/zinc/93/63/49/499936349.db2.gz UFYOBHAHOAJDAC-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO C[N@@H+](CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415975646 499936350 /nfs/dbraw/zinc/93/63/50/499936350.db2.gz UFYOBHAHOAJDAC-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000429044343 499993851 /nfs/dbraw/zinc/99/38/51/499993851.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 1 3 358.526 3.410 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000429044343 499993855 /nfs/dbraw/zinc/99/38/55/499993855.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 1 3 358.526 3.410 20 0 FGADHO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137838 500010442 /nfs/dbraw/zinc/01/04/42/500010442.db2.gz UIKWKYOXEKYTTK-FGTMMUONSA-N 1 3 350.890 3.013 20 0 FGADHO COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137838 500010447 /nfs/dbraw/zinc/01/04/47/500010447.db2.gz UIKWKYOXEKYTTK-FGTMMUONSA-N 1 3 350.890 3.013 20 0 FGADHO C[C@@H](NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000573317466 506170747 /nfs/dbraw/zinc/17/07/47/506170747.db2.gz JHOSTRWFULOAOE-DAYGRLMNSA-N 1 3 356.938 3.344 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417294762 500031572 /nfs/dbraw/zinc/03/15/72/500031572.db2.gz ITHQHWKMNLYROS-BBRMVZONSA-N 1 3 374.451 3.125 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000417311986 500036178 /nfs/dbraw/zinc/03/61/78/500036178.db2.gz MWSYFIGNXVWXKU-OXQOHEQNSA-N 1 3 354.498 3.117 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000417311987 500036659 /nfs/dbraw/zinc/03/66/59/500036659.db2.gz MWSYFIGNXVWXKU-UZLBHIALSA-N 1 3 354.498 3.117 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435736 500105820 /nfs/dbraw/zinc/10/58/20/500105820.db2.gz UHLJQZIJGVEUAZ-AZUAARDMSA-N 1 3 368.525 3.370 20 0 FGADHO CN(C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808918 500126147 /nfs/dbraw/zinc/12/61/47/500126147.db2.gz PGELXDPLCUDFNL-VQTJNVASSA-N 1 3 354.498 3.069 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH2+]CC1 ZINC000416836618 500134031 /nfs/dbraw/zinc/13/40/31/500134031.db2.gz GTQGTHZXABRINM-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000576524637 506178435 /nfs/dbraw/zinc/17/84/35/506178435.db2.gz RVJTWTFYSZWRKT-IBGZPJMESA-N 1 3 373.928 3.477 20 0 FGADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000416909348 500153087 /nfs/dbraw/zinc/15/30/87/500153087.db2.gz XUWYACBMPJHXCC-HXUWFJFHSA-N 1 3 358.530 3.004 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[NH+](CC)CC ZINC000573363991 506179753 /nfs/dbraw/zinc/17/97/53/506179753.db2.gz KIVSQPLILLWELL-FQEVSTJZSA-N 1 3 360.546 3.196 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccsc1 ZINC000417002679 500181030 /nfs/dbraw/zinc/18/10/30/500181030.db2.gz GFNFVYDDXJLAFJ-IBGZPJMESA-N 1 3 374.554 3.302 20 0 FGADHO COc1ccccc1-n1nccc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000430020602 500182115 /nfs/dbraw/zinc/18/21/15/500182115.db2.gz HKYRVAJQNFLLRV-SFHVURJKSA-N 1 3 356.514 3.483 20 0 FGADHO COc1ccccc1-n1nccc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000430020602 500182117 /nfs/dbraw/zinc/18/21/17/500182117.db2.gz HKYRVAJQNFLLRV-SFHVURJKSA-N 1 3 356.514 3.483 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892197 500192846 /nfs/dbraw/zinc/19/28/46/500192846.db2.gz RFWCSZPPHLSGPR-XLIONFOSSA-N 1 3 360.546 3.087 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892197 500192849 /nfs/dbraw/zinc/19/28/49/500192849.db2.gz RFWCSZPPHLSGPR-XLIONFOSSA-N 1 3 360.546 3.087 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430116902 500195478 /nfs/dbraw/zinc/19/54/78/500195478.db2.gz DMWBGQYKLSZTSM-JOCHJYFZSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430116902 500195479 /nfs/dbraw/zinc/19/54/79/500195479.db2.gz DMWBGQYKLSZTSM-JOCHJYFZSA-N 1 3 371.569 3.467 20 0 FGADHO C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418160226 500239545 /nfs/dbraw/zinc/23/95/45/500239545.db2.gz BDKIRJMKHSHQGR-RXVVDRJESA-N 1 3 368.525 3.238 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)N(C)C ZINC000418175995 500242710 /nfs/dbraw/zinc/24/27/10/500242710.db2.gz GNSKZJUJONQUIM-WIYYLYMNSA-N 1 3 368.525 3.157 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177566 500243161 /nfs/dbraw/zinc/24/31/61/500243161.db2.gz HUXIRGXIDDBEIC-RLFYNMQTSA-N 1 3 366.937 3.102 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179576 500243456 /nfs/dbraw/zinc/24/34/56/500243456.db2.gz JNJGACBGSKTACB-CRAIPNDOSA-N 1 3 366.937 3.022 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)N(C)C ZINC000418189800 500245838 /nfs/dbraw/zinc/24/58/38/500245838.db2.gz VSUILIYSEXQCRO-KCLUMXDGSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191375 500246344 /nfs/dbraw/zinc/24/63/44/500246344.db2.gz KPLMVJQKGVKEGA-FVJLSDCUSA-N 1 3 366.509 3.169 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192321 500246939 /nfs/dbraw/zinc/24/69/39/500246939.db2.gz YKJIOCBNUKERQJ-FHLIZLRMSA-N 1 3 366.937 3.020 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(CC)CC)cc1 ZINC000418215763 500250611 /nfs/dbraw/zinc/25/06/11/500250611.db2.gz NIEOAVBJDVAMAI-IRLDBZIGSA-N 1 3 372.557 3.027 20 0 FGADHO [NH3+]CCCOC1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000430593366 500259975 /nfs/dbraw/zinc/25/99/75/500259975.db2.gz IVQUFKGALORIOD-UHFFFAOYSA-N 1 3 364.493 3.331 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298925 500260115 /nfs/dbraw/zinc/26/01/15/500260115.db2.gz RBAFAVMKPVIZPG-AZUAARDMSA-N 1 3 372.557 3.343 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337981 500264864 /nfs/dbraw/zinc/26/48/64/500264864.db2.gz YQOWSZSZBOXFGQ-LSTHTHJFSA-N 1 3 360.546 3.324 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337981 500264866 /nfs/dbraw/zinc/26/48/66/500264866.db2.gz YQOWSZSZBOXFGQ-LSTHTHJFSA-N 1 3 360.546 3.324 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000418343362 500265106 /nfs/dbraw/zinc/26/51/06/500265106.db2.gz FQFBLRQXUVAWPE-OAQYLSRUSA-N 1 3 372.557 3.327 20 0 FGADHO CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418343889 500265491 /nfs/dbraw/zinc/26/54/91/500265491.db2.gz RKKFDYPMJTXRBP-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352003 500267029 /nfs/dbraw/zinc/26/70/29/500267029.db2.gz MBNMBNHGHBJAIF-PXNSSMCTSA-N 1 3 360.546 3.183 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352003 500267031 /nfs/dbraw/zinc/26/70/31/500267031.db2.gz MBNMBNHGHBJAIF-PXNSSMCTSA-N 1 3 360.546 3.183 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352612 500267206 /nfs/dbraw/zinc/26/72/06/500267206.db2.gz MUNSWDDDQYWDCW-SFTDATJTSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418409476 500273420 /nfs/dbraw/zinc/27/34/20/500273420.db2.gz AIESOVRXSNWKAR-DFQSSKMNSA-N 1 3 360.546 3.054 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418453770 500278605 /nfs/dbraw/zinc/27/86/05/500278605.db2.gz ZLSSVTGNOLYCBT-MISYRCLQSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000418488876 500282842 /nfs/dbraw/zinc/28/28/42/500282842.db2.gz KYIREYFDWVHAGK-UWJYYQICSA-N 1 3 366.509 3.122 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714062 500288810 /nfs/dbraw/zinc/28/88/10/500288810.db2.gz QNVJUEXPQHSYRE-TUNNFDKTSA-N 1 3 369.484 3.274 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NCCSCCOc1cccc(Br)c1 ZINC000422716903 500289579 /nfs/dbraw/zinc/28/95/79/500289579.db2.gz UVHUDQOFQRGXSI-STQMWFEESA-N 1 3 361.349 3.277 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727630 500291001 /nfs/dbraw/zinc/29/10/01/500291001.db2.gz HQPYJPOMQZAHJQ-JQHSSLGASA-N 1 3 355.448 3.387 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727630 500291003 /nfs/dbraw/zinc/29/10/03/500291003.db2.gz HQPYJPOMQZAHJQ-JQHSSLGASA-N 1 3 355.448 3.387 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422742870 500292900 /nfs/dbraw/zinc/29/29/00/500292900.db2.gz SKZZWDLPEIQQAC-XKQJLSEDSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cccc(Br)c2)CCC1 ZINC000422742870 500292903 /nfs/dbraw/zinc/29/29/03/500292903.db2.gz SKZZWDLPEIQQAC-XKQJLSEDSA-N 1 3 367.331 3.213 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N(C)C ZINC000422743660 500293029 /nfs/dbraw/zinc/29/30/29/500293029.db2.gz IVWUZIKTIQKKRH-GIVPXCGWSA-N 1 3 353.510 3.381 20 0 FGADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422743345 500293090 /nfs/dbraw/zinc/29/30/90/500293090.db2.gz UBPAPGRENJYHNS-DFQSSKMNSA-N 1 3 358.526 3.254 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422750887 500294019 /nfs/dbraw/zinc/29/40/19/500294019.db2.gz AOGUICBBASMHQN-OAHLLOKOSA-N 1 3 357.473 3.387 20 0 FGADHO COc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000430850358 500296508 /nfs/dbraw/zinc/29/65/08/500296508.db2.gz KJPSDJSXYGKSMK-HBMCJLEFSA-N 1 3 373.541 3.246 20 0 FGADHO CN(C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000418622442 500297492 /nfs/dbraw/zinc/29/74/92/500297492.db2.gz VLHJRTFRINGYOU-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000422808081 500300461 /nfs/dbraw/zinc/30/04/61/500300461.db2.gz ABJAEXFVHKRDJT-CQSZACIVSA-N 1 3 355.482 3.248 20 0 FGADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCc2ccccc2C1 ZINC000422807534 500300728 /nfs/dbraw/zinc/30/07/28/500300728.db2.gz MNOXLYJDFRDMIX-KKSFZXQISA-N 1 3 352.526 3.336 20 0 FGADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422816658 500301975 /nfs/dbraw/zinc/30/19/75/500301975.db2.gz FQFYNOXHSGPYIE-NJDAHSKKSA-N 1 3 352.526 3.374 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418669841 500305118 /nfs/dbraw/zinc/30/51/18/500305118.db2.gz JZQSUXFIOWNEPB-OAQYLSRUSA-N 1 3 368.525 3.240 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905334 500314843 /nfs/dbraw/zinc/31/48/43/500314843.db2.gz HVLBOFRABVMDAJ-KNTRFNDTSA-N 1 3 365.949 3.036 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905334 500314845 /nfs/dbraw/zinc/31/48/45/500314845.db2.gz HVLBOFRABVMDAJ-KNTRFNDTSA-N 1 3 365.949 3.036 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920840 500317209 /nfs/dbraw/zinc/31/72/09/500317209.db2.gz MXDAEABLMNUKMB-ZWNOBZJWSA-N 1 3 351.800 3.110 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418750129 500318023 /nfs/dbraw/zinc/31/80/23/500318023.db2.gz NNZRQVQOLIBXMN-HLAWJBBLSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927670 500318340 /nfs/dbraw/zinc/31/83/40/500318340.db2.gz ZNLFWXXMPWSSDK-WMZHIEFXSA-N 1 3 366.553 3.195 20 0 FGADHO C[C@H](NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949889 500322719 /nfs/dbraw/zinc/32/27/19/500322719.db2.gz UWGCSIAVELIDRO-RLFYNMQTSA-N 1 3 366.347 3.396 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OCCOc2ccccc2)nc1 ZINC000422971505 500325465 /nfs/dbraw/zinc/32/54/65/500325465.db2.gz IUWUFCYQHNGGDE-ICSRJNTNSA-N 1 3 355.482 3.147 20 0 FGADHO COc1ccc([C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985487 500327329 /nfs/dbraw/zinc/32/73/29/500327329.db2.gz FAQYCUQZTIEJOE-WDSOQIARSA-N 1 3 363.546 3.207 20 0 FGADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422989562 500327705 /nfs/dbraw/zinc/32/77/05/500327705.db2.gz LSBKXESYYMEZMD-HRCADAONSA-N 1 3 357.420 3.380 20 0 FGADHO FC(F)(F)c1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422989560 500327916 /nfs/dbraw/zinc/32/79/16/500327916.db2.gz LSBKXESYYMEZMD-ARFHVFGLSA-N 1 3 357.420 3.380 20 0 FGADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423017841 500331752 /nfs/dbraw/zinc/33/17/52/500331752.db2.gz XFVALJRAVNZUJC-QLFBSQMISA-N 1 3 357.420 3.380 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025137 500332278 /nfs/dbraw/zinc/33/22/78/500332278.db2.gz KTJMEJQFMIKPSM-JZWVFAODSA-N 1 3 365.521 3.352 20 0 FGADHO CC1(C)[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423053644 500336248 /nfs/dbraw/zinc/33/62/48/500336248.db2.gz SDTAEUNGBGMTJJ-FDKIHUSFSA-N 1 3 358.526 3.117 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCN1 ZINC000423088230 500340599 /nfs/dbraw/zinc/34/05/99/500340599.db2.gz PNJLRGIHNRJWFG-UNEWFSDZSA-N 1 3 352.320 3.148 20 0 FGADHO Fc1ccc(C2CC(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094848 500342058 /nfs/dbraw/zinc/34/20/58/500342058.db2.gz CVEGNNYWDQDTNX-XMMNMGKXSA-N 1 3 352.881 3.472 20 0 FGADHO CN(C)C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103282 500342345 /nfs/dbraw/zinc/34/23/45/500342345.db2.gz GFKIXWHBBKLYJG-RZUBCFFCSA-N 1 3 369.484 3.274 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147504 500348332 /nfs/dbraw/zinc/34/83/32/500348332.db2.gz CPTQOELELJLIRV-DDUZABMNSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147504 500348335 /nfs/dbraw/zinc/34/83/35/500348335.db2.gz CPTQOELELJLIRV-DDUZABMNSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423191815 500353487 /nfs/dbraw/zinc/35/34/87/500353487.db2.gz UDMCZLFJFIRNOX-MRXNPFEDSA-N 1 3 367.497 3.196 20 0 FGADHO Fc1ccc(N2CC[C@H](N[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196382 500354017 /nfs/dbraw/zinc/35/40/17/500354017.db2.gz ZTPJUUXFMBUVSV-XJABCFGWSA-N 1 3 367.468 3.250 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000423316202 500363282 /nfs/dbraw/zinc/36/32/82/500363282.db2.gz ASAGLRISZCLTKD-UWJYYQICSA-N 1 3 351.494 3.443 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000423347990 500366183 /nfs/dbraw/zinc/36/61/83/500366183.db2.gz RPLWDZJQJKJKDC-VQTJNVASSA-N 1 3 353.510 3.440 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000423353584 500366713 /nfs/dbraw/zinc/36/67/13/500366713.db2.gz LYMWEZDDMUJSGB-DYESRHJHSA-N 1 3 351.494 3.491 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423360361 500367482 /nfs/dbraw/zinc/36/74/82/500367482.db2.gz LHJOPGKPCXBYEB-YLJYHZDGSA-N 1 3 351.494 3.014 20 0 FGADHO CSc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379197 500368756 /nfs/dbraw/zinc/36/87/56/500368756.db2.gz GKCCXMGJKHNYKB-ABAIWWIYSA-N 1 3 365.440 3.034 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385466 500369581 /nfs/dbraw/zinc/36/95/81/500369581.db2.gz KRZBMBNSILSBCF-BLLLJJGKSA-N 1 3 361.477 3.114 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000423444161 500375508 /nfs/dbraw/zinc/37/55/08/500375508.db2.gz WMOPCAOCUGTMFN-QZTJIDSGSA-N 1 3 351.494 3.443 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460870 500375884 /nfs/dbraw/zinc/37/58/84/500375884.db2.gz BPOCRPZOLPIGMQ-HFSMHLIXSA-N 1 3 370.468 3.121 20 0 FGADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460870 500375886 /nfs/dbraw/zinc/37/58/86/500375886.db2.gz BPOCRPZOLPIGMQ-HFSMHLIXSA-N 1 3 370.468 3.121 20 0 FGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccccc1I ZINC000423465947 500376412 /nfs/dbraw/zinc/37/64/12/500376412.db2.gz AENZIDUNTUBPKC-STQMWFEESA-N 1 3 358.267 3.474 20 0 FGADHO CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427288522 500377764 /nfs/dbraw/zinc/37/77/64/500377764.db2.gz PVKSPORJSFDMQV-ZVDOUQERSA-N 1 3 357.542 3.450 20 0 FGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000579520998 506193752 /nfs/dbraw/zinc/19/37/52/506193752.db2.gz NJKIAABJCALKFL-MAODMQOUSA-N 1 3 369.509 3.312 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423897070 500417438 /nfs/dbraw/zinc/41/74/38/500417438.db2.gz OONWWVWYUKDWTB-IERDGZPVSA-N 1 3 367.493 3.282 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297909 500436850 /nfs/dbraw/zinc/43/68/50/500436850.db2.gz GNZGOYJDCKGPST-IRLDBZIGSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297909 500436852 /nfs/dbraw/zinc/43/68/52/500436852.db2.gz GNZGOYJDCKGPST-IRLDBZIGSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312898 500439305 /nfs/dbraw/zinc/43/93/05/500439305.db2.gz XOGPORJECWVZQP-NHCUHLMSSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312898 500439309 /nfs/dbraw/zinc/43/93/09/500439309.db2.gz XOGPORJECWVZQP-NHCUHLMSSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312898 500439310 /nfs/dbraw/zinc/43/93/10/500439310.db2.gz XOGPORJECWVZQP-NHCUHLMSSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@H]2c2cccc(Cl)c2)cc1 ZINC000420316262 500440080 /nfs/dbraw/zinc/44/00/80/500440080.db2.gz NARNIVCLGGGFLH-XLIONFOSSA-N 1 3 359.901 3.037 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000420320746 500441165 /nfs/dbraw/zinc/44/11/65/500441165.db2.gz BTGMUPAFOATRSG-MJGOQNOKSA-N 1 3 361.873 3.323 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330547 500442608 /nfs/dbraw/zinc/44/26/08/500442608.db2.gz AUQXNJFNIZRBCA-ACRUOGEOSA-N 1 3 355.526 3.062 20 0 FGADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333212 500443117 /nfs/dbraw/zinc/44/31/17/500443117.db2.gz SMLMEKPFDHFJTB-WDSOQIARSA-N 1 3 361.505 3.057 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340155 500444819 /nfs/dbraw/zinc/44/48/19/500444819.db2.gz MSOOQJBYQJNIEX-HKBOAZHASA-N 1 3 357.542 3.212 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346477 500445515 /nfs/dbraw/zinc/44/55/15/500445515.db2.gz YJFQMIPRMANHSQ-WOJBJXKFSA-N 1 3 357.542 3.135 20 0 FGADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352842 500446294 /nfs/dbraw/zinc/44/62/94/500446294.db2.gz AYEWYYHHGLNLMX-AZUAARDMSA-N 1 3 371.550 3.322 20 0 FGADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420352842 500446295 /nfs/dbraw/zinc/44/62/95/500446295.db2.gz AYEWYYHHGLNLMX-AZUAARDMSA-N 1 3 371.550 3.322 20 0 FGADHO [NH3+]C[C@H](NCCC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000420365109 500448756 /nfs/dbraw/zinc/44/87/56/500448756.db2.gz KUASIDWBPRHEGO-INIZCTEOSA-N 1 3 368.319 3.275 20 0 FGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376277 500450344 /nfs/dbraw/zinc/45/03/44/500450344.db2.gz JUFUQFYBOUGSJM-LRDDRELGSA-N 1 3 353.392 3.154 20 0 FGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420376277 500450345 /nfs/dbraw/zinc/45/03/45/500450345.db2.gz JUFUQFYBOUGSJM-LRDDRELGSA-N 1 3 353.392 3.154 20 0 FGADHO CC(C)c1ccc([C@H](C)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411134 500457467 /nfs/dbraw/zinc/45/74/67/500457467.db2.gz XFJYUQMEDIBUQO-NDXORKPFSA-N 1 3 370.541 3.091 20 0 FGADHO COc1c(Br)cccc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424371229 500493304 /nfs/dbraw/zinc/49/33/04/500493304.db2.gz DDMHXQBIIZFDOB-CYBMUJFWSA-N 1 3 353.304 3.422 20 0 FGADHO OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462051 500512621 /nfs/dbraw/zinc/51/26/21/500512621.db2.gz SVDBSEJMRWDDMZ-MYDTUXCISA-N 1 3 372.553 3.056 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545218 /nfs/dbraw/zinc/54/52/18/500545218.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 1 3 360.546 3.069 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545219 /nfs/dbraw/zinc/54/52/19/500545219.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 1 3 360.546 3.069 20 0 FGADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000573483092 506202343 /nfs/dbraw/zinc/20/23/43/506202343.db2.gz IPPKZFHEFURJLC-YADHBBJMSA-N 1 3 365.521 3.420 20 0 FGADHO CSc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000576631393 506202481 /nfs/dbraw/zinc/20/24/81/506202481.db2.gz NZMQUJYHLHHTFF-DLBZAZTESA-N 1 3 352.544 3.002 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606372 506203970 /nfs/dbraw/zinc/20/39/70/506203970.db2.gz MVTZJJRROQKWQJ-NRFANRHFSA-N 1 3 369.557 3.233 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606372 506203974 /nfs/dbraw/zinc/20/39/74/506203974.db2.gz MVTZJJRROQKWQJ-NRFANRHFSA-N 1 3 369.557 3.233 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573494540 506204249 /nfs/dbraw/zinc/20/42/49/506204249.db2.gz PCYHMWSJPHVQIQ-RXVVDRJESA-N 1 3 357.542 3.060 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000573494540 506204251 /nfs/dbraw/zinc/20/42/51/506204251.db2.gz PCYHMWSJPHVQIQ-RXVVDRJESA-N 1 3 357.542 3.060 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000433059516 500615821 /nfs/dbraw/zinc/61/58/21/500615821.db2.gz UBVRWRSNQALWIS-AJTFCVKESA-N 1 3 369.553 3.244 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788914 500626062 /nfs/dbraw/zinc/62/60/62/500626062.db2.gz GDNIQXXRWKVYBZ-WBVHZDCISA-N 1 3 356.432 3.388 20 0 FGADHO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442878877 500638473 /nfs/dbraw/zinc/63/84/73/500638473.db2.gz VOXIXCYLJKHNEM-OAHLLOKOSA-N 1 3 355.473 3.273 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720495 /nfs/dbraw/zinc/72/04/95/500720495.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720499 /nfs/dbraw/zinc/72/04/99/500720499.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 1 3 358.448 3.413 20 0 FGADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000438209621 500754690 /nfs/dbraw/zinc/75/46/90/500754690.db2.gz DAGHXSJHSNYSAG-IRXDYDNUSA-N 1 3 370.463 3.304 20 0 FGADHO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265574 500826622 /nfs/dbraw/zinc/82/66/22/500826622.db2.gz AYEBPTJGPCZNRD-IRLDBZIGSA-N 1 3 367.537 3.033 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180138 500866563 /nfs/dbraw/zinc/86/65/63/500866563.db2.gz AZUSICHGTXZWFJ-HSALFYBXSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000434689657 500880792 /nfs/dbraw/zinc/88/07/92/500880792.db2.gz XFJVYXOMXVHGLQ-IBGZPJMESA-N 1 3 353.510 3.275 20 0 FGADHO COc1cccc2c(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)cccc12 ZINC000449036095 500907401 /nfs/dbraw/zinc/90/74/01/500907401.db2.gz ITDSQXBZDHQPNQ-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO CC(C)COc1ccccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000449107226 500926199 /nfs/dbraw/zinc/92/61/99/500926199.db2.gz LTBAUESCEHFOAY-UHFFFAOYSA-N 1 3 359.558 3.370 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000449105572 500926605 /nfs/dbraw/zinc/92/66/05/500926605.db2.gz YYLQRKFFITZWPL-IRXDYDNUSA-N 1 3 374.504 3.205 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204775 500947527 /nfs/dbraw/zinc/94/75/27/500947527.db2.gz JNNJRZWYZCSLLW-JPYJTQIMSA-N 1 3 370.512 3.414 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379593 500964042 /nfs/dbraw/zinc/96/40/42/500964042.db2.gz JUNDVIRGXCUBEE-UFYCRDLUSA-N 1 3 367.493 3.228 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387574 500965672 /nfs/dbraw/zinc/96/56/72/500965672.db2.gz ASMRHJVRWALUKB-VNQPRFMTSA-N 1 3 350.388 3.060 20 0 FGADHO CN1CCN(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1(C)C ZINC000449300768 500970764 /nfs/dbraw/zinc/97/07/64/500970764.db2.gz FSEYTYYQQWGQMJ-UHFFFAOYSA-N 1 3 366.638 3.281 20 0 FGADHO Cc1cccc(CN2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325636 500977526 /nfs/dbraw/zinc/97/75/26/500977526.db2.gz OHEZDGQRGWTHQP-HDICACEKSA-N 1 3 364.505 3.224 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345408 500982982 /nfs/dbraw/zinc/98/29/82/500982982.db2.gz VMGATZLOZHPFKK-QCFAMHMHSA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345408 500982984 /nfs/dbraw/zinc/98/29/84/500982984.db2.gz VMGATZLOZHPFKK-QCFAMHMHSA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345408 500982985 /nfs/dbraw/zinc/98/29/85/500982985.db2.gz VMGATZLOZHPFKK-QCFAMHMHSA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446625384 501143627 /nfs/dbraw/zinc/14/36/27/501143627.db2.gz SYCHRPQGXFWXNL-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446625384 501143629 /nfs/dbraw/zinc/14/36/29/501143629.db2.gz SYCHRPQGXFWXNL-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO C=Cn1cc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cn1 ZINC000446816706 501168313 /nfs/dbraw/zinc/16/83/13/501168313.db2.gz GSIQWARSXPBWPZ-OALUTQOASA-N 1 3 368.525 3.283 20 0 FGADHO CCc1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000450289830 501226797 /nfs/dbraw/zinc/22/67/97/501226797.db2.gz BYDIXORYXWRKRX-LJQANCHMSA-N 1 3 365.525 3.078 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccncc1 ZINC000453067937 501261976 /nfs/dbraw/zinc/26/19/76/501261976.db2.gz SGSHUFAZBCPQHV-JOCHJYFZSA-N 1 3 352.526 3.460 20 0 FGADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453077059 501263749 /nfs/dbraw/zinc/26/37/49/501263749.db2.gz VYYQYZNLCGTBRO-ZRBLBEILSA-N 1 3 371.569 3.130 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457632419 501272435 /nfs/dbraw/zinc/27/24/35/501272435.db2.gz FQPXQZZCUOLAGC-NRFANRHFSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457632419 501272437 /nfs/dbraw/zinc/27/24/37/501272437.db2.gz FQPXQZZCUOLAGC-NRFANRHFSA-N 1 3 372.557 3.084 20 0 FGADHO C[C@H](Cc1cnccn1)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000453120955 501273292 /nfs/dbraw/zinc/27/32/92/501273292.db2.gz DAXONWMHPRTMKJ-LJQANCHMSA-N 1 3 368.525 3.069 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453207934 501291324 /nfs/dbraw/zinc/29/13/24/501291324.db2.gz BYDNDIJXIDSGER-ICSRJNTNSA-N 1 3 352.478 3.110 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207934 501291326 /nfs/dbraw/zinc/29/13/26/501291326.db2.gz BYDNDIJXIDSGER-ICSRJNTNSA-N 1 3 352.478 3.110 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)c(=O)n1C ZINC000453209095 501292112 /nfs/dbraw/zinc/29/21/12/501292112.db2.gz CTABQCGIYQXIMH-BDTNDASRSA-N 1 3 365.521 3.227 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483503 501315512 /nfs/dbraw/zinc/31/55/12/501315512.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 1 3 372.557 3.067 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483503 501315514 /nfs/dbraw/zinc/31/55/14/501315514.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 1 3 372.557 3.067 20 0 FGADHO CNC(=O)C[C@H](C)N[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386326 501323580 /nfs/dbraw/zinc/32/35/80/501323580.db2.gz VECIOQNBZRTFAU-FXAWDEMLSA-N 1 3 363.521 3.493 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482287 506248556 /nfs/dbraw/zinc/24/85/56/506248556.db2.gz YXHDESLHEXQSRM-QIJUGHKUSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482287 506248563 /nfs/dbraw/zinc/24/85/63/506248563.db2.gz YXHDESLHEXQSRM-QIJUGHKUSA-N 1 3 368.521 3.226 20 0 FGADHO CN1CCC2(CCCN2C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455919636 501415620 /nfs/dbraw/zinc/41/56/20/501415620.db2.gz LJJVRHKRDWJEIA-IBGZPJMESA-N 1 3 356.514 3.328 20 0 FGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025215 501420625 /nfs/dbraw/zinc/42/06/25/501420625.db2.gz QRNOLDBKCAKFTL-FGTMMUONSA-N 1 3 355.448 3.091 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000458381086 501431946 /nfs/dbraw/zinc/43/19/46/501431946.db2.gz VOPCQUPYLKDMNN-GCJKJVERSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458424772 501441335 /nfs/dbraw/zinc/44/13/35/501441335.db2.gz VNRHCDYCDVLXOJ-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453179 /nfs/dbraw/zinc/45/31/79/501453179.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 1 3 357.542 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453181 /nfs/dbraw/zinc/45/31/81/501453181.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 1 3 357.542 3.473 20 0 FGADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCC(Cc2ccccc2)CC1 ZINC000456317121 501496456 /nfs/dbraw/zinc/49/64/56/501496456.db2.gz GFHIXBCRDZIBHF-IRFPFTSISA-N 1 3 369.553 3.071 20 0 FGADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCC(Cc2ccccc2)CC1 ZINC000456317121 501496460 /nfs/dbraw/zinc/49/64/60/501496460.db2.gz GFHIXBCRDZIBHF-IRFPFTSISA-N 1 3 369.553 3.071 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000454344508 501519101 /nfs/dbraw/zinc/51/91/01/501519101.db2.gz URSUHSMTGUOQPW-NRFANRHFSA-N 1 3 372.557 3.216 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(CC)CC)cc1 ZINC000458792081 501532818 /nfs/dbraw/zinc/53/28/18/501532818.db2.gz LCNZSEIZVNQPCF-FPOVZHCZSA-N 1 3 374.573 3.225 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972857 501568084 /nfs/dbraw/zinc/56/80/84/501568084.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972857 501568086 /nfs/dbraw/zinc/56/80/86/501568086.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363557 501639586 /nfs/dbraw/zinc/63/95/86/501639586.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 1 3 369.553 3.360 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363557 501639587 /nfs/dbraw/zinc/63/95/87/501639587.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 1 3 369.553 3.360 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000459449520 501655961 /nfs/dbraw/zinc/65/59/61/501655961.db2.gz ZIVUFYZOIXOWLT-FQEVSTJZSA-N 1 3 350.466 3.138 20 0 FGADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459515916 501667916 /nfs/dbraw/zinc/66/79/16/501667916.db2.gz DCHJPRDZBXWBAH-LAUBAEHRSA-N 1 3 367.493 3.060 20 0 FGADHO CNC(=O)CC[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459537654 501672421 /nfs/dbraw/zinc/67/24/21/501672421.db2.gz SBOCPNNDFPXPJR-NRFANRHFSA-N 1 3 357.542 3.279 20 0 FGADHO CNC(=O)CC[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459537654 501672422 /nfs/dbraw/zinc/67/24/22/501672422.db2.gz SBOCPNNDFPXPJR-NRFANRHFSA-N 1 3 357.542 3.279 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1n1cccn1 ZINC000459570857 501679009 /nfs/dbraw/zinc/67/90/09/501679009.db2.gz MWULFAQRDAKDMZ-ZCNNSNEGSA-N 1 3 369.513 3.034 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000457457429 501701941 /nfs/dbraw/zinc/70/19/41/501701941.db2.gz NQTKMAIVSPVTHG-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457429 501701942 /nfs/dbraw/zinc/70/19/42/501701942.db2.gz NQTKMAIVSPVTHG-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000467352302 501775333 /nfs/dbraw/zinc/77/53/33/501775333.db2.gz GBLXJSJKBZLSQI-OAQYLSRUSA-N 1 3 357.473 3.445 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470718457 501780889 /nfs/dbraw/zinc/78/08/89/501780889.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470718457 501780895 /nfs/dbraw/zinc/78/08/95/501780895.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO Cc1noc(CCC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000477774086 501783701 /nfs/dbraw/zinc/78/37/01/501783701.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 1 3 354.498 3.299 20 0 FGADHO Cc1noc(CCC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000477774086 501783705 /nfs/dbraw/zinc/78/37/05/501783705.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 1 3 354.498 3.299 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757934 501792944 /nfs/dbraw/zinc/79/29/44/501792944.db2.gz VYTCZLSGHHEZMY-GOTSBHOMSA-N 1 3 370.537 3.176 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544823 501809891 /nfs/dbraw/zinc/80/98/91/501809891.db2.gz BMAPOZQDJVOWCG-AZUAARDMSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544823 501809894 /nfs/dbraw/zinc/80/98/94/501809894.db2.gz BMAPOZQDJVOWCG-AZUAARDMSA-N 1 3 356.514 3.099 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)c2)n1 ZINC000477860056 501811989 /nfs/dbraw/zinc/81/19/89/501811989.db2.gz LYYFUCZJKPAHHX-CJNGLKHVSA-N 1 3 359.495 3.027 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477860056 501811996 /nfs/dbraw/zinc/81/19/96/501811996.db2.gz LYYFUCZJKPAHHX-CJNGLKHVSA-N 1 3 359.495 3.027 20 0 FGADHO C[C@H](C(=O)NC(C)(C)C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476918 501832236 /nfs/dbraw/zinc/83/22/36/501832236.db2.gz QNUUDGKHGLBUGT-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000485641024 501885490 /nfs/dbraw/zinc/88/54/90/501885490.db2.gz YRMUILITJYFDMY-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641024 501885494 /nfs/dbraw/zinc/88/54/94/501885494.db2.gz YRMUILITJYFDMY-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO Cc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000474598973 501888723 /nfs/dbraw/zinc/88/87/23/501888723.db2.gz LXJLSOQDSYLRJH-RTBURBONSA-N 1 3 356.514 3.160 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000485660402 501891032 /nfs/dbraw/zinc/89/10/32/501891032.db2.gz HVHJHNHULANSCV-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629629 501900315 /nfs/dbraw/zinc/90/03/15/501900315.db2.gz NBOIHDDYNPQOMT-MWGFUINXSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629629 501900321 /nfs/dbraw/zinc/90/03/21/501900321.db2.gz NBOIHDDYNPQOMT-MWGFUINXSA-N 1 3 361.505 3.104 20 0 FGADHO CC(C)(CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406976 501970654 /nfs/dbraw/zinc/97/06/54/501970654.db2.gz GHDQMDMORHQXMX-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC1(C)Cc2occc2[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000482113429 501978820 /nfs/dbraw/zinc/97/88/20/501978820.db2.gz KOMFPDUZDVCPTI-HXUWFJFHSA-N 1 3 368.525 3.490 20 0 FGADHO c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482126382 501982385 /nfs/dbraw/zinc/98/23/85/501982385.db2.gz XOOXJBBUVODTKK-JOCHJYFZSA-N 1 3 350.510 3.261 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000468430292 502057169 /nfs/dbraw/zinc/05/71/69/502057169.db2.gz SYUSKJOTAWIJSZ-GBESFXJTSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000468430292 502057170 /nfs/dbraw/zinc/05/71/70/502057170.db2.gz SYUSKJOTAWIJSZ-GBESFXJTSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127664 502069403 /nfs/dbraw/zinc/06/94/03/502069403.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127664 502069405 /nfs/dbraw/zinc/06/94/05/502069405.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136783 502075299 /nfs/dbraw/zinc/07/52/99/502075299.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136783 502075303 /nfs/dbraw/zinc/07/53/03/502075303.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140329 502076978 /nfs/dbraw/zinc/07/69/78/502076978.db2.gz RYWNOHAXCRJXKQ-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791411 502086589 /nfs/dbraw/zinc/08/65/89/502086589.db2.gz DRUHYNZEUUHBLS-UYAOXDASSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568663 502113331 /nfs/dbraw/zinc/11/33/31/502113331.db2.gz IIGAGYDLUBAXMG-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875210 502161526 /nfs/dbraw/zinc/16/15/26/502161526.db2.gz WJXUTRQDNSTOMM-FPOVZHCZSA-N 1 3 357.542 3.107 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875210 502161530 /nfs/dbraw/zinc/16/15/30/502161530.db2.gz WJXUTRQDNSTOMM-FPOVZHCZSA-N 1 3 357.542 3.107 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000471875210 502161536 /nfs/dbraw/zinc/16/15/36/502161536.db2.gz WJXUTRQDNSTOMM-FPOVZHCZSA-N 1 3 357.542 3.107 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000468847968 502204699 /nfs/dbraw/zinc/20/46/99/502204699.db2.gz DTMSCGLXZUQGCM-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546690 502209498 /nfs/dbraw/zinc/20/94/98/502209498.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546690 502209503 /nfs/dbraw/zinc/20/95/03/502209503.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000472143878 502246815 /nfs/dbraw/zinc/24/68/15/502246815.db2.gz IZZOOBUJCKMWKY-QZTJIDSGSA-N 1 3 371.525 3.163 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000465420088 502256626 /nfs/dbraw/zinc/25/66/26/502256626.db2.gz HNYWIVSNNHFFOM-RXVVDRJESA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000465420088 502256629 /nfs/dbraw/zinc/25/66/29/502256629.db2.gz HNYWIVSNNHFFOM-RXVVDRJESA-N 1 3 374.573 3.368 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@H](NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000479436775 502259579 /nfs/dbraw/zinc/25/95/79/502259579.db2.gz KUGHCOFKFYCLGJ-FSPWUOQZSA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@H](NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436775 502259582 /nfs/dbraw/zinc/25/95/82/502259582.db2.gz KUGHCOFKFYCLGJ-FSPWUOQZSA-N 1 3 367.331 3.119 20 0 FGADHO CCCC[N@H+](C)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486809466 502270044 /nfs/dbraw/zinc/27/00/44/502270044.db2.gz FMUWTUZNZNSAJJ-UHFFFAOYSA-N 1 3 374.525 3.475 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486809466 502270048 /nfs/dbraw/zinc/27/00/48/502270048.db2.gz FMUWTUZNZNSAJJ-UHFFFAOYSA-N 1 3 374.525 3.475 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486960511 502316134 /nfs/dbraw/zinc/31/61/34/502316134.db2.gz ATIQBZNUXLUZMA-AATRIKPKSA-N 1 3 350.510 3.022 20 0 FGADHO Cn1nnc2cc(CN3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370011 502332776 /nfs/dbraw/zinc/33/27/76/502332776.db2.gz OXGNYOXJNWNDNB-FPOVZHCZSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CCCC[C@H]3[C@H](CN)Cc3ccccc3)ccc21 ZINC000472370011 502332781 /nfs/dbraw/zinc/33/27/81/502332781.db2.gz OXGNYOXJNWNDNB-FPOVZHCZSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CCCC[C@H]3[C@H](CN)Cc3ccccc3)ccc21 ZINC000472370011 502332788 /nfs/dbraw/zinc/33/27/88/502332788.db2.gz OXGNYOXJNWNDNB-FPOVZHCZSA-N 1 3 363.509 3.140 20 0 FGADHO CC[NH+](CC)CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475970389 502347232 /nfs/dbraw/zinc/34/72/32/502347232.db2.gz PHIPQLKTTUQGLF-JOCHJYFZSA-N 1 3 372.557 3.026 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103827 502360372 /nfs/dbraw/zinc/36/03/72/502360372.db2.gz OCAHUIGCEQBMAI-ROUUACIJSA-N 1 3 366.575 3.113 20 0 FGADHO CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472475102 502362929 /nfs/dbraw/zinc/36/29/29/502362929.db2.gz FGHNYIDQGQJVEJ-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000479807954 502383227 /nfs/dbraw/zinc/38/32/27/502383227.db2.gz SGGXWVSWXUEDIX-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494792 /nfs/dbraw/zinc/49/47/92/502494792.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494793 /nfs/dbraw/zinc/49/47/93/502494793.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO C[NH+](C)CCOc1ccc(CCNCc2nccn2-c2ccccc2)cc1 ZINC000480362796 502546731 /nfs/dbraw/zinc/54/67/31/502546731.db2.gz ZINNUEAZNGCRKT-UHFFFAOYSA-N 1 3 364.493 3.145 20 0 FGADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000469864577 502574462 /nfs/dbraw/zinc/57/44/62/502574462.db2.gz VSTKNSPEIASKRN-UHFFFAOYSA-N 1 3 356.514 3.326 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000480488255 502580654 /nfs/dbraw/zinc/58/06/54/502580654.db2.gz IDJXCOOWJGWSPV-UGKGYDQZSA-N 1 3 371.569 3.056 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000480488255 502580658 /nfs/dbraw/zinc/58/06/58/502580658.db2.gz IDJXCOOWJGWSPV-UGKGYDQZSA-N 1 3 371.569 3.056 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCc3ccc(O)cc32)(N2CCCCC2)CC1 ZINC000462810479 502583744 /nfs/dbraw/zinc/58/37/44/502583744.db2.gz CSKKCFYCDIKSMT-NRFANRHFSA-N 1 3 357.542 3.310 20 0 FGADHO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000480572078 502607595 /nfs/dbraw/zinc/60/75/95/502607595.db2.gz RIQKQXXRZXJMGQ-LAUBAEHRSA-N 1 3 368.525 3.239 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501990 502612575 /nfs/dbraw/zinc/61/25/75/502612575.db2.gz BTNXQDOCTAWHFD-TXTKFYIRSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501990 502612581 /nfs/dbraw/zinc/61/25/81/502612581.db2.gz BTNXQDOCTAWHFD-TXTKFYIRSA-N 1 3 369.553 3.374 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595937 502614946 /nfs/dbraw/zinc/61/49/46/502614946.db2.gz PJVAWCBRZDVZFC-VQIMIIECSA-N 1 3 372.513 3.270 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510104 502615462 /nfs/dbraw/zinc/61/54/62/502615462.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510104 502615469 /nfs/dbraw/zinc/61/54/69/502615469.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000469979806 502617230 /nfs/dbraw/zinc/61/72/30/502617230.db2.gz ABKIXAVZJGNNBZ-LJQANCHMSA-N 1 3 373.541 3.042 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480621144 502623837 /nfs/dbraw/zinc/62/38/37/502623837.db2.gz IYKCGHWKXRXXGC-WMZHIEFXSA-N 1 3 367.537 3.300 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473529220 502624388 /nfs/dbraw/zinc/62/43/88/502624388.db2.gz WECGLCKJOBSMJP-LRVUVFPRSA-N 1 3 363.468 3.075 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C2CCCCC2)N(C)C)[C@@H](C)C1 ZINC000480722892 502652690 /nfs/dbraw/zinc/65/26/90/502652690.db2.gz QNTGHSFYMGXOOO-JBACZVJFSA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000484591104 502678317 /nfs/dbraw/zinc/67/83/17/502678317.db2.gz NGRLZIUBTWHFDP-RMJJICAUSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000484591104 502678320 /nfs/dbraw/zinc/67/83/20/502678320.db2.gz NGRLZIUBTWHFDP-RMJJICAUSA-N 1 3 360.546 3.097 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123382 502701938 /nfs/dbraw/zinc/70/19/38/502701938.db2.gz ORZHRSURMKSGMB-PBHICJAKSA-N 1 3 359.436 3.327 20 0 FGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000470211937 502706150 /nfs/dbraw/zinc/70/61/50/502706150.db2.gz OGMXZGJIVYHEMP-OAQYLSRUSA-N 1 3 369.553 3.476 20 0 FGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000470211937 502706152 /nfs/dbraw/zinc/70/61/52/502706152.db2.gz OGMXZGJIVYHEMP-OAQYLSRUSA-N 1 3 369.553 3.476 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022235 502730762 /nfs/dbraw/zinc/73/07/62/502730762.db2.gz JZDFOVDHQUBTRO-NQIIRXRSSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026306 502732325 /nfs/dbraw/zinc/73/23/25/502732325.db2.gz RLFBXOBVXAFLLN-NQIIRXRSSA-N 1 3 354.494 3.373 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000473986832 502771856 /nfs/dbraw/zinc/77/18/56/502771856.db2.gz YYPOEWRQEXIVSK-XVAXZDLZSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000481185998 502777944 /nfs/dbraw/zinc/77/79/44/502777944.db2.gz HCYZZDJVXRPCJF-LQBOVUBWSA-N 1 3 371.569 3.490 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984286 502792891 /nfs/dbraw/zinc/79/28/91/502792891.db2.gz CHEUNDGWSJBUNY-RIFZZMRRSA-N 1 3 357.523 3.013 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000513042585 502836634 /nfs/dbraw/zinc/83/66/34/502836634.db2.gz YPQDIQVCHQZSGR-UHFFFAOYSA-N 1 3 358.574 3.181 20 0 FGADHO C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844450 /nfs/dbraw/zinc/84/44/50/502844450.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 1 3 371.569 3.415 20 0 FGADHO C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844453 /nfs/dbraw/zinc/84/44/53/502844453.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 1 3 371.569 3.415 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000495696488 502857940 /nfs/dbraw/zinc/85/79/40/502857940.db2.gz LOLVUNWWEKWYDI-MOPGFXCFSA-N 1 3 363.571 3.036 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000495696488 502857945 /nfs/dbraw/zinc/85/79/45/502857945.db2.gz LOLVUNWWEKWYDI-MOPGFXCFSA-N 1 3 363.571 3.036 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1)C(C)C ZINC000495728412 502861223 /nfs/dbraw/zinc/86/12/23/502861223.db2.gz NSZKAQNTJWLOPW-MOPGFXCFSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1)C(C)C ZINC000495728412 502861227 /nfs/dbraw/zinc/86/12/27/502861227.db2.gz NSZKAQNTJWLOPW-MOPGFXCFSA-N 1 3 363.571 3.035 20 0 FGADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058965 502870524 /nfs/dbraw/zinc/87/05/24/502870524.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058965 502870526 /nfs/dbraw/zinc/87/05/26/502870526.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000500840093 502875091 /nfs/dbraw/zinc/87/50/91/502875091.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000500840093 502875093 /nfs/dbraw/zinc/87/50/93/502875093.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 1 3 352.567 3.205 20 0 FGADHO CCN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501031832 502916924 /nfs/dbraw/zinc/91/69/24/502916924.db2.gz ZZOKURZTZYYUBB-UHFFFAOYSA-N 1 3 366.509 3.283 20 0 FGADHO CCc1oc(C(=O)OC)cc1CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067801 502927404 /nfs/dbraw/zinc/92/74/04/502927404.db2.gz KFOVZELOFNSDJL-UHFFFAOYSA-N 1 3 371.481 3.372 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586529 502941849 /nfs/dbraw/zinc/94/18/49/502941849.db2.gz HIWVRARCKIFJFS-IAGOWNOFSA-N 1 3 364.534 3.130 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586529 502941853 /nfs/dbraw/zinc/94/18/53/502941853.db2.gz HIWVRARCKIFJFS-IAGOWNOFSA-N 1 3 364.534 3.130 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501132305 502945864 /nfs/dbraw/zinc/94/58/64/502945864.db2.gz RMFPJXWEIQZAQW-QFIPXVFZSA-N 1 3 359.558 3.421 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501132305 502945865 /nfs/dbraw/zinc/94/58/65/502945865.db2.gz RMFPJXWEIQZAQW-QFIPXVFZSA-N 1 3 359.558 3.421 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505469 502955194 /nfs/dbraw/zinc/95/51/94/502955194.db2.gz KOGCAWJLYCMSIL-XQBPLPMBSA-N 1 3 368.525 3.239 20 0 FGADHO CC(C)N1CCC([N@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509915414 503011072 /nfs/dbraw/zinc/01/10/72/503011072.db2.gz ZHPKNKUYRDGFRY-UHFFFAOYSA-N 1 3 358.574 3.003 20 0 FGADHO CC(C)N1CCC([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509915414 503011075 /nfs/dbraw/zinc/01/10/75/503011075.db2.gz ZHPKNKUYRDGFRY-UHFFFAOYSA-N 1 3 358.574 3.003 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501492570 503020476 /nfs/dbraw/zinc/02/04/76/503020476.db2.gz VPEAPUZRBFCNFR-RTBURBONSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501492570 503020477 /nfs/dbraw/zinc/02/04/77/503020477.db2.gz VPEAPUZRBFCNFR-RTBURBONSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528326 503029360 /nfs/dbraw/zinc/02/93/60/503029360.db2.gz CSRADAQNBSONJN-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528326 503029365 /nfs/dbraw/zinc/02/93/65/503029365.db2.gz CSRADAQNBSONJN-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501545440 503033778 /nfs/dbraw/zinc/03/37/78/503033778.db2.gz IJSRQQBIDRMDOB-VQTJNVASSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501545440 503033781 /nfs/dbraw/zinc/03/37/81/503033781.db2.gz IJSRQQBIDRMDOB-VQTJNVASSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795871 503037602 /nfs/dbraw/zinc/03/76/02/503037602.db2.gz KTWZETFQISVKTI-PCCBWWKXSA-N 1 3 360.542 3.054 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861510 503051635 /nfs/dbraw/zinc/05/16/35/503051635.db2.gz OJZZYGKEWVDAKL-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000501871812 503099116 /nfs/dbraw/zinc/09/91/16/503099116.db2.gz MQSWZDQZDMJOKU-LJQANCHMSA-N 1 3 352.567 3.158 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514229271 503119663 /nfs/dbraw/zinc/11/96/63/503119663.db2.gz PFLSFTAOAUHVRG-TZIWHRDSSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514229271 503119666 /nfs/dbraw/zinc/11/96/66/503119666.db2.gz PFLSFTAOAUHVRG-TZIWHRDSSA-N 1 3 372.557 3.306 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000510468482 503121672 /nfs/dbraw/zinc/12/16/72/503121672.db2.gz CRXBEJBMUGBXKT-JOCHJYFZSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000510514551 503130528 /nfs/dbraw/zinc/13/05/28/503130528.db2.gz UYWXBPXXQLNUQH-SFHVURJKSA-N 1 3 370.541 3.122 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000514564596 503137282 /nfs/dbraw/zinc/13/72/82/503137282.db2.gz JEBFVNNWKNCLGC-NRFANRHFSA-N 1 3 372.557 3.122 20 0 FGADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449969 503186638 /nfs/dbraw/zinc/18/66/38/503186638.db2.gz BKANEERENNWPQZ-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO CN(C)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449969 503186640 /nfs/dbraw/zinc/18/66/40/503186640.db2.gz BKANEERENNWPQZ-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490863605 503237971 /nfs/dbraw/zinc/23/79/71/503237971.db2.gz UMZKEDZFRXCVRW-ROUUACIJSA-N 1 3 372.557 3.058 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000498705303 503243237 /nfs/dbraw/zinc/24/32/37/503243237.db2.gz ORNLMUIWTUMJHC-QUCCMNQESA-N 1 3 362.562 3.486 20 0 FGADHO CCCCN(C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491050918 503266216 /nfs/dbraw/zinc/26/62/16/503266216.db2.gz IFXNUBFARVYNGT-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO C[C@@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)N(C)C1CC1 ZINC000502797495 503274566 /nfs/dbraw/zinc/27/45/66/503274566.db2.gz YMNMAOJZTNEEGV-ROUUACIJSA-N 1 3 372.557 3.432 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502878437 503296173 /nfs/dbraw/zinc/29/61/73/503296173.db2.gz ZYFVHESIPGPNQS-RTBURBONSA-N 1 3 374.573 3.306 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512050926 503444145 /nfs/dbraw/zinc/44/41/45/503444145.db2.gz FHVLDCVZMSHGLT-JGAFRWBPSA-N 1 3 350.453 3.336 20 0 FGADHO C[C@H]1CCCC[C@@H]1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000512092538 503455722 /nfs/dbraw/zinc/45/57/22/503455722.db2.gz VTVKGUZRPXWTBY-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195458 503482891 /nfs/dbraw/zinc/48/28/91/503482891.db2.gz NUGBASLNCYJXIR-RXVVDRJESA-N 1 3 357.542 3.449 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000503905576 503486729 /nfs/dbraw/zinc/48/67/29/503486729.db2.gz CCYNAJYRFPMCGB-LJQANCHMSA-N 1 3 362.562 3.267 20 0 FGADHO C[C@@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713420 503549572 /nfs/dbraw/zinc/54/95/72/503549572.db2.gz FTJPGKQVEJWJIM-VNHKHXMHSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713420 503549576 /nfs/dbraw/zinc/54/95/76/503549576.db2.gz FTJPGKQVEJWJIM-VNHKHXMHSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719402 503550735 /nfs/dbraw/zinc/55/07/35/503550735.db2.gz PIBFTLGYQORWSV-YSIASYRMSA-N 1 3 352.478 3.327 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097412 503552789 /nfs/dbraw/zinc/55/27/89/503552789.db2.gz JKBGGSVRPRZURN-CPFNUKBASA-N 1 3 364.534 3.128 20 0 FGADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547340 503562167 /nfs/dbraw/zinc/56/21/67/503562167.db2.gz VFDAZLSKPFHRJS-OAQYLSRUSA-N 1 3 355.526 3.055 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000516689229 503570070 /nfs/dbraw/zinc/57/00/70/503570070.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000516689229 503570072 /nfs/dbraw/zinc/57/00/72/503570072.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO COCc1ccccc1/C=C(/C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000508875634 503585070 /nfs/dbraw/zinc/58/50/70/503585070.db2.gz BMJVTKWLJNSNJO-QYFOPDBTSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000508875634 503585073 /nfs/dbraw/zinc/58/50/73/503585073.db2.gz BMJVTKWLJNSNJO-QYFOPDBTSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000508875634 503585075 /nfs/dbraw/zinc/58/50/75/503585075.db2.gz BMJVTKWLJNSNJO-QYFOPDBTSA-N 1 3 371.569 3.194 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC000508899262 503594074 /nfs/dbraw/zinc/59/40/74/503594074.db2.gz TZROFRJODQVEQH-PXNSSMCTSA-N 1 3 360.546 3.158 20 0 FGADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)CCCC[NH+](C)C)CC1 ZINC000516851335 503599322 /nfs/dbraw/zinc/59/93/22/503599322.db2.gz YGHXRPPURUDYLO-UHFFFAOYSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@H]1C ZINC000512667498 503608280 /nfs/dbraw/zinc/60/82/80/503608280.db2.gz PWMRXRLTWFYKRZ-LVCYWYKZSA-N 1 3 357.542 3.427 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721100 503680694 /nfs/dbraw/zinc/68/06/94/503680694.db2.gz YFSNWZJHPBPJPO-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000517512884 503760937 /nfs/dbraw/zinc/76/09/37/503760937.db2.gz DQCALXUQARXXKG-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000540593404 503827271 /nfs/dbraw/zinc/82/72/71/503827271.db2.gz FLUPBIRXQUYGMH-HZPDHXFCSA-N 1 3 357.498 3.233 20 0 FGADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000533548879 503885380 /nfs/dbraw/zinc/88/53/80/503885380.db2.gz ASUKOLNPHRSTDS-ROUUACIJSA-N 1 3 369.509 3.059 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023366 503892090 /nfs/dbraw/zinc/89/20/90/503892090.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023366 503892095 /nfs/dbraw/zinc/89/20/95/503892095.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 1 3 370.541 3.138 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000533622378 503903315 /nfs/dbraw/zinc/90/33/15/503903315.db2.gz SZGUKLRBMRYZHG-FQEVSTJZSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000533622378 503903321 /nfs/dbraw/zinc/90/33/21/503903321.db2.gz SZGUKLRBMRYZHG-FQEVSTJZSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366662 503964723 /nfs/dbraw/zinc/96/47/23/503964723.db2.gz FOHIWEXRLSJLFS-SYYKKAFVSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598010 504025104 /nfs/dbraw/zinc/02/51/04/504025104.db2.gz ZPMMMXIXWBOOKV-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598010 504025109 /nfs/dbraw/zinc/02/51/09/504025109.db2.gz ZPMMMXIXWBOOKV-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000541160019 504026780 /nfs/dbraw/zinc/02/67/80/504026780.db2.gz OKHSYTGYYZKDAE-LJQANCHMSA-N 1 3 366.594 3.262 20 0 FGADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC(=O)Nc3ccccc32)c1 ZINC000544362739 504103843 /nfs/dbraw/zinc/10/38/43/504103843.db2.gz IBAQUYNMZBIWEU-LJQANCHMSA-N 1 3 353.466 3.190 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CCN(CC2CC2)CC1 ZINC000530904167 504125195 /nfs/dbraw/zinc/12/51/95/504125195.db2.gz DBECHXFEKHLSIO-UHFFFAOYSA-N 1 3 372.465 3.192 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000530939828 504136404 /nfs/dbraw/zinc/13/64/04/504136404.db2.gz MQZXBVQPMWNJEZ-KDURUIRLSA-N 1 3 359.558 3.464 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538204480 504161477 /nfs/dbraw/zinc/16/14/77/504161477.db2.gz GSQOINZEMQJNRM-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538289428 504190225 /nfs/dbraw/zinc/19/02/25/504190225.db2.gz AYSQPUSOBSVFSA-QHCPKHFHSA-N 1 3 373.585 3.288 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000544623762 504195201 /nfs/dbraw/zinc/19/52/01/504195201.db2.gz DYPLJDDMTQAJQH-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000544623762 504195206 /nfs/dbraw/zinc/19/52/06/504195206.db2.gz DYPLJDDMTQAJQH-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396100 504234168 /nfs/dbraw/zinc/23/41/68/504234168.db2.gz QBDFKFHFBXEHDM-UWHLTILDSA-N 1 3 360.542 3.489 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396100 504234174 /nfs/dbraw/zinc/23/41/74/504234174.db2.gz QBDFKFHFBXEHDM-UWHLTILDSA-N 1 3 360.542 3.489 20 0 FGADHO c1ccc([C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)c2cncnc2)cc1 ZINC000541735014 504237625 /nfs/dbraw/zinc/23/76/25/504237625.db2.gz QVEVFPZZOJXSFP-JOCHJYFZSA-N 1 3 359.477 3.467 20 0 FGADHO C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568263 504256437 /nfs/dbraw/zinc/25/64/37/504256437.db2.gz QMCHHHZWRMPVEG-RBDMOPTHSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568263 504256439 /nfs/dbraw/zinc/25/64/39/504256439.db2.gz QMCHHHZWRMPVEG-RBDMOPTHSA-N 1 3 356.485 3.229 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544825651 504271490 /nfs/dbraw/zinc/27/14/90/504271490.db2.gz LOIHHCZNCVEVOR-LJQANCHMSA-N 1 3 359.901 3.065 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749764 504356491 /nfs/dbraw/zinc/35/64/91/504356491.db2.gz FCWZAUUOKCEISX-FQEVSTJZSA-N 1 3 372.513 3.018 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481466 504460613 /nfs/dbraw/zinc/46/06/13/504460613.db2.gz QOSYREVDWKXOMF-GHTZIAJQSA-N 1 3 354.494 3.058 20 0 FGADHO Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989065 504484879 /nfs/dbraw/zinc/48/48/79/504484879.db2.gz NWWUPDJESLYUKN-SFHVURJKSA-N 1 3 374.529 3.074 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450685 504494036 /nfs/dbraw/zinc/49/40/36/504494036.db2.gz IEWXRZYOQVAHIX-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(CCc3c(F)cccc3Cl)CC2)CC1 ZINC000542593834 504548402 /nfs/dbraw/zinc/54/84/02/504548402.db2.gz RYXNZWMUONAMGN-UHFFFAOYSA-N 1 3 367.940 3.371 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408027 504562325 /nfs/dbraw/zinc/56/23/25/504562325.db2.gz RPFQJSPGMZMWBI-KRWDZBQOSA-N 1 3 362.543 3.081 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N2CCCC2)cc1 ZINC000542787215 504610449 /nfs/dbraw/zinc/61/04/49/504610449.db2.gz LESCHLWAINVWDJ-OAQYLSRUSA-N 1 3 366.509 3.170 20 0 FGADHO Cc1cc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000539688615 504653974 /nfs/dbraw/zinc/65/39/74/504653974.db2.gz IKTKXDPHAZLJKN-JXFKEZNVSA-N 1 3 373.566 3.305 20 0 FGADHO O=C(CN1CCC(OCCN2CCCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000532590066 504703914 /nfs/dbraw/zinc/70/39/14/504703914.db2.gz DKCVDOORZHONMI-UHFFFAOYSA-N 1 3 374.569 3.349 20 0 FGADHO O[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)CN1CCCC1 ZINC000546163980 504730906 /nfs/dbraw/zinc/73/09/06/504730906.db2.gz UWECTDPGXUTHOZ-WOJBJXKFSA-N 1 3 359.901 3.065 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000539932586 504741882 /nfs/dbraw/zinc/74/18/82/504741882.db2.gz SVADYIDNWZTRTA-RXVVDRJESA-N 1 3 373.541 3.213 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1CN1CCCCC1)CC(C)C ZINC000521522322 504752552 /nfs/dbraw/zinc/75/25/52/504752552.db2.gz XZGVGXFNVZQILB-VQTJNVASSA-N 1 3 366.594 3.403 20 0 FGADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000521587616 504760541 /nfs/dbraw/zinc/76/05/41/504760541.db2.gz JDWDPFKXLDLLLT-ZCNNSNEGSA-N 1 3 371.569 3.381 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000521587616 504760545 /nfs/dbraw/zinc/76/05/45/504760545.db2.gz JDWDPFKXLDLLLT-ZCNNSNEGSA-N 1 3 371.569 3.381 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)[C@@H](O)C(C)C)CC1 ZINC000532828701 504764848 /nfs/dbraw/zinc/76/48/48/504764848.db2.gz LUZWBQWZLKTUEQ-NRFANRHFSA-N 1 3 361.574 3.351 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000565037415 504777479 /nfs/dbraw/zinc/77/74/79/504777479.db2.gz RMZXPQKPGYPKAH-NRSPTQNISA-N 1 3 370.541 3.067 20 0 FGADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC000565172873 504816594 /nfs/dbraw/zinc/81/65/94/504816594.db2.gz PTMHJBLQPKDUFB-UHFFFAOYSA-N 1 3 361.505 3.375 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000553368386 504896262 /nfs/dbraw/zinc/89/62/62/504896262.db2.gz FIIOFQAWRVSCKR-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000553368386 504896266 /nfs/dbraw/zinc/89/62/66/504896266.db2.gz FIIOFQAWRVSCKR-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000565559714 504922356 /nfs/dbraw/zinc/92/23/56/504922356.db2.gz RRIJSDSNQPVBDI-LPHOPBHVSA-N 1 3 363.546 3.359 20 0 FGADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525481 504940220 /nfs/dbraw/zinc/94/02/20/504940220.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000553525481 504940224 /nfs/dbraw/zinc/94/02/24/504940224.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772515 504940324 /nfs/dbraw/zinc/94/03/24/504940324.db2.gz DVMYIQUHPYTKGI-HZPDHXFCSA-N 1 3 374.529 3.047 20 0 FGADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000562939784 504994834 /nfs/dbraw/zinc/99/48/34/504994834.db2.gz WFNMNRHTTPEQFK-GLOJMNGXSA-N 1 3 369.553 3.168 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1)C1CC1 ZINC000553774983 505006039 /nfs/dbraw/zinc/00/60/39/505006039.db2.gz PKQHTZXQCKLECW-DYESRHJHSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553892954 505035384 /nfs/dbraw/zinc/03/53/84/505035384.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553892954 505035388 /nfs/dbraw/zinc/03/53/88/505035388.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CCCC2)cc1C ZINC000566089338 505077572 /nfs/dbraw/zinc/07/75/72/505077572.db2.gz ZVSORZSDUHPHBP-MISYRCLQSA-N 1 3 373.541 3.144 20 0 FGADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CCCC2)cc1C ZINC000566089338 505077575 /nfs/dbraw/zinc/07/75/75/505077575.db2.gz ZVSORZSDUHPHBP-MISYRCLQSA-N 1 3 373.541 3.144 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000554087405 505085409 /nfs/dbraw/zinc/08/54/09/505085409.db2.gz AUKZFTCWSZDSJC-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000554087405 505085412 /nfs/dbraw/zinc/08/54/12/505085412.db2.gz AUKZFTCWSZDSJC-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000554087405 505085415 /nfs/dbraw/zinc/08/54/15/505085415.db2.gz AUKZFTCWSZDSJC-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO C[C@H]1CC2(CN1C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209644 505113101 /nfs/dbraw/zinc/11/31/01/505113101.db2.gz UUBSEIWAEICJRN-HKUYNNGSSA-N 1 3 373.516 3.028 20 0 FGADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352334 505117472 /nfs/dbraw/zinc/11/74/72/505117472.db2.gz CBPZEKFOZXLEOC-CABCVRRESA-N 1 3 350.890 3.083 20 0 FGADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352334 505117474 /nfs/dbraw/zinc/11/74/74/505117474.db2.gz CBPZEKFOZXLEOC-CABCVRRESA-N 1 3 350.890 3.083 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245799 505122367 /nfs/dbraw/zinc/12/23/67/505122367.db2.gz SYWHPNPFUXIMCW-CWLKWCNXSA-N 1 3 363.933 3.227 20 0 FGADHO C[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000560548097 505122502 /nfs/dbraw/zinc/12/25/02/505122502.db2.gz KTTQGUKYYBRDBR-YESZJQIVSA-N 1 3 352.320 3.323 20 0 FGADHO C[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000560548097 505122506 /nfs/dbraw/zinc/12/25/06/505122506.db2.gz KTTQGUKYYBRDBR-YESZJQIVSA-N 1 3 352.320 3.323 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245800 505122702 /nfs/dbraw/zinc/12/27/02/505122702.db2.gz SYWHPNPFUXIMCW-LAQRGFTBSA-N 1 3 363.933 3.227 20 0 FGADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245357 505123065 /nfs/dbraw/zinc/12/30/65/505123065.db2.gz OEWBROHIMHHFCK-NXHRZFHOSA-N 1 3 363.933 3.181 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1 ZINC000563375891 505125647 /nfs/dbraw/zinc/12/56/47/505125647.db2.gz GSTJOOLSMYAUBL-QGZVFWFLSA-N 1 3 369.513 3.071 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1 ZINC000563375891 505125649 /nfs/dbraw/zinc/12/56/49/505125649.db2.gz GSTJOOLSMYAUBL-QGZVFWFLSA-N 1 3 369.513 3.071 20 0 FGADHO C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556402 505125660 /nfs/dbraw/zinc/12/56/60/505125660.db2.gz BNBFIIOKPCBXMM-QUGAMOGWSA-N 1 3 374.550 3.356 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)N(C)C ZINC000554255261 505126929 /nfs/dbraw/zinc/12/69/29/505126929.db2.gz RBDXTFXTVIMHHL-MJGOQNOKSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000563466785 505147929 /nfs/dbraw/zinc/14/79/29/505147929.db2.gz IDHSFKBKEBIOPD-ROUUACIJSA-N 1 3 374.529 3.142 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000554443908 505174798 /nfs/dbraw/zinc/17/47/98/505174798.db2.gz VFZZKVABLICDCI-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1ccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)cc1 ZINC000566555963 505204898 /nfs/dbraw/zinc/20/48/98/505204898.db2.gz CDHNUCBMBCJNMQ-LJQANCHMSA-N 1 3 374.550 3.298 20 0 FGADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000560917116 505211028 /nfs/dbraw/zinc/21/10/28/505211028.db2.gz FDBUTPWMBHPYDC-KVJIRVJXSA-N 1 3 358.526 3.122 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592510 505263335 /nfs/dbraw/zinc/26/33/35/505263335.db2.gz QMUYLZOMIHVISV-GJZGRUSLSA-N 1 3 358.267 3.254 20 0 FGADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881272 505265796 /nfs/dbraw/zinc/26/57/96/505265796.db2.gz FDPWHKLUVVXKDJ-BEFAXECRSA-N 1 3 358.511 3.144 20 0 FGADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881272 505265798 /nfs/dbraw/zinc/26/57/98/505265798.db2.gz FDPWHKLUVVXKDJ-BEFAXECRSA-N 1 3 358.511 3.144 20 0 FGADHO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554856264 505282928 /nfs/dbraw/zinc/28/29/28/505282928.db2.gz NOQJUQQNNYJOPJ-AZUAARDMSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856264 505282932 /nfs/dbraw/zinc/28/29/32/505282932.db2.gz NOQJUQQNNYJOPJ-AZUAARDMSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856264 505282937 /nfs/dbraw/zinc/28/29/37/505282937.db2.gz NOQJUQQNNYJOPJ-AZUAARDMSA-N 1 3 357.542 3.326 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882254 505289274 /nfs/dbraw/zinc/28/92/74/505289274.db2.gz JPASUJUBYWCBPS-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882254 505289278 /nfs/dbraw/zinc/28/92/78/505289278.db2.gz JPASUJUBYWCBPS-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000561449846 505349248 /nfs/dbraw/zinc/34/92/48/505349248.db2.gz LDYHRHKLYWFYRR-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)N(C)C)cc1 ZINC000567095032 505362657 /nfs/dbraw/zinc/36/26/57/505362657.db2.gz NMZFZRVBHPWXIH-IBGZPJMESA-N 1 3 370.472 3.204 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376993 505370680 /nfs/dbraw/zinc/37/06/80/505370680.db2.gz HADYWYSWFOILLD-LPHOPBHVSA-N 1 3 372.513 3.270 20 0 FGADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054193 505384043 /nfs/dbraw/zinc/38/40/43/505384043.db2.gz NSEWAOBLBRQLCB-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO C[N@H+]1CC[C@@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054193 505384046 /nfs/dbraw/zinc/38/40/46/505384046.db2.gz NSEWAOBLBRQLCB-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO Clc1ccc([C@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581139 505505541 /nfs/dbraw/zinc/50/55/41/505505541.db2.gz YXUANEAOJJLURV-DOTOQJQBSA-N 1 3 359.905 3.351 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3ccccc3C)CC2)CC1 ZINC000567626861 505518518 /nfs/dbraw/zinc/51/85/18/505518518.db2.gz ZCJUKNGESYXFGT-UHFFFAOYSA-N 1 3 371.569 3.192 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000567678927 505533197 /nfs/dbraw/zinc/53/31/97/505533197.db2.gz DZXIHCQZMBOKKR-GOSISDBHSA-N 1 3 354.922 3.070 20 0 FGADHO C/C=C/c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567690109 505537729 /nfs/dbraw/zinc/53/77/29/505537729.db2.gz YLMMCCHXXXNWQY-OGOPWIGYSA-N 1 3 374.525 3.073 20 0 FGADHO C/C=C/c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690109 505537733 /nfs/dbraw/zinc/53/77/33/505537733.db2.gz YLMMCCHXXXNWQY-OGOPWIGYSA-N 1 3 374.525 3.073 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000558971029 505541964 /nfs/dbraw/zinc/54/19/64/505541964.db2.gz ADSNJSDOZUWCAW-SFHVURJKSA-N 1 3 351.922 3.179 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818318 505559543 /nfs/dbraw/zinc/55/95/43/505559543.db2.gz JZXMLSBRJNCRCS-NQIIRXRSSA-N 1 3 373.541 3.069 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818318 505559545 /nfs/dbraw/zinc/55/95/45/505559545.db2.gz JZXMLSBRJNCRCS-NQIIRXRSSA-N 1 3 373.541 3.069 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818320 505559701 /nfs/dbraw/zinc/55/97/01/505559701.db2.gz JZXMLSBRJNCRCS-WIYYLYMNSA-N 1 3 373.541 3.069 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818320 505559703 /nfs/dbraw/zinc/55/97/03/505559703.db2.gz JZXMLSBRJNCRCS-WIYYLYMNSA-N 1 3 373.541 3.069 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000564938735 505561882 /nfs/dbraw/zinc/56/18/82/505561882.db2.gz SHCXGVQJODUBHH-UEXGIBASSA-N 1 3 372.557 3.012 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000564938735 505561884 /nfs/dbraw/zinc/56/18/84/505561884.db2.gz SHCXGVQJODUBHH-UEXGIBASSA-N 1 3 372.557 3.012 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000567819462 505565804 /nfs/dbraw/zinc/56/58/04/505565804.db2.gz MBZFZJQYBJOCOY-GOSISDBHSA-N 1 3 360.527 3.089 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000589221103 506491007 /nfs/dbraw/zinc/49/10/07/506491007.db2.gz OZOWRKCTTRRQHF-MRXNPFEDSA-N 1 3 368.953 3.144 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000589221103 506491013 /nfs/dbraw/zinc/49/10/13/506491013.db2.gz OZOWRKCTTRRQHF-MRXNPFEDSA-N 1 3 368.953 3.144 20 0 FGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccccc1I ZINC000593323029 506539592 /nfs/dbraw/zinc/53/95/92/506539592.db2.gz OMCLPTLRTPZGBB-GFCCVEGCSA-N 1 3 358.267 3.332 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000583116757 506596942 /nfs/dbraw/zinc/59/69/42/506596942.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000583116757 506596951 /nfs/dbraw/zinc/59/69/51/506596951.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608624035 506637034 /nfs/dbraw/zinc/63/70/34/506637034.db2.gz CDLLLKXSAQHVDW-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590078972 506727443 /nfs/dbraw/zinc/72/74/43/506727443.db2.gz MJJHOAANWVNUTN-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590078972 506727450 /nfs/dbraw/zinc/72/74/50/506727450.db2.gz MJJHOAANWVNUTN-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000583348830 506729491 /nfs/dbraw/zinc/72/94/91/506729491.db2.gz HDIGZCMBQWLPKC-CABCVRRESA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000583348830 506729498 /nfs/dbraw/zinc/72/94/98/506729498.db2.gz HDIGZCMBQWLPKC-CABCVRRESA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000583348830 506729506 /nfs/dbraw/zinc/72/95/06/506729506.db2.gz HDIGZCMBQWLPKC-CABCVRRESA-N 1 3 367.921 3.386 20 0 FGADHO CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)C1CCC1 ZINC000597256812 506865991 /nfs/dbraw/zinc/86/59/91/506865991.db2.gz HGHVHECRMHWQEH-IBGZPJMESA-N 1 3 359.514 3.398 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594105050 506940913 /nfs/dbraw/zinc/94/09/13/506940913.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594105050 506940918 /nfs/dbraw/zinc/94/09/18/506940918.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000604786642 506942718 /nfs/dbraw/zinc/94/27/18/506942718.db2.gz FRTYDTXKBRCWNC-AZUAARDMSA-N 1 3 361.505 3.027 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000583744912 506948639 /nfs/dbraw/zinc/94/86/39/506948639.db2.gz MSARTMUVYOVSHU-UHFFFAOYSA-N 1 3 369.553 3.198 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)oc1C ZINC000583746942 506949637 /nfs/dbraw/zinc/94/96/37/506949637.db2.gz BGUPLSGRGKGNSN-UXHICEINSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1nc(CN2CCC(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)oc1C ZINC000583746942 506949649 /nfs/dbraw/zinc/94/96/49/506949649.db2.gz BGUPLSGRGKGNSN-UXHICEINSA-N 1 3 354.498 3.238 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(cccc2Cl)s1 ZINC000590817447 506978648 /nfs/dbraw/zinc/97/86/48/506978648.db2.gz RVPZDSZENOTZBD-UHFFFAOYSA-N 1 3 353.919 3.120 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590819065 506980083 /nfs/dbraw/zinc/98/00/83/506980083.db2.gz XUHULYFSQDZUBT-IBGZPJMESA-N 1 3 359.558 3.476 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590819065 506980090 /nfs/dbraw/zinc/98/00/90/506980090.db2.gz XUHULYFSQDZUBT-IBGZPJMESA-N 1 3 359.558 3.476 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600980884 507213927 /nfs/dbraw/zinc/21/39/27/507213927.db2.gz MPDDPVWBAZHXJP-UGKGYDQZSA-N 1 3 371.569 3.319 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000584323904 507278884 /nfs/dbraw/zinc/27/88/84/507278884.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000584323904 507278890 /nfs/dbraw/zinc/27/88/90/507278890.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000601285106 507321733 /nfs/dbraw/zinc/32/17/33/507321733.db2.gz ZIBILFNKTFNLRM-LJQANCHMSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000584491723 507373936 /nfs/dbraw/zinc/37/39/36/507373936.db2.gz XWWJHZQKCTWDOY-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000584491723 507373940 /nfs/dbraw/zinc/37/39/40/507373940.db2.gz XWWJHZQKCTWDOY-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000606662117 507473519 /nfs/dbraw/zinc/47/35/19/507473519.db2.gz NRENYMFZUIIMRA-GHTZIAJQSA-N 1 3 372.557 3.161 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666935 507474402 /nfs/dbraw/zinc/47/44/02/507474402.db2.gz VQAQAPOTVQKYSS-PZJWPPBQSA-N 1 3 374.573 3.411 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666935 507474407 /nfs/dbraw/zinc/47/44/07/507474407.db2.gz VQAQAPOTVQKYSS-PZJWPPBQSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606701062 507487927 /nfs/dbraw/zinc/48/79/27/507487927.db2.gz VJASYOQLHUTTNU-SFHVURJKSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274399 507599253 /nfs/dbraw/zinc/59/92/53/507599253.db2.gz UBEIAGLTHZJLOP-LJQANCHMSA-N 1 3 374.525 3.325 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000643255239 568404552 /nfs/dbraw/zinc/40/45/52/568404552.db2.gz ACJHKSZWKWARII-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000643255239 568404553 /nfs/dbraw/zinc/40/45/53/568404553.db2.gz ACJHKSZWKWARII-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054540 724385210 /nfs/dbraw/zinc/38/52/10/724385210.db2.gz PZIOUIUIJNMXGZ-SQNIBIBYSA-N 1 3 353.551 3.342 20 0 FGADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536968 609338152 /nfs/dbraw/zinc/33/81/52/609338152.db2.gz BJKNIDVEFXZMHH-ODIFPOPNSA-N 1 3 372.492 3.454 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nc(C)cs2)CC1 ZINC000088679942 700380754 /nfs/dbraw/zinc/38/07/54/700380754.db2.gz RIJURQIQQYDYEG-UHFFFAOYSA-N 1 3 358.555 3.316 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000123114096 700700271 /nfs/dbraw/zinc/70/02/71/700700271.db2.gz OKBWXXQWXXOKFG-KURKYZTESA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000123114096 700700272 /nfs/dbraw/zinc/70/02/72/700700272.db2.gz OKBWXXQWXXOKFG-KURKYZTESA-N 1 3 353.551 3.390 20 0 FGADHO CC1CCN(CCC[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195185805 713548305 /nfs/dbraw/zinc/54/83/05/713548305.db2.gz NPCTZLULTVXUND-FQEVSTJZSA-N 1 3 353.551 3.345 20 0 FGADHO Cc1ncc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000237722128 713596491 /nfs/dbraw/zinc/59/64/91/713596491.db2.gz BTXANPHPSSUNHO-UHFFFAOYSA-N 1 3 358.555 3.452 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043069 713662920 /nfs/dbraw/zinc/66/29/20/713662920.db2.gz VGLOXKFBUGXBMZ-BZSNNMDCSA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043069 713662922 /nfs/dbraw/zinc/66/29/22/713662922.db2.gz VGLOXKFBUGXBMZ-BZSNNMDCSA-N 1 3 351.535 3.286 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000301467114 713782247 /nfs/dbraw/zinc/78/22/47/713782247.db2.gz ZQKJMRMECJNNTK-KURKYZTESA-N 1 3 353.551 3.391 20 0 FGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457570 713982153 /nfs/dbraw/zinc/98/21/53/713982153.db2.gz ZINOEYSWLKWZAW-QZTJIDSGSA-N 1 3 353.551 3.391 20 0 FGADHO O[C@@H]1[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309690 714003923 /nfs/dbraw/zinc/00/39/23/714003923.db2.gz YKNDOBXARXSSHX-XCDZQEORSA-N 1 3 350.453 3.320 20 0 FGADHO O[C@@H]1[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309690 714003924 /nfs/dbraw/zinc/00/39/24/714003924.db2.gz YKNDOBXARXSSHX-XCDZQEORSA-N 1 3 350.453 3.320 20 0 FGADHO C[C@H](N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372960 714457469 /nfs/dbraw/zinc/45/74/69/714457469.db2.gz MQKJVSBCLXZURR-LESCRADOSA-N 1 3 355.448 3.257 20 0 FGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCn1ccc2cc(Cl)ccc21 ZINC000577920115 714471071 /nfs/dbraw/zinc/47/10/71/714471071.db2.gz BMMLTEHRQNYOJX-RLLQIKCJSA-N 1 3 361.917 3.478 20 0 FGADHO Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617507459 714663549 /nfs/dbraw/zinc/66/35/49/714663549.db2.gz XKUZGYXOUMVTOC-AWEZNQCLSA-N 1 3 362.543 3.053 20 0 FGADHO Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617507459 714663550 /nfs/dbraw/zinc/66/35/50/714663550.db2.gz XKUZGYXOUMVTOC-AWEZNQCLSA-N 1 3 362.543 3.053 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438998 715336445 /nfs/dbraw/zinc/33/64/45/715336445.db2.gz RUMXXHRNLOHCLO-CQSZACIVSA-N 1 3 367.921 3.448 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438998 715336447 /nfs/dbraw/zinc/33/64/47/715336447.db2.gz RUMXXHRNLOHCLO-CQSZACIVSA-N 1 3 367.921 3.448 20 0 FGADHO CN1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472195 715343165 /nfs/dbraw/zinc/34/31/65/715343165.db2.gz HUGWUJUDWSTLCB-RPVQJOFSSA-N 1 3 367.896 3.213 20 0 FGADHO CN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478624 715344459 /nfs/dbraw/zinc/34/44/59/715344459.db2.gz RZXUCKONRWXZEY-STQMWFEESA-N 1 3 353.869 3.047 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509572 715351006 /nfs/dbraw/zinc/35/10/06/715351006.db2.gz JEJFFZAHRFVRKL-HOTGVXAUSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509572 715351013 /nfs/dbraw/zinc/35/10/13/715351013.db2.gz JEJFFZAHRFVRKL-HOTGVXAUSA-N 1 3 366.347 3.490 20 0 FGADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(N)CCOCC3)s2)cc1 ZINC000629521639 716302785 /nfs/dbraw/zinc/30/27/85/716302785.db2.gz PRTDJISEOFSSPW-CYBMUJFWSA-N 1 3 361.511 3.286 20 0 FGADHO O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)CN1CCCC1 ZINC000629574495 716310974 /nfs/dbraw/zinc/31/09/74/716310974.db2.gz JUWNIJJPVQQANP-KRWDZBQOSA-N 1 3 365.930 3.052 20 0 FGADHO C[NH2+]CCOCCN(C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629653283 716329567 /nfs/dbraw/zinc/32/95/67/716329567.db2.gz JZOCGWJIZDIHIU-UHFFFAOYSA-N 1 3 369.225 3.136 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000638460135 717448975 /nfs/dbraw/zinc/44/89/75/717448975.db2.gz SHWZWFIFFQJATH-UHFFFAOYSA-N 1 3 371.356 3.224 20 0 FGADHO COc1nsc(CNC2CCC(C[NH+](C)C)CC2)c1Br ZINC000638780440 717485853 /nfs/dbraw/zinc/48/58/53/717485853.db2.gz QDWHDZIZBPCABL-UHFFFAOYSA-N 1 3 362.337 3.124 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583855 718128500 /nfs/dbraw/zinc/12/85/00/718128500.db2.gz ZIAQIMLUHZQALW-KFWWJZLASA-N 1 3 361.313 3.196 20 0 FGADHO C[NH+]1CCC(CNCc2cc(OC(F)F)ccc2Br)CC1 ZINC000647179657 718338008 /nfs/dbraw/zinc/33/80/08/718338008.db2.gz KBOGWUGEPRHRDG-UHFFFAOYSA-N 1 3 363.246 3.482 20 0 FGADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000648714238 718445934 /nfs/dbraw/zinc/44/59/34/718445934.db2.gz QIJXQUHEXJFVNJ-FQEVSTJZSA-N 1 3 362.901 3.446 20 0 FGADHO CC[C@@]1(NCc2cc(C[NH2+][C@]3(CC)CCOC3)ccc2F)CCOC1 ZINC000649482969 718520178 /nfs/dbraw/zinc/52/01/78/718520178.db2.gz XMPMPDWAJOCHLE-WOJBJXKFSA-N 1 3 350.478 3.143 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536702 /nfs/dbraw/zinc/53/67/02/718536702.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 1 3 363.571 3.213 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536707 /nfs/dbraw/zinc/53/67/07/718536707.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 1 3 363.571 3.213 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000649949281 718593142 /nfs/dbraw/zinc/59/31/42/718593142.db2.gz VNAXVXUMKUJGLW-HUUCEWRRSA-N 1 3 358.404 3.477 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705339 718853269 /nfs/dbraw/zinc/85/32/69/718853269.db2.gz PJVKVXWEUVXDBU-PBHICJAKSA-N 1 3 353.913 3.330 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CCN ZINC000652354267 718935722 /nfs/dbraw/zinc/93/57/22/718935722.db2.gz RJBVKJLBEQMULB-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CCN ZINC000652354267 718935725 /nfs/dbraw/zinc/93/57/25/718935725.db2.gz RJBVKJLBEQMULB-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354267 718935727 /nfs/dbraw/zinc/93/57/27/718935727.db2.gz RJBVKJLBEQMULB-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000657888206 719725322 /nfs/dbraw/zinc/72/53/22/719725322.db2.gz PIMSBSQUHZLWCV-MRXNPFEDSA-N 1 3 373.310 3.332 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658308249 719783560 /nfs/dbraw/zinc/78/35/60/719783560.db2.gz CVVXDHWYALHUAN-SLYNCCJLSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151190 720384348 /nfs/dbraw/zinc/38/43/48/720384348.db2.gz FTVXWLLIYVOYTB-KBXCAEBGSA-N 1 3 356.432 3.340 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450623 720516008 /nfs/dbraw/zinc/51/60/08/720516008.db2.gz KGEHIUPHVINNFJ-HZPDHXFCSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450623 720516010 /nfs/dbraw/zinc/51/60/10/720516010.db2.gz KGEHIUPHVINNFJ-HZPDHXFCSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000663452501 720516613 /nfs/dbraw/zinc/51/66/13/720516613.db2.gz ZKICJIRBHGCYOU-JKSUJKDBSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000663452501 720516615 /nfs/dbraw/zinc/51/66/15/720516615.db2.gz ZKICJIRBHGCYOU-JKSUJKDBSA-N 1 3 364.559 3.057 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000667733576 721165763 /nfs/dbraw/zinc/16/57/63/721165763.db2.gz JMQRTKBANZCQPM-GOSISDBHSA-N 1 3 358.511 3.292 20 0 FGADHO C[C@@H](N[C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773011 722047642 /nfs/dbraw/zinc/04/76/42/722047642.db2.gz QFBDQVJAHHKPPS-CXAGYDPISA-N 1 3 355.320 3.193 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505175 723518284 /nfs/dbraw/zinc/51/82/84/723518284.db2.gz UMKSHZPMFYNLHD-INIZCTEOSA-N 1 3 360.420 3.471 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@@H+]1CCC[C@H]1C ZINC000766270232 723565442 /nfs/dbraw/zinc/56/54/42/723565442.db2.gz PKXXSNOHJGBARD-UONOGXRCSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@H+]1CCC[C@H]1C ZINC000766270232 723565443 /nfs/dbraw/zinc/56/54/43/723565443.db2.gz PKXXSNOHJGBARD-UONOGXRCSA-N 1 3 353.894 3.140 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000812720387 726806678 /nfs/dbraw/zinc/80/66/78/726806678.db2.gz FAOIPAFPKQAFIT-BDXSIMOUSA-N 1 3 353.551 3.484 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)nc(Cl)c3)CC2)CC1 ZINC000817284981 727236002 /nfs/dbraw/zinc/23/60/02/727236002.db2.gz CSCTVKDMNCIXIE-UHFFFAOYSA-N 1 3 350.938 3.035 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nc3ccccc3s2)CC[NH2+]CC1 ZINC000817894680 727287281 /nfs/dbraw/zinc/28/72/81/727287281.db2.gz PNSHEFSOJQZAJS-UONOGXRCSA-N 1 3 361.511 3.268 20 0 FGADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818967367 727332032 /nfs/dbraw/zinc/33/20/32/727332032.db2.gz UHAPXRGFIHNCFI-QGZVFWFLSA-N 1 3 371.294 3.086 20 0 FGADHO C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)CN1CCCC1 ZINC000823671426 729297617 /nfs/dbraw/zinc/29/76/17/729297617.db2.gz OFTAQWJXMFOEQR-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823736475 729301851 /nfs/dbraw/zinc/30/18/51/729301851.db2.gz CNYUQLGSXCHQEI-RCCFBDPRSA-N 1 3 353.551 3.344 20 0 FGADHO Cc1ccc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)c(CN(C)C)c1 ZINC000829612334 729495450 /nfs/dbraw/zinc/49/54/50/729495450.db2.gz GPIREORIJKXVFE-MRXNPFEDSA-N 1 3 360.889 3.442 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513354 729808859 /nfs/dbraw/zinc/80/88/59/729808859.db2.gz KYBYIXLCGXZHLA-ZJPYXAASSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513354 729808862 /nfs/dbraw/zinc/80/88/62/729808862.db2.gz KYBYIXLCGXZHLA-ZJPYXAASSA-N 1 3 351.535 3.381 20 0 FGADHO CC(C)(C)OC(=O)N1CCC2(CCN(C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000843127528 730589279 /nfs/dbraw/zinc/58/92/79/730589279.db2.gz DPFCLXXNIXRUMK-LJQANCHMSA-N 1 3 351.535 3.099 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108038 731230138 /nfs/dbraw/zinc/23/01/38/731230138.db2.gz VDAMUGVWBCNRDT-XJKSGUPXSA-N 1 3 356.436 3.407 20 0 FGADHO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200913 735736846 /nfs/dbraw/zinc/73/68/46/735736846.db2.gz NOKDAWBFHWWZKY-AWEZNQCLSA-N 1 3 353.495 3.168 20 0 FGADHO O=C(CC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)NC1CCCC1 ZINC000873203531 735737340 /nfs/dbraw/zinc/73/73/40/735737340.db2.gz HMJVDPHKQXTVEF-UHFFFAOYSA-N 1 3 361.555 3.055 20 0 FGADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292598 735747178 /nfs/dbraw/zinc/74/71/78/735747178.db2.gz UQJBHXDYJLFPMZ-GXTWGEPZSA-N 1 3 358.404 3.236 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@@H]1C(F)(F)F ZINC000893094412 742109021 /nfs/dbraw/zinc/10/90/21/742109021.db2.gz JQTMHSPNFHGMFD-CWVYHPPDSA-N 1 3 364.452 3.359 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791331 743775803 /nfs/dbraw/zinc/77/58/03/743775803.db2.gz UMLQLXORSZMLOR-CABCVRRESA-N 1 3 358.452 3.025 20 0 FGADHO Cc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000903761573 743881572 /nfs/dbraw/zinc/88/15/72/743881572.db2.gz WICYGNQTJNNFIP-DLBZAZTESA-N 1 3 367.331 3.476 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790658 743884316 /nfs/dbraw/zinc/88/43/16/743884316.db2.gz ULFLIFSJDLHKGG-NVXWUHKLSA-N 1 3 363.571 3.497 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCCNC3)C[C@@H]2C1 ZINC000904372090 743949921 /nfs/dbraw/zinc/94/99/21/743949921.db2.gz YIDQXEBIVDIDCJ-VIPLHTEESA-N 1 3 351.535 3.001 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391537 758911328 /nfs/dbraw/zinc/91/13/28/758911328.db2.gz WIYVYWQAORYLRH-LMSBXDPUSA-N 1 3 372.340 3.145 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391537 758911329 /nfs/dbraw/zinc/91/13/29/758911329.db2.gz WIYVYWQAORYLRH-LMSBXDPUSA-N 1 3 372.340 3.145 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393607 758912762 /nfs/dbraw/zinc/91/27/62/758912762.db2.gz MLGTYMRYLFNWBA-YWTNHNAXSA-N 1 3 351.922 3.003 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393607 758912768 /nfs/dbraw/zinc/91/27/68/758912768.db2.gz MLGTYMRYLFNWBA-YWTNHNAXSA-N 1 3 351.922 3.003 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CNC3CCC(C)([NH+]4CCC4)CC3)cc12 ZINC000922848502 759014851 /nfs/dbraw/zinc/01/48/51/759014851.db2.gz UYJZIFSNLZVBFZ-UHFFFAOYSA-N 1 3 361.921 3.427 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476290 759494570 /nfs/dbraw/zinc/49/45/70/759494570.db2.gz HIWITYGNVXSWAA-BPSIQINWSA-N 1 3 364.331 3.146 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925777857 759536022 /nfs/dbraw/zinc/53/60/22/759536022.db2.gz QZKJAGRXZZHMEA-XKQJLSEDSA-N 1 3 352.425 3.003 20 0 FGADHO CC(C)[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853153 759559031 /nfs/dbraw/zinc/55/90/31/759559031.db2.gz FIFGDSXROZRTDB-PBHICJAKSA-N 1 3 350.890 3.312 20 0 FGADHO CC[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857312 759561469 /nfs/dbraw/zinc/56/14/69/759561469.db2.gz ZKAOMRUMUDPKCL-ZBFHGGJFSA-N 1 3 366.889 3.075 20 0 FGADHO FC(F)(F)[C@@H]1CCC[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762127 760451463 /nfs/dbraw/zinc/45/14/63/760451463.db2.gz DPAVEXHLRGTOIK-IRXDYDNUSA-N 1 3 364.452 3.063 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020174528 765866815 /nfs/dbraw/zinc/86/68/15/765866815.db2.gz DTWWDKBMTHIKEX-PVYRDQNTSA-N 1 3 363.933 3.368 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001020174528 765866825 /nfs/dbraw/zinc/86/68/25/765866825.db2.gz DTWWDKBMTHIKEX-PVYRDQNTSA-N 1 3 363.933 3.368 20 0 FGADHO [NH3+][C@H](CCC(=O)NC1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000573602665 505576343 /nfs/dbraw/zinc/57/63/43/505576343.db2.gz SQFYMVKSHAQSOC-JOCHJYFZSA-N 1 3 365.521 3.290 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000573637236 505584070 /nfs/dbraw/zinc/58/40/70/505584070.db2.gz JWASGZKISBIVAN-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000573647692 505585958 /nfs/dbraw/zinc/58/59/58/505585958.db2.gz RDIKGIBOFOLBGA-FYXHJSOBSA-N 1 3 368.468 3.374 20 0 FGADHO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755535 505587177 /nfs/dbraw/zinc/58/71/77/505587177.db2.gz OPZIBIUZRFELBQ-LVCYWYKZSA-N 1 3 367.468 3.437 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(I)c1 ZINC000570857073 505596722 /nfs/dbraw/zinc/59/67/22/505596722.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc(I)c1 ZINC000570857073 505596727 /nfs/dbraw/zinc/59/67/27/505596727.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 1 3 358.267 3.063 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867307 505599011 /nfs/dbraw/zinc/59/90/11/505599011.db2.gz QURDMYRZGQRZEJ-HKUYNNGSSA-N 1 3 354.498 3.166 20 0 FGADHO C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576882965 505615747 /nfs/dbraw/zinc/61/57/47/505615747.db2.gz OSQUGVOWUYMOMD-NQIIRXRSSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H](NCCNC(=O)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882965 505615750 /nfs/dbraw/zinc/61/57/50/505615750.db2.gz OSQUGVOWUYMOMD-NQIIRXRSSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H](NCCNC(=O)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882965 505615752 /nfs/dbraw/zinc/61/57/52/505615752.db2.gz OSQUGVOWUYMOMD-NQIIRXRSSA-N 1 3 357.542 3.183 20 0 FGADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964359 505621648 /nfs/dbraw/zinc/62/16/48/505621648.db2.gz PXHCGIRJKRVSFQ-GIWBLDEGSA-N 1 3 369.553 3.356 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000579877473 505637071 /nfs/dbraw/zinc/63/70/71/505637071.db2.gz LYFZSMSLCIZFDH-SFHVURJKSA-N 1 3 371.569 3.444 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068200174 493776966 /nfs/dbraw/zinc/77/69/66/493776966.db2.gz LJHLLUSIWITZMV-SFHVURJKSA-N 1 3 361.505 3.027 20 0 FGADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000081248599 493851866 /nfs/dbraw/zinc/85/18/66/493851866.db2.gz AIXBBAOUMJSIIU-NRFANRHFSA-N 1 3 357.542 3.060 20 0 FGADHO Cc1[nH]c2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2c1C ZINC000050800063 493935732 /nfs/dbraw/zinc/93/57/32/493935732.db2.gz LVEUGOTZZJSWFQ-UHFFFAOYSA-N 1 3 368.525 3.073 20 0 FGADHO CC(C)[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000061943515 493998985 /nfs/dbraw/zinc/99/89/85/493998985.db2.gz ILXJGPXSCYBSHH-NRFANRHFSA-N 1 3 374.573 3.304 20 0 FGADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358859 494116815 /nfs/dbraw/zinc/11/68/15/494116815.db2.gz DPZUQMRDMQURSB-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085418359 494123629 /nfs/dbraw/zinc/12/36/29/494123629.db2.gz USIKSMJCTHTUIK-SFHVURJKSA-N 1 3 374.573 3.269 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(C)nc2)CC1 ZINC000088719323 494256487 /nfs/dbraw/zinc/25/64/87/494256487.db2.gz FFMQBGNNUHTCBB-UHFFFAOYSA-N 1 3 352.526 3.254 20 0 FGADHO O=C(CC1CCCCC1)NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000089666706 494341382 /nfs/dbraw/zinc/34/13/82/494341382.db2.gz BTBPFFCMVSQTPV-UHFFFAOYSA-N 1 3 371.569 3.370 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773593 494426531 /nfs/dbraw/zinc/42/65/31/494426531.db2.gz JZCRVDMBUVNADG-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000090028841 494431456 /nfs/dbraw/zinc/43/14/56/494431456.db2.gz OYLROXFIVFLJEA-MRXNPFEDSA-N 1 3 357.523 3.425 20 0 FGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038559 494431702 /nfs/dbraw/zinc/43/17/02/494431702.db2.gz ZBYKYGOHQRTTCR-QGZVFWFLSA-N 1 3 371.500 3.228 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000090173566 494453024 /nfs/dbraw/zinc/45/30/24/494453024.db2.gz XDNKKZVOXPZXNE-UHFFFAOYSA-N 1 3 374.525 3.168 20 0 FGADHO CCOC(=O)COc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000090173566 494453030 /nfs/dbraw/zinc/45/30/30/494453030.db2.gz XDNKKZVOXPZXNE-UHFFFAOYSA-N 1 3 374.525 3.168 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796642 494564683 /nfs/dbraw/zinc/56/46/83/494564683.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796642 494564688 /nfs/dbraw/zinc/56/46/88/494564688.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080115008 494603147 /nfs/dbraw/zinc/60/31/47/494603147.db2.gz YTUYTPDWXMVUKJ-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080166439 494622983 /nfs/dbraw/zinc/62/29/83/494622983.db2.gz ONZNUTMCLJUZJK-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000115813814 494629231 /nfs/dbraw/zinc/62/92/31/494629231.db2.gz APTJRHPKVSMNKG-TZIWHRDSSA-N 1 3 372.557 3.115 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000115813814 494629237 /nfs/dbraw/zinc/62/92/37/494629237.db2.gz APTJRHPKVSMNKG-TZIWHRDSSA-N 1 3 372.557 3.115 20 0 FGADHO CN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074875283 494635566 /nfs/dbraw/zinc/63/55/66/494635566.db2.gz VZGLJTBHHLXYJN-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccc(C)c(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420614 494703840 /nfs/dbraw/zinc/70/38/40/494703840.db2.gz PDBAHBAOCDWARY-NRFANRHFSA-N 1 3 365.521 3.291 20 0 FGADHO Cc1ccc(C)c(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420614 494703850 /nfs/dbraw/zinc/70/38/50/494703850.db2.gz PDBAHBAOCDWARY-NRFANRHFSA-N 1 3 365.521 3.291 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(C(C)(C)C)CC3)CC2)CC1 ZINC000580344084 505737156 /nfs/dbraw/zinc/73/71/56/505737156.db2.gz HISNQOBZJQWLLZ-UHFFFAOYSA-N 1 3 361.574 3.388 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCCN(C)C3)cc2)CC1 ZINC000108549537 494735908 /nfs/dbraw/zinc/73/59/08/494735908.db2.gz GYAHJQGBONCWFH-OAQYLSRUSA-N 1 3 372.557 3.060 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000092821069 494763878 /nfs/dbraw/zinc/76/38/78/494763878.db2.gz UMXMHIATFIYVJB-QFIPXVFZSA-N 1 3 353.510 3.224 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000092821069 494763884 /nfs/dbraw/zinc/76/38/84/494763884.db2.gz UMXMHIATFIYVJB-QFIPXVFZSA-N 1 3 353.510 3.224 20 0 FGADHO C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821425 494763980 /nfs/dbraw/zinc/76/39/80/494763980.db2.gz XXMNYDXYYOAGFV-RXVVDRJESA-N 1 3 372.557 3.315 20 0 FGADHO CC[C@@H]1CCCCN1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821090 494764243 /nfs/dbraw/zinc/76/42/43/494764243.db2.gz HOSYXGIKTXENQN-HXUWFJFHSA-N 1 3 372.557 3.411 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662215 494813217 /nfs/dbraw/zinc/81/32/17/494813217.db2.gz CHFYNXZIYVXUTQ-AZUAARDMSA-N 1 3 373.541 3.201 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000127291707 494923340 /nfs/dbraw/zinc/92/33/40/494923340.db2.gz PEIPOFNZBMHUIU-YLJYHZDGSA-N 1 3 372.557 3.212 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000122124421 494927117 /nfs/dbraw/zinc/92/71/17/494927117.db2.gz NPUGBZSMXLSZNG-VSKRKVRLSA-N 1 3 370.537 3.081 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(C(F)F)CC3)CC2)CC1 ZINC000574339152 505750676 /nfs/dbraw/zinc/75/06/76/505750676.db2.gz NBMWVTNWBZMHRW-UHFFFAOYSA-N 1 3 371.516 3.123 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CN1C1CC1 ZINC000127460660 494947867 /nfs/dbraw/zinc/94/78/67/494947867.db2.gz DDURJXHYUMWRIL-YLJYHZDGSA-N 1 3 370.541 3.097 20 0 FGADHO CCCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000122331065 494958893 /nfs/dbraw/zinc/95/88/93/494958893.db2.gz DKCNXXZSDKHIAQ-UHFFFAOYSA-N 1 3 374.529 3.156 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000568685714 505752305 /nfs/dbraw/zinc/75/23/05/505752305.db2.gz BXOZGANOASVQOL-JOCHJYFZSA-N 1 3 371.569 3.478 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H](O)C1CCCCC1)C1CCN(C)CC1 ZINC000133770592 495060060 /nfs/dbraw/zinc/06/00/60/495060060.db2.gz KZARXKYMIUMIIL-JOCHJYFZSA-N 1 3 359.558 3.248 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000133770592 495060061 /nfs/dbraw/zinc/06/00/61/495060061.db2.gz KZARXKYMIUMIIL-JOCHJYFZSA-N 1 3 359.558 3.248 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1F ZINC000134110247 495107210 /nfs/dbraw/zinc/10/72/10/495107210.db2.gz DGJBBXIQRLGRJY-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1F ZINC000134110247 495107212 /nfs/dbraw/zinc/10/72/12/495107212.db2.gz DGJBBXIQRLGRJY-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123585245 495156248 /nfs/dbraw/zinc/15/62/48/495156248.db2.gz PLJZBERUWYCKDY-CQSZACIVSA-N 1 3 360.889 3.304 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCc1cccc(C[NH+](C)C)c1 ZINC000123585245 495156251 /nfs/dbraw/zinc/15/62/51/495156251.db2.gz PLJZBERUWYCKDY-CQSZACIVSA-N 1 3 360.889 3.304 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425339 495163986 /nfs/dbraw/zinc/16/39/86/495163986.db2.gz BQCJEXPOERXPOK-KGLIPLIRSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425339 495163990 /nfs/dbraw/zinc/16/39/90/495163990.db2.gz BQCJEXPOERXPOK-KGLIPLIRSA-N 1 3 369.431 3.496 20 0 FGADHO CCC[C@H](C)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545880 495187996 /nfs/dbraw/zinc/18/79/96/495187996.db2.gz NMOIDISFUJMMIY-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccsc1 ZINC000103304857 495216813 /nfs/dbraw/zinc/21/68/13/495216813.db2.gz NPEMWVGYMOWSQF-GOSISDBHSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103312124 495218452 /nfs/dbraw/zinc/21/84/52/495218452.db2.gz YRXPOYDKEQPVIL-PMACEKPBSA-N 1 3 364.578 3.059 20 0 FGADHO CN(CCN1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000112746953 495235763 /nfs/dbraw/zinc/23/57/63/495235763.db2.gz QIXHLXVNQKJNAC-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO CCSc1ccc(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120101201 495307734 /nfs/dbraw/zinc/30/77/34/495307734.db2.gz HNBHLZZQUDMAAI-UHFFFAOYSA-N 1 3 372.966 3.409 20 0 FGADHO CN(C(=O)NCCC1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000113615010 495321429 /nfs/dbraw/zinc/32/14/29/495321429.db2.gz YDHXDYLUJMBIKY-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120214809 495329064 /nfs/dbraw/zinc/32/90/64/495329064.db2.gz LDXWTTIVKJFQLG-NRFANRHFSA-N 1 3 351.579 3.120 20 0 FGADHO CC(C)C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000120214809 495329069 /nfs/dbraw/zinc/32/90/69/495329069.db2.gz LDXWTTIVKJFQLG-NRFANRHFSA-N 1 3 351.579 3.120 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCN1CCCCC1 ZINC000135892573 495341323 /nfs/dbraw/zinc/34/13/23/495341323.db2.gz NGTQVOZSXZSOOZ-UGKGYDQZSA-N 1 3 358.574 3.408 20 0 FGADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCN1CCCCC1 ZINC000135892573 495341325 /nfs/dbraw/zinc/34/13/25/495341325.db2.gz NGTQVOZSXZSOOZ-UGKGYDQZSA-N 1 3 358.574 3.408 20 0 FGADHO NC[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc2ccccc2c1 ZINC000571625307 505776479 /nfs/dbraw/zinc/77/64/79/505776479.db2.gz KUJPFEYWMIKRCG-OAQYLSRUSA-N 1 3 366.509 3.013 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000136375756 495376027 /nfs/dbraw/zinc/37/60/27/495376027.db2.gz ASOILZCKVPQXTP-NJDAHSKKSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000136375756 495376028 /nfs/dbraw/zinc/37/60/28/495376028.db2.gz ASOILZCKVPQXTP-NJDAHSKKSA-N 1 3 372.557 3.195 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)c1cnn(C)c1 ZINC000125323842 495426299 /nfs/dbraw/zinc/42/62/99/495426299.db2.gz YAZVYZSDZUXWDP-QFIPXVFZSA-N 1 3 369.557 3.372 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)C3CCOCC3)CC2)c1 ZINC000125342107 495429786 /nfs/dbraw/zinc/42/97/86/495429786.db2.gz CKCIUUSUXZNREL-FQEVSTJZSA-N 1 3 359.558 3.302 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000137328845 495437187 /nfs/dbraw/zinc/43/71/87/495437187.db2.gz VCCANIXLIUYPSW-UHFFFAOYSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000114908962 495441029 /nfs/dbraw/zinc/44/10/29/495441029.db2.gz JFIVYCMCDVWYJM-UHFFFAOYSA-N 1 3 374.573 3.377 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000130910024 495465219 /nfs/dbraw/zinc/46/52/19/495465219.db2.gz HSAGBWVNGNXYFV-UHFFFAOYSA-N 1 3 371.550 3.208 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782280 495483567 /nfs/dbraw/zinc/48/35/67/495483567.db2.gz MJBSHQZUABIRON-PZJWPPBQSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782280 495483569 /nfs/dbraw/zinc/48/35/69/495483569.db2.gz MJBSHQZUABIRON-PZJWPPBQSA-N 1 3 372.557 3.161 20 0 FGADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000131154474 495500030 /nfs/dbraw/zinc/50/00/30/495500030.db2.gz CNEFMPISFXQECS-AWEZNQCLSA-N 1 3 352.910 3.162 20 0 FGADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000143606004 495537005 /nfs/dbraw/zinc/53/70/05/495537005.db2.gz JDWDPFKXLDLLLT-VAMGGRTRSA-N 1 3 371.569 3.381 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154225180 495549920 /nfs/dbraw/zinc/54/99/20/495549920.db2.gz MHAFIQFSEITIGH-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000158872045 495605855 /nfs/dbraw/zinc/60/58/55/495605855.db2.gz PZCQKJDRLFOELN-FPOVZHCZSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000158872045 495605862 /nfs/dbraw/zinc/60/58/62/495605862.db2.gz PZCQKJDRLFOELN-FPOVZHCZSA-N 1 3 360.542 3.403 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602552 505794085 /nfs/dbraw/zinc/79/40/85/505794085.db2.gz JYPNHYJLZHBADH-WTIAFYNJSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602552 505794087 /nfs/dbraw/zinc/79/40/87/505794087.db2.gz JYPNHYJLZHBADH-WTIAFYNJSA-N 1 3 352.522 3.399 20 0 FGADHO C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000154503785 495637244 /nfs/dbraw/zinc/63/72/44/495637244.db2.gz FRLXSYLRSUJOQD-SFHVURJKSA-N 1 3 358.530 3.021 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000150949867 495691412 /nfs/dbraw/zinc/69/14/12/495691412.db2.gz VNHMENJUIAVQGB-SFHVURJKSA-N 1 3 351.922 3.169 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000150952708 495692287 /nfs/dbraw/zinc/69/22/87/495692287.db2.gz LJQZDIWVTUXKCK-GOSISDBHSA-N 1 3 366.347 3.052 20 0 FGADHO CC(C)C[C@@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151048446 495722977 /nfs/dbraw/zinc/72/29/77/495722977.db2.gz VWIWCXXWVNHLTM-LJQANCHMSA-N 1 3 361.574 3.351 20 0 FGADHO FC(F)Oc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173954516 495762942 /nfs/dbraw/zinc/76/29/42/495762942.db2.gz IDZTUADTPSKOMX-UHFFFAOYSA-N 1 3 354.441 3.365 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000568903315 505804918 /nfs/dbraw/zinc/80/49/18/505804918.db2.gz DAKIZANORJAKIB-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000183153862 495857687 /nfs/dbraw/zinc/85/76/87/495857687.db2.gz YPCYKCWHVFPUCA-RYTRXMBJSA-N 1 3 350.510 3.157 20 0 FGADHO CCCN1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000183206892 495880874 /nfs/dbraw/zinc/88/08/74/495880874.db2.gz JEWBGSBYHSVZHF-HXUWFJFHSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000174345209 495920364 /nfs/dbraw/zinc/92/03/64/495920364.db2.gz LLPSLASGOQCJIF-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177212668 495979344 /nfs/dbraw/zinc/97/93/44/495979344.db2.gz QYZSKMLKMZFPGT-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO CC[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183498791 496010902 /nfs/dbraw/zinc/01/09/02/496010902.db2.gz LYQDQKJQKPBWKU-FQEVSTJZSA-N 1 3 356.514 3.178 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000177302810 496010983 /nfs/dbraw/zinc/01/09/83/496010983.db2.gz GWXIQNDHOBURJD-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000171741319 496016271 /nfs/dbraw/zinc/01/62/71/496016271.db2.gz DJOLOOVSUUEHJL-OALUTQOASA-N 1 3 357.542 3.339 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171764655 496027279 /nfs/dbraw/zinc/02/72/79/496027279.db2.gz ZXJGISLYTVLDJS-KRWDZBQOSA-N 1 3 359.489 3.449 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689630 496037155 /nfs/dbraw/zinc/03/71/55/496037155.db2.gz GYKGOAWKNQBMRX-YJBOKZPZSA-N 1 3 353.576 3.283 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689630 496037160 /nfs/dbraw/zinc/03/71/60/496037160.db2.gz GYKGOAWKNQBMRX-YJBOKZPZSA-N 1 3 353.576 3.283 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000174689399 496063188 /nfs/dbraw/zinc/06/31/88/496063188.db2.gz HZDRXJXFATZMRL-IBGZPJMESA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)CCn1cccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180992740 496233692 /nfs/dbraw/zinc/23/36/92/496233692.db2.gz XRGHAJYKOKJEJR-QFIPXVFZSA-N 1 3 355.526 3.391 20 0 FGADHO CC(C)CCn1cccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180992740 496233696 /nfs/dbraw/zinc/23/36/96/496233696.db2.gz XRGHAJYKOKJEJR-QFIPXVFZSA-N 1 3 355.526 3.391 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075342 496237588 /nfs/dbraw/zinc/23/75/88/496237588.db2.gz IDZKZBIBZAUNMV-MSOLQXFVSA-N 1 3 366.575 3.257 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(OC)c(C)cc3C)CC2)CC1 ZINC000574704408 505836315 /nfs/dbraw/zinc/83/63/15/505836315.db2.gz VUUJCIJDJRFSMM-UHFFFAOYSA-N 1 3 373.541 3.447 20 0 FGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000162514198 496365392 /nfs/dbraw/zinc/36/53/92/496365392.db2.gz AHBCBFWEIQQXSR-IVCQMTBJSA-N 1 3 360.523 3.215 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(OCCN(C)C)cc1 ZINC000178204210 496368944 /nfs/dbraw/zinc/36/89/44/496368944.db2.gz YKAJVGRJIREWAM-QGZVFWFLSA-N 1 3 370.493 3.292 20 0 FGADHO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(OCCN(C)C)cc1 ZINC000178232156 496379416 /nfs/dbraw/zinc/37/94/16/496379416.db2.gz MDNUSEMDOLXSIX-KRWDZBQOSA-N 1 3 354.494 3.455 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727930 496403119 /nfs/dbraw/zinc/40/31/19/496403119.db2.gz FKPNARPFKTVTTO-DYXWJJEUSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727930 496403122 /nfs/dbraw/zinc/40/31/22/496403122.db2.gz FKPNARPFKTVTTO-DYXWJJEUSA-N 1 3 359.558 3.164 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000184497335 496411834 /nfs/dbraw/zinc/41/18/34/496411834.db2.gz ABQDKFDMCWFALK-IRXDYDNUSA-N 1 3 367.559 3.363 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972214 496442971 /nfs/dbraw/zinc/44/29/71/496442971.db2.gz MABLCAGJTBNZRU-HXUWFJFHSA-N 1 3 358.530 3.030 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458176 /nfs/dbraw/zinc/45/81/76/496458176.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 1 3 374.573 3.126 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458181 /nfs/dbraw/zinc/45/81/81/496458181.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187479062 496458633 /nfs/dbraw/zinc/45/86/33/496458633.db2.gz SKEMTKJDIKWQNS-GIVPXCGWSA-N 1 3 374.573 3.267 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187479062 496458640 /nfs/dbraw/zinc/45/86/40/496458640.db2.gz SKEMTKJDIKWQNS-GIVPXCGWSA-N 1 3 374.573 3.267 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000157456603 496481325 /nfs/dbraw/zinc/48/13/25/496481325.db2.gz WOEIXVLNMRREFE-LJQANCHMSA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000157456603 496481326 /nfs/dbraw/zinc/48/13/26/496481326.db2.gz WOEIXVLNMRREFE-LJQANCHMSA-N 1 3 374.573 3.400 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000163571849 496534120 /nfs/dbraw/zinc/53/41/20/496534120.db2.gz LQSHIPSQDHWHLP-KRWDZBQOSA-N 1 3 364.497 3.355 20 0 FGADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000569099713 505852958 /nfs/dbraw/zinc/85/29/58/505852958.db2.gz NJGMRUROHJSKBR-IBGZPJMESA-N 1 3 363.571 3.374 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000569116542 505856914 /nfs/dbraw/zinc/85/69/14/505856914.db2.gz FYBVFCGIRHSOKF-LJQANCHMSA-N 1 3 363.590 3.467 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000165321156 496655938 /nfs/dbraw/zinc/65/59/38/496655938.db2.gz OBYYLLIDMIKXSN-INIZCTEOSA-N 1 3 363.933 3.266 20 0 FGADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080477 496675037 /nfs/dbraw/zinc/67/50/37/496675037.db2.gz MVPFFMJOPXBEHF-WIYYLYMNSA-N 1 3 359.514 3.144 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245138 496680488 /nfs/dbraw/zinc/68/04/88/496680488.db2.gz ZKLOQLPJIZZFLW-BBRMVZONSA-N 1 3 359.436 3.060 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000166242633 496680960 /nfs/dbraw/zinc/68/09/60/496680960.db2.gz QMOFLOCUYISKRZ-QGZVFWFLSA-N 1 3 371.447 3.204 20 0 FGADHO CCC[NH+]1CCC(NCCC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000158377716 496688574 /nfs/dbraw/zinc/68/85/74/496688574.db2.gz OPJDWGHWDHPJLD-UHFFFAOYSA-N 1 3 367.921 3.450 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689637 /nfs/dbraw/zinc/68/96/37/496689637.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 1 3 367.459 3.496 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689643 /nfs/dbraw/zinc/68/96/43/496689643.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 1 3 367.459 3.496 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Cl)cc(Cl)c1 ZINC000168954374 496713901 /nfs/dbraw/zinc/71/39/01/496713901.db2.gz DIEGWZOMONMNGQ-HNNXBMFYSA-N 1 3 374.356 3.034 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000168957888 496714026 /nfs/dbraw/zinc/71/40/26/496714026.db2.gz HRWHWFLUPAUIAV-HNNXBMFYSA-N 1 3 374.356 3.034 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335249 496739490 /nfs/dbraw/zinc/73/94/90/496739490.db2.gz VTPVDRPPDRLLDY-INIZCTEOSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335249 496739484 /nfs/dbraw/zinc/73/94/84/496739484.db2.gz VTPVDRPPDRLLDY-INIZCTEOSA-N 1 3 368.319 3.194 20 0 FGADHO COc1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc(OC)c1O ZINC000263835290 496740221 /nfs/dbraw/zinc/74/02/21/496740221.db2.gz CAQQKYDWIOSCPC-UHFFFAOYSA-N 1 3 374.481 3.030 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000580900313 505864191 /nfs/dbraw/zinc/86/41/91/505864191.db2.gz NPJZQGLFINVYPN-KRWDZBQOSA-N 1 3 351.494 3.143 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247074117 496771240 /nfs/dbraw/zinc/77/12/40/496771240.db2.gz OSPHATGSVCMRKR-JRGCBEDISA-N 1 3 372.557 3.384 20 0 FGADHO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191465333 496771859 /nfs/dbraw/zinc/77/18/59/496771859.db2.gz RJJPYFHNEBYVED-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccccc1C[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191465333 496771861 /nfs/dbraw/zinc/77/18/61/496771861.db2.gz RJJPYFHNEBYVED-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268767938 496778673 /nfs/dbraw/zinc/77/86/73/496778673.db2.gz COFXEWPKBHMVES-DUXKGJEZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268767938 496778678 /nfs/dbraw/zinc/77/86/78/496778678.db2.gz COFXEWPKBHMVES-DUXKGJEZSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1cccn1 ZINC000268768030 496779689 /nfs/dbraw/zinc/77/96/89/496779689.db2.gz OOGBJMCKHONRST-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1cccn1 ZINC000268768030 496779695 /nfs/dbraw/zinc/77/96/95/496779695.db2.gz OOGBJMCKHONRST-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000273346307 496780003 /nfs/dbraw/zinc/78/00/03/496780003.db2.gz BUYJLANAHSPBPT-GOSISDBHSA-N 1 3 374.573 3.400 20 0 FGADHO C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783335 496784469 /nfs/dbraw/zinc/78/44/69/496784469.db2.gz YTFFPSVYBCJVJQ-KRWDZBQOSA-N 1 3 369.509 3.180 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000268872330 496810851 /nfs/dbraw/zinc/81/08/51/496810851.db2.gz KSNYIKBDHIEFSL-IFMALSPDSA-N 1 3 371.569 3.132 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678365 496988555 /nfs/dbraw/zinc/98/85/55/496988555.db2.gz ZGLMWPORJZTJNM-LAUBAEHRSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678365 496988557 /nfs/dbraw/zinc/98/85/57/496988557.db2.gz ZGLMWPORJZTJNM-LAUBAEHRSA-N 1 3 370.541 3.130 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193901 497029148 /nfs/dbraw/zinc/02/91/48/497029148.db2.gz SGOSEKVBRZWKIX-DENIHFKCSA-N 1 3 370.541 3.407 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193901 497029154 /nfs/dbraw/zinc/02/91/54/497029154.db2.gz SGOSEKVBRZWKIX-DENIHFKCSA-N 1 3 370.541 3.407 20 0 FGADHO C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248585285 497048189 /nfs/dbraw/zinc/04/81/89/497048189.db2.gz PWGWUPIOVBYTFS-JENIJYKNSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248585285 497048193 /nfs/dbraw/zinc/04/81/93/497048193.db2.gz PWGWUPIOVBYTFS-JENIJYKNSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000248585285 497048198 /nfs/dbraw/zinc/04/81/98/497048198.db2.gz PWGWUPIOVBYTFS-JENIJYKNSA-N 1 3 371.525 3.150 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272950 497066024 /nfs/dbraw/zinc/06/60/24/497066024.db2.gz ZGDNUWSXWMGQAO-GPQLOAJWSA-N 1 3 369.509 3.056 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)C ZINC000248705889 497083641 /nfs/dbraw/zinc/08/36/41/497083641.db2.gz ORNKXXLYYYCMJW-OXJNMPFZSA-N 1 3 356.514 3.190 20 0 FGADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C2 ZINC000192439514 497114461 /nfs/dbraw/zinc/11/44/61/497114461.db2.gz FNCXESGPATYBSL-IBGZPJMESA-N 1 3 354.494 3.283 20 0 FGADHO COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCCC2)cc1 ZINC000248876957 497123623 /nfs/dbraw/zinc/12/36/23/497123623.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCCC2)cc1 ZINC000248876957 497123628 /nfs/dbraw/zinc/12/36/28/497123628.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 1 3 357.542 3.437 20 0 FGADHO COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCCCC2)cc1 ZINC000248876957 497123632 /nfs/dbraw/zinc/12/36/32/497123632.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 1 3 357.542 3.437 20 0 FGADHO CCCN1CCN(c2ccccc2CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236803935 497149223 /nfs/dbraw/zinc/14/92/23/497149223.db2.gz ADZOPEXJRWMQOZ-NHCUHLMSSA-N 1 3 358.574 3.181 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192582449 497157292 /nfs/dbraw/zinc/15/72/92/497157292.db2.gz KSKLUITWIFSOGF-GCJKJVERSA-N 1 3 369.553 3.372 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000236974028 497174378 /nfs/dbraw/zinc/17/43/78/497174378.db2.gz GSMASBOTJKRTDF-GOOCMWNKSA-N 1 3 365.905 3.140 20 0 FGADHO COC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249169628 497177960 /nfs/dbraw/zinc/17/79/60/497177960.db2.gz APGJQGGMMYPFKC-XMSQKQJNSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249169628 497177966 /nfs/dbraw/zinc/17/79/66/497177966.db2.gz APGJQGGMMYPFKC-XMSQKQJNSA-N 1 3 360.542 3.450 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000278655415 497180127 /nfs/dbraw/zinc/18/01/27/497180127.db2.gz MHWPIBJCLIAOKZ-UHFFFAOYSA-N 1 3 369.553 3.231 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000278655415 497180130 /nfs/dbraw/zinc/18/01/30/497180130.db2.gz MHWPIBJCLIAOKZ-UHFFFAOYSA-N 1 3 369.553 3.231 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000278739378 497204561 /nfs/dbraw/zinc/20/45/61/497204561.db2.gz WKAPCHZNBJFJEF-HSZRJFAPSA-N 1 3 371.569 3.228 20 0 FGADHO C[C@@H](CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237376612 497227423 /nfs/dbraw/zinc/22/74/23/497227423.db2.gz RXZGIRIITWWKLC-OALUTQOASA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000192848414 497229670 /nfs/dbraw/zinc/22/96/70/497229670.db2.gz PRQBQEWWNUODCK-VQTJNVASSA-N 1 3 365.949 3.176 20 0 FGADHO Cc1cc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000237560618 497256007 /nfs/dbraw/zinc/25/60/07/497256007.db2.gz GUXYUWQMOLZVJT-QGZVFWFLSA-N 1 3 373.541 3.434 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000237563830 497256127 /nfs/dbraw/zinc/25/61/27/497256127.db2.gz OEWYWIWWOOZMSH-AVRDEDQJSA-N 1 3 365.521 3.412 20 0 FGADHO C[C@H](CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237577681 497258060 /nfs/dbraw/zinc/25/80/60/497258060.db2.gz VGVGVDJNQNAQMX-SFHLNBCPSA-N 1 3 357.542 3.135 20 0 FGADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000574972490 505894735 /nfs/dbraw/zinc/89/47/35/505894735.db2.gz KXMMCBFSMFDCQC-UWHLTILDSA-N 1 3 354.498 3.206 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237588941 497260495 /nfs/dbraw/zinc/26/04/95/497260495.db2.gz XJHOCHLDPSYLMW-WLRLJWMZSA-N 1 3 357.542 3.453 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277935 505895055 /nfs/dbraw/zinc/89/50/55/505895055.db2.gz NUAUMKPVSNJVFG-NJDAHSKKSA-N 1 3 364.505 3.118 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189864355 497273125 /nfs/dbraw/zinc/27/31/25/497273125.db2.gz NQRGNBQENZKVQK-GOSISDBHSA-N 1 3 372.557 3.338 20 0 FGADHO O=C(N1CCN(CC2CCCCC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237905516 497311202 /nfs/dbraw/zinc/31/12/02/497311202.db2.gz COXSFZBMGLODHD-UHFFFAOYSA-N 1 3 369.553 3.032 20 0 FGADHO C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585064 497416003 /nfs/dbraw/zinc/41/60/03/497416003.db2.gz IFYJXGGEBCJGFN-WMQCIHAUSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585064 497416006 /nfs/dbraw/zinc/41/60/06/497416006.db2.gz IFYJXGGEBCJGFN-WMQCIHAUSA-N 1 3 357.542 3.311 20 0 FGADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261607231 497418961 /nfs/dbraw/zinc/41/89/61/497418961.db2.gz ROLSWYLQZKYVPU-NRSPTQNISA-N 1 3 355.526 3.030 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000193618791 497429612 /nfs/dbraw/zinc/42/96/12/497429612.db2.gz QRGXPYOBPJSLNJ-OAQYLSRUSA-N 1 3 372.557 3.025 20 0 FGADHO COc1ccc([C@H](C)CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271815324 497459224 /nfs/dbraw/zinc/45/92/24/497459224.db2.gz MMZJRSZUZHDNJJ-LJQANCHMSA-N 1 3 359.558 3.289 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271842350 497467340 /nfs/dbraw/zinc/46/73/40/497467340.db2.gz GXWFFPHPXUEADM-ZDUSSCGKSA-N 1 3 366.303 3.018 20 0 FGADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892568 497469752 /nfs/dbraw/zinc/46/97/52/497469752.db2.gz UFDMOXIWRBCOII-HXUWFJFHSA-N 1 3 369.553 3.423 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928601 497477144 /nfs/dbraw/zinc/47/71/44/497477144.db2.gz SLJXGHOEALIYDJ-YWPYICTPSA-N 1 3 356.297 3.381 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928589 497477333 /nfs/dbraw/zinc/47/73/33/497477333.db2.gz SLJXGHOEALIYDJ-SLEUVZQESA-N 1 3 356.297 3.381 20 0 FGADHO NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245742147 497523971 /nfs/dbraw/zinc/52/39/71/497523971.db2.gz RTEBYFURQRTKST-MZADTFQBSA-N 1 3 364.493 3.462 20 0 FGADHO CC(C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759890 497530634 /nfs/dbraw/zinc/53/06/34/497530634.db2.gz VKQQDVNHMYMNAX-BJESRGMDSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759890 497530637 /nfs/dbraw/zinc/53/06/37/497530637.db2.gz VKQQDVNHMYMNAX-BJESRGMDSA-N 1 3 371.569 3.128 20 0 FGADHO CN1CCC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277933 497533014 /nfs/dbraw/zinc/53/30/14/497533014.db2.gz KDRXWUVVQJBRPN-GDBMZVCRSA-N 1 3 354.420 3.027 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272137034 497545331 /nfs/dbraw/zinc/54/53/31/497545331.db2.gz ARHWQELWLHQUOI-DYESRHJHSA-N 1 3 351.494 3.046 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H](N)c1ccccc1 ZINC000262663096 497594593 /nfs/dbraw/zinc/59/45/93/497594593.db2.gz ZQISNWRFYKZXBV-ZJOUEHCJSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334211 505917422 /nfs/dbraw/zinc/91/74/22/505917422.db2.gz CZKOWRIZTIJJFT-JQVVWYNYSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334211 505917424 /nfs/dbraw/zinc/91/74/24/505917424.db2.gz CZKOWRIZTIJJFT-JQVVWYNYSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000578334211 505917428 /nfs/dbraw/zinc/91/74/28/505917428.db2.gz CZKOWRIZTIJJFT-JQVVWYNYSA-N 1 3 357.542 3.134 20 0 FGADHO O=C(CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235948 505921986 /nfs/dbraw/zinc/92/19/86/505921986.db2.gz PGUXZZUOPYBMMT-IBGZPJMESA-N 1 3 369.484 3.309 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235948 505921988 /nfs/dbraw/zinc/92/19/88/505921988.db2.gz PGUXZZUOPYBMMT-IBGZPJMESA-N 1 3 369.484 3.309 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235948 505921991 /nfs/dbraw/zinc/92/19/91/505921991.db2.gz PGUXZZUOPYBMMT-IBGZPJMESA-N 1 3 369.484 3.309 20 0 FGADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cnc(-c2ccsc2)s1 ZINC000581158725 505922837 /nfs/dbraw/zinc/92/28/37/505922837.db2.gz CSSFIUVDRRRXFL-UHFFFAOYSA-N 1 3 352.573 3.187 20 0 FGADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cnc(-c2ccsc2)s1 ZINC000581158725 505922840 /nfs/dbraw/zinc/92/28/40/505922840.db2.gz CSSFIUVDRRRXFL-UHFFFAOYSA-N 1 3 352.573 3.187 20 0 FGADHO CN(CCCN(C)Cc1cnc(-c2ccsc2)s1)CC[NH+](C)C ZINC000581158725 505922843 /nfs/dbraw/zinc/92/28/43/505922843.db2.gz CSSFIUVDRRRXFL-UHFFFAOYSA-N 1 3 352.573 3.187 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730711 497714289 /nfs/dbraw/zinc/71/42/89/497714289.db2.gz ILBQXRNQKYHDJP-DENIHFKCSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730711 497714291 /nfs/dbraw/zinc/71/42/91/497714291.db2.gz ILBQXRNQKYHDJP-DENIHFKCSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000263315541 497756157 /nfs/dbraw/zinc/75/61/57/497756157.db2.gz ZKKHEEDYQKEFFY-IRLDBZIGSA-N 1 3 370.541 3.065 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246855391 497816821 /nfs/dbraw/zinc/81/68/21/497816821.db2.gz FKZXHXGLOMWFIP-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246855391 497816822 /nfs/dbraw/zinc/81/68/22/497816822.db2.gz FKZXHXGLOMWFIP-PZJWPPBQSA-N 1 3 372.557 3.101 20 0 FGADHO c1cncc([C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CCC2)c1 ZINC000280752721 497883392 /nfs/dbraw/zinc/88/33/92/497883392.db2.gz DVWNAJRPERZKAM-QFIPXVFZSA-N 1 3 365.525 3.120 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311394 497892146 /nfs/dbraw/zinc/89/21/46/497892146.db2.gz BLLQXOKITLVMMI-UWJYYQICSA-N 1 3 369.534 3.440 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311394 497892152 /nfs/dbraw/zinc/89/21/52/497892152.db2.gz BLLQXOKITLVMMI-UWJYYQICSA-N 1 3 369.534 3.440 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474130 505943990 /nfs/dbraw/zinc/94/39/90/505943990.db2.gz VUAQEQCNMBNAHG-LZQZEXGQSA-N 1 3 371.504 3.299 20 0 FGADHO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000578479529 505949470 /nfs/dbraw/zinc/94/94/70/505949470.db2.gz OBVRGCCUXWEZAD-CEMLEFRQSA-N 1 3 352.526 3.243 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@H]3C[C@@H](C)n4ccnc43)CC2)c1 ZINC000296186265 497948443 /nfs/dbraw/zinc/94/84/43/497948443.db2.gz YIAFMAOJOXFVRB-CTNGQTDRSA-N 1 3 367.541 3.389 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289162540 498040890 /nfs/dbraw/zinc/04/08/90/498040890.db2.gz DRDHOLAYSMIPNI-NEWSRXKRSA-N 1 3 358.482 3.062 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289162540 498040898 /nfs/dbraw/zinc/04/08/98/498040898.db2.gz DRDHOLAYSMIPNI-NEWSRXKRSA-N 1 3 358.482 3.062 20 0 FGADHO CC1(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)COC1 ZINC000285324575 498052124 /nfs/dbraw/zinc/05/21/24/498052124.db2.gz BHTUMTQBUKWQCT-UHFFFAOYSA-N 1 3 365.521 3.135 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289247256 498075996 /nfs/dbraw/zinc/07/59/96/498075996.db2.gz LOZBKSCEGXAWAD-HNJRGHQBSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289247256 498076003 /nfs/dbraw/zinc/07/60/03/498076003.db2.gz LOZBKSCEGXAWAD-HNJRGHQBSA-N 1 3 372.509 3.165 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483605 505979957 /nfs/dbraw/zinc/97/99/57/505979957.db2.gz HJHSAIPQGXFNER-WTOYTKOKSA-N 1 3 365.521 3.339 20 0 FGADHO CCn1nc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)c2ccccc21 ZINC000364845992 498169711 /nfs/dbraw/zinc/16/97/11/498169711.db2.gz ZEKLBOIZKLXIKT-UHFFFAOYSA-N 1 3 369.557 3.096 20 0 FGADHO CN1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853527 498174565 /nfs/dbraw/zinc/17/45/65/498174565.db2.gz ZVIXKSWSHXQPNP-USXIJHARSA-N 1 3 351.922 3.213 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365063806 498278924 /nfs/dbraw/zinc/27/89/24/498278924.db2.gz BDTQTRCMCLDIAT-YMPZKCBVSA-N 1 3 372.553 3.328 20 0 FGADHO C[C@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCCN1Cc1ccccc1 ZINC000575971174 506045865 /nfs/dbraw/zinc/04/58/65/506045865.db2.gz LBPCOBZJGHQJAE-OAQYLSRUSA-N 1 3 352.482 3.322 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297657092 498526712 /nfs/dbraw/zinc/52/67/12/498526712.db2.gz KLVLOMZISILZQW-OXQOHEQNSA-N 1 3 354.498 3.399 20 0 FGADHO COC1CC[NH+](C2(CNCCC(=O)Nc3ccccc3)CCCC2)CC1 ZINC000575981336 506048598 /nfs/dbraw/zinc/04/85/98/506048598.db2.gz HLUFXWJDCQBBKL-UHFFFAOYSA-N 1 3 359.514 3.028 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CNCc1c(C)nc2scc(C3CC3)n12 ZINC000297700309 498540647 /nfs/dbraw/zinc/54/06/47/498540647.db2.gz QKOQYIWUSIQOPG-HNNXBMFYSA-N 1 3 350.532 3.028 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512458 498540982 /nfs/dbraw/zinc/54/09/82/498540982.db2.gz ZDBFKAMUGJQSAP-GFCCVEGCSA-N 1 3 359.345 3.252 20 0 FGADHO COCCCOc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297716635 498546432 /nfs/dbraw/zinc/54/64/32/498546432.db2.gz RLOKYLBQILPEAI-UHFFFAOYSA-N 1 3 355.482 3.256 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000302962820 498634299 /nfs/dbraw/zinc/63/42/99/498634299.db2.gz MLUIEYCBCBCYRS-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240095 498657079 /nfs/dbraw/zinc/65/70/79/498657079.db2.gz IZULLISGXOMYNB-WIYYLYMNSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240095 498657087 /nfs/dbraw/zinc/65/70/87/498657087.db2.gz IZULLISGXOMYNB-WIYYLYMNSA-N 1 3 372.557 3.242 20 0 FGADHO CC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2n1CCCCC2 ZINC000298235985 498704430 /nfs/dbraw/zinc/70/44/30/498704430.db2.gz BTPYTASMZAZJAM-SFHVURJKSA-N 1 3 354.502 3.109 20 0 FGADHO COc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000576146492 506087447 /nfs/dbraw/zinc/08/74/47/506087447.db2.gz FOXZHESHJSTSOM-LLVKDONJSA-N 1 3 351.397 3.310 20 0 FGADHO c1ccc([C@@H](CN2CCCC2)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298568162 498816784 /nfs/dbraw/zinc/81/67/84/498816784.db2.gz WUEYXFUAXQCHGR-JOCHJYFZSA-N 1 3 350.510 3.477 20 0 FGADHO CN(CCCOc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453084 498828736 /nfs/dbraw/zinc/82/87/36/498828736.db2.gz QMMUKACCAZSDGW-UHFFFAOYSA-N 1 3 350.478 3.170 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000579128760 506100166 /nfs/dbraw/zinc/10/01/66/506100166.db2.gz NDGDFHGNWADABG-GOSISDBHSA-N 1 3 365.521 3.404 20 0 FGADHO CN1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331372 498877884 /nfs/dbraw/zinc/87/78/84/498877884.db2.gz VREHVSDIWKFYJW-HKUYNNGSSA-N 1 3 357.885 3.222 20 0 FGADHO N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416764 498917353 /nfs/dbraw/zinc/91/73/53/498917353.db2.gz ZHCYYFCKSLWJBD-FPOVZHCZSA-N 1 3 351.494 3.105 20 0 FGADHO N[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416764 498917359 /nfs/dbraw/zinc/91/73/59/498917359.db2.gz ZHCYYFCKSLWJBD-FPOVZHCZSA-N 1 3 351.494 3.105 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008555 506111749 /nfs/dbraw/zinc/11/17/49/506111749.db2.gz RHAZRYMFYCMTOO-FQEVSTJZSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CCC2 ZINC000363754342 498976712 /nfs/dbraw/zinc/97/67/12/498976712.db2.gz BNTIMAJVLJUHHD-MJGOQNOKSA-N 1 3 356.514 3.360 20 0 FGADHO CN1CCC(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000291529208 498978790 /nfs/dbraw/zinc/97/87/90/498978790.db2.gz NCRNZJTYZKFZSL-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CN1CCC(CC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000291529208 498978794 /nfs/dbraw/zinc/97/87/94/498978794.db2.gz NCRNZJTYZKFZSL-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000582064821 506125454 /nfs/dbraw/zinc/12/54/54/506125454.db2.gz RKWMDDWIEMIGLC-NRFANRHFSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000582064821 506125460 /nfs/dbraw/zinc/12/54/60/506125460.db2.gz RKWMDDWIEMIGLC-NRFANRHFSA-N 1 3 351.494 3.030 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000366757229 499061445 /nfs/dbraw/zinc/06/14/45/499061445.db2.gz RKEASVYUPPGHLN-OALUTQOASA-N 1 3 356.514 3.177 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000366757231 499061652 /nfs/dbraw/zinc/06/16/52/499061652.db2.gz RKEASVYUPPGHLN-RTBURBONSA-N 1 3 356.514 3.177 20 0 FGADHO Cn1cnc2cc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000284169848 499062067 /nfs/dbraw/zinc/06/20/67/499062067.db2.gz WXPKTGAYGYGTTN-UHFFFAOYSA-N 1 3 364.493 3.336 20 0 FGADHO Cc1cccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000291910137 499100170 /nfs/dbraw/zinc/10/01/70/499100170.db2.gz QRVHVSYMDSTQSX-UHFFFAOYSA-N 1 3 372.557 3.003 20 0 FGADHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](CN3CCCCC3)C2)CC1 ZINC000372801724 499177474 /nfs/dbraw/zinc/17/74/74/499177474.db2.gz LNPBQPCRUNAXQH-FQEVSTJZSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](CN3CCCCC3)C2)CC1 ZINC000372801724 499177476 /nfs/dbraw/zinc/17/74/76/499177476.db2.gz LNPBQPCRUNAXQH-FQEVSTJZSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)(C)C(=O)N1CCC(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801724 499177478 /nfs/dbraw/zinc/17/74/78/499177478.db2.gz LNPBQPCRUNAXQH-FQEVSTJZSA-N 1 3 363.590 3.469 20 0 FGADHO COC(=O)N1CCC(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000367517557 499208210 /nfs/dbraw/zinc/20/82/10/499208210.db2.gz CBADQYUZOUYJPG-APWZRJJASA-N 1 3 351.535 3.098 20 0 FGADHO COC(=O)N1CCC(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000367517557 499208208 /nfs/dbraw/zinc/20/82/08/499208208.db2.gz CBADQYUZOUYJPG-APWZRJJASA-N 1 3 351.535 3.098 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566060 499213302 /nfs/dbraw/zinc/21/33/02/499213302.db2.gz RMYHSYUCJSNJCR-CWBXHPNXSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566060 499213303 /nfs/dbraw/zinc/21/33/03/499213303.db2.gz RMYHSYUCJSNJCR-CWBXHPNXSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367566060 499213304 /nfs/dbraw/zinc/21/33/04/499213304.db2.gz RMYHSYUCJSNJCR-CWBXHPNXSA-N 1 3 365.521 3.048 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625477 499236771 /nfs/dbraw/zinc/23/67/71/499236771.db2.gz YLNVFFIVDRCBSG-GJZGRUSLSA-N 1 3 366.347 3.268 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625477 499236773 /nfs/dbraw/zinc/23/67/73/499236773.db2.gz YLNVFFIVDRCBSG-GJZGRUSLSA-N 1 3 366.347 3.268 20 0 FGADHO C[C@@H](C1CC1)N(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888845 499242142 /nfs/dbraw/zinc/24/21/42/499242142.db2.gz ZBPHTWXDPSIFTH-KRWDZBQOSA-N 1 3 370.541 3.019 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250209 /nfs/dbraw/zinc/25/02/09/499250209.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 1 3 373.504 3.426 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250211 /nfs/dbraw/zinc/25/02/11/499250211.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 1 3 373.504 3.426 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368680 506141795 /nfs/dbraw/zinc/14/17/95/506141795.db2.gz QMSBYEKYGJDBAK-NQIIRXRSSA-N 1 3 362.514 3.201 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000378339136 499503591 /nfs/dbraw/zinc/50/35/91/499503591.db2.gz DQRFIGRWRKBDJP-DENIHFKCSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000378339136 499503592 /nfs/dbraw/zinc/50/35/92/499503592.db2.gz DQRFIGRWRKBDJP-DENIHFKCSA-N 1 3 371.569 3.466 20 0 FGADHO c1ccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000376013537 499576230 /nfs/dbraw/zinc/57/62/30/499576230.db2.gz IZFSLNMINHSEAF-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO c1ccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000376013537 499576231 /nfs/dbraw/zinc/57/62/31/499576231.db2.gz IZFSLNMINHSEAF-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000376318095 499600028 /nfs/dbraw/zinc/60/00/28/499600028.db2.gz FSEGSHPPCJDAPO-GCJKJVERSA-N 1 3 365.521 3.437 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235691 499672588 /nfs/dbraw/zinc/67/25/88/499672588.db2.gz DAVASMGOHOQVDC-QUCCMNQESA-N 1 3 357.542 3.075 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235691 499672590 /nfs/dbraw/zinc/67/25/90/499672590.db2.gz DAVASMGOHOQVDC-QUCCMNQESA-N 1 3 357.542 3.075 20 0 FGADHO CCCNC(=O)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218334 499712657 /nfs/dbraw/zinc/71/26/57/499712657.db2.gz IARCFFPEWHYVOL-NRFANRHFSA-N 1 3 357.542 3.411 20 0 FGADHO CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411279717 499721099 /nfs/dbraw/zinc/72/10/99/499721099.db2.gz CJCWWZSDTCJGMO-FCHUYYIVSA-N 1 3 372.553 3.424 20 0 FGADHO c1cn(-c2ccc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729094 /nfs/dbraw/zinc/72/90/94/499729094.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 1 3 373.504 3.221 20 0 FGADHO c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729095 /nfs/dbraw/zinc/72/90/95/499729095.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 1 3 373.504 3.221 20 0 FGADHO c1cn(CC2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nn1 ZINC000411405389 499735748 /nfs/dbraw/zinc/73/57/48/499735748.db2.gz YWCVCXNXHFMEOL-UHFFFAOYSA-N 1 3 353.514 3.176 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817992 499738237 /nfs/dbraw/zinc/73/82/37/499738237.db2.gz DIBXQFLCCJGORA-BHDDXSALSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817992 499738239 /nfs/dbraw/zinc/73/82/39/499738239.db2.gz DIBXQFLCCJGORA-BHDDXSALSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883688 499745142 /nfs/dbraw/zinc/74/51/42/499745142.db2.gz KOKXOXAOGCVYNJ-FDFHNCONSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883688 499745144 /nfs/dbraw/zinc/74/51/44/499745144.db2.gz KOKXOXAOGCVYNJ-FDFHNCONSA-N 1 3 363.505 3.123 20 0 FGADHO C[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414200246 499768226 /nfs/dbraw/zinc/76/82/26/499768226.db2.gz RPCZUDAKDSODAM-RXVVDRJESA-N 1 3 357.542 3.011 20 0 FGADHO CC(C)C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414203835 499768337 /nfs/dbraw/zinc/76/83/37/499768337.db2.gz VOELMZKHSGHFJI-NRFANRHFSA-N 1 3 359.558 3.160 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695839 499820969 /nfs/dbraw/zinc/82/09/69/499820969.db2.gz FPFFZUIVQHEECG-FQEVSTJZSA-N 1 3 369.484 3.025 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695839 499820971 /nfs/dbraw/zinc/82/09/71/499820971.db2.gz FPFFZUIVQHEECG-FQEVSTJZSA-N 1 3 369.484 3.025 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697517 499821271 /nfs/dbraw/zinc/82/12/71/499821271.db2.gz WRESJGFWVROHBS-CQSZACIVSA-N 1 3 370.324 3.155 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697517 499821273 /nfs/dbraw/zinc/82/12/73/499821273.db2.gz WRESJGFWVROHBS-CQSZACIVSA-N 1 3 370.324 3.155 20 0 FGADHO COCCN(Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414753798 499826926 /nfs/dbraw/zinc/82/69/26/499826926.db2.gz FEQCWPNSPINWBW-CHWSQXEVSA-N 1 3 361.349 3.347 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Br)c(Br)c1 ZINC000414795717 499832188 /nfs/dbraw/zinc/83/21/88/499832188.db2.gz HAAKFNVPLQQYAN-GXFFZTMASA-N 1 3 362.109 3.429 20 0 FGADHO Cc1cc(Br)cn2c(CN[C@H]3CCCC[C@@H]3C[NH3+])cnc12 ZINC000414796801 499832088 /nfs/dbraw/zinc/83/20/88/499832088.db2.gz IASAGBFYIQHQKZ-DOMZBBRYSA-N 1 3 351.292 3.012 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796784 499832334 /nfs/dbraw/zinc/83/23/34/499832334.db2.gz IAODXLKZSOQMRH-GDBMZVCRSA-N 1 3 352.404 3.498 20 0 FGADHO CC(C)c1ccc([C@@H]([NH3+])CNC2CCN(Cc3cccnc3)CC2)cc1 ZINC000414820734 499834282 /nfs/dbraw/zinc/83/42/82/499834282.db2.gz AYRLVTGPYSESAD-QFIPXVFZSA-N 1 3 352.526 3.459 20 0 FGADHO Clc1cccc(-n2cc(CNCC[C@@H]3CCC[NH2+]C3)nn2)c1Cl ZINC000414834182 499835481 /nfs/dbraw/zinc/83/54/81/499835481.db2.gz GZJADVDFRWZEKJ-LBPRGKRZSA-N 1 3 354.285 3.053 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414847068 499837356 /nfs/dbraw/zinc/83/73/56/499837356.db2.gz UNNXNVWPBPCJBZ-CYBMUJFWSA-N 1 3 368.319 3.417 20 0 FGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945548 499847697 /nfs/dbraw/zinc/84/76/97/499847697.db2.gz RVOQVRVTKMZDNO-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000415024275 499855901 /nfs/dbraw/zinc/85/59/01/499855901.db2.gz MZUDQLBZKBBSNU-JOCQHMNTSA-N 1 3 368.312 3.429 20 0 FGADHO FC(F)[C@H](CCc1ccccc1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000415056697 499859030 /nfs/dbraw/zinc/85/90/30/499859030.db2.gz QIWNSYKLYFCZDD-ACBHZAAOSA-N 1 3 351.485 3.059 20 0 FGADHO FC(F)[C@H](CCc1ccccc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056697 499859031 /nfs/dbraw/zinc/85/90/31/499859031.db2.gz QIWNSYKLYFCZDD-ACBHZAAOSA-N 1 3 351.485 3.059 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415070406 499860499 /nfs/dbraw/zinc/86/04/99/499860499.db2.gz UXTLLAMXLZPVRZ-LRDDRELGSA-N 1 3 368.319 3.273 20 0 FGADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081811 499861681 /nfs/dbraw/zinc/86/16/81/499861681.db2.gz CGXIAHVJKZORDN-IIBYNOLFSA-N 1 3 371.912 3.216 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415091423 499862525 /nfs/dbraw/zinc/86/25/25/499862525.db2.gz ZFLCQUAQWYOMOK-GUDVDZBRSA-N 1 3 354.498 3.352 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121491 499866170 /nfs/dbraw/zinc/86/61/70/499866170.db2.gz IEEDMWRRNWFNGC-DLBZAZTESA-N 1 3 350.528 3.135 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH2+]C)c2)N(C)C)cc1 ZINC000415925938 499929209 /nfs/dbraw/zinc/92/92/09/499929209.db2.gz BTUVCQHFPGFIFG-HXUWFJFHSA-N 1 3 354.498 3.393 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415950018 499932286 /nfs/dbraw/zinc/93/22/86/499932286.db2.gz CSVCCYSZURQCJH-UHFFFAOYSA-N 1 3 350.482 3.105 20 0 FGADHO C[NH+](C)CC1(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCCC1 ZINC000415953949 499932869 /nfs/dbraw/zinc/93/28/69/499932869.db2.gz NGVXSFJLXJSTBJ-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415965927 499934654 /nfs/dbraw/zinc/93/46/54/499934654.db2.gz AYVKHVJLKVQJHA-UHFFFAOYSA-N 1 3 374.529 3.144 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415965927 499934656 /nfs/dbraw/zinc/93/46/56/499934656.db2.gz AYVKHVJLKVQJHA-UHFFFAOYSA-N 1 3 374.529 3.144 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415970960 499935269 /nfs/dbraw/zinc/93/52/69/499935269.db2.gz MDJNNKOYACLZLJ-MLGOLLRUSA-N 1 3 370.419 3.255 20 0 FGADHO CC(C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000415974464 499936010 /nfs/dbraw/zinc/93/60/10/499936010.db2.gz LKZNWPOUGRBIAT-OAQYLSRUSA-N 1 3 366.509 3.350 20 0 FGADHO CC(C)N1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415975307 499936251 /nfs/dbraw/zinc/93/62/51/499936251.db2.gz SQIHKZNTDAHTSR-UHFFFAOYSA-N 1 3 358.408 3.112 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146200 499958321 /nfs/dbraw/zinc/95/83/21/499958321.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 1 3 369.553 3.299 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146200 499958324 /nfs/dbraw/zinc/95/83/24/499958324.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 1 3 369.553 3.299 20 0 FGADHO C[C@H](NC(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189162 499974526 /nfs/dbraw/zinc/97/45/26/499974526.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](NC(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189162 499974528 /nfs/dbraw/zinc/97/45/28/499974528.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413665836 500019716 /nfs/dbraw/zinc/01/97/16/500019716.db2.gz GHHHFKOYCCCNSQ-GOSISDBHSA-N 1 3 357.542 3.475 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C(C)C)s3)CC2)CC1 ZINC000421368843 500028417 /nfs/dbraw/zinc/02/84/17/500028417.db2.gz GRBJEFWSPNQWPM-UHFFFAOYSA-N 1 3 350.576 3.259 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C(C)C)s3)CC2)CC1 ZINC000421368843 500028422 /nfs/dbraw/zinc/02/84/22/500028422.db2.gz GRBJEFWSPNQWPM-UHFFFAOYSA-N 1 3 350.576 3.259 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000421382892 500033431 /nfs/dbraw/zinc/03/34/31/500033431.db2.gz YTMHPWSBOQTQOI-UHFFFAOYSA-N 1 3 358.505 3.299 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1(O)CCOCC1 ZINC000417350993 500046199 /nfs/dbraw/zinc/04/61/99/500046199.db2.gz ATTXRQYFJVPJEV-PWRODBHTSA-N 1 3 372.553 3.054 20 0 FGADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1 ZINC000413901311 500090760 /nfs/dbraw/zinc/09/07/60/500090760.db2.gz MTSJZCRWRPCNOG-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545590 500103400 /nfs/dbraw/zinc/10/34/00/500103400.db2.gz XWZPZRHCEAOMNR-OAHLLOKOSA-N 1 3 368.472 3.153 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545590 500103404 /nfs/dbraw/zinc/10/34/04/500103404.db2.gz XWZPZRHCEAOMNR-OAHLLOKOSA-N 1 3 368.472 3.153 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000416800288 500123740 /nfs/dbraw/zinc/12/37/40/500123740.db2.gz FKAKJKNPSSUCSG-HXUWFJFHSA-N 1 3 356.514 3.258 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000416847236 500137030 /nfs/dbraw/zinc/13/70/30/500137030.db2.gz VBADFAVWCWBVKP-SJORKVTESA-N 1 3 364.559 3.092 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417677191 500147132 /nfs/dbraw/zinc/14/71/32/500147132.db2.gz FPDQPRSPUJBXMJ-QKLQHJQFSA-N 1 3 358.530 3.123 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417687884 500149428 /nfs/dbraw/zinc/14/94/28/500149428.db2.gz IHGKSYNHYTWQBO-SFHVURJKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094198 500152206 /nfs/dbraw/zinc/15/22/06/500152206.db2.gz GIMJCMJJLMTCAF-QRVBRYPASA-N 1 3 370.541 3.280 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702894 500152890 /nfs/dbraw/zinc/15/28/90/500152890.db2.gz JEOLDPDOYQXRIN-ICSRJNTNSA-N 1 3 358.530 3.126 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702894 500152892 /nfs/dbraw/zinc/15/28/92/500152892.db2.gz JEOLDPDOYQXRIN-ICSRJNTNSA-N 1 3 358.530 3.126 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000414101261 500153749 /nfs/dbraw/zinc/15/37/49/500153749.db2.gz BQSWKWACLHKKOX-HSALFYBXSA-N 1 3 360.542 3.325 20 0 FGADHO Clc1cccc(-c2noc(CCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455045 506179033 /nfs/dbraw/zinc/17/90/33/506179033.db2.gz NWGJCATYCXLBHL-WBVHZDCISA-N 1 3 360.889 3.397 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430018725 500181830 /nfs/dbraw/zinc/18/18/30/500181830.db2.gz VKCLOKGJSZNFSC-UHFFFAOYSA-N 1 3 365.949 3.246 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950168 500203336 /nfs/dbraw/zinc/20/33/36/500203336.db2.gz VVXYHDUDNBCINY-QHAWAJNXSA-N 1 3 366.509 3.211 20 0 FGADHO COc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217071 /nfs/dbraw/zinc/21/70/71/500217071.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 1 3 352.478 3.364 20 0 FGADHO COc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217073 /nfs/dbraw/zinc/21/70/73/500217073.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 1 3 352.478 3.364 20 0 FGADHO C[C@@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044852 500220005 /nfs/dbraw/zinc/22/00/05/500220005.db2.gz NLHJKCYDZORMOV-UNMCSNQZSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044852 500220006 /nfs/dbraw/zinc/22/00/06/500220006.db2.gz NLHJKCYDZORMOV-UNMCSNQZSA-N 1 3 366.509 3.040 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418181906 500244056 /nfs/dbraw/zinc/24/40/56/500244056.db2.gz JIHDOTCXSBNMKI-VQTJNVASSA-N 1 3 354.498 3.013 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418181906 500244058 /nfs/dbraw/zinc/24/40/58/500244058.db2.gz JIHDOTCXSBNMKI-VQTJNVASSA-N 1 3 354.498 3.013 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C ZINC000418193318 500246924 /nfs/dbraw/zinc/24/69/24/500246924.db2.gz ZIHWHGLNJQGYER-ICSRJNTNSA-N 1 3 372.557 3.161 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000418228326 500252894 /nfs/dbraw/zinc/25/28/94/500252894.db2.gz DSUBUFJBMBIBKK-RBUKOAKNSA-N 1 3 372.538 3.010 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288836 500257003 /nfs/dbraw/zinc/25/70/03/500257003.db2.gz KIOLDJJFSHMMLN-NSHGMRRFSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288836 500257006 /nfs/dbraw/zinc/25/70/06/500257006.db2.gz KIOLDJJFSHMMLN-NSHGMRRFSA-N 1 3 363.521 3.131 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311195 500260745 /nfs/dbraw/zinc/26/07/45/500260745.db2.gz LMRCANDHKNZKRF-JYAXBFRTSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC(C[NH3+])CC1 ZINC000430635304 500264764 /nfs/dbraw/zinc/26/47/64/500264764.db2.gz VACPBGMCFLFGSL-NWDGAFQWSA-N 1 3 358.313 3.230 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000418485318 500282194 /nfs/dbraw/zinc/28/21/94/500282194.db2.gz GXMPDEXKZXIABU-LIRRHRJNSA-N 1 3 374.916 3.462 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCCCN1 ZINC000422701815 500287075 /nfs/dbraw/zinc/28/70/75/500287075.db2.gz CPHKCXGHOHIXFJ-LZWOXQAQSA-N 1 3 352.320 3.148 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]1NCCSCCOc1cccc(Br)c1 ZINC000422710476 500287851 /nfs/dbraw/zinc/28/78/51/500287851.db2.gz LIROPMXJOHQYPP-CABCVRRESA-N 1 3 359.333 3.031 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418530086 500287919 /nfs/dbraw/zinc/28/79/19/500287919.db2.gz VHLHCNUNOPEAGK-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722288 500289791 /nfs/dbraw/zinc/28/97/91/500289791.db2.gz PBYKBBVLFSBXBP-BBRMVZONSA-N 1 3 352.404 3.369 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730330 500291231 /nfs/dbraw/zinc/29/12/31/500291231.db2.gz MBWSTQBLJYRBNS-KCZVDYSFSA-N 1 3 369.484 3.274 20 0 FGADHO CSc1nnc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734110 500291483 /nfs/dbraw/zinc/29/14/83/500291483.db2.gz RVPCAQKWUGBMIG-GVDBMIGSSA-N 1 3 365.591 3.099 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)cc1 ZINC000422754181 500294676 /nfs/dbraw/zinc/29/46/76/500294676.db2.gz JFUUWQHHLFMRCF-LEOXJPRUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422754181 500294677 /nfs/dbraw/zinc/29/46/77/500294677.db2.gz JFUUWQHHLFMRCF-LEOXJPRUSA-N 1 3 367.537 3.380 20 0 FGADHO CCOc1c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328232 506187828 /nfs/dbraw/zinc/18/78/28/506187828.db2.gz QLTZMXIPZGCBEC-LJQANCHMSA-N 1 3 362.562 3.410 20 0 FGADHO COc1ccc([C@H](NCc2cccc(CN(C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422810074 500300924 /nfs/dbraw/zinc/30/09/24/500300924.db2.gz RBUOIMHLMLDVRP-YADHBBJMSA-N 1 3 353.510 3.340 20 0 FGADHO c1ccc2c(c1)CCN2CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812334 500301274 /nfs/dbraw/zinc/30/12/74/500301274.db2.gz XLMLBYNMBVGGRT-OFNKIYASSA-N 1 3 363.505 3.285 20 0 FGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422813664 500301476 /nfs/dbraw/zinc/30/14/76/500301476.db2.gz YKHHXKGTUWPYFA-BDHVOXNPSA-N 1 3 358.526 3.209 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422815501 500301649 /nfs/dbraw/zinc/30/16/49/500301649.db2.gz XRLRVWBLXMYAQN-FGZHOGPDSA-N 1 3 358.574 3.147 20 0 FGADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422833319 500303526 /nfs/dbraw/zinc/30/35/26/500303526.db2.gz MLCSEVBJRQDLAB-GVDBMIGSSA-N 1 3 370.463 3.225 20 0 FGADHO FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)nc1 ZINC000422833319 500303528 /nfs/dbraw/zinc/30/35/28/500303528.db2.gz MLCSEVBJRQDLAB-GVDBMIGSSA-N 1 3 370.463 3.225 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860844 500306596 /nfs/dbraw/zinc/30/65/96/500306596.db2.gz LXJLWEALCLCDLO-OXJNMPFZSA-N 1 3 355.482 3.343 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863454 500307563 /nfs/dbraw/zinc/30/75/63/500307563.db2.gz PBLQEVWKMARJDF-NQSCKRDGSA-N 1 3 351.494 3.357 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689069 500308629 /nfs/dbraw/zinc/30/86/29/500308629.db2.gz UPNAKMGZXIRSNP-UFYCRDLUSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418701416 500309467 /nfs/dbraw/zinc/30/94/67/500309467.db2.gz GGYQOPLZRFZDJF-RTBURBONSA-N 1 3 368.525 3.066 20 0 FGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884056 500310114 /nfs/dbraw/zinc/31/01/14/500310114.db2.gz RNHZPLHZZFXWIG-LEWJYISDSA-N 1 3 367.493 3.454 20 0 FGADHO c1ccc2cc(OCCCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422883916 500310137 /nfs/dbraw/zinc/31/01/37/500310137.db2.gz DGVOQNRIIHYSRO-BHDDXSALSA-N 1 3 354.494 3.355 20 0 FGADHO COc1ccc(OCCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900634 500313727 /nfs/dbraw/zinc/31/37/27/500313727.db2.gz QVBIXDRGDGLCEH-IFMALSPDSA-N 1 3 368.477 3.310 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000422916529 500316025 /nfs/dbraw/zinc/31/60/25/500316025.db2.gz DJQJYNJRJCFZNJ-YLJYHZDGSA-N 1 3 372.557 3.107 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920838 500317121 /nfs/dbraw/zinc/31/71/21/500317121.db2.gz MXDAEABLMNUKMB-GXFFZTMASA-N 1 3 351.800 3.110 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928815 500318528 /nfs/dbraw/zinc/31/85/28/500318528.db2.gz MTUNEJQFUWGSKG-GFCCVEGCSA-N 1 3 361.873 3.167 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768409 500320522 /nfs/dbraw/zinc/32/05/22/500320522.db2.gz MBHMTWDGFKYZRI-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO Fc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960783 500324114 /nfs/dbraw/zinc/32/41/14/500324114.db2.gz XRTGZZXPSFVZLV-QUCCMNQESA-N 1 3 360.404 3.189 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)N1CCc2ccccc21 ZINC000422961334 500324591 /nfs/dbraw/zinc/32/45/91/500324591.db2.gz YWYPJXMWCADHDW-SLFFLAALSA-N 1 3 355.526 3.256 20 0 FGADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1COc2ccccc21 ZINC000423004664 500329665 /nfs/dbraw/zinc/32/96/65/500329665.db2.gz POLLXESDAANQKA-XCRNZQRYSA-N 1 3 350.462 3.397 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423075634 500339567 /nfs/dbraw/zinc/33/95/67/500339567.db2.gz PABBEHCCBQYHCZ-UWHLTILDSA-N 1 3 359.583 3.114 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCCC[C@H]3C[NH3+])c2)n1 ZINC000423080920 500339961 /nfs/dbraw/zinc/33/99/61/500339961.db2.gz UAHIBGCPTYOQED-HOTGVXAUSA-N 1 3 359.495 3.204 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCN1 ZINC000423088126 500340578 /nfs/dbraw/zinc/34/05/78/500340578.db2.gz PNJLRGIHNRJWFG-KMFMINBZSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000423110775 500343805 /nfs/dbraw/zinc/34/38/05/500343805.db2.gz VVQJWASTPUOALA-JXFKEZNVSA-N 1 3 373.928 3.225 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427038766 500347002 /nfs/dbraw/zinc/34/70/02/500347002.db2.gz QOQLQLHLTQUWPV-GOSISDBHSA-N 1 3 372.557 3.235 20 0 FGADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173190 500351104 /nfs/dbraw/zinc/35/11/04/500351104.db2.gz XIJAZCXIVGJGHL-WAGURGNTSA-N 1 3 350.462 3.144 20 0 FGADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302348 500362372 /nfs/dbraw/zinc/36/23/72/500362372.db2.gz HEGJZTCRCVIGDS-UWVGGRQHSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302348 500362375 /nfs/dbraw/zinc/36/23/75/500362375.db2.gz HEGJZTCRCVIGDS-UWVGGRQHSA-N 1 3 351.800 3.260 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423311226 500363585 /nfs/dbraw/zinc/36/35/85/500363585.db2.gz SZIZUJBUPFMYQA-LZLYRXPVSA-N 1 3 351.560 3.257 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)c1 ZINC000423356916 500366572 /nfs/dbraw/zinc/36/65/72/500366572.db2.gz RIXZALDXSSWSTQ-HXUWFJFHSA-N 1 3 353.510 3.481 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)c1 ZINC000423356916 500366574 /nfs/dbraw/zinc/36/65/74/500366574.db2.gz RIXZALDXSSWSTQ-HXUWFJFHSA-N 1 3 353.510 3.481 20 0 FGADHO Cc1cc2c(cc1C)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCS2 ZINC000423397164 500370592 /nfs/dbraw/zinc/37/05/92/500370592.db2.gz UKAFAEVNYCVDFX-RDJZCZTQSA-N 1 3 373.488 3.266 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403715 500370800 /nfs/dbraw/zinc/37/08/00/500370800.db2.gz ZKNDVUBIQUKUAD-KBXCAEBGSA-N 1 3 351.416 3.327 20 0 FGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1I ZINC000423421872 500373644 /nfs/dbraw/zinc/37/36/44/500373644.db2.gz BDEMGAHCCSQWRG-HZUKXOBISA-N 1 3 370.278 3.330 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269741 500375770 /nfs/dbraw/zinc/37/57/70/500375770.db2.gz NCODNCLRPKYQSD-WMLDXEAASA-N 1 3 371.447 3.204 20 0 FGADHO COc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000423451733 500375930 /nfs/dbraw/zinc/37/59/30/500375930.db2.gz YNHMVKVYGCJPEE-XQAQDONZSA-N 1 3 353.304 3.496 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000423479280 500377362 /nfs/dbraw/zinc/37/73/62/500377362.db2.gz UXPPDFBEEGQCHN-RQSWOZRGSA-N 1 3 358.501 3.456 20 0 FGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511469 500380485 /nfs/dbraw/zinc/38/04/85/500380485.db2.gz TUOSZSMKJOHPAQ-DNVCBOLYSA-N 1 3 361.511 3.189 20 0 FGADHO COc1ccc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1O ZINC000423533739 500383787 /nfs/dbraw/zinc/38/37/87/500383787.db2.gz YJMQCPAYUFCSHK-QGZVFWFLSA-N 1 3 369.509 3.045 20 0 FGADHO C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423768924 500400196 /nfs/dbraw/zinc/40/01/96/500400196.db2.gz BQCXAGNMEOGFOH-OALUTQOASA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775577 500400794 /nfs/dbraw/zinc/40/07/94/500400794.db2.gz MJUPIAKBWXHONP-ROUUACIJSA-N 1 3 351.494 3.443 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830264 500430351 /nfs/dbraw/zinc/43/03/51/500430351.db2.gz JHKPEYRKIMGKRU-STZQEDGTSA-N 1 3 365.521 3.316 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000420301020 500436500 /nfs/dbraw/zinc/43/65/00/500436500.db2.gz IHTVRAXKZCJKIM-FQEVSTJZSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000420301020 500436502 /nfs/dbraw/zinc/43/65/02/500436502.db2.gz IHTVRAXKZCJKIM-FQEVSTJZSA-N 1 3 354.494 3.419 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903430 500441577 /nfs/dbraw/zinc/44/15/77/500441577.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903430 500441581 /nfs/dbraw/zinc/44/15/81/500441581.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 1 3 372.557 3.027 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420327552 500442571 /nfs/dbraw/zinc/44/25/71/500442571.db2.gz GOGMERIREANYEG-SJORKVTESA-N 1 3 353.304 3.086 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334338 500443337 /nfs/dbraw/zinc/44/33/37/500443337.db2.gz GFVDKQUNGKQYOD-SFTDATJTSA-N 1 3 355.526 3.204 20 0 FGADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N(Cc1ccccc1)c1ccccc1 ZINC000420334762 500444091 /nfs/dbraw/zinc/44/40/91/500444091.db2.gz LEDKMOLUIQPJDC-OYRHEFFESA-N 1 3 363.505 3.151 20 0 FGADHO [NH3+]C[C@@H](NCCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000420366264 500448370 /nfs/dbraw/zinc/44/83/70/500448370.db2.gz LYVRBUHYYSYNQZ-MRXNPFEDSA-N 1 3 368.319 3.275 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382571 500452040 /nfs/dbraw/zinc/45/20/40/500452040.db2.gz DQZZGOHJRBBCMQ-RDTXWAMCSA-N 1 3 356.869 3.076 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424265814 500478365 /nfs/dbraw/zinc/47/83/65/500478365.db2.gz KHHSIZSLNPSGKY-IBGZPJMESA-N 1 3 358.555 3.043 20 0 FGADHO CC(C)O[C@H](CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428301309 500492985 /nfs/dbraw/zinc/49/29/85/500492985.db2.gz OWMTZGYBMNAPDC-DENIHFKCSA-N 1 3 359.558 3.253 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(O)c(C)c3C)CC2)CC1 ZINC000570582314 506199415 /nfs/dbraw/zinc/19/94/15/506199415.db2.gz SUTPWJZQTRYQBK-UHFFFAOYSA-N 1 3 373.541 3.452 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000420796333 500503101 /nfs/dbraw/zinc/50/31/01/500503101.db2.gz LPDSIZJWSBYHGV-ABHNRTSZSA-N 1 3 366.575 3.303 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)c1 ZINC000424432526 500504416 /nfs/dbraw/zinc/50/44/16/500504416.db2.gz HSCDPNNFBAKEBM-UHFFFAOYSA-N 1 3 354.498 3.486 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000424445265 500506500 /nfs/dbraw/zinc/50/65/00/500506500.db2.gz OGXPQZOZWWGXIU-HXUWFJFHSA-N 1 3 352.482 3.412 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473235 500514943 /nfs/dbraw/zinc/51/49/43/500514943.db2.gz LWRWZPVTGBAXNI-BJESRGMDSA-N 1 3 372.553 3.462 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccccc3C)CC2)CC1 ZINC000420977509 500546774 /nfs/dbraw/zinc/54/67/74/500546774.db2.gz IIMUSKRPJKCYNM-UHFFFAOYSA-N 1 3 359.558 3.256 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCOc3ccccc3C)CC2)CC1 ZINC000420977509 500546776 /nfs/dbraw/zinc/54/67/76/500546776.db2.gz IIMUSKRPJKCYNM-UHFFFAOYSA-N 1 3 359.558 3.256 20 0 FGADHO C[N@H+](CCC1CCOCC1)[C@@H]1CCCN(CCC2CCOCC2)CC1 ZINC000432785226 500563567 /nfs/dbraw/zinc/56/35/67/500563567.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC1CCOCC1)[C@@H]1CCCN(CCC2CCOCC2)CC1 ZINC000432785226 500563569 /nfs/dbraw/zinc/56/35/69/500563569.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 1 3 352.563 3.406 20 0 FGADHO [NH3+]C[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637538 506203642 /nfs/dbraw/zinc/20/36/42/506203642.db2.gz KVTBYTBGMADFRM-INIZCTEOSA-N 1 3 372.431 3.162 20 0 FGADHO NC[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637538 506203644 /nfs/dbraw/zinc/20/36/44/506203644.db2.gz KVTBYTBGMADFRM-INIZCTEOSA-N 1 3 372.431 3.162 20 0 FGADHO NC[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637538 506203647 /nfs/dbraw/zinc/20/36/47/506203647.db2.gz KVTBYTBGMADFRM-INIZCTEOSA-N 1 3 372.431 3.162 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442594247 500602532 /nfs/dbraw/zinc/60/25/32/500602532.db2.gz LQQQQIJKNQMIMQ-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442594247 500602535 /nfs/dbraw/zinc/60/25/35/500602535.db2.gz LQQQQIJKNQMIMQ-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762153 500621844 /nfs/dbraw/zinc/62/18/44/500621844.db2.gz QEMBJILASUOMCI-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762153 500621848 /nfs/dbraw/zinc/62/18/48/500621848.db2.gz QEMBJILASUOMCI-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762153 500621852 /nfs/dbraw/zinc/62/18/52/500621852.db2.gz QEMBJILASUOMCI-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865783 500636322 /nfs/dbraw/zinc/63/63/22/500636322.db2.gz GTTDUEBXQYCIRT-HNNXBMFYSA-N 1 3 373.463 3.304 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662138 /nfs/dbraw/zinc/66/21/38/500662138.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662141 /nfs/dbraw/zinc/66/21/41/500662141.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 1 3 358.448 3.413 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232188 500699519 /nfs/dbraw/zinc/69/95/19/500699519.db2.gz BAKJBCHQSMUBPQ-NVXWUHKLSA-N 1 3 368.591 3.407 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447982216 500700962 /nfs/dbraw/zinc/70/09/62/500700962.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447982216 500700966 /nfs/dbraw/zinc/70/09/66/500700966.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000438051471 500731711 /nfs/dbraw/zinc/73/17/11/500731711.db2.gz QWQWSTPOKCDBSC-FUHWJXTLSA-N 1 3 362.518 3.011 20 0 FGADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000433783833 500743688 /nfs/dbraw/zinc/74/36/88/500743688.db2.gz SKOBASCLCXQEQH-HXUWFJFHSA-N 1 3 363.933 3.370 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000438145602 500745237 /nfs/dbraw/zinc/74/52/37/500745237.db2.gz NMYXSYSALBNBOX-WOJBJXKFSA-N 1 3 362.562 3.053 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000438145602 500745240 /nfs/dbraw/zinc/74/52/40/500745240.db2.gz NMYXSYSALBNBOX-WOJBJXKFSA-N 1 3 362.562 3.053 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000443639626 500747872 /nfs/dbraw/zinc/74/78/72/500747872.db2.gz GVEIIALLUFNWCR-APWZRJJASA-N 1 3 369.475 3.472 20 0 FGADHO CCN1CCC([NH2+]Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000443980523 500786717 /nfs/dbraw/zinc/78/67/17/500786717.db2.gz RQIUFQPWOORCJL-UHFFFAOYSA-N 1 3 355.482 3.243 20 0 FGADHO COc1ccc(CNCCC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000443983740 500787359 /nfs/dbraw/zinc/78/73/59/500787359.db2.gz WTWCDYMAUUBRJE-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO Cc1ccccc1-c1ccccc1C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000449134561 500932644 /nfs/dbraw/zinc/93/26/44/500932644.db2.gz KCOXBQUFIVIKRB-FQEVSTJZSA-N 1 3 365.521 3.339 20 0 FGADHO Cc1ccccc1-c1ccccc1CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134561 500932647 /nfs/dbraw/zinc/93/26/47/500932647.db2.gz KCOXBQUFIVIKRB-FQEVSTJZSA-N 1 3 365.521 3.339 20 0 FGADHO Cc1ccccc1-c1ccccc1CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134561 500932650 /nfs/dbraw/zinc/93/26/50/500932650.db2.gz KCOXBQUFIVIKRB-FQEVSTJZSA-N 1 3 365.521 3.339 20 0 FGADHO COc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000449155341 500936591 /nfs/dbraw/zinc/93/65/91/500936591.db2.gz BFGNPHGJYSSQTO-KRWDZBQOSA-N 1 3 354.494 3.439 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2ccccc2)CC1 ZINC000449167637 500939057 /nfs/dbraw/zinc/93/90/57/500939057.db2.gz AVSIFXDSOLVJBJ-SIKLNZKXSA-N 1 3 352.522 3.448 20 0 FGADHO C[C@@H](CNCC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239142 500955456 /nfs/dbraw/zinc/95/54/56/500955456.db2.gz IEPAQJXQEBKCDU-IRXDYDNUSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@@H](C[NH2+]CC[C@H](C)N1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239142 500955461 /nfs/dbraw/zinc/95/54/61/500955461.db2.gz IEPAQJXQEBKCDU-IRXDYDNUSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247391 500959895 /nfs/dbraw/zinc/95/98/95/500959895.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247391 500959898 /nfs/dbraw/zinc/95/98/98/500959898.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H]([NH3+])C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435375331 500962402 /nfs/dbraw/zinc/96/24/02/500962402.db2.gz MAFRJWHBJIWGIL-KRWDZBQOSA-N 1 3 361.493 3.494 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCCO[C@@H](C)C2)CC1 ZINC000449283367 500965648 /nfs/dbraw/zinc/96/56/48/500965648.db2.gz LMOLOPMQHQPPQT-RTWAWAEBSA-N 1 3 373.585 3.173 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440159847 500982221 /nfs/dbraw/zinc/98/22/21/500982221.db2.gz LGNLVHGKMUWVQA-NRFANRHFSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440159847 500982224 /nfs/dbraw/zinc/98/22/24/500982224.db2.gz LGNLVHGKMUWVQA-NRFANRHFSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698535 501013973 /nfs/dbraw/zinc/01/39/73/501013973.db2.gz WXNQFRHLGNFYLO-SFHVURJKSA-N 1 3 361.555 3.141 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550154 501030625 /nfs/dbraw/zinc/03/06/25/501030625.db2.gz CJKKCSKMVBEBNP-KCZVDYSFSA-N 1 3 371.569 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550154 501030628 /nfs/dbraw/zinc/03/06/28/501030628.db2.gz CJKKCSKMVBEBNP-KCZVDYSFSA-N 1 3 371.569 3.202 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446589537 501138380 /nfs/dbraw/zinc/13/83/80/501138380.db2.gz KWRYGIUHXMDVDZ-IBGZPJMESA-N 1 3 358.530 3.177 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446589537 501138384 /nfs/dbraw/zinc/13/83/84/501138384.db2.gz KWRYGIUHXMDVDZ-IBGZPJMESA-N 1 3 358.530 3.177 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000446611697 501141732 /nfs/dbraw/zinc/14/17/32/501141732.db2.gz ACGGRCVUJVGGHA-AZUAARDMSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141805 /nfs/dbraw/zinc/14/18/05/501141805.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 1 3 369.553 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141809 /nfs/dbraw/zinc/14/18/09/501141809.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 1 3 369.553 3.294 20 0 FGADHO Cc1ccc([C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818270 501168171 /nfs/dbraw/zinc/16/81/71/501168171.db2.gz MURFKZOSXBINEK-SFTDATJTSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccc([C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818270 501168174 /nfs/dbraw/zinc/16/81/74/501168174.db2.gz MURFKZOSXBINEK-SFTDATJTSA-N 1 3 357.542 3.403 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000611637001 506238948 /nfs/dbraw/zinc/23/89/48/506238948.db2.gz LTWWBBBIDRUTEQ-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453126531 501274816 /nfs/dbraw/zinc/27/48/16/501274816.db2.gz SQARMHWETBJXHQ-YPAWHYETSA-N 1 3 371.569 3.130 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453135137 501276365 /nfs/dbraw/zinc/27/63/65/501276365.db2.gz CWTCVRYUZBHWEQ-NRFANRHFSA-N 1 3 355.526 3.181 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCN[C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160799 501282101 /nfs/dbraw/zinc/28/21/01/501282101.db2.gz IANIGVVBJCDPIG-LVCYWYKZSA-N 1 3 368.525 3.127 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCN[C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160799 501282104 /nfs/dbraw/zinc/28/21/04/501282104.db2.gz IANIGVVBJCDPIG-LVCYWYKZSA-N 1 3 368.525 3.127 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453169619 501284192 /nfs/dbraw/zinc/28/41/92/501284192.db2.gz XVWHRGRLMSFKCC-XUVXKRRUSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453169619 501284195 /nfs/dbraw/zinc/28/41/95/501284195.db2.gz XVWHRGRLMSFKCC-XUVXKRRUSA-N 1 3 357.542 3.324 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234377 501295740 /nfs/dbraw/zinc/29/57/40/501295740.db2.gz SGHYOGRHIVUWHO-WBADGQHESA-N 1 3 365.521 3.190 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234377 501295741 /nfs/dbraw/zinc/29/57/41/501295741.db2.gz SGHYOGRHIVUWHO-WBADGQHESA-N 1 3 365.521 3.190 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287835 501308615 /nfs/dbraw/zinc/30/86/15/501308615.db2.gz OPVYVFPJKFRCQT-ZBFHGGJFSA-N 1 3 359.436 3.327 20 0 FGADHO Cn1cc(CN2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592708 501356423 /nfs/dbraw/zinc/35/64/23/501356423.db2.gz AZTABZRODFXICQ-QFIPXVFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000458157337 501381452 /nfs/dbraw/zinc/38/14/52/501381452.db2.gz UTYPTSMWCXETDG-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000458157337 501381453 /nfs/dbraw/zinc/38/14/53/501381453.db2.gz UTYPTSMWCXETDG-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN(C4CCCC4)CC3)ccc21 ZINC000455890625 501408103 /nfs/dbraw/zinc/40/81/03/501408103.db2.gz ZGPQHJLBVLBBEH-HXUWFJFHSA-N 1 3 356.514 3.328 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1F ZINC000458273192 501408478 /nfs/dbraw/zinc/40/84/78/501408478.db2.gz AIWXOKLXJUQXTR-GOSISDBHSA-N 1 3 363.477 3.112 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458424773 501441557 /nfs/dbraw/zinc/44/15/57/501441557.db2.gz VNRHCDYCDVLXOJ-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000458481508 501454578 /nfs/dbraw/zinc/45/45/78/501454578.db2.gz DADXPDMJFQDFKR-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459271214 501622572 /nfs/dbraw/zinc/62/25/72/501622572.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459271214 501622574 /nfs/dbraw/zinc/62/25/74/501622574.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459798408 501715407 /nfs/dbraw/zinc/71/54/07/501715407.db2.gz XRXVHXMIGFZJBT-CYBMUJFWSA-N 1 3 369.303 3.057 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459798408 501715409 /nfs/dbraw/zinc/71/54/09/501715409.db2.gz XRXVHXMIGFZJBT-CYBMUJFWSA-N 1 3 369.303 3.057 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000460168292 501747281 /nfs/dbraw/zinc/74/72/81/501747281.db2.gz JNNQQGQPXQEPKZ-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000460168292 501747284 /nfs/dbraw/zinc/74/72/84/501747284.db2.gz JNNQQGQPXQEPKZ-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467295240 501762885 /nfs/dbraw/zinc/76/28/85/501762885.db2.gz KZHFMXGJUIXWCN-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000485234104 501764466 /nfs/dbraw/zinc/76/44/66/501764466.db2.gz IYRPTQFRKJJTLF-FNAHDJPLSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234104 501764472 /nfs/dbraw/zinc/76/44/72/501764472.db2.gz IYRPTQFRKJJTLF-FNAHDJPLSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234104 501764477 /nfs/dbraw/zinc/76/44/77/501764477.db2.gz IYRPTQFRKJJTLF-FNAHDJPLSA-N 1 3 369.553 3.278 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757933 501792474 /nfs/dbraw/zinc/79/24/74/501792474.db2.gz VYTCZLSGHHEZMY-DHIUTWEWSA-N 1 3 370.537 3.176 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000485390534 501806201 /nfs/dbraw/zinc/80/62/01/501806201.db2.gz QYHOBWIFNCWLBX-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000485390534 501806207 /nfs/dbraw/zinc/80/62/07/501806207.db2.gz QYHOBWIFNCWLBX-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470893025 501844353 /nfs/dbraw/zinc/84/43/53/501844353.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470893025 501844355 /nfs/dbraw/zinc/84/43/55/501844355.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478015647 501853900 /nfs/dbraw/zinc/85/39/00/501853900.db2.gz KGYGWGUVVRHUBU-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000485669294 501895397 /nfs/dbraw/zinc/89/53/97/501895397.db2.gz DYWSYDHJDJJGSR-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000485669294 501895399 /nfs/dbraw/zinc/89/53/99/501895399.db2.gz DYWSYDHJDJJGSR-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481917087 501917692 /nfs/dbraw/zinc/91/76/92/501917692.db2.gz OZLYEXKZJBWSPL-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000471216760 501957503 /nfs/dbraw/zinc/95/75/03/501957503.db2.gz RRTITAWTJCUXPX-BBTUJRGHSA-N 1 3 359.558 3.367 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000478408265 501971260 /nfs/dbraw/zinc/97/12/60/501971260.db2.gz LGDFJFMAFPPFSN-UHFFFAOYSA-N 1 3 374.573 3.190 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000478409573 501972196 /nfs/dbraw/zinc/97/21/96/501972196.db2.gz FEAWLLQSUVPKIO-IBGZPJMESA-N 1 3 360.546 3.019 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(OC)c1 ZINC000482111790 501977769 /nfs/dbraw/zinc/97/77/69/501977769.db2.gz SIJAKMLBTUYLGY-QFIPXVFZSA-N 1 3 368.525 3.343 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000474941709 501999261 /nfs/dbraw/zinc/99/92/61/501999261.db2.gz CANBKEBLUCXSGD-QHCPKHFHSA-N 1 3 369.553 3.233 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000474941709 501999263 /nfs/dbraw/zinc/99/92/63/501999263.db2.gz CANBKEBLUCXSGD-QHCPKHFHSA-N 1 3 369.553 3.233 20 0 FGADHO C[C@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCc1ccccc1 ZINC000474979617 502010339 /nfs/dbraw/zinc/01/03/39/502010339.db2.gz YWTXHLFSEBEBLW-MEMABINQSA-N 1 3 371.569 3.225 20 0 FGADHO C[C@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCc1ccccc1 ZINC000474979617 502010345 /nfs/dbraw/zinc/01/03/45/502010345.db2.gz YWTXHLFSEBEBLW-MEMABINQSA-N 1 3 371.569 3.225 20 0 FGADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)c1ccccc1 ZINC000475141227 502077385 /nfs/dbraw/zinc/07/73/85/502077385.db2.gz VOVOKWZLVXYNGH-GHTZIAJQSA-N 1 3 367.537 3.361 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)CC2 ZINC000482538893 502105430 /nfs/dbraw/zinc/10/54/30/502105430.db2.gz QQQHVYJPIPGYCY-JOCHJYFZSA-N 1 3 354.494 3.455 20 0 FGADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000461445747 502117059 /nfs/dbraw/zinc/11/70/59/502117059.db2.gz FQHPGMZJXSCTET-CEMLEFRQSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000461445747 502117061 /nfs/dbraw/zinc/11/70/61/502117061.db2.gz FQHPGMZJXSCTET-CEMLEFRQSA-N 1 3 369.553 3.231 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475376843 502153577 /nfs/dbraw/zinc/15/35/77/502153577.db2.gz YOOSRXCDGYGDGT-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2ccccc2c1 ZINC000482887103 502207923 /nfs/dbraw/zinc/20/79/23/502207923.db2.gz PDYULCWPPHTUDZ-KRWDZBQOSA-N 1 3 353.510 3.433 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCCC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000465424808 502257737 /nfs/dbraw/zinc/25/77/37/502257737.db2.gz AYOMLKFQHHSWCV-NRFANRHFSA-N 1 3 374.573 3.273 20 0 FGADHO C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014770 502274539 /nfs/dbraw/zinc/27/45/39/502274539.db2.gz NFVJGBPQOVDJRD-OAQYLSRUSA-N 1 3 371.569 3.418 20 0 FGADHO Cc1[nH]nc2ncc(CN3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376859 502334472 /nfs/dbraw/zinc/33/44/72/502334472.db2.gz ZINOPDNGIJZRQN-TZIWHRDSSA-N 1 3 363.509 3.438 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000475933135 502337218 /nfs/dbraw/zinc/33/72/18/502337218.db2.gz ZALGWARUWVITAB-INIZCTEOSA-N 1 3 363.571 3.383 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744684 502367241 /nfs/dbraw/zinc/36/72/41/502367241.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744684 502367247 /nfs/dbraw/zinc/36/72/47/502367247.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526652 502421638 /nfs/dbraw/zinc/42/16/38/502421638.db2.gz SGZUUMKSBZDMEK-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526652 502421646 /nfs/dbraw/zinc/42/16/46/502421646.db2.gz SGZUUMKSBZDMEK-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000465923177 502428658 /nfs/dbraw/zinc/42/86/58/502428658.db2.gz SMFIHPDFLIGZRM-GHTZIAJQSA-N 1 3 372.557 3.345 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465923002 502428985 /nfs/dbraw/zinc/42/89/85/502428985.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465923002 502428988 /nfs/dbraw/zinc/42/89/88/502428988.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567413 502434417 /nfs/dbraw/zinc/43/44/17/502434417.db2.gz JIGPKKFTJBXAHI-HBMCJLEFSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567413 502434418 /nfs/dbraw/zinc/43/44/18/502434418.db2.gz JIGPKKFTJBXAHI-HBMCJLEFSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476216 /nfs/dbraw/zinc/47/62/16/502476216.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476222 /nfs/dbraw/zinc/47/62/22/502476222.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 1 3 374.573 3.410 20 0 FGADHO C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN(C2CCC2)C1 ZINC000487847254 502546547 /nfs/dbraw/zinc/54/65/47/502546547.db2.gz ZWSXSXCVOUFMAQ-YLJYHZDGSA-N 1 3 364.578 3.013 20 0 FGADHO OCC[NH+]1CCC(CNCc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480372412 502550307 /nfs/dbraw/zinc/55/03/07/502550307.db2.gz QLFAQQVSBRACGG-UHFFFAOYSA-N 1 3 350.409 3.019 20 0 FGADHO OCCN1CCC(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480372412 502550313 /nfs/dbraw/zinc/55/03/13/502550313.db2.gz QLFAQQVSBRACGG-UHFFFAOYSA-N 1 3 350.409 3.019 20 0 FGADHO Cc1cc2cc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857797 502570613 /nfs/dbraw/zinc/57/06/13/502570613.db2.gz XRXZFHNYKWVTPJ-YLJYHZDGSA-N 1 3 369.509 3.130 20 0 FGADHO Cc1nn(C(C)C)cc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000462788632 502574026 /nfs/dbraw/zinc/57/40/26/502574026.db2.gz BMGPRVPCYAFSCH-UHFFFAOYSA-N 1 3 369.557 3.464 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469884986 502583313 /nfs/dbraw/zinc/58/33/13/502583313.db2.gz RBXFLLXWEKXPNZ-BVSLBCMMSA-N 1 3 352.526 3.416 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NC[C@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817003 502585708 /nfs/dbraw/zinc/58/57/08/502585708.db2.gz NDSKIKQSFDENIZ-LEWJYISDSA-N 1 3 364.505 3.384 20 0 FGADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000462886592 502614502 /nfs/dbraw/zinc/61/45/02/502614502.db2.gz ZSOSLQGLDOFGRP-UHFFFAOYSA-N 1 3 365.433 3.229 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCCC1)N(C)C ZINC000476984058 502641021 /nfs/dbraw/zinc/64/10/21/502641021.db2.gz PZVVDDAUKFCHBH-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN(C2CCC2)C1 ZINC000488172517 502646456 /nfs/dbraw/zinc/64/64/56/502646456.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN(C2CCC2)C1 ZINC000488172517 502646462 /nfs/dbraw/zinc/64/64/62/502646462.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000477026082 502652832 /nfs/dbraw/zinc/65/28/32/502652832.db2.gz FWOZVFVGKCVCDE-FQEVSTJZSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000477026082 502652836 /nfs/dbraw/zinc/65/28/36/502652836.db2.gz FWOZVFVGKCVCDE-FQEVSTJZSA-N 1 3 357.542 3.087 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000480757282 502663542 /nfs/dbraw/zinc/66/35/42/502663542.db2.gz BATOLHBKTJGQKY-KRWDZBQOSA-N 1 3 359.514 3.428 20 0 FGADHO O=C(C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000484609923 502681793 /nfs/dbraw/zinc/68/17/93/502681793.db2.gz BCTWYQJVMSPZGC-LEWJYISDSA-N 1 3 355.526 3.045 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850939 502688027 /nfs/dbraw/zinc/68/80/27/502688027.db2.gz VXHLPNNXDIJYAL-GHTZIAJQSA-N 1 3 351.494 3.059 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850939 502688034 /nfs/dbraw/zinc/68/80/34/502688034.db2.gz VXHLPNNXDIJYAL-GHTZIAJQSA-N 1 3 351.494 3.059 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484646314 502694980 /nfs/dbraw/zinc/69/49/80/502694980.db2.gz UNXBXRNIEMERII-FPOVZHCZSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478266 502725419 /nfs/dbraw/zinc/72/54/19/502725419.db2.gz BMYXMWSCGCJODI-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478266 502725425 /nfs/dbraw/zinc/72/54/25/502725425.db2.gz BMYXMWSCGCJODI-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481039583 502737462 /nfs/dbraw/zinc/73/74/62/502737462.db2.gz RRHVKWRBSZKEAU-CGXNFDGLSA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2CCN(Cc3ccccn3)CC2)C1 ZINC000481039591 502737512 /nfs/dbraw/zinc/73/75/12/502737512.db2.gz RRWNIUDXHLALSB-RTBURBONSA-N 1 3 358.574 3.392 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000488584018 502757428 /nfs/dbraw/zinc/75/74/28/502757428.db2.gz QHDJOYVARDJJBE-WIYYLYMNSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000488584018 502757433 /nfs/dbraw/zinc/75/74/33/502757433.db2.gz QHDJOYVARDJJBE-WIYYLYMNSA-N 1 3 372.557 3.114 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000463331665 502761137 /nfs/dbraw/zinc/76/11/37/502761137.db2.gz ZUILGXTZBQIZER-KFWWJZLASA-N 1 3 367.921 3.480 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932127 502781127 /nfs/dbraw/zinc/78/11/27/502781127.db2.gz CXQAUEKCXVRZQF-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380944 502831854 /nfs/dbraw/zinc/83/18/54/502831854.db2.gz SXECTPIVBIJYMS-HKUYNNGSSA-N 1 3 363.546 3.486 20 0 FGADHO C[C@H](C(=O)NCC1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027682 502914680 /nfs/dbraw/zinc/91/46/80/502914680.db2.gz KYIIUIBTDOWHRO-GOSISDBHSA-N 1 3 372.557 3.315 20 0 FGADHO Cc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501046686 502921511 /nfs/dbraw/zinc/92/15/11/502921511.db2.gz MLAZFJDEOYWJNA-UHFFFAOYSA-N 1 3 370.472 3.316 20 0 FGADHO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]2C ZINC000501051812 502923259 /nfs/dbraw/zinc/92/32/59/502923259.db2.gz LMOPCIDHVQPBTP-RBUKOAKNSA-N 1 3 359.558 3.419 20 0 FGADHO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]2C ZINC000501051812 502923261 /nfs/dbraw/zinc/92/32/61/502923261.db2.gz LMOPCIDHVQPBTP-RBUKOAKNSA-N 1 3 359.558 3.419 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591700 502943421 /nfs/dbraw/zinc/94/34/21/502943421.db2.gz RABBCQQMMROROT-XMTFNYHQSA-N 1 3 364.534 3.081 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591700 502943426 /nfs/dbraw/zinc/94/34/26/502943426.db2.gz RABBCQQMMROROT-XMTFNYHQSA-N 1 3 364.534 3.081 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736596 502975995 /nfs/dbraw/zinc/97/59/95/502975995.db2.gz AAFAHQBPRJPQPC-QGZVFWFLSA-N 1 3 359.539 3.389 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000489532282 502979997 /nfs/dbraw/zinc/97/99/97/502979997.db2.gz IEVONIFBOAGYCO-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CCCN(C)c1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000505806127 502989538 /nfs/dbraw/zinc/98/95/38/502989538.db2.gz CEGKRXDFOVTQIE-NRFANRHFSA-N 1 3 374.573 3.021 20 0 FGADHO CCCN(C)c1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000505806127 502989541 /nfs/dbraw/zinc/98/95/41/502989541.db2.gz CEGKRXDFOVTQIE-NRFANRHFSA-N 1 3 374.573 3.021 20 0 FGADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000513696847 503002983 /nfs/dbraw/zinc/00/29/83/503002983.db2.gz FHMBURLOFSQZTO-FDFHNCONSA-N 1 3 352.526 3.472 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000501489627 503019359 /nfs/dbraw/zinc/01/93/59/503019359.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000501489627 503019363 /nfs/dbraw/zinc/01/93/63/503019363.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000501489625 503019610 /nfs/dbraw/zinc/01/96/10/503019610.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000501489625 503019613 /nfs/dbraw/zinc/01/96/13/503019613.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 1 3 352.567 3.061 20 0 FGADHO O=C(NCCN1CCCCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497714890 503023087 /nfs/dbraw/zinc/02/30/87/503023087.db2.gz CDWLXHBKAKEJDH-UHFFFAOYSA-N 1 3 372.557 3.348 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000514053810 503076626 /nfs/dbraw/zinc/07/66/26/503076626.db2.gz BEFDBDNEAQWWSX-ACRUOGEOSA-N 1 3 370.541 3.058 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000514053810 503076630 /nfs/dbraw/zinc/07/66/30/503076630.db2.gz BEFDBDNEAQWWSX-ACRUOGEOSA-N 1 3 370.541 3.058 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCCCC1 ZINC000501783566 503079145 /nfs/dbraw/zinc/07/91/45/503079145.db2.gz DJLGTSSALAHJIM-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000501811393 503084334 /nfs/dbraw/zinc/08/43/34/503084334.db2.gz XMVJWSFEJSMYCI-XLIONFOSSA-N 1 3 360.546 3.025 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000514144358 503097573 /nfs/dbraw/zinc/09/75/73/503097573.db2.gz DZAKFXXKUORYQI-NRFANRHFSA-N 1 3 374.573 3.491 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000498106055 503107723 /nfs/dbraw/zinc/10/77/23/503107723.db2.gz FEDYYRNGGRDAER-XLIONFOSSA-N 1 3 360.546 3.160 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000490179356 503124184 /nfs/dbraw/zinc/12/41/84/503124184.db2.gz YOGYWUQNTWIWKL-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F)C1CCCCC1 ZINC000498193948 503127360 /nfs/dbraw/zinc/12/73/60/503127360.db2.gz BZMFXMSYMWOULJ-KRWDZBQOSA-N 1 3 353.457 3.050 20 0 FGADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F)C1CCCCC1 ZINC000498193948 503127361 /nfs/dbraw/zinc/12/73/61/503127361.db2.gz BZMFXMSYMWOULJ-KRWDZBQOSA-N 1 3 353.457 3.050 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000514783827 503192191 /nfs/dbraw/zinc/19/21/91/503192191.db2.gz DTNBVGCOWLJXEL-XLIONFOSSA-N 1 3 358.530 3.084 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929528 503195836 /nfs/dbraw/zinc/19/58/36/503195836.db2.gz GCZAMODEXHFBLJ-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929528 503195839 /nfs/dbraw/zinc/19/58/39/503195839.db2.gz GCZAMODEXHFBLJ-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244093 /nfs/dbraw/zinc/24/40/93/503244093.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244094 /nfs/dbraw/zinc/24/40/94/503244094.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccc(C)c(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000491021625 503261967 /nfs/dbraw/zinc/26/19/67/503261967.db2.gz QHSNKGZXJKKFHN-SFTDATJTSA-N 1 3 359.558 3.030 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN(C)CC[C@H]3C)c2)CC1 ZINC000502763302 503266227 /nfs/dbraw/zinc/26/62/27/503266227.db2.gz OEZZHTAGTKSEOR-LJQANCHMSA-N 1 3 372.557 3.154 20 0 FGADHO CCN(CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792689 503272686 /nfs/dbraw/zinc/27/26/86/503272686.db2.gz DSGCUODQIAOVHX-GOSISDBHSA-N 1 3 372.557 3.434 20 0 FGADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000511224942 503283117 /nfs/dbraw/zinc/28/31/17/503283117.db2.gz WAVNVHIYHZXVOI-HJDVLLJCSA-N 1 3 358.526 3.327 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000507393530 503292479 /nfs/dbraw/zinc/29/24/79/503292479.db2.gz XUMWZJWITGVEQF-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000507393530 503292483 /nfs/dbraw/zinc/29/24/83/503292483.db2.gz XUMWZJWITGVEQF-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507462973 503303337 /nfs/dbraw/zinc/30/33/37/503303337.db2.gz QVUMATYTWDCQBK-FPOVZHCZSA-N 1 3 360.542 3.462 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000502941976 503311940 /nfs/dbraw/zinc/31/19/40/503311940.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000502941976 503311941 /nfs/dbraw/zinc/31/19/41/503311941.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 1 3 372.557 3.154 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330181 /nfs/dbraw/zinc/33/01/81/503330181.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330183 /nfs/dbraw/zinc/33/01/83/503330183.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503033011 503330463 /nfs/dbraw/zinc/33/04/63/503330463.db2.gz NDNYEAXTGPAVCN-PKOBYXMFSA-N 1 3 360.546 3.289 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000499108883 503336197 /nfs/dbraw/zinc/33/61/97/503336197.db2.gz CRNINFCCNASHLI-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000499108883 503336202 /nfs/dbraw/zinc/33/62/02/503336202.db2.gz CRNINFCCNASHLI-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[N@H+](C)C1CC1 ZINC000511562919 503344035 /nfs/dbraw/zinc/34/40/35/503344035.db2.gz XFXRSVABDWITCM-XLIONFOSSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[N@@H+](C)C1CC1 ZINC000511562919 503344038 /nfs/dbraw/zinc/34/40/38/503344038.db2.gz XFXRSVABDWITCM-XLIONFOSSA-N 1 3 372.557 3.069 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511581440 503347783 /nfs/dbraw/zinc/34/77/83/503347783.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511581440 503347789 /nfs/dbraw/zinc/34/77/89/503347789.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511986 503422600 /nfs/dbraw/zinc/42/26/00/503422600.db2.gz CUJWOMNDISUPIC-QFIPXVFZSA-N 1 3 367.537 3.257 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511986 503422602 /nfs/dbraw/zinc/42/26/02/503422602.db2.gz CUJWOMNDISUPIC-QFIPXVFZSA-N 1 3 367.537 3.257 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118036 503449882 /nfs/dbraw/zinc/44/98/82/503449882.db2.gz RERKWPHWWPGAKG-MRXNPFEDSA-N 1 3 362.543 3.251 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892020 503454185 /nfs/dbraw/zinc/45/41/85/503454185.db2.gz RQDSPVWJQSWBHV-HPZZRFSDSA-N 1 3 371.447 3.188 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155323 503456722 /nfs/dbraw/zinc/45/67/22/503456722.db2.gz LTNLXZPMEFYQLA-DENIHFKCSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000493939659 503462658 /nfs/dbraw/zinc/46/26/58/503462658.db2.gz FSVUYJAQDRWQBR-IHPCNDPISA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000516181240 503464201 /nfs/dbraw/zinc/46/42/01/503464201.db2.gz AVKCBLNCEUOHLO-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000516181240 503464206 /nfs/dbraw/zinc/46/42/06/503464206.db2.gz AVKCBLNCEUOHLO-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCC1 ZINC000512137418 503466187 /nfs/dbraw/zinc/46/61/87/503466187.db2.gz HLTCNOPGRZOGHE-AWEZNQCLSA-N 1 3 353.894 3.141 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[NH+]1CCCC1 ZINC000512137418 503466192 /nfs/dbraw/zinc/46/61/92/503466192.db2.gz HLTCNOPGRZOGHE-AWEZNQCLSA-N 1 3 353.894 3.141 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434986 503550316 /nfs/dbraw/zinc/55/03/16/503550316.db2.gz CYUGUICEWSWAEN-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434986 503550323 /nfs/dbraw/zinc/55/03/23/503550323.db2.gz CYUGUICEWSWAEN-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N(C)C ZINC000508902337 503595302 /nfs/dbraw/zinc/59/53/02/503595302.db2.gz WFXJRBMWYWGSDS-QIJZPMMNSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N(C)C ZINC000508902337 503595305 /nfs/dbraw/zinc/59/53/05/503595305.db2.gz WFXJRBMWYWGSDS-QIJZPMMNSA-N 1 3 372.557 3.112 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508905452 503596572 /nfs/dbraw/zinc/59/65/72/503596572.db2.gz KXSAPUOXNAFUGD-UYAOXDASSA-N 1 3 360.546 3.195 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)C ZINC000508909733 503597607 /nfs/dbraw/zinc/59/76/07/503597607.db2.gz XNQLXKMFSQFYGW-ZVDOUQERSA-N 1 3 372.557 3.114 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512667857 503607761 /nfs/dbraw/zinc/60/77/61/503607761.db2.gz RJCMBVPKVKZKLG-SFHLNBCPSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512667857 503607764 /nfs/dbraw/zinc/60/77/64/503607764.db2.gz RJCMBVPKVKZKLG-SFHLNBCPSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512667857 503607766 /nfs/dbraw/zinc/60/77/66/503607766.db2.gz RJCMBVPKVKZKLG-SFHLNBCPSA-N 1 3 369.484 3.490 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000516916967 503618074 /nfs/dbraw/zinc/61/80/74/503618074.db2.gz PZWOLSGUJJFMEL-UYAOXDASSA-N 1 3 360.546 3.012 20 0 FGADHO C[NH+](C)CC1(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)CCCC1 ZINC000517130091 503651711 /nfs/dbraw/zinc/65/17/11/503651711.db2.gz NCTSECKYFAWFLS-CTNGQTDRSA-N 1 3 360.542 3.153 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000517245557 503692784 /nfs/dbraw/zinc/69/27/84/503692784.db2.gz UOIQKIOBQQWWJQ-WMQCIHAUSA-N 1 3 361.574 3.220 20 0 FGADHO COCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169609 503696105 /nfs/dbraw/zinc/69/61/05/503696105.db2.gz FLBIOZKHQSXDDX-ZWOKBUDYSA-N 1 3 352.494 3.382 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727666 /nfs/dbraw/zinc/72/76/66/503727666.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727670 /nfs/dbraw/zinc/72/76/70/503727670.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 1 3 364.578 3.013 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccccc3)c2)C1 ZINC000517453163 503749880 /nfs/dbraw/zinc/74/98/80/503749880.db2.gz YIKOSLRTRRDWAN-CYIGTMLWSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccccc3)c2)C1 ZINC000517453163 503749884 /nfs/dbraw/zinc/74/98/84/503749884.db2.gz YIKOSLRTRRDWAN-CYIGTMLWSA-N 1 3 363.505 3.187 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCCS2 ZINC000527348795 503773289 /nfs/dbraw/zinc/77/32/89/503773289.db2.gz XMXWXGJOFYOJGZ-IBGZPJMESA-N 1 3 363.571 3.239 20 0 FGADHO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)N(C)C1CC1 ZINC000517910711 503864362 /nfs/dbraw/zinc/86/43/62/503864362.db2.gz LARRITPKNRBSMR-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000517924987 503868664 /nfs/dbraw/zinc/86/86/64/503868664.db2.gz CPDQGTFSJWLAAZ-PEVXEQIPSA-N 1 3 358.526 3.048 20 0 FGADHO FC(F)(F)Oc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242429 503891293 /nfs/dbraw/zinc/89/12/93/503891293.db2.gz SCTPATDYLPCRHV-KRWDZBQOSA-N 1 3 358.404 3.176 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C4CCC4)cn3)CC2)CC1 ZINC000518215705 503929797 /nfs/dbraw/zinc/92/97/97/503929797.db2.gz YUGDFKIHZJNNDM-UHFFFAOYSA-N 1 3 370.541 3.484 20 0 FGADHO CCOc1cccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000537621435 503980119 /nfs/dbraw/zinc/98/01/19/503980119.db2.gz PXPVHWDFKQTILP-UHFFFAOYSA-N 1 3 374.573 3.108 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874792 503981966 /nfs/dbraw/zinc/98/19/66/503981966.db2.gz YOEJNKULPIBWSY-GBESFXJTSA-N 1 3 352.881 3.434 20 0 FGADHO CC(C)[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)N1CCCCC1 ZINC000518435122 503983278 /nfs/dbraw/zinc/98/32/78/503983278.db2.gz BJJTYYADONCKFC-HXUWFJFHSA-N 1 3 361.530 3.466 20 0 FGADHO NC[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000518499016 504002036 /nfs/dbraw/zinc/00/20/36/504002036.db2.gz BBAXEQBKVLFENL-CBNMVNINSA-N 1 3 366.509 3.156 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)N(C)C)cc1 ZINC000518594345 504023856 /nfs/dbraw/zinc/02/38/56/504023856.db2.gz YQGPWHUJPVVLLC-WSTZPKSXSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)N(C)C)cc1 ZINC000518594345 504023862 /nfs/dbraw/zinc/02/38/62/504023862.db2.gz YQGPWHUJPVVLLC-WSTZPKSXSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289593 504075186 /nfs/dbraw/zinc/07/51/86/504075186.db2.gz SIUFGXAARWIIKF-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000518963884 504103765 /nfs/dbraw/zinc/10/37/65/504103765.db2.gz RHFILESPBONTDM-FQEVSTJZSA-N 1 3 357.473 3.196 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000537992137 504104967 /nfs/dbraw/zinc/10/49/67/504104967.db2.gz SHHIAGGVLYXTGA-JOCHJYFZSA-N 1 3 359.558 3.384 20 0 FGADHO Cc1nc(C)c(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000530949587 504140013 /nfs/dbraw/zinc/14/00/13/504140013.db2.gz XELYZECEKMRHQG-UHFFFAOYSA-N 1 3 364.603 3.388 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000541509908 504155731 /nfs/dbraw/zinc/15/57/31/504155731.db2.gz QLFUSQIZPZQTQD-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO CCSc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000534495639 504156130 /nfs/dbraw/zinc/15/61/30/504156130.db2.gz ISVQZUDEYCZMAX-MRXNPFEDSA-N 1 3 363.571 3.392 20 0 FGADHO CN(CCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000547658484 504171716 /nfs/dbraw/zinc/17/17/16/504171716.db2.gz XRJPZHZREFECEJ-JOCHJYFZSA-N 1 3 366.509 3.079 20 0 FGADHO CN(CCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000547658484 504171717 /nfs/dbraw/zinc/17/17/17/504171717.db2.gz XRJPZHZREFECEJ-JOCHJYFZSA-N 1 3 366.509 3.079 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCN(CC)CC1 ZINC000528492164 504246504 /nfs/dbraw/zinc/24/65/04/504246504.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 1 3 357.542 3.089 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCN(CC)CC1 ZINC000528492164 504246508 /nfs/dbraw/zinc/24/65/08/504246508.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568265 504256663 /nfs/dbraw/zinc/25/66/63/504256663.db2.gz QMCHHHZWRMPVEG-UCNVEGJOSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568265 504256667 /nfs/dbraw/zinc/25/66/67/504256667.db2.gz QMCHHHZWRMPVEG-UCNVEGJOSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000535003811 504309410 /nfs/dbraw/zinc/30/94/10/504309410.db2.gz BYYAXBQTFKXRIS-XXBNENTESA-N 1 3 367.537 3.300 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000528659704 504317536 /nfs/dbraw/zinc/31/75/36/504317536.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 1 3 371.569 3.380 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000528659704 504317543 /nfs/dbraw/zinc/31/75/43/504317543.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 1 3 371.569 3.380 20 0 FGADHO C[C@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000519751861 504328064 /nfs/dbraw/zinc/32/80/64/504328064.db2.gz XMFSRLSNVFXGEE-CEXWTWQISA-N 1 3 357.542 3.371 20 0 FGADHO C[C@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000519751861 504328069 /nfs/dbraw/zinc/32/80/69/504328069.db2.gz XMFSRLSNVFXGEE-CEXWTWQISA-N 1 3 357.542 3.371 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1C ZINC000538735892 504351002 /nfs/dbraw/zinc/35/10/02/504351002.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 1 3 362.514 3.161 20 0 FGADHO COC(=O)COc1c(C)cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1C ZINC000538735892 504351008 /nfs/dbraw/zinc/35/10/08/504351008.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 1 3 362.514 3.161 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000538763780 504362459 /nfs/dbraw/zinc/36/24/59/504362459.db2.gz UTMVIPNEALDOBX-UHFFFAOYSA-N 1 3 360.502 3.301 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1C ZINC000538773394 504364913 /nfs/dbraw/zinc/36/49/13/504364913.db2.gz MSBVVJQCPCJMGM-FQEVSTJZSA-N 1 3 360.546 3.437 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000538773394 504364918 /nfs/dbraw/zinc/36/49/18/504364918.db2.gz MSBVVJQCPCJMGM-FQEVSTJZSA-N 1 3 360.546 3.437 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923830 504385224 /nfs/dbraw/zinc/38/52/24/504385224.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923830 504385228 /nfs/dbraw/zinc/38/52/28/504385228.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1sccc1Br ZINC000531704194 504398142 /nfs/dbraw/zinc/39/81/42/504398142.db2.gz UQGNZWTWXOOUCS-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1sccc1Br ZINC000531704194 504398145 /nfs/dbraw/zinc/39/81/45/504398145.db2.gz UQGNZWTWXOOUCS-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710978 504583954 /nfs/dbraw/zinc/58/39/54/504583954.db2.gz RUQGHUHNWAAKJY-OPYAIIAOSA-N 1 3 372.557 3.194 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C12CCC2 ZINC000539500233 504591641 /nfs/dbraw/zinc/59/16/41/504591641.db2.gz VIRXHMHIQJEIFW-YADHBBJMSA-N 1 3 371.569 3.261 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000539647548 504638353 /nfs/dbraw/zinc/63/83/53/504638353.db2.gz DAYPYTWSUBZTMN-DYVFJYSZSA-N 1 3 357.901 3.222 20 0 FGADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1c1ccccc1 ZINC000543097619 504724089 /nfs/dbraw/zinc/72/40/89/504724089.db2.gz RRDWDSMADHDEPN-HSQYWUDLSA-N 1 3 365.521 3.260 20 0 FGADHO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000552922995 504789067 /nfs/dbraw/zinc/78/90/67/504789067.db2.gz DDMOVWBIDAJNOH-UZLBHIALSA-N 1 3 360.473 3.020 20 0 FGADHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000556239023 504825831 /nfs/dbraw/zinc/82/58/31/504825831.db2.gz ATPPUWWIMWHZJR-IIBYNOLFSA-N 1 3 373.516 3.342 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)CC(C)C ZINC000549653177 504867753 /nfs/dbraw/zinc/86/77/53/504867753.db2.gz VKBSCCBZQPYSHK-UHFFFAOYSA-N 1 3 363.590 3.467 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1)CC(C)C ZINC000549653177 504867755 /nfs/dbraw/zinc/86/77/55/504867755.db2.gz VKBSCCBZQPYSHK-UHFFFAOYSA-N 1 3 363.590 3.467 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624040 504884204 /nfs/dbraw/zinc/88/42/04/504884204.db2.gz VSBGDBHUQBPACX-FQEVSTJZSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599115 504933916 /nfs/dbraw/zinc/93/39/16/504933916.db2.gz KOHPGCZEHJGYKZ-WIYYLYMNSA-N 1 3 365.521 3.484 20 0 FGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599115 504933920 /nfs/dbraw/zinc/93/39/20/504933920.db2.gz KOHPGCZEHJGYKZ-WIYYLYMNSA-N 1 3 365.521 3.484 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000565865603 505009301 /nfs/dbraw/zinc/00/93/01/505009301.db2.gz CVSHWSLNFHKOQR-IAGOWNOFSA-N 1 3 366.575 3.305 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000565865603 505009305 /nfs/dbraw/zinc/00/93/05/505009305.db2.gz CVSHWSLNFHKOQR-IAGOWNOFSA-N 1 3 366.575 3.305 20 0 FGADHO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)n1 ZINC000560268830 505034716 /nfs/dbraw/zinc/03/47/16/505034716.db2.gz QCIKQUNHDBBQPB-QGZVFWFLSA-N 1 3 369.509 3.284 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092195 505077335 /nfs/dbraw/zinc/07/73/35/505077335.db2.gz OXQBEVDQIFMCPK-DPAVQSFQSA-N 1 3 359.905 3.268 20 0 FGADHO COC[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1F ZINC000554073610 505081576 /nfs/dbraw/zinc/08/15/76/505081576.db2.gz YZBYPYDVHJBZGE-GOSISDBHSA-N 1 3 371.928 3.030 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCO1 ZINC000563300009 505100907 /nfs/dbraw/zinc/10/09/07/505100907.db2.gz ABLMWMQYJISVSS-JBACZVJFSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[NH+]1CCCCCC1 ZINC000560489685 505102002 /nfs/dbraw/zinc/10/20/02/505102002.db2.gz GUPFCCCAKUQHRP-GOSISDBHSA-N 1 3 366.509 3.148 20 0 FGADHO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524500 505114829 /nfs/dbraw/zinc/11/48/29/505114829.db2.gz DFLANTLPYIIMKQ-NJDAHSKKSA-N 1 3 369.553 3.313 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)N(C)C)cc1 ZINC000554217070 505117996 /nfs/dbraw/zinc/11/79/96/505117996.db2.gz UYYDYUNQVKVFOO-WMQCIHAUSA-N 1 3 372.557 3.120 20 0 FGADHO C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556400 505125713 /nfs/dbraw/zinc/12/57/13/505125713.db2.gz BNBFIIOKPCBXMM-MRDQGFSESA-N 1 3 374.550 3.356 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460602 505146271 /nfs/dbraw/zinc/14/62/71/505146271.db2.gz MEKNOJATOKCOEX-HNNXBMFYSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460602 505146277 /nfs/dbraw/zinc/14/62/77/505146277.db2.gz MEKNOJATOKCOEX-HNNXBMFYSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460603 505146535 /nfs/dbraw/zinc/14/65/35/505146535.db2.gz MEKNOJATOKCOEX-OAHLLOKOSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460603 505146540 /nfs/dbraw/zinc/14/65/40/505146540.db2.gz MEKNOJATOKCOEX-OAHLLOKOSA-N 1 3 371.485 3.442 20 0 FGADHO Cc1ccccc1[C@H](CC(C)C)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557484131 505147255 /nfs/dbraw/zinc/14/72/55/505147255.db2.gz ALMCKIQHINSDBO-NRFANRHFSA-N 1 3 357.542 3.415 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCN2CCC1CC2 ZINC000551218669 505179980 /nfs/dbraw/zinc/17/99/80/505179980.db2.gz WNXTYWNCKTUEDZ-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554549628 505204029 /nfs/dbraw/zinc/20/40/29/505204029.db2.gz FACCCIHTLNBWAQ-RYQLBKOJSA-N 1 3 355.448 3.123 20 0 FGADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554549628 505204031 /nfs/dbraw/zinc/20/40/31/505204031.db2.gz FACCCIHTLNBWAQ-RYQLBKOJSA-N 1 3 355.448 3.123 20 0 FGADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)cc1 ZINC000566555961 505205213 /nfs/dbraw/zinc/20/52/13/505205213.db2.gz CDHNUCBMBCJNMQ-IBGZPJMESA-N 1 3 374.550 3.298 20 0 FGADHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000563874862 505264188 /nfs/dbraw/zinc/26/41/88/505264188.db2.gz QFGWPPVFZDCDLV-HLAWJBBLSA-N 1 3 372.557 3.147 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)N(C)C)cc1 ZINC000567019501 505341233 /nfs/dbraw/zinc/34/12/33/505341233.db2.gz JCNIAJZUXKIWRC-OALUTQOASA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC000567019501 505341235 /nfs/dbraw/zinc/34/12/35/505341235.db2.gz JCNIAJZUXKIWRC-OALUTQOASA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)N(C)C)cc1 ZINC000567019501 505341238 /nfs/dbraw/zinc/34/12/38/505341238.db2.gz JCNIAJZUXKIWRC-OALUTQOASA-N 1 3 363.571 3.390 20 0 FGADHO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552056636 505383847 /nfs/dbraw/zinc/38/38/47/505383847.db2.gz MHSPAPPUPFODCL-UDFFUHSHSA-N 1 3 372.553 3.197 20 0 FGADHO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552056635 505384116 /nfs/dbraw/zinc/38/41/16/505384116.db2.gz MHSPAPPUPFODCL-PZYNUVDYSA-N 1 3 372.553 3.197 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000561784857 505437308 /nfs/dbraw/zinc/43/73/08/505437308.db2.gz LKRQRCVNCJXDJP-WOJBJXKFSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000561784857 505437314 /nfs/dbraw/zinc/43/73/14/505437314.db2.gz LKRQRCVNCJXDJP-WOJBJXKFSA-N 1 3 369.553 3.444 20 0 FGADHO O=C(N1CCCC1)N1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000552325561 505461190 /nfs/dbraw/zinc/46/11/90/505461190.db2.gz XANFIEFPFRPQQV-LJQANCHMSA-N 1 3 362.562 3.053 20 0 FGADHO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000552325561 505461192 /nfs/dbraw/zinc/46/11/92/505461192.db2.gz XANFIEFPFRPQQV-LJQANCHMSA-N 1 3 362.562 3.053 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@H]1C ZINC000567515845 505485790 /nfs/dbraw/zinc/48/57/90/505485790.db2.gz DISSCYYAJLERAC-VVWQDTPRSA-N 1 3 363.933 3.022 20 0 FGADHO CC(C)(C)N1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904260 506481972 /nfs/dbraw/zinc/48/19/72/506481972.db2.gz JBFNGVNTSFQUJI-OALUTQOASA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)(C)N1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904260 506481977 /nfs/dbraw/zinc/48/19/77/506481977.db2.gz JBFNGVNTSFQUJI-OALUTQOASA-N 1 3 355.526 3.173 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(I)cc1 ZINC000596651197 506511825 /nfs/dbraw/zinc/51/18/25/506511825.db2.gz BFOYLCBIXBYEPT-CABCVRRESA-N 1 3 358.267 3.083 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(C)C ZINC000608616173 506633540 /nfs/dbraw/zinc/63/35/40/506633540.db2.gz VNMHOSVVPPHVLO-FQEVSTJZSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673414 506659297 /nfs/dbraw/zinc/65/92/97/506659297.db2.gz OLSDHCQQXHGOAG-PZJWPPBQSA-N 1 3 372.557 3.040 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673414 506659300 /nfs/dbraw/zinc/65/93/00/506659300.db2.gz OLSDHCQQXHGOAG-PZJWPPBQSA-N 1 3 372.557 3.040 20 0 FGADHO C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693368 506668926 /nfs/dbraw/zinc/66/89/26/506668926.db2.gz PWDDOPOZTXNQEA-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604157869 506729444 /nfs/dbraw/zinc/72/94/44/506729444.db2.gz PYWKRLIYIMGPMK-NRFANRHFSA-N 1 3 372.557 3.386 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193598 506745542 /nfs/dbraw/zinc/74/55/42/506745542.db2.gz BEXPVYRRFXAPDN-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193598 506745547 /nfs/dbraw/zinc/74/55/47/506745547.db2.gz BEXPVYRRFXAPDN-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO COC(=O)c1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000597047936 506749435 /nfs/dbraw/zinc/74/94/35/506749435.db2.gz SEZOCGIZQLUKHC-HZPDHXFCSA-N 1 3 350.478 3.460 20 0 FGADHO CCc1oc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C(=O)OC ZINC000597191958 506825139 /nfs/dbraw/zinc/82/51/39/506825139.db2.gz NDDZRGWQJGRCCL-UHFFFAOYSA-N 1 3 371.481 3.025 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594105047 506941581 /nfs/dbraw/zinc/94/15/81/506941581.db2.gz WYUQRGYNLLJWOF-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)oc1C ZINC000583746943 506950102 /nfs/dbraw/zinc/95/01/02/506950102.db2.gz BGUPLSGRGKGNSN-VQTJNVASSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1nc(CN2CCC(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)oc1C ZINC000583746943 506950106 /nfs/dbraw/zinc/95/01/06/506950106.db2.gz BGUPLSGRGKGNSN-VQTJNVASSA-N 1 3 354.498 3.238 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000583920553 507050880 /nfs/dbraw/zinc/05/08/80/507050880.db2.gz JQRATCKVAMLOAT-HXUWFJFHSA-N 1 3 372.557 3.037 20 0 FGADHO CCCC[NH+]1CCC(NCC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600720521 507082168 /nfs/dbraw/zinc/08/21/68/507082168.db2.gz HQSFUCWUHYLSNX-UHFFFAOYSA-N 1 3 368.562 3.104 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835570 507140819 /nfs/dbraw/zinc/14/08/19/507140819.db2.gz FUAIFKHEQCAAKB-NRFANRHFSA-N 1 3 372.557 3.346 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000600887431 507163164 /nfs/dbraw/zinc/16/31/64/507163164.db2.gz KIOWWDJOXJGVEP-UYAOXDASSA-N 1 3 374.573 3.489 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000600887431 507163168 /nfs/dbraw/zinc/16/31/68/507163168.db2.gz KIOWWDJOXJGVEP-UYAOXDASSA-N 1 3 374.573 3.489 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000605374245 507165198 /nfs/dbraw/zinc/16/51/98/507165198.db2.gz SQXAHKKCIFZTBS-UYAOXDASSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N1CCCC1 ZINC000591430852 507247851 /nfs/dbraw/zinc/24/78/51/507247851.db2.gz VRZGAMGCFWQSFV-MOPGFXCFSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N1CCCC1 ZINC000591430852 507247853 /nfs/dbraw/zinc/24/78/53/507247853.db2.gz VRZGAMGCFWQSFV-MOPGFXCFSA-N 1 3 373.541 3.154 20 0 FGADHO CSCc1cnc(CNCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000594970371 507336782 /nfs/dbraw/zinc/33/67/82/507336782.db2.gz ZSABRJLIWLFZIP-UHFFFAOYSA-N 1 3 362.568 3.403 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CSCCF)CC1 ZINC000595009131 507352634 /nfs/dbraw/zinc/35/26/34/507352634.db2.gz DNRQFMUCFIBURO-QGZVFWFLSA-N 1 3 353.551 3.005 20 0 FGADHO NC[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459717 507358188 /nfs/dbraw/zinc/35/81/88/507358188.db2.gz MOKYVLJGHFGANO-LEWJYISDSA-N 1 3 366.509 3.013 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1C ZINC000595069612 507377562 /nfs/dbraw/zinc/37/75/62/507377562.db2.gz ZWGPAXUPHWHVKV-DUXKGJEZSA-N 1 3 373.541 3.251 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000584617432 507432241 /nfs/dbraw/zinc/43/22/41/507432241.db2.gz UCTSRYYMIGWNSM-TZIWHRDSSA-N 1 3 358.530 3.054 20 0 FGADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000584663722 507438131 /nfs/dbraw/zinc/43/81/31/507438131.db2.gz KBSCJTPUZNYWLH-QFIPXVFZSA-N 1 3 365.521 3.137 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606692345 507484130 /nfs/dbraw/zinc/48/41/30/507484130.db2.gz QAHFPHYLRRLVCQ-ZWKOTPCHSA-N 1 3 372.557 3.242 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825413060 608494941 /nfs/dbraw/zinc/49/49/41/608494941.db2.gz WZIWYLSVWSPLFF-HNAYVOBHSA-N 1 3 356.518 3.344 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825413060 608494945 /nfs/dbraw/zinc/49/49/45/608494945.db2.gz WZIWYLSVWSPLFF-HNAYVOBHSA-N 1 3 356.518 3.344 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935389 608501617 /nfs/dbraw/zinc/50/16/17/608501617.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935389 608501618 /nfs/dbraw/zinc/50/16/18/608501618.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935389 608501619 /nfs/dbraw/zinc/50/16/19/608501619.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935389 608501620 /nfs/dbraw/zinc/50/16/20/608501620.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585488 609132837 /nfs/dbraw/zinc/13/28/37/609132837.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585488 609132838 /nfs/dbraw/zinc/13/28/38/609132838.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585488 609132839 /nfs/dbraw/zinc/13/28/39/609132839.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585488 609132840 /nfs/dbraw/zinc/13/28/40/609132840.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 1 3 360.481 3.311 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1CN1CCCCC1 ZINC000183011413 705873915 /nfs/dbraw/zinc/87/39/15/705873915.db2.gz HZCLOPQGKVIZDS-LPHOPBHVSA-N 1 3 366.571 3.446 20 0 FGADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187289309 712738071 /nfs/dbraw/zinc/73/80/71/712738071.db2.gz UZGUOGJMOOEBBO-UKRRQHHQSA-N 1 3 373.335 3.471 20 0 FGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185665 713548481 /nfs/dbraw/zinc/54/84/81/713548481.db2.gz WSNGCTCCBWLHNR-PXNSSMCTSA-N 1 3 353.551 3.488 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885020 713613226 /nfs/dbraw/zinc/61/32/26/713613226.db2.gz OKBWXXQWXXOKFG-SQNIBIBYSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885020 713613229 /nfs/dbraw/zinc/61/32/29/713613229.db2.gz OKBWXXQWXXOKFG-SQNIBIBYSA-N 1 3 353.551 3.390 20 0 FGADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457571 713982140 /nfs/dbraw/zinc/98/21/40/713982140.db2.gz ZINOEYSWLKWZAW-ROUUACIJSA-N 1 3 353.551 3.391 20 0 FGADHO COc1c(Br)cccc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432344880 714022899 /nfs/dbraw/zinc/02/28/99/714022899.db2.gz CFHVVTQFEXKKHV-CQSZACIVSA-N 1 3 371.319 3.048 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812591 714253974 /nfs/dbraw/zinc/25/39/74/714253974.db2.gz MFWIVYLLIIEXDK-SJLPKXTDSA-N 1 3 366.575 3.161 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812591 714253976 /nfs/dbraw/zinc/25/39/76/714253976.db2.gz MFWIVYLLIIEXDK-SJLPKXTDSA-N 1 3 366.575 3.161 20 0 FGADHO CN(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)CC(F)F ZINC000624329108 715512323 /nfs/dbraw/zinc/51/23/23/715512323.db2.gz MGJZRLZMDRNZES-OTWHNJEPSA-N 1 3 351.485 3.216 20 0 FGADHO CN(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)CC(F)F ZINC000624329108 715512327 /nfs/dbraw/zinc/51/23/27/715512327.db2.gz MGJZRLZMDRNZES-OTWHNJEPSA-N 1 3 351.485 3.216 20 0 FGADHO C[C@@]1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272122 716133136 /nfs/dbraw/zinc/13/31/36/716133136.db2.gz DRXXXVFWIZSJSX-SFTDATJTSA-N 1 3 359.583 3.164 20 0 FGADHO C[C@@]1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272122 716133141 /nfs/dbraw/zinc/13/31/41/716133141.db2.gz DRXXXVFWIZSJSX-SFTDATJTSA-N 1 3 359.583 3.164 20 0 FGADHO C[C@@]1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272121 716133255 /nfs/dbraw/zinc/13/32/55/716133255.db2.gz DRXXXVFWIZSJSX-RTWAWAEBSA-N 1 3 359.583 3.164 20 0 FGADHO C[C@@]1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272121 716133256 /nfs/dbraw/zinc/13/32/56/716133256.db2.gz DRXXXVFWIZSJSX-RTWAWAEBSA-N 1 3 359.583 3.164 20 0 FGADHO C[NH2+]CCOCCN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000629530990 716304133 /nfs/dbraw/zinc/30/41/33/716304133.db2.gz WVMOFSHINYJAOG-OAHLLOKOSA-N 1 3 361.711 3.379 20 0 FGADHO CC(C)(O)C[NH+]1CCC(NCCc2csc(-c3ccccc3)n2)CC1 ZINC000638307669 717432680 /nfs/dbraw/zinc/43/26/80/717432680.db2.gz RALPUUYMOKMNLS-UHFFFAOYSA-N 1 3 359.539 3.178 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758515 717598868 /nfs/dbraw/zinc/59/88/68/717598868.db2.gz VVYNMHFYEQEUMV-IRXDYDNUSA-N 1 3 361.555 3.218 20 0 FGADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759857 717599682 /nfs/dbraw/zinc/59/96/82/717599682.db2.gz LXNFLOHVOAXKSS-QGZVFWFLSA-N 1 3 361.555 3.002 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1SCCc2ccccc21 ZINC000644584916 718128907 /nfs/dbraw/zinc/12/89/07/718128907.db2.gz VABQAROBCNLSQH-FPOVZHCZSA-N 1 3 356.535 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1SCCc2ccccc21 ZINC000644584916 718128910 /nfs/dbraw/zinc/12/89/10/718128910.db2.gz VABQAROBCNLSQH-FPOVZHCZSA-N 1 3 356.535 3.100 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000645159427 718188291 /nfs/dbraw/zinc/18/82/91/718188291.db2.gz ALONTSRWORKSLT-MSOLQXFVSA-N 1 3 366.575 3.257 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000645159427 718188293 /nfs/dbraw/zinc/18/82/93/718188293.db2.gz ALONTSRWORKSLT-MSOLQXFVSA-N 1 3 366.575 3.257 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647172094 718337434 /nfs/dbraw/zinc/33/74/34/718337434.db2.gz HZXFEMLXBOMVBN-UHFFFAOYSA-N 1 3 351.485 3.492 20 0 FGADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000654299569 719181084 /nfs/dbraw/zinc/18/10/84/719181084.db2.gz JBOXBRIBMSMEGM-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655711820 719328524 /nfs/dbraw/zinc/32/85/24/719328524.db2.gz NFASYTMRWUHJMC-UYAOXDASSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)[C@@]3(O)CCCOC3)CC2)C1 ZINC000658313074 719784854 /nfs/dbraw/zinc/78/48/54/719784854.db2.gz WQUBIBSOKSUIRG-YFVAEKQCSA-N 1 3 352.563 3.187 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659285860 719891342 /nfs/dbraw/zinc/89/13/42/719891342.db2.gz SIYZMJZUVFTQOS-UHFFFAOYSA-N 1 3 359.539 3.144 20 0 FGADHO CO[C@H](CN1CCC[C@@H]([N@H+](C)C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993463 /nfs/dbraw/zinc/99/34/63/719993463.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN1CCC[C@@H]([N@@H+](C)C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993465 /nfs/dbraw/zinc/99/34/65/719993465.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN(C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993467 /nfs/dbraw/zinc/99/34/67/719993467.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN(C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993469 /nfs/dbraw/zinc/99/34/69/719993469.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 1 3 352.563 3.403 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094475 /nfs/dbraw/zinc/09/44/75/720094475.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 1 3 356.432 3.027 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094479 /nfs/dbraw/zinc/09/44/79/720094479.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 1 3 356.432 3.027 20 0 FGADHO Cc1ccc(SCCNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662314594 720414610 /nfs/dbraw/zinc/41/46/10/720414610.db2.gz OHZRQKPNZXRSJS-IEBWSBKVSA-N 1 3 363.571 3.043 20 0 FGADHO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639198 720794584 /nfs/dbraw/zinc/79/45/84/720794584.db2.gz PLZOYBUHGDNDJB-DOTOQJQBSA-N 1 3 366.575 3.039 20 0 FGADHO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639198 720794587 /nfs/dbraw/zinc/79/45/87/720794587.db2.gz PLZOYBUHGDNDJB-DOTOQJQBSA-N 1 3 366.575 3.039 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000678747492 721975485 /nfs/dbraw/zinc/97/54/85/721975485.db2.gz YYDSCOMLGKVZRP-SJLPKXTDSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554757 722415963 /nfs/dbraw/zinc/41/59/63/722415963.db2.gz YCEGUXKHFIMCEH-SZMVWBNQSA-N 1 3 353.551 3.484 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)cc1CN1CCCCC1 ZINC000775416887 723989793 /nfs/dbraw/zinc/98/97/93/723989793.db2.gz ZLOMAQOHAJTBIG-TZPNTHKFSA-N 1 3 366.571 3.489 20 0 FGADHO O[C@@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCCC1 ZINC000775872588 724076128 /nfs/dbraw/zinc/07/61/28/724076128.db2.gz VSTBJTUMSVYDPX-IRXDYDNUSA-N 1 3 371.294 3.086 20 0 FGADHO C[NH+](C)CC[C@@H](NC[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082300 727345577 /nfs/dbraw/zinc/34/55/77/727345577.db2.gz PGXMZFHBUJDQTM-HZPDHXFCSA-N 1 3 357.336 3.439 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823736474 729301997 /nfs/dbraw/zinc/30/19/97/729301997.db2.gz CNYUQLGSXCHQEI-OKZBNKHCSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292939 729329022 /nfs/dbraw/zinc/32/90/22/729329022.db2.gz WOLVWIVIEINHRA-KZNAEPCWSA-N 1 3 353.551 3.438 20 0 FGADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292939 729329024 /nfs/dbraw/zinc/32/90/24/729329024.db2.gz WOLVWIVIEINHRA-KZNAEPCWSA-N 1 3 353.551 3.438 20 0 FGADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513347 729808892 /nfs/dbraw/zinc/80/88/92/729808892.db2.gz KYBYIXLCGXZHLA-XLAORIBOSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513347 729808894 /nfs/dbraw/zinc/80/88/94/729808894.db2.gz KYBYIXLCGXZHLA-XLAORIBOSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000840883553 730187773 /nfs/dbraw/zinc/18/77/73/730187773.db2.gz FRQGKVZIMPCZNH-MRXNPFEDSA-N 1 3 359.901 3.413 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000841075629 730208025 /nfs/dbraw/zinc/20/80/25/730208025.db2.gz TVECFNMVPSAALQ-LZBKUMLDSA-N 1 3 366.571 3.488 20 0 FGADHO Brc1ccc2nc(CN[C@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000841078721 730208403 /nfs/dbraw/zinc/20/84/03/730208403.db2.gz JCPSBUNNVLQWSG-ZDUSSCGKSA-N 1 3 352.301 3.291 20 0 FGADHO C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398373 730614458 /nfs/dbraw/zinc/61/44/58/730614458.db2.gz IBWKPPQAEBDXLF-MAUKXSAKSA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000853084554 731662175 /nfs/dbraw/zinc/66/21/75/731662175.db2.gz QWXWFSAGZUIWDP-ROUUACIJSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084554 731662177 /nfs/dbraw/zinc/66/21/77/731662177.db2.gz QWXWFSAGZUIWDP-ROUUACIJSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853084554 731662182 /nfs/dbraw/zinc/66/21/82/731662182.db2.gz QWXWFSAGZUIWDP-ROUUACIJSA-N 1 3 351.535 3.098 20 0 FGADHO CC[C@@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858500532 732220908 /nfs/dbraw/zinc/22/09/08/732220908.db2.gz IJMUZIFATNKZCW-ZWKOTPCHSA-N 1 3 351.535 3.238 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109574 736060353 /nfs/dbraw/zinc/06/03/53/736060353.db2.gz PPZWGKDINVHCDE-UHFFFAOYSA-N 1 3 366.575 3.084 20 0 FGADHO CN(CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525875 739264757 /nfs/dbraw/zinc/26/47/57/739264757.db2.gz ADRBOQWBAYLYTP-BZSNNMDCSA-N 1 3 355.448 3.123 20 0 FGADHO CN(CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525875 739264764 /nfs/dbraw/zinc/26/47/64/739264764.db2.gz ADRBOQWBAYLYTP-BZSNNMDCSA-N 1 3 355.448 3.123 20 0 FGADHO CN(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000886525875 739264767 /nfs/dbraw/zinc/26/47/67/739264767.db2.gz ADRBOQWBAYLYTP-BZSNNMDCSA-N 1 3 355.448 3.123 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328280 742140944 /nfs/dbraw/zinc/14/09/44/742140944.db2.gz WPJQOLHVXQOXLA-OALUTQOASA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328280 742140948 /nfs/dbraw/zinc/14/09/48/742140948.db2.gz WPJQOLHVXQOXLA-OALUTQOASA-N 1 3 350.478 3.250 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cscc3Cl)CC2)CC1 ZINC000899243589 742897149 /nfs/dbraw/zinc/89/71/49/742897149.db2.gz BEYOHOBUZCRLDK-UHFFFAOYSA-N 1 3 369.962 3.214 20 0 FGADHO Cc1cccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765134 743881608 /nfs/dbraw/zinc/88/16/08/743881608.db2.gz YPVWKDFUVIROFO-USXIJHARSA-N 1 3 367.331 3.476 20 0 FGADHO O=C(c1ccccc1Cl)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832961 743886948 /nfs/dbraw/zinc/88/69/48/743886948.db2.gz ULECMVQXEWDSFH-OXJNMPFZSA-N 1 3 362.901 3.003 20 0 FGADHO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H](N)CC(F)F)cc1OC ZINC000903904418 743894565 /nfs/dbraw/zinc/89/45/65/743894565.db2.gz UXYLDCOESVBJGD-HZPDHXFCSA-N 1 3 356.457 3.473 20 0 FGADHO COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@H](N)CC(F)F)cc1OC ZINC000903904418 743894568 /nfs/dbraw/zinc/89/45/68/743894568.db2.gz UXYLDCOESVBJGD-HZPDHXFCSA-N 1 3 356.457 3.473 20 0 FGADHO COCC[N@H+](C)CCCNCc1c(-c2ccccc2)nc2sccn12 ZINC000915256718 757909106 /nfs/dbraw/zinc/90/91/06/757909106.db2.gz FHSFYMQYMYAPBB-UHFFFAOYSA-N 1 3 358.511 3.121 20 0 FGADHO COCC[N@@H+](C)CCCNCc1c(-c2ccccc2)nc2sccn12 ZINC000915256718 757909110 /nfs/dbraw/zinc/90/91/10/757909110.db2.gz FHSFYMQYMYAPBB-UHFFFAOYSA-N 1 3 358.511 3.121 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388221 758910378 /nfs/dbraw/zinc/91/03/78/758910378.db2.gz NOGKSPHJYYJBDP-MLYOOKFZSA-N 1 3 363.571 3.370 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388221 758910382 /nfs/dbraw/zinc/91/03/82/758910382.db2.gz NOGKSPHJYYJBDP-MLYOOKFZSA-N 1 3 363.571 3.370 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388526 758910715 /nfs/dbraw/zinc/91/07/15/758910715.db2.gz QUNZSDBPCSPEPW-JEWRLFTDSA-N 1 3 351.560 3.010 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388526 758910721 /nfs/dbraw/zinc/91/07/21/758910721.db2.gz QUNZSDBPCSPEPW-JEWRLFTDSA-N 1 3 351.560 3.010 20 0 FGADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccsc1 ZINC000924657570 759369097 /nfs/dbraw/zinc/36/90/97/759369097.db2.gz HYEMOMGDNHUTKX-NXEWRWPSSA-N 1 3 365.587 3.362 20 0 FGADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccsc1 ZINC000924657570 759369107 /nfs/dbraw/zinc/36/91/07/759369107.db2.gz HYEMOMGDNHUTKX-NXEWRWPSSA-N 1 3 365.587 3.362 20 0 FGADHO C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924723418 759376788 /nfs/dbraw/zinc/37/67/88/759376788.db2.gz YKTZPACLCFYKPS-INIZCTEOSA-N 1 3 360.523 3.144 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476596 759494467 /nfs/dbraw/zinc/49/44/67/759494467.db2.gz HIWITYGNVXSWAA-QLKQHDGRSA-N 1 3 364.331 3.146 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858197 759561484 /nfs/dbraw/zinc/56/14/84/759561484.db2.gz UGSHVUZBRTYEIK-STQMWFEESA-N 1 3 356.388 3.041 20 0 FGADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562976 /nfs/dbraw/zinc/56/29/76/764562976.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 1 3 361.555 3.010 20 0 FGADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562981 /nfs/dbraw/zinc/56/29/81/764562981.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 1 3 361.555 3.010 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC001022109723 765974309 /nfs/dbraw/zinc/97/43/09/765974309.db2.gz SIIVUJINPWDHDS-CYJAXWMASA-N 1 3 363.933 3.116 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001022109723 765974314 /nfs/dbraw/zinc/97/43/14/765974314.db2.gz SIIVUJINPWDHDS-CYJAXWMASA-N 1 3 363.933 3.116 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000072041960 221398921 /nfs/dbraw/zinc/39/89/21/221398921.db2.gz WEHOWYIRNVFVBS-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000072041960 221398923 /nfs/dbraw/zinc/39/89/23/221398923.db2.gz WEHOWYIRNVFVBS-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293555307 257380364 /nfs/dbraw/zinc/38/03/64/257380364.db2.gz FLQSRXSSCODFFR-IOMROCGXSA-N 1 3 351.494 3.103 20 0 FGADHO CC(C)(CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000097357631 222175651 /nfs/dbraw/zinc/17/56/51/222175651.db2.gz QYXBJRNGPZAUPW-FQEVSTJZSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000567980255 505588366 /nfs/dbraw/zinc/58/83/66/505588366.db2.gz VYDJMBGWZCTWIR-GOSISDBHSA-N 1 3 372.557 3.172 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000567983132 505589886 /nfs/dbraw/zinc/58/98/86/505589886.db2.gz QXBFAJIOJDZQPR-YLJYHZDGSA-N 1 3 371.550 3.323 20 0 FGADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571047271 505640997 /nfs/dbraw/zinc/64/09/97/505640997.db2.gz PGNYRDQITYSYCO-KFWWJZLASA-N 1 3 369.431 3.354 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccccc3OC3CCCC3)CC2)CC1 ZINC000574002310 505670214 /nfs/dbraw/zinc/67/02/14/505670214.db2.gz BCUHJLAYFKKQBO-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000574029521 505676934 /nfs/dbraw/zinc/67/69/34/505676934.db2.gz WXAROPDHKIYXBB-OAQYLSRUSA-N 1 3 351.494 3.032 20 0 FGADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000081248600 493852212 /nfs/dbraw/zinc/85/22/12/493852212.db2.gz AIXBBAOUMJSIIU-OAQYLSRUSA-N 1 3 357.542 3.060 20 0 FGADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722585 493863607 /nfs/dbraw/zinc/86/36/07/493863607.db2.gz UHHQWCQURGOAJN-ZDUSSCGKSA-N 1 3 369.303 3.042 20 0 FGADHO CC[NH+]1CCC(CNCc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000577237954 505692571 /nfs/dbraw/zinc/69/25/71/505692571.db2.gz OGGGNIJRYZXMTK-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759228 493985838 /nfs/dbraw/zinc/98/58/38/493985838.db2.gz DSPHHLGCQOFMIW-OAQYLSRUSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](c1cccs1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760558 493986716 /nfs/dbraw/zinc/98/67/16/493986716.db2.gz LTOJAAMELSVFAS-HNNXBMFYSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc4c(n3)CCC4)CC2)C[C@@H](C)O1 ZINC000580165089 505693093 /nfs/dbraw/zinc/69/30/93/505693093.db2.gz VMVJBIUHJKPFFD-QZTJIDSGSA-N 1 3 357.542 3.282 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280661 505699686 /nfs/dbraw/zinc/69/96/86/505699686.db2.gz CPUDEEUIBGGVGA-NEWSRXKRSA-N 1 3 369.509 3.274 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000064739202 494145754 /nfs/dbraw/zinc/14/57/54/494145754.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000064739202 494145759 /nfs/dbraw/zinc/14/57/59/494145759.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574150364 505705752 /nfs/dbraw/zinc/70/57/52/505705752.db2.gz AAZLCFLFIREVSN-HXUWFJFHSA-N 1 3 357.473 3.196 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066050074 494273159 /nfs/dbraw/zinc/27/31/59/494273159.db2.gz ISZVYRZLZIHJJW-UHFFFAOYSA-N 1 3 357.542 3.475 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066050074 494273162 /nfs/dbraw/zinc/27/31/62/494273162.db2.gz ISZVYRZLZIHJJW-UHFFFAOYSA-N 1 3 357.542 3.475 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415541 494368923 /nfs/dbraw/zinc/36/89/23/494368923.db2.gz MVIBKDMQAMWPPV-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415541 494368927 /nfs/dbraw/zinc/36/89/27/494368927.db2.gz MVIBKDMQAMWPPV-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045192662 494405149 /nfs/dbraw/zinc/40/51/49/494405149.db2.gz OTVJTWCQOHJKGN-NHCUHLMSSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045192662 494405150 /nfs/dbraw/zinc/40/51/50/494405150.db2.gz OTVJTWCQOHJKGN-NHCUHLMSSA-N 1 3 370.541 3.099 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402813 505720790 /nfs/dbraw/zinc/72/07/90/505720790.db2.gz PGSHNDXKTOLDPY-DENIHFKCSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402813 505720793 /nfs/dbraw/zinc/72/07/93/505720793.db2.gz PGSHNDXKTOLDPY-DENIHFKCSA-N 1 3 365.521 3.368 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000079221369 494421954 /nfs/dbraw/zinc/42/19/54/494421954.db2.gz AXENATINCZPQNG-PZJWPPBQSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000079221369 494421961 /nfs/dbraw/zinc/42/19/61/494421961.db2.gz AXENATINCZPQNG-PZJWPPBQSA-N 1 3 374.573 3.113 20 0 FGADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795132 494430263 /nfs/dbraw/zinc/43/02/63/494430263.db2.gz IPAVSIAYXVNTDI-SJORKVTESA-N 1 3 366.575 3.257 20 0 FGADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795132 494430267 /nfs/dbraw/zinc/43/02/67/494430267.db2.gz IPAVSIAYXVNTDI-SJORKVTESA-N 1 3 366.575 3.257 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960863 494446230 /nfs/dbraw/zinc/44/62/30/494446230.db2.gz UFGAPUVFJTUKEZ-LJQANCHMSA-N 1 3 359.558 3.178 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960863 494446234 /nfs/dbraw/zinc/44/62/34/494446234.db2.gz UFGAPUVFJTUKEZ-LJQANCHMSA-N 1 3 359.558 3.178 20 0 FGADHO CCN(C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000066987641 494452203 /nfs/dbraw/zinc/45/22/03/494452203.db2.gz HCWPLYBLDAJGQK-UHFFFAOYSA-N 1 3 368.525 3.166 20 0 FGADHO CC[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000066987641 494452205 /nfs/dbraw/zinc/45/22/05/494452205.db2.gz HCWPLYBLDAJGQK-UHFFFAOYSA-N 1 3 368.525 3.166 20 0 FGADHO CC[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000066987641 494452210 /nfs/dbraw/zinc/45/22/10/494452210.db2.gz HCWPLYBLDAJGQK-UHFFFAOYSA-N 1 3 368.525 3.166 20 0 FGADHO C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221084 494456473 /nfs/dbraw/zinc/45/64/73/494456473.db2.gz FJIMXHAWAVVQPA-IVCQMTBJSA-N 1 3 360.523 3.215 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523145 494478591 /nfs/dbraw/zinc/47/85/91/494478591.db2.gz PYJVVCBKOYFVOK-VDGAXYAQSA-N 1 3 374.525 3.266 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000090541745 494480005 /nfs/dbraw/zinc/48/00/05/494480005.db2.gz VPPQILBPVBFLST-IMFGXOCKSA-N 1 3 364.555 3.332 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586112 494484479 /nfs/dbraw/zinc/48/44/79/494484479.db2.gz MKRGTYHINPVOSF-HOTGVXAUSA-N 1 3 366.937 3.410 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586112 494484482 /nfs/dbraw/zinc/48/44/82/494484482.db2.gz MKRGTYHINPVOSF-HOTGVXAUSA-N 1 3 366.937 3.410 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586112 494484485 /nfs/dbraw/zinc/48/44/85/494484485.db2.gz MKRGTYHINPVOSF-HOTGVXAUSA-N 1 3 366.937 3.410 20 0 FGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000074298044 494513386 /nfs/dbraw/zinc/51/33/86/494513386.db2.gz ULHHLPFXYAIFHH-OAQYLSRUSA-N 1 3 369.553 3.089 20 0 FGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000074298044 494513390 /nfs/dbraw/zinc/51/33/90/494513390.db2.gz ULHHLPFXYAIFHH-OAQYLSRUSA-N 1 3 369.553 3.089 20 0 FGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000074320878 494517959 /nfs/dbraw/zinc/51/79/59/494517959.db2.gz ACTJLXZHSSYRPA-FQEVSTJZSA-N 1 3 355.526 3.086 20 0 FGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000074320878 494517964 /nfs/dbraw/zinc/51/79/64/494517964.db2.gz ACTJLXZHSSYRPA-FQEVSTJZSA-N 1 3 355.526 3.086 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)CC1 ZINC000568578835 505726361 /nfs/dbraw/zinc/72/63/61/505726361.db2.gz BREMINZJGDDNSH-UHFFFAOYSA-N 1 3 357.542 3.267 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000580300394 505727638 /nfs/dbraw/zinc/72/76/38/505727638.db2.gz GAWLFYNIRAWLAZ-UNMCSNQZSA-N 1 3 363.505 3.102 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000080056155 494577924 /nfs/dbraw/zinc/57/79/24/494577924.db2.gz LNNJMSQVJDOQIO-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1nc2ccccc2n1C ZINC000091348793 494585706 /nfs/dbraw/zinc/58/57/06/494585706.db2.gz VFWOALDLYWYWCX-GOSISDBHSA-N 1 3 369.557 3.174 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080115002 494602370 /nfs/dbraw/zinc/60/23/70/494602370.db2.gz YTUYTPDWXMVUKJ-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789940 494624039 /nfs/dbraw/zinc/62/40/39/494624039.db2.gz ZYAFQMTZGQVVAO-OAQYLSRUSA-N 1 3 372.557 3.156 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258784 505733170 /nfs/dbraw/zinc/73/31/70/505733170.db2.gz NSQATZRXBWDBBU-QAPCUYQASA-N 1 3 370.440 3.015 20 0 FGADHO CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992080 494669411 /nfs/dbraw/zinc/66/94/11/494669411.db2.gz MLEFURVPYZZXHG-SFTDATJTSA-N 1 3 357.542 3.245 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000108410006 494700772 /nfs/dbraw/zinc/70/07/72/494700772.db2.gz WXBUPZCFHMWSQS-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000108410006 494700777 /nfs/dbraw/zinc/70/07/77/494700777.db2.gz WXBUPZCFHMWSQS-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccccc3)c2)C1 ZINC000108420713 494702730 /nfs/dbraw/zinc/70/27/30/494702730.db2.gz YIKOSLRTRRDWAN-NCZOVAKNSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccccc3)c2)C1 ZINC000108420713 494702741 /nfs/dbraw/zinc/70/27/41/494702741.db2.gz YIKOSLRTRRDWAN-NCZOVAKNSA-N 1 3 363.505 3.187 20 0 FGADHO CN1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000057286052 494703943 /nfs/dbraw/zinc/70/39/43/494703943.db2.gz QOWSZYBLZQPUGM-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CN1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000057286052 494703950 /nfs/dbraw/zinc/70/39/50/494703950.db2.gz QOWSZYBLZQPUGM-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713638 /nfs/dbraw/zinc/71/36/38/494713638.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 1 3 369.553 3.475 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713643 /nfs/dbraw/zinc/71/36/43/494713643.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 1 3 369.553 3.475 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561916 494740804 /nfs/dbraw/zinc/74/08/04/494740804.db2.gz MPQQLANEMOYYSJ-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561916 494740810 /nfs/dbraw/zinc/74/08/10/494740810.db2.gz MPQQLANEMOYYSJ-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO Brc1cc2c(c(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492673 505738977 /nfs/dbraw/zinc/73/89/77/505738977.db2.gz NFLOAZOTOSCNRN-CABCVRRESA-N 1 3 365.315 3.206 20 0 FGADHO Cc1nn(C)c2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc12 ZINC000121597977 494816045 /nfs/dbraw/zinc/81/60/45/494816045.db2.gz DVDFPNPPGBIUEO-UHFFFAOYSA-N 1 3 355.530 3.365 20 0 FGADHO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000126724491 494827497 /nfs/dbraw/zinc/82/74/97/494827497.db2.gz UTUNYAZUGVJDMH-LJQANCHMSA-N 1 3 370.566 3.366 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C(C)C)C(C)C)CC2)CC1 ZINC000568648232 505745040 /nfs/dbraw/zinc/74/50/40/505745040.db2.gz ZMZFDRIZIKHJRW-UHFFFAOYSA-N 1 3 351.579 3.227 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)CC(C)C ZINC000109482043 494881308 /nfs/dbraw/zinc/88/13/08/494881308.db2.gz VKMZBNZKAGALAJ-GOSISDBHSA-N 1 3 354.583 3.259 20 0 FGADHO CC(C)[C@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950789 494947362 /nfs/dbraw/zinc/94/73/62/494947362.db2.gz OPPXJNJDTIPCMB-ZBFHGGJFSA-N 1 3 352.910 3.162 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000122555656 494993345 /nfs/dbraw/zinc/99/33/45/494993345.db2.gz ROPXEZXKOZCSRZ-IBGZPJMESA-N 1 3 365.949 3.478 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110614035 494994071 /nfs/dbraw/zinc/99/40/71/494994071.db2.gz NSHFHILSUMXJRC-SFHVURJKSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110690526 495000801 /nfs/dbraw/zinc/00/08/01/495000801.db2.gz ORUUHUSPKVFIFQ-SIKLNZKXSA-N 1 3 369.553 3.026 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111444198 495075580 /nfs/dbraw/zinc/07/55/80/495075580.db2.gz ZSHFNFFYSVSGGW-UHFFFAOYSA-N 1 3 360.546 3.204 20 0 FGADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133934094 495083252 /nfs/dbraw/zinc/08/32/52/495083252.db2.gz OZOFJFGNNHEYPR-SFHVURJKSA-N 1 3 369.557 3.148 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000134074331 495102600 /nfs/dbraw/zinc/10/26/00/495102600.db2.gz XPCPKIPAISQAHT-UHFFFAOYSA-N 1 3 352.526 3.078 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604945 505763000 /nfs/dbraw/zinc/76/30/00/505763000.db2.gz KQWRUEBZQGVZKS-WOJBJXKFSA-N 1 3 354.498 3.013 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666493 495132673 /nfs/dbraw/zinc/13/26/73/495132673.db2.gz CATQTWCMKDDWDM-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341716 495146208 /nfs/dbraw/zinc/14/62/08/495146208.db2.gz QSIMKBUJHIOTBS-XLIONFOSSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305523 495216668 /nfs/dbraw/zinc/21/66/68/495216668.db2.gz SZNGRIMQVAHDES-PMACEKPBSA-N 1 3 364.578 3.158 20 0 FGADHO CC(C)[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103312131 495218440 /nfs/dbraw/zinc/21/84/40/495218440.db2.gz YRXPOYDKEQPVIL-WOJBJXKFSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1cccc(OCCN(C)C)c1 ZINC000577655684 505771231 /nfs/dbraw/zinc/77/12/31/505771231.db2.gz VFOZCXNVCMVSFT-KXBFYZLASA-N 1 3 358.457 3.420 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000129679400 495279689 /nfs/dbraw/zinc/27/96/89/495279689.db2.gz SBXPZXYACVYKSA-PZJWPPBQSA-N 1 3 372.557 3.053 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000135427231 495290838 /nfs/dbraw/zinc/29/08/38/495290838.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 1 3 374.573 3.450 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000135427231 495290840 /nfs/dbraw/zinc/29/08/40/495290840.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 1 3 374.573 3.450 20 0 FGADHO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000120133671 495313448 /nfs/dbraw/zinc/31/34/48/495313448.db2.gz SXVJSPNMBWWUQL-WMZHIEFXSA-N 1 3 365.521 3.276 20 0 FGADHO CCCc1cc(N2CC[C@H](N3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124869836 495357521 /nfs/dbraw/zinc/35/75/21/495357521.db2.gz SMNBFDAQVINVIL-IBGZPJMESA-N 1 3 352.526 3.404 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000114455637 495377093 /nfs/dbraw/zinc/37/70/93/495377093.db2.gz MFSBCUNLMFSYQI-QFIPXVFZSA-N 1 3 371.569 3.245 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000136861514 495405770 /nfs/dbraw/zinc/40/57/70/495405770.db2.gz PQQMNFLUSDJBKV-IBGZPJMESA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000136861514 495405773 /nfs/dbraw/zinc/40/57/73/495405773.db2.gz PQQMNFLUSDJBKV-IBGZPJMESA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000137465271 495441870 /nfs/dbraw/zinc/44/18/70/495441870.db2.gz RIJVMZWNTDOBGM-DYESRHJHSA-N 1 3 351.494 3.141 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000125434636 495444212 /nfs/dbraw/zinc/44/42/12/495444212.db2.gz VYUGKEDUVREQTD-DQVLVPHSSA-N 1 3 372.557 3.243 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131206666 495506594 /nfs/dbraw/zinc/50/65/94/495506594.db2.gz ZSMJKYRLBBQAAM-INIZCTEOSA-N 1 3 367.559 3.219 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)cc1F ZINC000125874506 495511725 /nfs/dbraw/zinc/51/17/25/495511725.db2.gz KUWYTSIRESSKOC-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000154246539 495556838 /nfs/dbraw/zinc/55/68/38/495556838.db2.gz GXMBMVGLKFOWHR-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCCC1 ZINC000170683002 495563922 /nfs/dbraw/zinc/56/39/22/495563922.db2.gz CGKDHXCSNQOPLD-AWEZNQCLSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH+]1CCCC1 ZINC000170683002 495563927 /nfs/dbraw/zinc/56/39/27/495563927.db2.gz CGKDHXCSNQOPLD-AWEZNQCLSA-N 1 3 368.319 3.242 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000179449101 495595103 /nfs/dbraw/zinc/59/51/03/495595103.db2.gz GRWLJCAWFTUULA-UHFFFAOYSA-N 1 3 371.569 3.453 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000154510261 495638245 /nfs/dbraw/zinc/63/82/45/495638245.db2.gz QBWKWINOERIHPC-HXUWFJFHSA-N 1 3 357.542 3.440 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602551 505794354 /nfs/dbraw/zinc/79/43/54/505794354.db2.gz JYPNHYJLZHBADH-UEVCKROQSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602551 505794357 /nfs/dbraw/zinc/79/43/57/505794357.db2.gz JYPNHYJLZHBADH-UEVCKROQSA-N 1 3 352.522 3.399 20 0 FGADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666087 495655265 /nfs/dbraw/zinc/65/52/65/495655265.db2.gz GPDCODMUXAYVQU-KHYOSLBOSA-N 1 3 356.457 3.131 20 0 FGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869571 505797104 /nfs/dbraw/zinc/79/71/04/505797104.db2.gz UITIKFALLACQSP-DJIMGWMZSA-N 1 3 369.431 3.056 20 0 FGADHO COCC1=CCN(Cc2cccc(C[N@H+]3CC=C(COC)CC3)c2)CC1 ZINC000185827164 495740824 /nfs/dbraw/zinc/74/08/24/495740824.db2.gz ONIIQEGFTYEAAQ-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO COCC1=CCN(Cc2cccc(C[N@@H+]3CC=C(COC)CC3)c2)CC1 ZINC000185827164 495740828 /nfs/dbraw/zinc/74/08/28/495740828.db2.gz ONIIQEGFTYEAAQ-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195030 495768362 /nfs/dbraw/zinc/76/83/62/495768362.db2.gz LERMQLYTIREVEL-UZLBHIALSA-N 1 3 352.494 3.199 20 0 FGADHO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962207 495777248 /nfs/dbraw/zinc/77/72/48/495777248.db2.gz VBBPVPWFSVSGAE-RBUKOAKNSA-N 1 3 374.573 3.096 20 0 FGADHO CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000154971672 495788812 /nfs/dbraw/zinc/78/88/12/495788812.db2.gz VUHSUMJQWWJYQH-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325735 495806014 /nfs/dbraw/zinc/80/60/14/495806014.db2.gz JALXNBKARLUSJU-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325735 495806019 /nfs/dbraw/zinc/80/60/19/495806019.db2.gz JALXNBKARLUSJU-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325735 495806024 /nfs/dbraw/zinc/80/60/24/495806024.db2.gz JALXNBKARLUSJU-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO OC1CC[NH+](CCCN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151381436 495822126 /nfs/dbraw/zinc/82/21/26/495822126.db2.gz WNGURDVHNWYJKV-KRWDZBQOSA-N 1 3 358.404 3.009 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000186036977 495830952 /nfs/dbraw/zinc/83/09/52/495830952.db2.gz QLFSTTFGSHEAQV-JOCHJYFZSA-N 1 3 357.542 3.073 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139517 495850754 /nfs/dbraw/zinc/85/07/54/495850754.db2.gz JBKLOUHWICZRSH-VABKMULXSA-N 1 3 369.553 3.135 20 0 FGADHO CC(C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000171435876 495872434 /nfs/dbraw/zinc/87/24/34/495872434.db2.gz YEXKXENMLQEAAZ-IEBWSBKVSA-N 1 3 364.578 3.059 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000183349829 495942418 /nfs/dbraw/zinc/94/24/18/495942418.db2.gz WIFJYADDVPDRMP-INIZCTEOSA-N 1 3 374.447 3.200 20 0 FGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171656181 495975559 /nfs/dbraw/zinc/97/55/59/495975559.db2.gz GPNJVBVXVKQAFS-KRWDZBQOSA-N 1 3 359.558 3.435 20 0 FGADHO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(OCCN(C)C)c1 ZINC000186475619 496011912 /nfs/dbraw/zinc/01/19/12/496011912.db2.gz CBNJQKKKACATKN-QGZVFWFLSA-N 1 3 366.509 3.407 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000174812178 496117450 /nfs/dbraw/zinc/11/74/50/496117450.db2.gz VVVUUMRLPYHIKY-KRWDZBQOSA-N 1 3 373.501 3.016 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000174812178 496117453 /nfs/dbraw/zinc/11/74/53/496117453.db2.gz VVVUUMRLPYHIKY-KRWDZBQOSA-N 1 3 373.501 3.016 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000161626303 496210022 /nfs/dbraw/zinc/21/00/22/496210022.db2.gz CCPZKLXVSZECAQ-HXUWFJFHSA-N 1 3 364.578 3.303 20 0 FGADHO Cc1nc(COc2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2)no1 ZINC000152687649 496226615 /nfs/dbraw/zinc/22/66/15/496226615.db2.gz KOPKNZNMJDXWBL-UHFFFAOYSA-N 1 3 370.497 3.265 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cs1 ZINC000161780609 496236933 /nfs/dbraw/zinc/23/69/33/496236933.db2.gz OCICMPDKYJMKIE-FRQCXROJSA-N 1 3 364.603 3.236 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075359 496237573 /nfs/dbraw/zinc/23/75/73/496237573.db2.gz IDZKZBIBZAUNMV-ROUUACIJSA-N 1 3 366.575 3.257 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000156471350 496254282 /nfs/dbraw/zinc/25/42/82/496254282.db2.gz NZXOMAHSDTWTTP-HXUWFJFHSA-N 1 3 352.526 3.330 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778961 496254426 /nfs/dbraw/zinc/25/44/26/496254426.db2.gz UHVXGGCCMTVVBD-VQIMIIECSA-N 1 3 352.494 3.451 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162942683 496438027 /nfs/dbraw/zinc/43/80/27/496438027.db2.gz HWDZVMUJCQJPKP-KRWDZBQOSA-N 1 3 362.481 3.109 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640600 496478094 /nfs/dbraw/zinc/47/80/94/496478094.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640600 496478099 /nfs/dbraw/zinc/47/80/99/496478099.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 1 3 360.546 3.021 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214929 496482194 /nfs/dbraw/zinc/48/21/94/496482194.db2.gz IYWOJRSXHVGZOV-RDJZCZTQSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214929 496482197 /nfs/dbraw/zinc/48/21/97/496482197.db2.gz IYWOJRSXHVGZOV-RDJZCZTQSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214929 496482200 /nfs/dbraw/zinc/48/22/00/496482200.db2.gz IYWOJRSXHVGZOV-RDJZCZTQSA-N 1 3 351.922 3.008 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707530 496511184 /nfs/dbraw/zinc/51/11/84/496511184.db2.gz UBRUVTDBGYROOU-FCHUYYIVSA-N 1 3 372.553 3.471 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000569099879 505852806 /nfs/dbraw/zinc/85/28/06/505852806.db2.gz RBOAYUYFXNIGHQ-FQEVSTJZSA-N 1 3 351.494 3.174 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665257 496525507 /nfs/dbraw/zinc/52/55/07/496525507.db2.gz DMBZTJBPBBBQOQ-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665257 496525513 /nfs/dbraw/zinc/52/55/13/496525513.db2.gz DMBZTJBPBBBQOQ-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000163934530 496571612 /nfs/dbraw/zinc/57/16/12/496571612.db2.gz YGXKEWVVXSVQCZ-LJQANCHMSA-N 1 3 370.516 3.469 20 0 FGADHO C[C@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000187973887 496636145 /nfs/dbraw/zinc/63/61/45/496636145.db2.gz QEUCSQNGCMDMTA-QGZVFWFLSA-N 1 3 366.594 3.307 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164994962 496643915 /nfs/dbraw/zinc/64/39/15/496643915.db2.gz AIEHZAPXDYQZBN-UZLBHIALSA-N 1 3 355.482 3.030 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000166242512 496681298 /nfs/dbraw/zinc/68/12/98/496681298.db2.gz QMOFLOCUYISKRZ-KRWDZBQOSA-N 1 3 371.447 3.204 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687611 /nfs/dbraw/zinc/68/76/11/496687611.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687613 /nfs/dbraw/zinc/68/76/13/496687613.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 1 3 374.548 3.245 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689133 /nfs/dbraw/zinc/68/91/33/496689133.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 1 3 367.459 3.496 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689137 /nfs/dbraw/zinc/68/91/37/496689137.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 1 3 367.459 3.496 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCCCC2 ZINC000182261766 496722718 /nfs/dbraw/zinc/72/27/18/496722718.db2.gz ZCAZHTKIXFDSLO-FDFHNCONSA-N 1 3 372.553 3.471 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864297 /nfs/dbraw/zinc/86/42/97/505864297.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864300 /nfs/dbraw/zinc/86/43/00/505864300.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000263924890 496764911 /nfs/dbraw/zinc/76/49/11/496764911.db2.gz VDGOXHZVSNAOAN-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073736 496771449 /nfs/dbraw/zinc/77/14/49/496771449.db2.gz OKLGWEJNJRVBAI-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073736 496771456 /nfs/dbraw/zinc/77/14/56/496771456.db2.gz OKLGWEJNJRVBAI-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073736 496771461 /nfs/dbraw/zinc/77/14/61/496771461.db2.gz OKLGWEJNJRVBAI-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000268872335 496810305 /nfs/dbraw/zinc/81/03/05/496810305.db2.gz KSNYIKBDHIEFSL-IRLDBZIGSA-N 1 3 371.569 3.132 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000247240722 496813332 /nfs/dbraw/zinc/81/33/32/496813332.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000247240722 496813338 /nfs/dbraw/zinc/81/33/38/496813338.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000247355165 496842938 /nfs/dbraw/zinc/84/29/38/496842938.db2.gz PRQVPWASUYXNPC-PZJWPPBQSA-N 1 3 372.557 3.115 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000247355165 496842943 /nfs/dbraw/zinc/84/29/43/496842943.db2.gz PRQVPWASUYXNPC-PZJWPPBQSA-N 1 3 372.557 3.115 20 0 FGADHO CSc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341603 496895010 /nfs/dbraw/zinc/89/50/10/496895010.db2.gz MWTIEANKMRLZSB-UHFFFAOYSA-N 1 3 362.543 3.089 20 0 FGADHO CN(c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1)C1CCN(C)CC1 ZINC000195368413 496903869 /nfs/dbraw/zinc/90/38/69/496903869.db2.gz UQXQQFYCZRDIQZ-UHFFFAOYSA-N 1 3 370.541 3.030 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000269258908 496905653 /nfs/dbraw/zinc/90/56/53/496905653.db2.gz LKYRCCYUMRGBNK-UBBRYJJRSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000269258908 496905658 /nfs/dbraw/zinc/90/56/58/496905658.db2.gz LKYRCCYUMRGBNK-UBBRYJJRSA-N 1 3 365.521 3.349 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000247971871 496935898 /nfs/dbraw/zinc/93/58/98/496935898.db2.gz HLKXAPGJDJLYKI-JYJNAYRXSA-N 1 3 353.457 3.187 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000247971871 496935904 /nfs/dbraw/zinc/93/59/04/496935904.db2.gz HLKXAPGJDJLYKI-JYJNAYRXSA-N 1 3 353.457 3.187 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C1CC1 ZINC000247977932 496937150 /nfs/dbraw/zinc/93/71/50/496937150.db2.gz LQUVSDMJUJFQJH-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C1CC1 ZINC000247977932 496937156 /nfs/dbraw/zinc/93/71/56/496937156.db2.gz LQUVSDMJUJFQJH-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000192122567 497001717 /nfs/dbraw/zinc/00/17/17/497001717.db2.gz IYVFNRPZEKXMST-MOPGFXCFSA-N 1 3 353.510 3.178 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456096 497017778 /nfs/dbraw/zinc/01/77/78/497017778.db2.gz RYJLHEYKAXBVEG-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248456096 497017786 /nfs/dbraw/zinc/01/77/86/497017786.db2.gz RYJLHEYKAXBVEG-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)CC1 ZINC000270226078 497081094 /nfs/dbraw/zinc/08/10/94/497081094.db2.gz NKVBFIJTDGNEAB-QFIPXVFZSA-N 1 3 369.553 3.476 20 0 FGADHO Cc1ccc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)ccc2n1 ZINC000189386645 497102190 /nfs/dbraw/zinc/10/21/90/497102190.db2.gz MQUSRRXLNWGBDA-FCHUYYIVSA-N 1 3 353.510 3.401 20 0 FGADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236776972 497144306 /nfs/dbraw/zinc/14/43/06/497144306.db2.gz NEGCHVAPVGXFPD-UHFFFAOYSA-N 1 3 368.319 3.242 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)c1 ZINC000236922991 497168336 /nfs/dbraw/zinc/16/83/36/497168336.db2.gz UIADQSKOHIBMFS-UWJYYQICSA-N 1 3 353.510 3.481 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009709 497180321 /nfs/dbraw/zinc/18/03/21/497180321.db2.gz ZEMHVADXUBNORF-HKUYNNGSSA-N 1 3 372.557 3.101 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249277242 497185887 /nfs/dbraw/zinc/18/58/87/497185887.db2.gz DPWAURXDFKGFAI-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249277242 497185892 /nfs/dbraw/zinc/18/58/92/497185892.db2.gz DPWAURXDFKGFAI-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO C[N@H+](Cc1ccccc1NC(=O)CNC[C@H]1CCCO1)C1CCCCC1 ZINC000237166937 497200539 /nfs/dbraw/zinc/20/05/39/497200539.db2.gz UJBUJQZYGWFGLF-LJQANCHMSA-N 1 3 359.514 3.158 20 0 FGADHO C[N@@H+](Cc1ccccc1NC(=O)CNC[C@H]1CCCO1)C1CCCCC1 ZINC000237166937 497200545 /nfs/dbraw/zinc/20/05/45/497200545.db2.gz UJBUJQZYGWFGLF-LJQANCHMSA-N 1 3 359.514 3.158 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000192786346 497213774 /nfs/dbraw/zinc/21/37/74/497213774.db2.gz BZGFBDPDEUAGCI-MRXNPFEDSA-N 1 3 355.473 3.355 20 0 FGADHO COc1ccc([C@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCCN2C)cc1 ZINC000237279555 497214909 /nfs/dbraw/zinc/21/49/09/497214909.db2.gz OEQJIHKOMZSZLC-RXVVDRJESA-N 1 3 361.530 3.104 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237408275 497232151 /nfs/dbraw/zinc/23/21/51/497232151.db2.gz YTVALSUGNPLEQN-DYESRHJHSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@H](CC(=O)NCc1ccccc1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000237667502 497272779 /nfs/dbraw/zinc/27/27/79/497272779.db2.gz OWAMJDDEZKZJQK-GOSISDBHSA-N 1 3 357.542 3.315 20 0 FGADHO c1cn2c(n1)CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000279010219 497302442 /nfs/dbraw/zinc/30/24/42/497302442.db2.gz SUTQMPGNAUMPSO-NCYKPQTJSA-N 1 3 350.510 3.231 20 0 FGADHO N[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237860689 497303582 /nfs/dbraw/zinc/30/35/82/497303582.db2.gz OTIVOPODTBMXLX-OAQYLSRUSA-N 1 3 351.494 3.379 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237925566 497314860 /nfs/dbraw/zinc/31/48/60/497314860.db2.gz PTWZJMKVEQKGBD-RTWAWAEBSA-N 1 3 351.494 3.420 20 0 FGADHO c1cn(-c2ccccc2)nc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147880 505901365 /nfs/dbraw/zinc/90/13/65/505901365.db2.gz YAPJDRIXCBMUMF-GGAORHGYSA-N 1 3 374.488 3.260 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529109 497374469 /nfs/dbraw/zinc/37/44/69/497374469.db2.gz QRQLAYFWMOVUTL-JQFCIGGWSA-N 1 3 354.441 3.316 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275738343 497417974 /nfs/dbraw/zinc/41/79/74/497417974.db2.gz YIWVOGYOSIEMFO-HXUWFJFHSA-N 1 3 368.525 3.085 20 0 FGADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261607230 497418428 /nfs/dbraw/zinc/41/84/28/497418428.db2.gz ROLSWYLQZKYVPU-JBACZVJFSA-N 1 3 355.526 3.030 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261655923 497428097 /nfs/dbraw/zinc/42/80/97/497428097.db2.gz DTKHKKFMRVNBMV-UHFFFAOYSA-N 1 3 367.468 3.322 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc(CN2CCCC2)c1 ZINC000261798209 497453342 /nfs/dbraw/zinc/45/33/42/497453342.db2.gz VKEGKZGPMMQVDO-UHFFFAOYSA-N 1 3 353.441 3.320 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1)C1CC1 ZINC000262027302 497494758 /nfs/dbraw/zinc/49/47/58/497494758.db2.gz BBOPEWKYVZCROO-JOCHJYFZSA-N 1 3 363.505 3.288 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1)C1CC1 ZINC000262027302 497494762 /nfs/dbraw/zinc/49/47/62/497494762.db2.gz BBOPEWKYVZCROO-JOCHJYFZSA-N 1 3 363.505 3.288 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cc2)C1 ZINC000262169437 497518954 /nfs/dbraw/zinc/51/89/54/497518954.db2.gz QGILKMIGPBSXKH-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cc2)C1 ZINC000262169437 497518960 /nfs/dbraw/zinc/51/89/60/497518960.db2.gz QGILKMIGPBSXKH-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@H]1c1cccs1 ZINC000262447537 497557512 /nfs/dbraw/zinc/55/75/12/497557512.db2.gz VMJBUKNRWFTSIM-NDUPCHFUSA-N 1 3 361.555 3.027 20 0 FGADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125338 505915960 /nfs/dbraw/zinc/91/59/60/505915960.db2.gz OURWQDSWHRJYPV-NRJQMVOHSA-N 1 3 368.477 3.308 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000262654483 497591795 /nfs/dbraw/zinc/59/17/95/497591795.db2.gz BYGPTSFLFZTTDP-SOLBZPMBSA-N 1 3 351.560 3.273 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000262654486 497592025 /nfs/dbraw/zinc/59/20/25/497592025.db2.gz BYGPTSFLFZTTDP-XYJFISCASA-N 1 3 351.560 3.273 20 0 FGADHO COc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)N2CCCC2)cc1 ZINC000262663185 497594573 /nfs/dbraw/zinc/59/45/73/497594573.db2.gz MIWFZJULMNCWDK-HXUWFJFHSA-N 1 3 373.541 3.248 20 0 FGADHO CCc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000569370359 505918315 /nfs/dbraw/zinc/91/83/15/505918315.db2.gz XUTYQKURHPUZOU-UHFFFAOYSA-N 1 3 365.521 3.236 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246193210 497655904 /nfs/dbraw/zinc/65/59/04/497655904.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 1 3 360.546 3.008 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246193210 497655907 /nfs/dbraw/zinc/65/59/07/497655907.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 1 3 360.546 3.008 20 0 FGADHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410324 497656825 /nfs/dbraw/zinc/65/68/25/497656825.db2.gz OBMQSMAMANCZSB-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410324 497656831 /nfs/dbraw/zinc/65/68/31/497656831.db2.gz OBMQSMAMANCZSB-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000569388596 505922613 /nfs/dbraw/zinc/92/26/13/505922613.db2.gz XWQPBSUPIRUQSJ-NRFANRHFSA-N 1 3 359.558 3.206 20 0 FGADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000272667979 497696863 /nfs/dbraw/zinc/69/68/63/497696863.db2.gz JNYLBXPIINAFQZ-HSALFYBXSA-N 1 3 354.498 3.201 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246347972 497703828 /nfs/dbraw/zinc/70/38/28/497703828.db2.gz JOSYUAHWYBHFJM-AABGKKOBSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246347972 497703834 /nfs/dbraw/zinc/70/38/34/497703834.db2.gz JOSYUAHWYBHFJM-AABGKKOBSA-N 1 3 364.578 3.157 20 0 FGADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272730602 497715143 /nfs/dbraw/zinc/71/51/43/497715143.db2.gz ZRHSHRQBIXVHEK-DSKNIHGZSA-N 1 3 369.553 3.324 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246398531 497720852 /nfs/dbraw/zinc/72/08/52/497720852.db2.gz JXHLZIWXHWIHDC-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246398531 497720858 /nfs/dbraw/zinc/72/08/58/497720858.db2.gz JXHLZIWXHWIHDC-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472715 497746269 /nfs/dbraw/zinc/74/62/69/497746269.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472715 497746272 /nfs/dbraw/zinc/74/62/72/497746272.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 1 3 372.557 3.069 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1Cl ZINC000263296162 497752114 /nfs/dbraw/zinc/75/21/14/497752114.db2.gz XZJPCNMRTNBIGH-XYPHTWIQSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000246639877 497793448 /nfs/dbraw/zinc/79/34/48/497793448.db2.gz ZIVGHUBOVUOKPU-TWHPPBISSA-N 1 3 357.542 3.417 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000246639877 497793449 /nfs/dbraw/zinc/79/34/49/497793449.db2.gz ZIVGHUBOVUOKPU-TWHPPBISSA-N 1 3 357.542 3.417 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246867197 497817566 /nfs/dbraw/zinc/81/75/66/497817566.db2.gz HCIRGHFFAGRKNX-UGKGYDQZSA-N 1 3 371.569 3.130 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246867197 497817567 /nfs/dbraw/zinc/81/75/67/497817567.db2.gz HCIRGHFFAGRKNX-UGKGYDQZSA-N 1 3 371.569 3.130 20 0 FGADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000581239977 505941076 /nfs/dbraw/zinc/94/10/76/505941076.db2.gz ULRFSUXCUSPKMZ-SFHVURJKSA-N 1 3 358.873 3.368 20 0 FGADHO C[C@H](NCCc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364357380 497917562 /nfs/dbraw/zinc/91/75/62/497917562.db2.gz RMQPRXLNLIHJDV-UWJYYQICSA-N 1 3 350.510 3.397 20 0 FGADHO C[C@H](NCCc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357380 497917570 /nfs/dbraw/zinc/91/75/70/497917570.db2.gz RMQPRXLNLIHJDV-UWJYYQICSA-N 1 3 350.510 3.397 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263464 497944617 /nfs/dbraw/zinc/94/46/17/497944617.db2.gz TVBGEZBBZRMUJU-YADHBBJMSA-N 1 3 369.553 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263464 497944628 /nfs/dbraw/zinc/94/46/28/497944628.db2.gz TVBGEZBBZRMUJU-YADHBBJMSA-N 1 3 369.553 3.231 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H]3C[C@@H](C)n4ccnc43)CC2)c1 ZINC000296186268 497948681 /nfs/dbraw/zinc/94/86/81/497948681.db2.gz YIAFMAOJOXFVRB-TZIWHRDSSA-N 1 3 367.541 3.389 20 0 FGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292353544 497983044 /nfs/dbraw/zinc/98/30/44/497983044.db2.gz YIBFZYHXXSHLTH-QGZVFWFLSA-N 1 3 369.509 3.180 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218667 498025736 /nfs/dbraw/zinc/02/57/36/498025736.db2.gz XKUQPDYAFXFGMU-MJGOQNOKSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218667 498025728 /nfs/dbraw/zinc/02/57/28/498025728.db2.gz XKUQPDYAFXFGMU-MJGOQNOKSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000285218667 498025741 /nfs/dbraw/zinc/02/57/41/498025741.db2.gz XKUQPDYAFXFGMU-MJGOQNOKSA-N 1 3 355.526 3.208 20 0 FGADHO OC1CC[NH+](Cc2ccc(CN[C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281122820 498027563 /nfs/dbraw/zinc/02/75/63/498027563.db2.gz DKAFKGIGBIWTGP-QFIPXVFZSA-N 1 3 369.484 3.418 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000289181676 498048875 /nfs/dbraw/zinc/04/88/75/498048875.db2.gz AORDJGLUUJUNCX-UHFFFAOYSA-N 1 3 353.510 3.406 20 0 FGADHO C([C@H]1CCCOC1)N1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983712 /nfs/dbraw/zinc/98/37/12/505983712.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C([C@H]1CCCOC1)N1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983714 /nfs/dbraw/zinc/98/37/14/505983714.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C([C@H]1CCCOC1)[N@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983716 /nfs/dbraw/zinc/98/37/16/505983716.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C([C@H]1CCCOC1)[N@@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983719 /nfs/dbraw/zinc/98/37/19/505983719.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633187 505985430 /nfs/dbraw/zinc/98/54/30/505985430.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000578633187 505985433 /nfs/dbraw/zinc/98/54/33/505985433.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175485 /nfs/dbraw/zinc/17/54/85/498175485.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 1 3 373.504 3.462 20 0 FGADHO CN1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175488 /nfs/dbraw/zinc/17/54/88/498175488.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 1 3 373.504 3.462 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517031 498178213 /nfs/dbraw/zinc/17/82/13/498178213.db2.gz HOBXHGJCUMRCGA-SFTDATJTSA-N 1 3 355.457 3.028 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517031 498178219 /nfs/dbraw/zinc/17/82/19/498178219.db2.gz HOBXHGJCUMRCGA-SFTDATJTSA-N 1 3 355.457 3.028 20 0 FGADHO CN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701031 505996968 /nfs/dbraw/zinc/99/69/68/505996968.db2.gz QJBPXSUOFMEZEE-YADHBBJMSA-N 1 3 363.505 3.458 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907044 498246936 /nfs/dbraw/zinc/24/69/36/498246936.db2.gz PFNQDVUNKDTFGO-YTQUADARSA-N 1 3 363.933 3.470 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990246 498261027 /nfs/dbraw/zinc/26/10/27/498261027.db2.gz GZFYWWXVFCHEGJ-YQQAZPJKSA-N 1 3 357.498 3.321 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638112 498291665 /nfs/dbraw/zinc/29/16/65/498291665.db2.gz NHGWLNIUHQWSKL-FKBYEOEOSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638112 498291676 /nfs/dbraw/zinc/29/16/76/498291676.db2.gz NHGWLNIUHQWSKL-FKBYEOEOSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638112 498291682 /nfs/dbraw/zinc/29/16/82/498291682.db2.gz NHGWLNIUHQWSKL-FKBYEOEOSA-N 1 3 362.521 3.397 20 0 FGADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(-c2cccnc2)c1 ZINC000289804413 498300447 /nfs/dbraw/zinc/30/04/47/498300447.db2.gz NACGCZGNJZXOJF-UHFFFAOYSA-N 1 3 352.526 3.206 20 0 FGADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(-c2cccnc2)c1 ZINC000289804413 498300452 /nfs/dbraw/zinc/30/04/52/498300452.db2.gz NACGCZGNJZXOJF-UHFFFAOYSA-N 1 3 352.526 3.206 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578759144 506014586 /nfs/dbraw/zinc/01/45/86/506014586.db2.gz RPGYYXMDQCTZTP-IRLDBZIGSA-N 1 3 360.542 3.152 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000361723457 498422415 /nfs/dbraw/zinc/42/24/15/498422415.db2.gz QCPZNHJCUUUMAA-HNAYVOBHSA-N 1 3 357.523 3.165 20 0 FGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000293744182 498475206 /nfs/dbraw/zinc/47/52/06/498475206.db2.gz XMOLWAMKQDVVKI-KRWDZBQOSA-N 1 3 354.494 3.070 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1SC ZINC000282426998 498506336 /nfs/dbraw/zinc/50/63/36/498506336.db2.gz SWWILQVZILXVQO-OAHLLOKOSA-N 1 3 351.560 3.094 20 0 FGADHO CCOc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1O ZINC000297691341 498538306 /nfs/dbraw/zinc/53/83/06/498538306.db2.gz PWOKZUAEYOGALZ-FQEVSTJZSA-N 1 3 370.493 3.037 20 0 FGADHO CCOc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1O ZINC000297691341 498538309 /nfs/dbraw/zinc/53/83/09/498538309.db2.gz PWOKZUAEYOGALZ-FQEVSTJZSA-N 1 3 370.493 3.037 20 0 FGADHO Cc1cc(N2CCC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587640 498545594 /nfs/dbraw/zinc/54/55/94/498545594.db2.gz QJCYJAODWRCACM-LJQANCHMSA-N 1 3 359.562 3.084 20 0 FGADHO Cc1cc(N2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n(C)n1 ZINC000365587640 498545601 /nfs/dbraw/zinc/54/56/01/498545601.db2.gz QJCYJAODWRCACM-LJQANCHMSA-N 1 3 359.562 3.084 20 0 FGADHO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298008984 498636799 /nfs/dbraw/zinc/63/67/99/498636799.db2.gz CABXHCZXMUDFIA-MRXNPFEDSA-N 1 3 373.522 3.195 20 0 FGADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298046135 498648765 /nfs/dbraw/zinc/64/87/65/498648765.db2.gz IBFPQUSDUUMSQR-LPHOPBHVSA-N 1 3 374.529 3.286 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462659 498678994 /nfs/dbraw/zinc/67/89/94/498678994.db2.gz LVIDNEIKQBCBCA-PMACEKPBSA-N 1 3 364.578 3.158 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000365873962 498681490 /nfs/dbraw/zinc/68/14/90/498681490.db2.gz FFUHDFYJBUMTAA-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000365873962 498681497 /nfs/dbraw/zinc/68/14/97/498681497.db2.gz FFUHDFYJBUMTAA-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000298460563 498778568 /nfs/dbraw/zinc/77/85/68/498778568.db2.gz OFXXSSUKEWGAHV-MRXNPFEDSA-N 1 3 355.482 3.288 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3sc(Br)cc32)CC1 ZINC000294869896 498832408 /nfs/dbraw/zinc/83/24/08/498832408.db2.gz UEXHYUHUHOYYBP-CQSZACIVSA-N 1 3 372.376 3.114 20 0 FGADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000325320712 498836279 /nfs/dbraw/zinc/83/62/79/498836279.db2.gz CIGGCBMKKIUYMV-UHFFFAOYSA-N 1 3 374.312 3.152 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000363547136 498872778 /nfs/dbraw/zinc/87/27/78/498872778.db2.gz QTKOIRRPGUKLKI-SFHVURJKSA-N 1 3 372.557 3.195 20 0 FGADHO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000295084768 498903909 /nfs/dbraw/zinc/90/39/09/498903909.db2.gz UIBKMDXBRDIICZ-TUNNFDKTSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295084768 498903916 /nfs/dbraw/zinc/90/39/16/498903916.db2.gz UIBKMDXBRDIICZ-TUNNFDKTSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295084768 498903921 /nfs/dbraw/zinc/90/39/21/498903921.db2.gz UIBKMDXBRDIICZ-TUNNFDKTSA-N 1 3 350.510 3.218 20 0 FGADHO C(CN1CCC[C@@]2(CCC[N@H+](CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122204 /nfs/dbraw/zinc/12/22/04/506122204.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 1 3 350.547 3.303 20 0 FGADHO C(CN1CCC[C@@]2(CCC[N@@H+](CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122208 /nfs/dbraw/zinc/12/22/08/506122208.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 1 3 350.547 3.303 20 0 FGADHO C(C[N@H+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122210 /nfs/dbraw/zinc/12/22/10/506122210.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 1 3 350.547 3.303 20 0 FGADHO C(C[N@@H+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122214 /nfs/dbraw/zinc/12/22/14/506122214.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 1 3 350.547 3.303 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3csc4ccccc34)CC2)CC1 ZINC000299477213 499071213 /nfs/dbraw/zinc/07/12/13/499071213.db2.gz YDZNWUOYDWFUES-UHFFFAOYSA-N 1 3 371.550 3.119 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+]C3CC(c4ccccn4)C3)cc2)CC1 ZINC000367308234 499178333 /nfs/dbraw/zinc/17/83/33/499178333.db2.gz OBAYYGOBQRQKHH-UHFFFAOYSA-N 1 3 351.494 3.074 20 0 FGADHO CCN(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000576346443 506136419 /nfs/dbraw/zinc/13/64/19/506136419.db2.gz OXAINAPSUHOVQD-APWZRJJASA-N 1 3 361.505 3.057 20 0 FGADHO COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1C ZINC000367356970 499187509 /nfs/dbraw/zinc/18/75/09/499187509.db2.gz RXWWFEMBTYHYIT-IHWFROFDSA-N 1 3 367.493 3.097 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@H](CN3CCCCC3)C2)C1 ZINC000370286992 499206018 /nfs/dbraw/zinc/20/60/18/499206018.db2.gz AVHDUTNRYBGRSZ-RTWAWAEBSA-N 1 3 369.553 3.347 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@H](CN3CCCCC3)C2)C1 ZINC000370286992 499206020 /nfs/dbraw/zinc/20/60/20/499206020.db2.gz AVHDUTNRYBGRSZ-RTWAWAEBSA-N 1 3 369.553 3.347 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000367551731 499211580 /nfs/dbraw/zinc/21/15/80/499211580.db2.gz AQVCDDUXALUWOJ-OAQYLSRUSA-N 1 3 370.585 3.147 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000367551731 499211581 /nfs/dbraw/zinc/21/15/81/499211581.db2.gz AQVCDDUXALUWOJ-OAQYLSRUSA-N 1 3 370.585 3.147 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000370386401 499215485 /nfs/dbraw/zinc/21/54/85/499215485.db2.gz LPUADQVYJYKTDY-OAQYLSRUSA-N 1 3 351.494 3.143 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226513 /nfs/dbraw/zinc/22/65/13/499226513.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226515 /nfs/dbraw/zinc/22/65/15/499226515.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226517 /nfs/dbraw/zinc/22/65/17/499226517.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226519 /nfs/dbraw/zinc/22/65/19/499226519.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 1 3 351.535 3.050 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636890 499238243 /nfs/dbraw/zinc/23/82/43/499238243.db2.gz SLDDWLSHAIDRHL-GOEBONIOSA-N 1 3 353.457 3.107 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644797 499239085 /nfs/dbraw/zinc/23/90/85/499239085.db2.gz GXQKICRABDFMPJ-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644797 499239087 /nfs/dbraw/zinc/23/90/87/499239087.db2.gz GXQKICRABDFMPJ-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370698719 499245439 /nfs/dbraw/zinc/24/54/39/499245439.db2.gz JZOHPKNOMFLNKG-YJBOKZPZSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370698719 499245441 /nfs/dbraw/zinc/24/54/41/499245441.db2.gz JZOHPKNOMFLNKG-YJBOKZPZSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705973 499246265 /nfs/dbraw/zinc/24/62/65/499246265.db2.gz KQOWTPFNISFMTI-AUSIDOKSSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705973 499246267 /nfs/dbraw/zinc/24/62/67/499246267.db2.gz KQOWTPFNISFMTI-AUSIDOKSSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@H](N)c1ccccc1 ZINC000370763713 499252715 /nfs/dbraw/zinc/25/27/15/499252715.db2.gz OBNVOHZIMAJAFX-YPTYLKSTSA-N 1 3 357.542 3.482 20 0 FGADHO COc1ccc(F)cc1CNCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368233087 499276455 /nfs/dbraw/zinc/27/64/55/499276455.db2.gz VUHWFXOMHKTLFL-UHFFFAOYSA-N 1 3 363.521 3.120 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371302989 499307744 /nfs/dbraw/zinc/30/77/44/499307744.db2.gz LXUAVRRDRQQFBO-RTWAWAEBSA-N 1 3 359.558 3.030 20 0 FGADHO CN1CCC2(CCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000371315706 499309315 /nfs/dbraw/zinc/30/93/15/499309315.db2.gz VXGBFVRAKMGGAL-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[N@@H+]1C ZINC000368687124 499321893 /nfs/dbraw/zinc/32/18/93/499321893.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[N@H+]1C ZINC000368687124 499321895 /nfs/dbraw/zinc/32/18/95/499321895.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514895 499336858 /nfs/dbraw/zinc/33/68/58/499336858.db2.gz QTEMSFAKMBODGT-LDQXTDLNSA-N 1 3 362.481 3.006 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514895 499336860 /nfs/dbraw/zinc/33/68/60/499336860.db2.gz QTEMSFAKMBODGT-LDQXTDLNSA-N 1 3 362.481 3.006 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CCN(C)CC1 ZINC000371589705 499345279 /nfs/dbraw/zinc/34/52/79/499345279.db2.gz VCRXYXKOFOINAZ-MSOLQXFVSA-N 1 3 370.541 3.162 20 0 FGADHO COc1ccc(C[C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000369106849 499366103 /nfs/dbraw/zinc/36/61/03/499366103.db2.gz MJUBRBPGAHLNNT-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccc(C[C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000369106849 499366105 /nfs/dbraw/zinc/36/61/05/499366105.db2.gz MJUBRBPGAHLNNT-NRFANRHFSA-N 1 3 359.558 3.118 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000369269223 499385624 /nfs/dbraw/zinc/38/56/24/499385624.db2.gz VTVJWZDJIBRRMQ-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000369269223 499385625 /nfs/dbraw/zinc/38/56/25/499385625.db2.gz VTVJWZDJIBRRMQ-JXFKEZNVSA-N 1 3 372.944 3.346 20 0 FGADHO CC(C)n1cc([C@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000372056291 499394081 /nfs/dbraw/zinc/39/40/81/499394081.db2.gz LOHIHDYFOYYIEN-SFHVURJKSA-N 1 3 361.578 3.311 20 0 FGADHO CC(=O)N1CC[C@H](NCc2cccc(C[NH+](C)C)c2)c2ccc(F)cc2C1 ZINC000372191251 499406979 /nfs/dbraw/zinc/40/69/79/499406979.db2.gz JCBBKQLJROQKEZ-QFIPXVFZSA-N 1 3 369.484 3.470 20 0 FGADHO CC(=O)N1CC[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccc(F)cc2C1 ZINC000372191249 499407184 /nfs/dbraw/zinc/40/71/84/499407184.db2.gz JCBBKQLJROQKEZ-JOCHJYFZSA-N 1 3 369.484 3.470 20 0 FGADHO C[N@@H+]1CCCC12CCN(C(=O)C1(C)CCN(Cc3ccccc3)CC1)CC2 ZINC000372329261 499421417 /nfs/dbraw/zinc/42/14/17/499421417.db2.gz GLSYTYVRRNHXJP-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO C[N@H+]1CCCC12CCN(C(=O)C1(C)CCN(Cc3ccccc3)CC1)CC2 ZINC000372329261 499421419 /nfs/dbraw/zinc/42/14/19/499421419.db2.gz GLSYTYVRRNHXJP-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO CC1CC[NH+](CC2CCN(Cc3cn(C)nc3-c3ccncc3)CC2)CC1 ZINC000372391217 499428122 /nfs/dbraw/zinc/42/81/22/499428122.db2.gz FZFQQMANHGPGDY-UHFFFAOYSA-N 1 3 367.541 3.426 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369768401 499441665 /nfs/dbraw/zinc/44/16/65/499441665.db2.gz WOGPSPILIFCTEG-QAPCUYQASA-N 1 3 355.448 3.163 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000369768401 499441666 /nfs/dbraw/zinc/44/16/66/499441666.db2.gz WOGPSPILIFCTEG-QAPCUYQASA-N 1 3 355.448 3.163 20 0 FGADHO CN(Cc1csc(-c2ccoc2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378301224 499499568 /nfs/dbraw/zinc/49/95/68/499499568.db2.gz HSRUBJHSYVPSIH-SFHVURJKSA-N 1 3 360.527 3.003 20 0 FGADHO COc1ccc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000375599628 499536561 /nfs/dbraw/zinc/53/65/61/499536561.db2.gz QRMWJBMZLDGYFH-UHFFFAOYSA-N 1 3 359.558 3.291 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383333875 499546632 /nfs/dbraw/zinc/54/66/32/499546632.db2.gz ZWZCVGYFYDKZCV-DSKINZAPSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333875 499546634 /nfs/dbraw/zinc/54/66/34/499546634.db2.gz ZWZCVGYFYDKZCV-DSKINZAPSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333875 499546636 /nfs/dbraw/zinc/54/66/36/499546636.db2.gz ZWZCVGYFYDKZCV-DSKINZAPSA-N 1 3 372.484 3.066 20 0 FGADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000375862355 499563058 /nfs/dbraw/zinc/56/30/58/499563058.db2.gz RNRYSDJJYAHZOO-FSSWDIPSSA-N 1 3 357.542 3.176 20 0 FGADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000375862355 499563059 /nfs/dbraw/zinc/56/30/59/499563059.db2.gz RNRYSDJJYAHZOO-FSSWDIPSSA-N 1 3 357.542 3.176 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397559783 499564260 /nfs/dbraw/zinc/56/42/60/499564260.db2.gz QGCPKWUIAXYSHL-IBGZPJMESA-N 1 3 368.521 3.243 20 0 FGADHO Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000375953726 499571153 /nfs/dbraw/zinc/57/11/53/499571153.db2.gz JMAGQZIKHFLROR-GOSISDBHSA-N 1 3 364.603 3.219 20 0 FGADHO Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000375953726 499571155 /nfs/dbraw/zinc/57/11/55/499571155.db2.gz JMAGQZIKHFLROR-GOSISDBHSA-N 1 3 364.603 3.219 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000375993714 499574557 /nfs/dbraw/zinc/57/45/57/499574557.db2.gz JHHNCAIAVLZAKJ-JOCHJYFZSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296058 499598343 /nfs/dbraw/zinc/59/83/43/499598343.db2.gz LMXDLBDRUICIBK-IPMKNSEASA-N 1 3 363.546 3.406 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000411145060 499702564 /nfs/dbraw/zinc/70/25/64/499702564.db2.gz QZPHRKXRGSLYLW-IBGZPJMESA-N 1 3 351.922 3.227 20 0 FGADHO CC(C)C(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411169842 499706027 /nfs/dbraw/zinc/70/60/27/499706027.db2.gz VHOGSXFEFDQOBZ-UHFFFAOYSA-N 1 3 357.542 3.409 20 0 FGADHO COc1cc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699965 499722081 /nfs/dbraw/zinc/72/20/81/499722081.db2.gz REQGUVHQLFHNTD-INIZCTEOSA-N 1 3 360.498 3.106 20 0 FGADHO COc1cc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699965 499722082 /nfs/dbraw/zinc/72/20/82/499722082.db2.gz REQGUVHQLFHNTD-INIZCTEOSA-N 1 3 360.498 3.106 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(C2CC2)c1 ZINC000414205168 499768323 /nfs/dbraw/zinc/76/83/23/499768323.db2.gz WZALXXHKZNPGRQ-SFHVURJKSA-N 1 3 357.542 3.011 20 0 FGADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326384 499777872 /nfs/dbraw/zinc/77/78/72/499777872.db2.gz NPNRZHTXXREJJT-UTKZUKDTSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414342339 499779389 /nfs/dbraw/zinc/77/93/89/499779389.db2.gz PEJUZXZCSAHVGK-WWMYMODYSA-N 1 3 357.542 3.298 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000414346427 499779491 /nfs/dbraw/zinc/77/94/91/499779491.db2.gz VEAQLILYAUOFAT-VXKWHMMOSA-N 1 3 369.553 3.442 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000414394079 499785840 /nfs/dbraw/zinc/78/58/40/499785840.db2.gz OVNDSTKPBVXNCW-CALCHBBNSA-N 1 3 374.504 3.299 20 0 FGADHO CC(C)C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414490811 499798662 /nfs/dbraw/zinc/79/86/62/499798662.db2.gz XXUSJSZEPBCUEN-QFIPXVFZSA-N 1 3 373.585 3.203 20 0 FGADHO OC1(C[NH2+]C/C=C/c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000414546493 499806151 /nfs/dbraw/zinc/80/61/51/499806151.db2.gz GLINWSFDBSDSFG-QPJJXVBHSA-N 1 3 354.469 3.456 20 0 FGADHO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414549485 499806761 /nfs/dbraw/zinc/80/67/61/499806761.db2.gz ASDIYKSUHWCEJF-LAUBAEHRSA-N 1 3 357.542 3.300 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CNC/C=C\c3ccccc3)cc2)CC1 ZINC000414551996 499807221 /nfs/dbraw/zinc/80/72/21/499807221.db2.gz GDEHXBPVYSXWIA-DAXSKMNVSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000414551996 499807223 /nfs/dbraw/zinc/80/72/23/499807223.db2.gz GDEHXBPVYSXWIA-DAXSKMNVSA-N 1 3 363.505 3.187 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676128 499820087 /nfs/dbraw/zinc/82/00/87/499820087.db2.gz UUOUILVZRIZKEO-GOSISDBHSA-N 1 3 361.505 3.158 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676128 499820088 /nfs/dbraw/zinc/82/00/88/499820088.db2.gz UUOUILVZRIZKEO-GOSISDBHSA-N 1 3 361.505 3.158 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000412098733 499823381 /nfs/dbraw/zinc/82/33/81/499823381.db2.gz HEHDHCLSRYINQZ-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732574 499824380 /nfs/dbraw/zinc/82/43/80/499824380.db2.gz CTOPMMZSNRPOPJ-CABCVRRESA-N 1 3 371.447 3.286 20 0 FGADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732574 499824382 /nfs/dbraw/zinc/82/43/82/499824382.db2.gz CTOPMMZSNRPOPJ-CABCVRRESA-N 1 3 371.447 3.286 20 0 FGADHO CCOc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414809376 499833479 /nfs/dbraw/zinc/83/34/79/499833479.db2.gz UBEMXIHTUSZTHF-ZFWWWQNUSA-N 1 3 371.319 3.464 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414847728 499837376 /nfs/dbraw/zinc/83/73/76/499837376.db2.gz GAIPGPYSXFGCSE-RDBSUJKOSA-N 1 3 368.319 3.144 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848308 499837400 /nfs/dbraw/zinc/83/74/00/499837400.db2.gz GLNZKTWAAMOYFK-IHRRRGAJSA-N 1 3 353.894 3.043 20 0 FGADHO CC1(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000414907231 499843545 /nfs/dbraw/zinc/84/35/45/499843545.db2.gz QDKZNGZOBRKAQK-KRWDZBQOSA-N 1 3 352.906 3.377 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916704 499844235 /nfs/dbraw/zinc/84/42/35/499844235.db2.gz QDOQADNNXKQNCY-GUYCJALGSA-N 1 3 373.419 3.282 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414916704 499844236 /nfs/dbraw/zinc/84/42/36/499844236.db2.gz QDOQADNNXKQNCY-GUYCJALGSA-N 1 3 373.419 3.282 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414919524 499844648 /nfs/dbraw/zinc/84/46/48/499844648.db2.gz XGLQGKHTABGZTR-BEFAXECRSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919524 499844649 /nfs/dbraw/zinc/84/46/49/499844649.db2.gz XGLQGKHTABGZTR-BEFAXECRSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945545 499847473 /nfs/dbraw/zinc/84/74/73/499847473.db2.gz RVOQVRVTKMZDNO-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1CNCCCO1 ZINC000415034863 499856684 /nfs/dbraw/zinc/85/66/84/499856684.db2.gz IHTFOSPHMJXXHF-LJQANCHMSA-N 1 3 360.448 3.087 20 0 FGADHO CC[C@@H](CCc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415045224 499857484 /nfs/dbraw/zinc/85/74/84/499857484.db2.gz TUFGICIIDWYIBK-IRXDYDNUSA-N 1 3 355.320 3.128 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063164 499859989 /nfs/dbraw/zinc/85/99/89/499859989.db2.gz GXETYASQTKCRPW-WBMJQRKESA-N 1 3 353.894 3.173 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415070408 499860578 /nfs/dbraw/zinc/86/05/78/499860578.db2.gz UXTLLAMXLZPVRZ-MLGOLLRUSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415073039 499860863 /nfs/dbraw/zinc/86/08/63/499860863.db2.gz YVVDOQVXHDBIHO-LRDDRELGSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415072268 499860840 /nfs/dbraw/zinc/86/08/40/499860840.db2.gz VZGWKDPABQFTLZ-JSGCOSHPSA-N 1 3 359.392 3.034 20 0 FGADHO CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119351 499865895 /nfs/dbraw/zinc/86/58/95/499865895.db2.gz FDXQHFIESRKZMV-AZUAARDMSA-N 1 3 362.514 3.202 20 0 FGADHO CCCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415121382 499866331 /nfs/dbraw/zinc/86/63/31/499866331.db2.gz GYRDGYVZWVEQJV-RXVVDRJESA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000415123258 499866542 /nfs/dbraw/zinc/86/65/42/499866542.db2.gz PJTOUZFMWJMJQP-RLLQIKCJSA-N 1 3 372.557 3.107 20 0 FGADHO [NH3+]C1(CNC/C=C/c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000415135206 499868800 /nfs/dbraw/zinc/86/88/00/499868800.db2.gz PWSVUNDZAFJVJW-QPJJXVBHSA-N 1 3 353.485 3.422 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000415915581 499927839 /nfs/dbraw/zinc/92/78/39/499927839.db2.gz ZILGIMUWPVQOIL-MRXNPFEDSA-N 1 3 367.497 3.148 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(C)CC2CCN(c3ccncc3)CC2)c1 ZINC000415941993 499931170 /nfs/dbraw/zinc/93/11/70/499931170.db2.gz HTXGONFATUFLNS-UHFFFAOYSA-N 1 3 367.497 3.181 20 0 FGADHO NCc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415950504 499932444 /nfs/dbraw/zinc/93/24/44/499932444.db2.gz DOKWUIMNXMEFFP-ZDUSSCGKSA-N 1 3 370.419 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972295 499935632 /nfs/dbraw/zinc/93/56/32/499935632.db2.gz HZIFPYRLEGSAKP-OXQOHEQNSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971257 499935680 /nfs/dbraw/zinc/93/56/80/499935680.db2.gz GFTHUBPQLCQQIX-OXQOHEQNSA-N 1 3 352.482 3.320 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000415983384 499937054 /nfs/dbraw/zinc/93/70/54/499937054.db2.gz ZKRBLYQBSCDCJF-INIZCTEOSA-N 1 3 358.511 3.241 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)CC(C)C ZINC000570438148 506167939 /nfs/dbraw/zinc/16/79/39/506167939.db2.gz RVZZYTWWHFUUJL-MJGOQNOKSA-N 1 3 354.583 3.115 20 0 FGADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993108 /nfs/dbraw/zinc/99/31/08/499993108.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 1 3 366.505 3.121 20 0 FGADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993111 /nfs/dbraw/zinc/99/31/11/499993111.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 1 3 366.505 3.121 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092367 500002049 /nfs/dbraw/zinc/00/20/49/500002049.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092367 500002052 /nfs/dbraw/zinc/00/20/52/500002052.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000573317467 506170803 /nfs/dbraw/zinc/17/08/03/506170803.db2.gz JHOSTRWFULOAOE-HDMKZQKVSA-N 1 3 356.938 3.344 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)N(C)C)cc1 ZINC000417310925 500036669 /nfs/dbraw/zinc/03/66/69/500036669.db2.gz KYZQEIIPDFMWCT-VQTJNVASSA-N 1 3 372.557 3.017 20 0 FGADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000425375429 500089372 /nfs/dbraw/zinc/08/93/72/500089372.db2.gz ZOLVMHPCFYPRME-HSALFYBXSA-N 1 3 360.567 3.399 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)N(C)C)cc1 ZINC000416838902 500134622 /nfs/dbraw/zinc/13/46/22/500134622.db2.gz JLFZEMPCPCSDBD-FQEVSTJZSA-N 1 3 372.557 3.027 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847650 500137015 /nfs/dbraw/zinc/13/70/15/500137015.db2.gz VPBVXGWHJYGHAQ-PCCBWWKXSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000416887821 500147877 /nfs/dbraw/zinc/14/78/77/500147877.db2.gz OBHMSBQUAKLDHO-NRFANRHFSA-N 1 3 368.525 3.371 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414092151 500151496 /nfs/dbraw/zinc/15/14/96/500151496.db2.gz DXWPGAKUCGGBLK-GOSISDBHSA-N 1 3 368.525 3.197 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824548 500160309 /nfs/dbraw/zinc/16/03/09/500160309.db2.gz JHVVXVGSQDZNAA-CVEARBPZSA-N 1 3 353.938 3.273 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842369 500162784 /nfs/dbraw/zinc/16/27/84/500162784.db2.gz KVBNPGIQIBOOAE-PCCBWWKXSA-N 1 3 362.489 3.253 20 0 FGADHO COc1ccc([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850228 500163105 /nfs/dbraw/zinc/16/31/05/500163105.db2.gz DDUJEQXJDOUVGN-IBGZPJMESA-N 1 3 351.510 3.147 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000430214061 500210041 /nfs/dbraw/zinc/21/00/41/500210041.db2.gz WNBBPBGJAPVWES-JOCHJYFZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034852 500217604 /nfs/dbraw/zinc/21/76/04/500217604.db2.gz OXEBRPBRFZUDSF-JGUMPVPUSA-N 1 3 372.557 3.067 20 0 FGADHO C[C@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044849 500220048 /nfs/dbraw/zinc/22/00/48/500220048.db2.gz NLHJKCYDZORMOV-IFMALSPDSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044849 500220049 /nfs/dbraw/zinc/22/00/49/500220049.db2.gz NLHJKCYDZORMOV-IFMALSPDSA-N 1 3 366.509 3.040 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151960 500238164 /nfs/dbraw/zinc/23/81/64/500238164.db2.gz GINFAGGSEGIZML-IBGZPJMESA-N 1 3 372.557 3.248 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccco1 ZINC000418171358 500241747 /nfs/dbraw/zinc/24/17/47/500241747.db2.gz UPYFGCIDNWVJPK-HDMKZQKVSA-N 1 3 358.486 3.228 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175459 500242985 /nfs/dbraw/zinc/24/29/85/500242985.db2.gz FWXHRCWCAMTOOZ-CRAIPNDOSA-N 1 3 366.937 3.022 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@H](c1ccccc1)N(C)C ZINC000418189802 500245856 /nfs/dbraw/zinc/24/58/56/500245856.db2.gz VSUILIYSEXQCRO-OYNPSCLESA-N 1 3 372.557 3.242 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(CC)CC)cc1 ZINC000418215760 500250521 /nfs/dbraw/zinc/25/05/21/500250521.db2.gz NIEOAVBJDVAMAI-IFMALSPDSA-N 1 3 372.557 3.027 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430546313 500252140 /nfs/dbraw/zinc/25/21/40/500252140.db2.gz JQCSKJGRBNHYQO-LJQANCHMSA-N 1 3 371.529 3.123 20 0 FGADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560091 500254830 /nfs/dbraw/zinc/25/48/30/500254830.db2.gz YZLCXNWLOBQTDJ-IBGZPJMESA-N 1 3 359.539 3.261 20 0 FGADHO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)CN ZINC000430560091 500254832 /nfs/dbraw/zinc/25/48/32/500254832.db2.gz YZLCXNWLOBQTDJ-IBGZPJMESA-N 1 3 359.539 3.261 20 0 FGADHO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)CN ZINC000430560091 500254835 /nfs/dbraw/zinc/25/48/35/500254835.db2.gz YZLCXNWLOBQTDJ-IBGZPJMESA-N 1 3 359.539 3.261 20 0 FGADHO CN(C(=O)NCC1([NH3+])CCCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418280867 500259244 /nfs/dbraw/zinc/25/92/44/500259244.db2.gz BSKBECYVFQDPGW-UHFFFAOYSA-N 1 3 372.557 3.344 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418288502 500259681 /nfs/dbraw/zinc/25/96/81/500259681.db2.gz WHDDPHRAHCZGMI-UHFFFAOYSA-N 1 3 360.546 3.331 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322786 500261819 /nfs/dbraw/zinc/26/18/19/500261819.db2.gz FAWCVCAWHCRLAE-OXJNMPFZSA-N 1 3 360.546 3.182 20 0 FGADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418377337 500269959 /nfs/dbraw/zinc/26/99/59/500269959.db2.gz BGWCNPDOYVPSCI-ACAXCVFMSA-N 1 3 358.530 3.123 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418422205 500274188 /nfs/dbraw/zinc/27/41/88/500274188.db2.gz CZSNNSASSXJJRF-LJQANCHMSA-N 1 3 374.554 3.302 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422702435 500287353 /nfs/dbraw/zinc/28/73/53/500287353.db2.gz KRNOEQPBOCUPPO-RCCFBDPRSA-N 1 3 368.443 3.484 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704327 500287686 /nfs/dbraw/zinc/28/76/86/500287686.db2.gz KJHVUYVLJREENO-XJKSGUPXSA-N 1 3 373.360 3.278 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418530082 500287874 /nfs/dbraw/zinc/28/78/74/500287874.db2.gz VHLHCNUNOPEAGK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422710363 500287902 /nfs/dbraw/zinc/28/79/02/500287902.db2.gz LTRGTTKBTYSSLV-KBXCAEBGSA-N 1 3 355.448 3.257 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723357 500290175 /nfs/dbraw/zinc/29/01/75/500290175.db2.gz RCDWECXOGOJPPX-CQSZACIVSA-N 1 3 374.479 3.442 20 0 FGADHO C[C@H](COc1cccc(F)c1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740692 500292129 /nfs/dbraw/zinc/29/21/29/500292129.db2.gz OCVUZEFHBJEYFV-VMRPVKRXSA-N 1 3 356.441 3.439 20 0 FGADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422743348 500293163 /nfs/dbraw/zinc/29/31/63/500293163.db2.gz UBPAPGRENJYHNS-YZGWKJHDSA-N 1 3 358.526 3.254 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753355 500294721 /nfs/dbraw/zinc/29/47/21/500294721.db2.gz CEJXZDJQDZPEFB-GUYCJALGSA-N 1 3 354.441 3.327 20 0 FGADHO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422768506 500296082 /nfs/dbraw/zinc/29/60/82/500296082.db2.gz SFNWYLOAEFNYMY-FDFHNCONSA-N 1 3 369.553 3.439 20 0 FGADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789323 500298214 /nfs/dbraw/zinc/29/82/14/500298214.db2.gz OBFQIYAXICTEKD-PCCBWWKXSA-N 1 3 356.489 3.454 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418653455 500301334 /nfs/dbraw/zinc/30/13/34/500301334.db2.gz AOVYQYALKVHBNK-FQEVSTJZSA-N 1 3 360.546 3.374 20 0 FGADHO Fc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818760 500301953 /nfs/dbraw/zinc/30/19/53/500301953.db2.gz LEOCPZCPXWKLKW-YLJYHZDGSA-N 1 3 360.404 3.189 20 0 FGADHO CN(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000422820797 500302102 /nfs/dbraw/zinc/30/21/02/500302102.db2.gz SGCMLGKSARARIX-RBBKRZOGSA-N 1 3 369.484 3.103 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422815502 500302152 /nfs/dbraw/zinc/30/21/52/500302152.db2.gz XRLRVWBLXMYAQN-VXKWHMMOSA-N 1 3 358.574 3.147 20 0 FGADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821636 500302477 /nfs/dbraw/zinc/30/24/77/500302477.db2.gz XQGWAJAQFRMHSG-BURNTYAHSA-N 1 3 351.579 3.024 20 0 FGADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840516 500304366 /nfs/dbraw/zinc/30/43/66/500304366.db2.gz TVVPSJYUUIVKGU-XPWALMASSA-N 1 3 371.569 3.044 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422851673 500306250 /nfs/dbraw/zinc/30/62/50/500306250.db2.gz PKSATYBRCLQWHR-UAFMIMERSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(COCc2ccccc2)cc1 ZINC000422856858 500306565 /nfs/dbraw/zinc/30/65/65/500306565.db2.gz GSVABUCIDXZLFA-BULFRSBZSA-N 1 3 354.494 3.245 20 0 FGADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422869543 500308027 /nfs/dbraw/zinc/30/80/27/500308027.db2.gz ANLYJOFTQVXYTQ-LNRXMEIDSA-N 1 3 369.553 3.121 20 0 FGADHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC(F)F ZINC000422877283 500308880 /nfs/dbraw/zinc/30/88/80/500308880.db2.gz HQZZRWLDZLYKBO-LBPRGKRZSA-N 1 3 365.424 3.352 20 0 FGADHO C[C@H](NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903520 500313628 /nfs/dbraw/zinc/31/36/28/500313628.db2.gz WHPITGQNKUDPSX-RLFYNMQTSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905335 500314481 /nfs/dbraw/zinc/31/44/81/500314481.db2.gz HVLBOFRABVMDAJ-LDTOTXGLSA-N 1 3 365.949 3.036 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905335 500314484 /nfs/dbraw/zinc/31/44/84/500314484.db2.gz HVLBOFRABVMDAJ-LDTOTXGLSA-N 1 3 365.949 3.036 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422926728 500317723 /nfs/dbraw/zinc/31/77/23/500317723.db2.gz DTCCQEAFVVNZPN-ABSDTBQOSA-N 1 3 361.530 3.020 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935168 500319586 /nfs/dbraw/zinc/31/95/86/500319586.db2.gz DEMQOCQNCKZYPE-BULFRSBZSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(OCc2ccccc2)cc1 ZINC000422935168 500319589 /nfs/dbraw/zinc/31/95/89/500319589.db2.gz DEMQOCQNCKZYPE-BULFRSBZSA-N 1 3 354.494 3.150 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCOc3c(Cl)cccc32)CC[NH2+]CC1 ZINC000422938177 500319814 /nfs/dbraw/zinc/31/98/14/500319814.db2.gz GTHQEOATAJHCBP-XJKSGUPXSA-N 1 3 366.889 3.075 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947426 500321619 /nfs/dbraw/zinc/32/16/19/500321619.db2.gz PZUVNBVDPJFRNI-NQDIBGKZSA-N 1 3 371.569 3.306 20 0 FGADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Sc1ccc(Br)cc1 ZINC000422952505 500322525 /nfs/dbraw/zinc/32/25/25/500322525.db2.gz COKRJHQXRQOYOW-NOXHYTERSA-N 1 3 373.360 3.272 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)Sc1ccc(Br)cc1 ZINC000422952505 500322527 /nfs/dbraw/zinc/32/25/27/500322527.db2.gz COKRJHQXRQOYOW-NOXHYTERSA-N 1 3 373.360 3.272 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012857 500322678 /nfs/dbraw/zinc/32/26/78/500322678.db2.gz GTBZDOAVXKVCFI-QZTJIDSGSA-N 1 3 365.521 3.481 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951285 500322892 /nfs/dbraw/zinc/32/28/92/500322892.db2.gz XVYCWHARBYYVQZ-VKJFTORMSA-N 1 3 366.347 3.383 20 0 FGADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015556 500331214 /nfs/dbraw/zinc/33/12/14/500331214.db2.gz ADBQIPVQTODZQL-FHLIZLRMSA-N 1 3 352.881 3.257 20 0 FGADHO Fc1ccccc1NCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038420 500333839 /nfs/dbraw/zinc/33/38/39/500333839.db2.gz YSZPBZVZYQAWFF-CTNGQTDRSA-N 1 3 355.457 3.473 20 0 FGADHO Fc1ccccc1NCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038422 500333860 /nfs/dbraw/zinc/33/38/60/500333860.db2.gz YSZPBZVZYQAWFF-PZJWPPBQSA-N 1 3 355.457 3.473 20 0 FGADHO C[C@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000431103787 500336467 /nfs/dbraw/zinc/33/64/67/500336467.db2.gz RFFFYAMWTXCOMV-IDRNXTJZSA-N 1 3 369.553 3.324 20 0 FGADHO Cc1cc(CN[C@H]2CC[NH2+]CC[C@H]2C)ccc1I ZINC000423101206 500342748 /nfs/dbraw/zinc/34/27/48/500342748.db2.gz VOPVBRAELJHASJ-ABAIWWIYSA-N 1 3 358.267 3.077 20 0 FGADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423128498 500346058 /nfs/dbraw/zinc/34/60/58/500346058.db2.gz DECXXNZOAFHFMK-PBHICJAKSA-N 1 3 362.901 3.448 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1OC ZINC000423147039 500348228 /nfs/dbraw/zinc/34/82/28/500348228.db2.gz BVKHQJYEQRTXEN-DOTOQJQBSA-N 1 3 350.503 3.013 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423147039 500348230 /nfs/dbraw/zinc/34/82/30/500348230.db2.gz BVKHQJYEQRTXEN-DOTOQJQBSA-N 1 3 350.503 3.013 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2C[C@@H](N)c3ccccc32)c(OC)c1 ZINC000423162173 500349974 /nfs/dbraw/zinc/34/99/74/500349974.db2.gz SWTWTFKMBQMNPY-BKTGTZMESA-N 1 3 356.466 3.378 20 0 FGADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423173189 500351287 /nfs/dbraw/zinc/35/12/87/500351287.db2.gz XIJAZCXIVGJGHL-KRXUUXHPSA-N 1 3 350.462 3.144 20 0 FGADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423270749 500360467 /nfs/dbraw/zinc/36/04/67/500360467.db2.gz IJFWKSRTUBBTBW-OLZOCXBDSA-N 1 3 360.283 3.057 20 0 FGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423270749 500360470 /nfs/dbraw/zinc/36/04/70/500360470.db2.gz IJFWKSRTUBBTBW-OLZOCXBDSA-N 1 3 360.283 3.057 20 0 FGADHO FC(F)(F)[C@H](CN[C@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372805 500368497 /nfs/dbraw/zinc/36/84/97/500368497.db2.gz BJOZUPSUWIXDKU-HOTGVXAUSA-N 1 3 361.477 3.405 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423378223 500369090 /nfs/dbraw/zinc/36/90/90/500369090.db2.gz WGKJKROMOWUVFW-DAXOMENPSA-N 1 3 372.294 3.472 20 0 FGADHO COCCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423384981 500368895 /nfs/dbraw/zinc/36/88/95/500368895.db2.gz LESDNEJMLLOKBR-HNNXBMFYSA-N 1 3 356.466 3.174 20 0 FGADHO COCC1(CN[C@H](C)c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000423413699 500372288 /nfs/dbraw/zinc/37/22/88/500372288.db2.gz ZRIAIFCXHLWVAB-GFCCVEGCSA-N 1 3 359.283 3.255 20 0 FGADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460869 500375843 /nfs/dbraw/zinc/37/58/43/500375843.db2.gz BPOCRPZOLPIGMQ-FBBABVLZSA-N 1 3 370.468 3.121 20 0 FGADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)CO2 ZINC000423460869 500375844 /nfs/dbraw/zinc/37/58/44/500375844.db2.gz BPOCRPZOLPIGMQ-FBBABVLZSA-N 1 3 370.468 3.121 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427275569 500376690 /nfs/dbraw/zinc/37/66/90/500376690.db2.gz PQCAYPKHOXGZIW-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479819 500378233 /nfs/dbraw/zinc/37/82/33/500378233.db2.gz VCUCWTLXXYQMAI-UHOSZYNNSA-N 1 3 362.489 3.230 20 0 FGADHO CC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1(C(=O)OC)CCC1 ZINC000423479819 500378235 /nfs/dbraw/zinc/37/82/35/500378235.db2.gz VCUCWTLXXYQMAI-UHOSZYNNSA-N 1 3 362.489 3.230 20 0 FGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1 ZINC000423531603 500383188 /nfs/dbraw/zinc/38/31/88/500383188.db2.gz SXMLVDIKAFDDKZ-WPIBWQAYSA-N 1 3 351.498 3.072 20 0 FGADHO Cc1nc2c(s1)[C@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CCC2 ZINC000423562018 500384862 /nfs/dbraw/zinc/38/48/62/500384862.db2.gz KHZNPRJMXBIUHY-GOSISDBHSA-N 1 3 370.566 3.412 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546043 506192489 /nfs/dbraw/zinc/19/24/89/506192489.db2.gz VILJNXOFARXORG-AZUAARDMSA-N 1 3 368.456 3.038 20 0 FGADHO C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000423741214 500398376 /nfs/dbraw/zinc/39/83/76/500398376.db2.gz HGHPSVJOUSRESU-TZIWHRDSSA-N 1 3 359.558 3.035 20 0 FGADHO COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431652416 500403460 /nfs/dbraw/zinc/40/34/60/500403460.db2.gz CEKFGNQLPGPEER-PZJWPPBQSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431652416 500403463 /nfs/dbraw/zinc/40/34/63/500403463.db2.gz CEKFGNQLPGPEER-PZJWPPBQSA-N 1 3 373.541 3.213 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000423837057 500409622 /nfs/dbraw/zinc/40/96/22/500409622.db2.gz GNCGINCKJXAMQD-FXAWDEMLSA-N 1 3 358.530 3.063 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307923 500438166 /nfs/dbraw/zinc/43/81/66/500438166.db2.gz RRVZBEURQMUYBO-GGAORHGYSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307923 500438169 /nfs/dbraw/zinc/43/81/69/500438169.db2.gz RRVZBEURQMUYBO-GGAORHGYSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000420315250 500439732 /nfs/dbraw/zinc/43/97/32/500439732.db2.gz LKGCXWDLMCESHC-LJQANCHMSA-N 1 3 367.493 3.088 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321481 500440670 /nfs/dbraw/zinc/44/06/70/500440670.db2.gz VHYXTAZJWRPBHL-INIZCTEOSA-N 1 3 356.466 3.431 20 0 FGADHO CSc1ccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377475 500451262 /nfs/dbraw/zinc/45/12/62/500451262.db2.gz LCDMIRJCFYMSEI-RTBURBONSA-N 1 3 350.528 3.006 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000420382564 500451751 /nfs/dbraw/zinc/45/17/51/500451751.db2.gz DQZZGOHJRBBCMQ-KBXCAEBGSA-N 1 3 356.869 3.076 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289545 500481778 /nfs/dbraw/zinc/48/17/78/500481778.db2.gz LXGSQOWSGDBSOH-GCJKJVERSA-N 1 3 369.553 3.498 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295864 500482996 /nfs/dbraw/zinc/48/29/96/500482996.db2.gz RLJSHSCQSBWAFG-ZWKOTPCHSA-N 1 3 369.553 3.207 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580081 506199170 /nfs/dbraw/zinc/19/91/70/506199170.db2.gz LKFBKWYBYQIZPL-XMSQKQJNSA-N 1 3 365.521 3.356 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580078 506199218 /nfs/dbraw/zinc/19/92/18/506199218.db2.gz LKFBKWYBYQIZPL-AVRDEDQJSA-N 1 3 365.521 3.356 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784488 500500611 /nfs/dbraw/zinc/50/06/11/500500611.db2.gz GZFZOSFUQQQRKQ-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425105 500514719 /nfs/dbraw/zinc/51/47/19/500514719.db2.gz LBGFXSFZKZABIV-FUHWJXTLSA-N 1 3 350.503 3.245 20 0 FGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425105 500514722 /nfs/dbraw/zinc/51/47/22/500514722.db2.gz LBGFXSFZKZABIV-FUHWJXTLSA-N 1 3 350.503 3.245 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853216 500515994 /nfs/dbraw/zinc/51/59/94/500515994.db2.gz XWVDKICXVLPMHN-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853216 500515995 /nfs/dbraw/zinc/51/59/95/500515995.db2.gz XWVDKICXVLPMHN-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544688 /nfs/dbraw/zinc/54/46/88/500544688.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 1 3 360.546 3.069 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544689 /nfs/dbraw/zinc/54/46/89/500544689.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 1 3 360.546 3.069 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565300 /nfs/dbraw/zinc/56/53/00/500565300.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 1 3 369.553 3.135 20 0 FGADHO CN(CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565301 /nfs/dbraw/zinc/56/53/01/500565301.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442876580 500637900 /nfs/dbraw/zinc/63/79/00/500637900.db2.gz RVIOUULHWJERMT-HNNXBMFYSA-N 1 3 357.464 3.252 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442880291 500638859 /nfs/dbraw/zinc/63/88/59/500638859.db2.gz XHGHHEDGKSNHFT-GOSISDBHSA-N 1 3 365.949 3.478 20 0 FGADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc21 ZINC000570630052 506207854 /nfs/dbraw/zinc/20/78/54/506207854.db2.gz HBFAUBCIHQAVMK-UHFFFAOYSA-N 1 3 368.525 3.081 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061677 500671638 /nfs/dbraw/zinc/67/16/38/500671638.db2.gz SDKHHXHOHCYTBD-HRAATJIYSA-N 1 3 361.505 3.234 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000433574416 500715616 /nfs/dbraw/zinc/71/56/16/500715616.db2.gz IUYMFLZBSFYOAV-NRFANRHFSA-N 1 3 370.541 3.099 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000448211735 500733420 /nfs/dbraw/zinc/73/34/20/500733420.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000448211735 500733422 /nfs/dbraw/zinc/73/34/22/500733422.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000448252165 500739052 /nfs/dbraw/zinc/73/90/52/500739052.db2.gz LZHVGDACBGMKDT-LNLFQRSKSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252165 500739057 /nfs/dbraw/zinc/73/90/57/500739057.db2.gz LZHVGDACBGMKDT-LNLFQRSKSA-N 1 3 364.578 3.059 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000443687632 500756236 /nfs/dbraw/zinc/75/62/36/500756236.db2.gz RVSSYAWHVFJZDX-GOSISDBHSA-N 1 3 362.562 3.045 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434346780 500829255 /nfs/dbraw/zinc/82/92/55/500829255.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 1 3 364.578 3.157 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434346780 500829257 /nfs/dbraw/zinc/82/92/57/500829257.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 1 3 364.578 3.157 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000439297304 500882507 /nfs/dbraw/zinc/88/25/07/500882507.db2.gz LWSXCPOKDUYPJP-KRWDZBQOSA-N 1 3 368.591 3.188 20 0 FGADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000434778056 500893502 /nfs/dbraw/zinc/89/35/02/500893502.db2.gz ROAKLBBIRYSIRX-FXAWDEMLSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCOCC1 ZINC000449162945 500938292 /nfs/dbraw/zinc/93/82/92/500938292.db2.gz KUDXJGYGQBINEK-SFHVURJKSA-N 1 3 353.595 3.224 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439844137 500944989 /nfs/dbraw/zinc/94/49/89/500944989.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439844137 500944991 /nfs/dbraw/zinc/94/49/91/500944991.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375363 500962259 /nfs/dbraw/zinc/96/22/59/500962259.db2.gz UPDDRQXGOURUPM-PXNSSMCTSA-N 1 3 367.493 3.027 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383764 500964280 /nfs/dbraw/zinc/96/42/80/500964280.db2.gz JSWMQVSZIAQCTE-ZFWWWQNUSA-N 1 3 352.404 3.450 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388655 500965767 /nfs/dbraw/zinc/96/57/67/500965767.db2.gz IHNUVQOLCZVWPS-IOMROCGXSA-N 1 3 359.477 3.103 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387572 500965966 /nfs/dbraw/zinc/96/59/66/500965966.db2.gz ASMRHJVRWALUKB-FVQBIDKESA-N 1 3 350.388 3.060 20 0 FGADHO CC[NH2+]CC1CCN(Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000435390067 500966613 /nfs/dbraw/zinc/96/66/13/500966613.db2.gz QHXIHSHDUULCGI-UHFFFAOYSA-N 1 3 360.420 3.458 20 0 FGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369137 500988413 /nfs/dbraw/zinc/98/84/13/500988413.db2.gz BBRJMZQPCMPSSD-NNZWXOEDSA-N 1 3 370.603 3.223 20 0 FGADHO CCO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000449490817 501015556 /nfs/dbraw/zinc/01/55/56/501015556.db2.gz CZZSNDOMZJJWHR-GCJKJVERSA-N 1 3 359.558 3.464 20 0 FGADHO CCO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000449490817 501015557 /nfs/dbraw/zinc/01/55/57/501015557.db2.gz CZZSNDOMZJJWHR-GCJKJVERSA-N 1 3 359.558 3.464 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538764 501020918 /nfs/dbraw/zinc/02/09/18/501020918.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538764 501020922 /nfs/dbraw/zinc/02/09/22/501020922.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 1 3 357.542 3.231 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)c(C)c2)CC1 ZINC000435816126 501032966 /nfs/dbraw/zinc/03/29/66/501032966.db2.gz BUIBQEINTDFENB-QRVBRYPASA-N 1 3 372.557 3.337 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)c(C)c2)CC1 ZINC000435816126 501032970 /nfs/dbraw/zinc/03/29/70/501032970.db2.gz BUIBQEINTDFENB-QRVBRYPASA-N 1 3 372.557 3.337 20 0 FGADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000445972483 501056574 /nfs/dbraw/zinc/05/65/74/501056574.db2.gz WMUYJSZSBPVCHV-FQEVSTJZSA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+]1CCC(CCNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000441007310 501074270 /nfs/dbraw/zinc/07/42/70/501074270.db2.gz CHPDISOJHJHRJX-UHFFFAOYSA-N 1 3 364.578 3.064 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000449785991 501087253 /nfs/dbraw/zinc/08/72/53/501087253.db2.gz KJLSXINHFVSGQQ-NRFANRHFSA-N 1 3 358.574 3.132 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000449785991 501087258 /nfs/dbraw/zinc/08/72/58/501087258.db2.gz KJLSXINHFVSGQQ-NRFANRHFSA-N 1 3 358.574 3.132 20 0 FGADHO Fc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1CN1CC[C@]2(CCOC2)C1 ZINC000450484851 501133666 /nfs/dbraw/zinc/13/36/66/501133666.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 1 3 374.500 3.051 20 0 FGADHO Fc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1CN1CC[C@]2(CCOC2)C1 ZINC000450484851 501133668 /nfs/dbraw/zinc/13/36/68/501133668.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 1 3 374.500 3.051 20 0 FGADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449872 501141476 /nfs/dbraw/zinc/14/14/76/501141476.db2.gz RMOPWVHNLPDELE-QGZVFWFLSA-N 1 3 363.933 3.154 20 0 FGADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449872 501141481 /nfs/dbraw/zinc/14/14/81/501141481.db2.gz RMOPWVHNLPDELE-QGZVFWFLSA-N 1 3 363.933 3.154 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446611708 501141713 /nfs/dbraw/zinc/14/17/13/501141713.db2.gz ACGGRCVUJVGGHA-UYAOXDASSA-N 1 3 372.557 3.338 20 0 FGADHO CN(CC[N@H+](C)CC1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000450643156 501173690 /nfs/dbraw/zinc/17/36/90/501173690.db2.gz QJBMUXNTPGBGCG-UHFFFAOYSA-N 1 3 352.526 3.362 20 0 FGADHO CN(CC[N@@H+](C)CC1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000450643156 501173695 /nfs/dbraw/zinc/17/36/95/501173695.db2.gz QJBMUXNTPGBGCG-UHFFFAOYSA-N 1 3 352.526 3.362 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(OCCN(C)C)cc1 ZINC000453248370 501298685 /nfs/dbraw/zinc/29/86/85/501298685.db2.gz PNGIZAGPLMSMKL-JXFKEZNVSA-N 1 3 360.473 3.020 20 0 FGADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N1CCC(C)CC1 ZINC000455947595 501423597 /nfs/dbraw/zinc/42/35/97/501423597.db2.gz XMSPPZVUYDTLPM-UZLBHIALSA-N 1 3 358.530 3.477 20 0 FGADHO CC(C)N1CCN(c2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2)CC1 ZINC000456162082 501467110 /nfs/dbraw/zinc/46/71/10/501467110.db2.gz ASOFVKRBPQDZJN-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665701 501502928 /nfs/dbraw/zinc/50/29/28/501502928.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665701 501502930 /nfs/dbraw/zinc/50/29/30/501502930.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)N(C)C ZINC000454357391 501522453 /nfs/dbraw/zinc/52/24/53/501522453.db2.gz CRXNOYSBGMHIFT-KRWDZBQOSA-N 1 3 360.546 3.200 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)C ZINC000454357391 501522454 /nfs/dbraw/zinc/52/24/54/501522454.db2.gz CRXNOYSBGMHIFT-KRWDZBQOSA-N 1 3 360.546 3.200 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000458793582 501533008 /nfs/dbraw/zinc/53/30/08/501533008.db2.gz NNMHKNFPPWXSDI-FPOVZHCZSA-N 1 3 374.573 3.225 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000458793582 501533011 /nfs/dbraw/zinc/53/30/11/501533011.db2.gz NNMHKNFPPWXSDI-FPOVZHCZSA-N 1 3 374.573 3.225 20 0 FGADHO Cc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000454466735 501552202 /nfs/dbraw/zinc/55/22/02/501552202.db2.gz YHUQGLGOHNHTLS-UHFFFAOYSA-N 1 3 372.557 3.003 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981239 501570167 /nfs/dbraw/zinc/57/01/67/501570167.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981239 501570170 /nfs/dbraw/zinc/57/01/70/501570170.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO CCOC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007306 501600080 /nfs/dbraw/zinc/60/00/80/501600080.db2.gz CWZMYCRQJSWZSP-RTWAWAEBSA-N 1 3 360.542 3.006 20 0 FGADHO CCOC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007306 501600082 /nfs/dbraw/zinc/60/00/82/501600082.db2.gz CWZMYCRQJSWZSP-RTWAWAEBSA-N 1 3 360.542 3.006 20 0 FGADHO CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459158320 501605660 /nfs/dbraw/zinc/60/56/60/501605660.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459158320 501605663 /nfs/dbraw/zinc/60/56/63/501605663.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO Clc1cccc(CC[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000459383393 501643705 /nfs/dbraw/zinc/64/37/05/501643705.db2.gz BMGWKDUEVCWICS-UHFFFAOYSA-N 1 3 358.917 3.079 20 0 FGADHO CC[N@H+](CCNC(=O)N1CCCN(CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265799 /nfs/dbraw/zinc/26/57/99/506265799.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO CC[N@@H+](CCNC(=O)N1CCCN(CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265808 /nfs/dbraw/zinc/26/58/08/506265808.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO O=C1[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000459442400 501654633 /nfs/dbraw/zinc/65/46/33/501654633.db2.gz JLPFGAZDQWUOGC-IBGZPJMESA-N 1 3 370.884 3.099 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000467352301 501775509 /nfs/dbraw/zinc/77/55/09/501775509.db2.gz GBLXJSJKBZLSQI-NRFANRHFSA-N 1 3 357.473 3.445 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470742178 501789082 /nfs/dbraw/zinc/78/90/82/501789082.db2.gz GSAPRTCTCGVCOE-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000477910793 501826618 /nfs/dbraw/zinc/82/66/18/501826618.db2.gz GFQKQLDZASCEEM-CTNGQTDRSA-N 1 3 359.558 3.160 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCC1 ZINC000611738147 506277988 /nfs/dbraw/zinc/27/79/88/506277988.db2.gz WDTTZRWFIJUQKT-OAQYLSRUSA-N 1 3 374.573 3.448 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896610 /nfs/dbraw/zinc/89/66/10/501896610.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896613 /nfs/dbraw/zinc/89/66/13/501896613.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 1 3 367.921 3.482 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973648 501917200 /nfs/dbraw/zinc/91/72/00/501917200.db2.gz NUVGLEQACXCKCZ-IRFCIJBXSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121754 502067699 /nfs/dbraw/zinc/06/76/99/502067699.db2.gz SELQKLAJHMHOIN-ROUUACIJSA-N 1 3 364.578 3.346 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475128552 502069342 /nfs/dbraw/zinc/06/93/42/502069342.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475128552 502069344 /nfs/dbraw/zinc/06/93/44/502069344.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525295 502092031 /nfs/dbraw/zinc/09/20/31/502092031.db2.gz VDBDZNWYGAEITN-WFXMLNOXSA-N 1 3 357.542 3.058 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525295 502092037 /nfs/dbraw/zinc/09/20/37/502092037.db2.gz VDBDZNWYGAEITN-WFXMLNOXSA-N 1 3 357.542 3.058 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000468664663 502140239 /nfs/dbraw/zinc/14/02/39/502140239.db2.gz BQKPIRQMVMDBJX-TZIWHRDSSA-N 1 3 374.573 3.270 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Cl)c1C ZINC000468877324 502215513 /nfs/dbraw/zinc/21/55/13/502215513.db2.gz HZLFWWAWEDVFJK-MRXNPFEDSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Cl)c1C ZINC000468877324 502215518 /nfs/dbraw/zinc/21/55/18/502215518.db2.gz HZLFWWAWEDVFJK-MRXNPFEDSA-N 1 3 351.922 3.137 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139919 502245693 /nfs/dbraw/zinc/24/56/93/502245693.db2.gz IYJNOHFNAIKUMG-ZWKOTPCHSA-N 1 3 371.525 3.163 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000462010635 502273562 /nfs/dbraw/zinc/27/35/62/502273562.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000462010635 502273567 /nfs/dbraw/zinc/27/35/67/502273567.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462016157 502275488 /nfs/dbraw/zinc/27/54/88/502275488.db2.gz QGKCINPAHAWSML-SFHVURJKSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462016157 502275491 /nfs/dbraw/zinc/27/54/91/502275491.db2.gz QGKCINPAHAWSML-SFHVURJKSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141582 502287772 /nfs/dbraw/zinc/28/77/72/502287772.db2.gz KKAJEEVIYUPZIN-ZXFNITATSA-N 1 3 371.447 3.482 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141582 502287775 /nfs/dbraw/zinc/28/77/75/502287775.db2.gz KKAJEEVIYUPZIN-ZXFNITATSA-N 1 3 371.447 3.482 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550146 502302657 /nfs/dbraw/zinc/30/26/57/502302657.db2.gz WLGCBGKJDIVYOQ-HXUWFJFHSA-N 1 3 374.573 3.022 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550146 502302662 /nfs/dbraw/zinc/30/26/62/502302662.db2.gz WLGCBGKJDIVYOQ-HXUWFJFHSA-N 1 3 374.573 3.022 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627787 502329850 /nfs/dbraw/zinc/32/98/50/502329850.db2.gz HFGYUFMRMXKNOR-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO C[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465633603 502332291 /nfs/dbraw/zinc/33/22/91/502332291.db2.gz PVIWRGQGHGWMEU-FQEVSTJZSA-N 1 3 372.557 3.168 20 0 FGADHO CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000469321195 502375184 /nfs/dbraw/zinc/37/51/84/502375184.db2.gz HDHZWBJAEWDUNE-BRSBDYLESA-N 1 3 356.432 3.454 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000479808533 502384278 /nfs/dbraw/zinc/38/42/78/502384278.db2.gz BZFIJCFILPCYFE-UHFFFAOYSA-N 1 3 366.594 3.406 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000483494475 502411083 /nfs/dbraw/zinc/41/10/83/502411083.db2.gz ADIPZMYLHQZARA-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000483494475 502411088 /nfs/dbraw/zinc/41/10/88/502411088.db2.gz ADIPZMYLHQZARA-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425824 502412624 /nfs/dbraw/zinc/41/26/24/502412624.db2.gz GMOYMLQOCHVZGR-OAQYLSRUSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558509 502431695 /nfs/dbraw/zinc/43/16/95/502431695.db2.gz JIGPKKFTJBXAHI-PWRODBHTSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558509 502431697 /nfs/dbraw/zinc/43/16/97/502431697.db2.gz JIGPKKFTJBXAHI-PWRODBHTSA-N 1 3 357.542 3.086 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942617 502434877 /nfs/dbraw/zinc/43/48/77/502434877.db2.gz NJURYCNPTLGFBB-NRFANRHFSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761561 502536492 /nfs/dbraw/zinc/53/64/92/502536492.db2.gz UTPPQYKJOREGPA-WGMWDUQUSA-N 1 3 359.558 3.285 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749069 502556695 /nfs/dbraw/zinc/55/66/95/502556695.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749069 502556699 /nfs/dbraw/zinc/55/66/99/502556699.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000466421345 502566147 /nfs/dbraw/zinc/56/61/47/502566147.db2.gz DGIDSIDAPKSWMG-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000476762186 502580588 /nfs/dbraw/zinc/58/05/88/502580588.db2.gz MURFWNCJQFCKCA-HLLBOEOZSA-N 1 3 351.560 3.414 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823674 502588553 /nfs/dbraw/zinc/58/85/53/502588553.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823674 502588556 /nfs/dbraw/zinc/58/85/56/502588556.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 1 3 369.553 3.278 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596615 /nfs/dbraw/zinc/59/66/15/502596615.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596617 /nfs/dbraw/zinc/59/66/17/502596617.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 1 3 372.557 3.164 20 0 FGADHO CC[C@@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[NH+](CC)CC ZINC000473523893 502622135 /nfs/dbraw/zinc/62/21/35/502622135.db2.gz UDHKPNRAZOZRRU-GPANFISMSA-N 1 3 363.468 3.028 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000470014053 502630134 /nfs/dbraw/zinc/63/01/34/502630134.db2.gz UMSPJJQRMQJEED-SIKLNZKXSA-N 1 3 371.569 3.272 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000480679626 502640611 /nfs/dbraw/zinc/64/06/11/502640611.db2.gz VPYIKTINHZBOTH-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679626 502640612 /nfs/dbraw/zinc/64/06/12/502640612.db2.gz VPYIKTINHZBOTH-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679626 502640614 /nfs/dbraw/zinc/64/06/14/502640614.db2.gz VPYIKTINHZBOTH-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000484433063 502642334 /nfs/dbraw/zinc/64/23/34/502642334.db2.gz AHQUNCVRDNCIEK-YLJYHZDGSA-N 1 3 372.557 3.212 20 0 FGADHO CCOc1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173138 502646706 /nfs/dbraw/zinc/64/67/06/502646706.db2.gz BTNLNPRLRZNCLH-JKSUJKDBSA-N 1 3 355.482 3.493 20 0 FGADHO CCOc1cc2nccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173138 502646709 /nfs/dbraw/zinc/64/67/09/502646709.db2.gz BTNLNPRLRZNCLH-JKSUJKDBSA-N 1 3 355.482 3.493 20 0 FGADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000463035505 502669126 /nfs/dbraw/zinc/66/91/26/502669126.db2.gz QRUKPEUTWWXQNY-SFTDATJTSA-N 1 3 359.558 3.116 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484646316 502694677 /nfs/dbraw/zinc/69/46/77/502694677.db2.gz UNXBXRNIEMERII-PZJWPPBQSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115222 502699620 /nfs/dbraw/zinc/69/96/20/502699620.db2.gz XEINZEXEAUJLCV-NQIIRXRSSA-N 1 3 354.494 3.200 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115222 502699627 /nfs/dbraw/zinc/69/96/27/502699627.db2.gz XEINZEXEAUJLCV-NQIIRXRSSA-N 1 3 354.494 3.200 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971048 502716750 /nfs/dbraw/zinc/71/67/50/502716750.db2.gz ZVQABXMMNXYFCB-MSOLQXFVSA-N 1 3 371.569 3.405 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732919 /nfs/dbraw/zinc/73/29/19/502732919.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732922 /nfs/dbraw/zinc/73/29/22/502732922.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131525 502829238 /nfs/dbraw/zinc/82/92/38/502829238.db2.gz IWMQGQCUZHGPMX-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccco1 ZINC000495455174 502842039 /nfs/dbraw/zinc/84/20/39/502842039.db2.gz NEMPNGZZZJSLLJ-BSDSXHPESA-N 1 3 364.534 3.271 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091565 502877898 /nfs/dbraw/zinc/87/78/98/502877898.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091565 502877899 /nfs/dbraw/zinc/87/78/99/502877899.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)C ZINC000489154252 502889877 /nfs/dbraw/zinc/88/98/77/502889877.db2.gz YDYGWQZYGVRPMD-UHFFFAOYSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C(C)C ZINC000489154252 502889883 /nfs/dbraw/zinc/88/98/83/502889883.db2.gz YDYGWQZYGVRPMD-UHFFFAOYSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019866 502913486 /nfs/dbraw/zinc/91/34/86/502913486.db2.gz AXRMYIQGPQKDNG-QPIRBTGLSA-N 1 3 372.557 3.313 20 0 FGADHO CN(CC(=O)N(C)C1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501038835 502918949 /nfs/dbraw/zinc/91/89/49/502918949.db2.gz KOZHUARZXGWKHR-UHFFFAOYSA-N 1 3 358.530 3.021 20 0 FGADHO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063147 502925380 /nfs/dbraw/zinc/92/53/80/502925380.db2.gz GFZZFNHEBJMCOR-UGKGYDQZSA-N 1 3 359.558 3.494 20 0 FGADHO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063147 502925382 /nfs/dbraw/zinc/92/53/82/502925382.db2.gz GFZZFNHEBJMCOR-UGKGYDQZSA-N 1 3 359.558 3.494 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149875 502949670 /nfs/dbraw/zinc/94/96/70/502949670.db2.gz IFJZANOMJFIRAI-RCCFBDPRSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149875 502949674 /nfs/dbraw/zinc/94/96/74/502949674.db2.gz IFJZANOMJFIRAI-RCCFBDPRSA-N 1 3 364.559 3.057 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802212 502989170 /nfs/dbraw/zinc/98/91/70/502989170.db2.gz NXZGUTGGUPTDTC-OAHLLOKOSA-N 1 3 371.978 3.209 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802212 502989175 /nfs/dbraw/zinc/98/91/75/502989175.db2.gz NXZGUTGGUPTDTC-OAHLLOKOSA-N 1 3 371.978 3.209 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566396 502989940 /nfs/dbraw/zinc/98/99/40/502989940.db2.gz RRKZEYNWRDWOJQ-FQEVSTJZSA-N 1 3 364.578 3.205 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000501615327 503049891 /nfs/dbraw/zinc/04/98/91/503049891.db2.gz LVNYLFBNVBOVED-NRFANRHFSA-N 1 3 372.557 3.267 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000513932033 503051425 /nfs/dbraw/zinc/05/14/25/503051425.db2.gz QVWANVPAMPZXFE-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC000513932033 503051430 /nfs/dbraw/zinc/05/14/30/503051430.db2.gz QVWANVPAMPZXFE-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197523 503110771 /nfs/dbraw/zinc/11/07/71/503110771.db2.gz ORFSNDJFSIKGQF-UYAOXDASSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000514244797 503124132 /nfs/dbraw/zinc/12/41/32/503124132.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000514244797 503124137 /nfs/dbraw/zinc/12/41/37/503124137.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 1 3 372.557 3.384 20 0 FGADHO CN(c1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000510486686 503124604 /nfs/dbraw/zinc/12/46/04/503124604.db2.gz BKOCPRWPUFJDGK-JOCHJYFZSA-N 1 3 370.585 3.277 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000506876699 503188074 /nfs/dbraw/zinc/18/80/74/503188074.db2.gz RTFNSMSLYGMAJV-UHFFFAOYSA-N 1 3 373.585 3.189 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnnn2Cc2ccccc2)C1 ZINC000490553494 503194272 /nfs/dbraw/zinc/19/42/72/503194272.db2.gz BHUZMLAHBDAYFQ-OALUTQOASA-N 1 3 355.530 3.174 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000511019776 503236560 /nfs/dbraw/zinc/23/65/60/503236560.db2.gz WBPXJCNVRBWDDQ-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000511019776 503236564 /nfs/dbraw/zinc/23/65/64/503236564.db2.gz WBPXJCNVRBWDDQ-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc2C1 ZINC000493145033 503409661 /nfs/dbraw/zinc/40/96/61/503409661.db2.gz FOKQVKBWKYSAAK-QFIPXVFZSA-N 1 3 355.526 3.477 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503686490 503459299 /nfs/dbraw/zinc/45/92/99/503459299.db2.gz AVXGGCVFUCYQAK-SFHVURJKSA-N 1 3 360.546 3.242 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000493939658 503462306 /nfs/dbraw/zinc/46/23/06/503462306.db2.gz FSVUYJAQDRWQBR-HOJAQTOUSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000503739810 503467888 /nfs/dbraw/zinc/46/78/88/503467888.db2.gz TXZYBVXRFRHHLI-KRWDZBQOSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182628 503479164 /nfs/dbraw/zinc/47/91/64/503479164.db2.gz FLJJRJJQOIAFOQ-DYESRHJHSA-N 1 3 355.526 3.203 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582080 503542475 /nfs/dbraw/zinc/54/24/75/503542475.db2.gz QRWFNDIBVGGVRM-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416603 503543869 /nfs/dbraw/zinc/54/38/69/503543869.db2.gz ANHZPRKFLAZTNC-PZJWPPBQSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416603 503543873 /nfs/dbraw/zinc/54/38/73/503543873.db2.gz ANHZPRKFLAZTNC-PZJWPPBQSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508699860 503546335 /nfs/dbraw/zinc/54/63/35/503546335.db2.gz SBFQBXURBNAMSH-FQOCKNPQSA-N 1 3 373.585 3.376 20 0 FGADHO CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508702259 503546737 /nfs/dbraw/zinc/54/67/37/503546737.db2.gz VZWYJLQFLBFPFO-MDNUFGMLSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702259 503546743 /nfs/dbraw/zinc/54/67/43/503546743.db2.gz VZWYJLQFLBFPFO-MDNUFGMLSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702259 503546745 /nfs/dbraw/zinc/54/67/45/503546745.db2.gz VZWYJLQFLBFPFO-MDNUFGMLSA-N 1 3 373.585 3.234 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000508849433 503577027 /nfs/dbraw/zinc/57/70/27/503577027.db2.gz BTTUVBLZRJOGQG-KVPLUYHFSA-N 1 3 360.546 3.192 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000508849433 503577030 /nfs/dbraw/zinc/57/70/30/503577030.db2.gz BTTUVBLZRJOGQG-KVPLUYHFSA-N 1 3 360.546 3.192 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578763 503589081 /nfs/dbraw/zinc/58/90/81/503589081.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578763 503589082 /nfs/dbraw/zinc/58/90/82/503589082.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000508894025 503592062 /nfs/dbraw/zinc/59/20/62/503592062.db2.gz JYNITIOQJZIKCQ-UYAOXDASSA-N 1 3 362.562 3.438 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508905449 503596079 /nfs/dbraw/zinc/59/60/79/503596079.db2.gz KXSAPUOXNAFUGD-AZUAARDMSA-N 1 3 360.546 3.195 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627103 503598383 /nfs/dbraw/zinc/59/83/83/503598383.db2.gz ZYZGYGBMCSTVBA-HBMCJLEFSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627103 503598386 /nfs/dbraw/zinc/59/83/86/503598386.db2.gz ZYZGYGBMCSTVBA-HBMCJLEFSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627103 503598387 /nfs/dbraw/zinc/59/83/87/503598387.db2.gz ZYZGYGBMCSTVBA-HBMCJLEFSA-N 1 3 350.510 3.384 20 0 FGADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000512640992 503601777 /nfs/dbraw/zinc/60/17/77/503601777.db2.gz CEDDINIBMKUAIA-BQJUDKOJSA-N 1 3 350.510 3.157 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667858 503608198 /nfs/dbraw/zinc/60/81/98/503608198.db2.gz RJCMBVPKVKZKLG-SVFBPWRDSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667858 503608201 /nfs/dbraw/zinc/60/82/01/503608201.db2.gz RJCMBVPKVKZKLG-SVFBPWRDSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512667858 503608205 /nfs/dbraw/zinc/60/82/05/503608205.db2.gz RJCMBVPKVKZKLG-SVFBPWRDSA-N 1 3 369.484 3.490 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927836 503621760 /nfs/dbraw/zinc/62/17/60/503621760.db2.gz HSNJMWSQDPSYMJ-WTOYTKOKSA-N 1 3 369.553 3.064 20 0 FGADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000517029042 503647333 /nfs/dbraw/zinc/64/73/33/503647333.db2.gz WJWLAVOCDSEUBW-OAQYLSRUSA-N 1 3 370.541 3.051 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671866 /nfs/dbraw/zinc/67/18/66/503671866.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 1 3 357.523 3.109 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671873 /nfs/dbraw/zinc/67/18/73/503671873.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 1 3 357.523 3.109 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122871 503675659 /nfs/dbraw/zinc/67/56/59/503675659.db2.gz TVWFJJOFKDFMLT-UYAOXDASSA-N 1 3 357.542 3.450 20 0 FGADHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090558 503728140 /nfs/dbraw/zinc/72/81/40/503728140.db2.gz HOTFEUHVHHOGRF-MSOLQXFVSA-N 1 3 371.525 3.305 20 0 FGADHO C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(OCCN(C)C)cc1 ZINC000536832025 503735282 /nfs/dbraw/zinc/73/52/82/503735282.db2.gz IJKOIGOLYARHEV-MRXNPFEDSA-N 1 3 352.482 3.397 20 0 FGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000536846549 503737947 /nfs/dbraw/zinc/73/79/47/503737947.db2.gz PORUJNRALZZJIR-QHAWAJNXSA-N 1 3 358.526 3.485 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000543394337 503751418 /nfs/dbraw/zinc/75/14/18/503751418.db2.gz IRXQUERYJMJXMB-CALCHBBNSA-N 1 3 374.554 3.255 20 0 FGADHO CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026344 503800712 /nfs/dbraw/zinc/80/07/12/503800712.db2.gz IMVASQGUMOQHQC-NRFANRHFSA-N 1 3 369.553 3.422 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194837 503835856 /nfs/dbraw/zinc/83/58/56/503835856.db2.gz LBBTZHRRCPBFMO-NHCUHLMSSA-N 1 3 357.542 3.485 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194837 503835862 /nfs/dbraw/zinc/83/58/62/503835862.db2.gz LBBTZHRRCPBFMO-NHCUHLMSSA-N 1 3 357.542 3.485 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CCN(C)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713760 503863286 /nfs/dbraw/zinc/86/32/86/503863286.db2.gz UTBKTEZWQLGFAU-ICSRJNTNSA-N 1 3 366.509 3.077 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CCN(C)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000543713760 503863290 /nfs/dbraw/zinc/86/32/90/503863290.db2.gz UTBKTEZWQLGFAU-ICSRJNTNSA-N 1 3 366.509 3.077 20 0 FGADHO CC(C)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345395 503884613 /nfs/dbraw/zinc/88/46/13/503884613.db2.gz ZGOQDZUJNKUXDR-PXNSSMCTSA-N 1 3 357.498 3.307 20 0 FGADHO c1ccc(Oc2cccnc2)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239320 503888216 /nfs/dbraw/zinc/88/82/16/503888216.db2.gz FEGLXEGIJRYAKX-FQEVSTJZSA-N 1 3 367.493 3.464 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336531 503929666 /nfs/dbraw/zinc/92/96/66/503929666.db2.gz CVSFWOKMVFJKPB-YOEHRIQHSA-N 1 3 368.905 3.295 20 0 FGADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1C ZINC000544001740 503967078 /nfs/dbraw/zinc/96/70/78/503967078.db2.gz DRGVWPZJRRIBHZ-UHFFFAOYSA-N 1 3 363.933 3.245 20 0 FGADHO CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620236 503979039 /nfs/dbraw/zinc/97/90/39/503979039.db2.gz SNQDTLVGQVMWCX-KNQAVFIVSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000537620236 503979041 /nfs/dbraw/zinc/97/90/41/503979041.db2.gz SNQDTLVGQVMWCX-KNQAVFIVSA-N 1 3 359.558 3.323 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC34CCCCC4)CC2)CC1 ZINC000533985582 504009241 /nfs/dbraw/zinc/00/92/41/504009241.db2.gz VUXSMJATWLLWER-UHFFFAOYSA-N 1 3 362.562 3.053 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297792 504077446 /nfs/dbraw/zinc/07/74/46/504077446.db2.gz CQMQLAFQDRWQBH-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769843 504082597 /nfs/dbraw/zinc/08/25/97/504082597.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000530769843 504082600 /nfs/dbraw/zinc/08/26/00/504082600.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937259 504088685 /nfs/dbraw/zinc/08/86/85/504088685.db2.gz DBQWDEVDCPUUPV-XUJVJEKNSA-N 1 3 369.303 3.039 20 0 FGADHO CC(C)[C@@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000544622171 504194944 /nfs/dbraw/zinc/19/49/44/504194944.db2.gz RVZAEAHCJFHYIJ-UYAOXDASSA-N 1 3 366.594 3.115 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443229 504221588 /nfs/dbraw/zinc/22/15/88/504221588.db2.gz IAZFRTLVBWJQET-YZGWKJHDSA-N 1 3 350.547 3.347 20 0 FGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406627 504237728 /nfs/dbraw/zinc/23/77/28/504237728.db2.gz MVKSZXRODCAMEC-MRXNPFEDSA-N 1 3 362.539 3.315 20 0 FGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406627 504237735 /nfs/dbraw/zinc/23/77/35/504237735.db2.gz MVKSZXRODCAMEC-MRXNPFEDSA-N 1 3 362.539 3.315 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000531246351 504241673 /nfs/dbraw/zinc/24/16/73/504241673.db2.gz QBXPCVGZZPYFAB-OALUTQOASA-N 1 3 360.546 3.023 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1C ZINC000538773395 504364727 /nfs/dbraw/zinc/36/47/27/504364727.db2.gz MSBVVJQCPCJMGM-HXUWFJFHSA-N 1 3 360.546 3.437 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000538773395 504364730 /nfs/dbraw/zinc/36/47/30/504364730.db2.gz MSBVVJQCPCJMGM-HXUWFJFHSA-N 1 3 360.546 3.437 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141776 504379029 /nfs/dbraw/zinc/37/90/29/504379029.db2.gz SYIRDCNZZGCPJJ-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141776 504379031 /nfs/dbraw/zinc/37/90/31/504379031.db2.gz SYIRDCNZZGCPJJ-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141776 504379034 /nfs/dbraw/zinc/37/90/34/504379034.db2.gz SYIRDCNZZGCPJJ-AWEZNQCLSA-N 1 3 370.335 3.486 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000542185189 504396753 /nfs/dbraw/zinc/39/67/53/504396753.db2.gz IQFXQFVTRBOXCU-BWKHYTDRSA-N 1 3 369.553 3.230 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000542185189 504396759 /nfs/dbraw/zinc/39/67/59/504396759.db2.gz IQFXQFVTRBOXCU-BWKHYTDRSA-N 1 3 369.553 3.230 20 0 FGADHO C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050360 504458005 /nfs/dbraw/zinc/45/80/05/504458005.db2.gz IKEQGOUJXVPCMV-VGSWGCGISA-N 1 3 353.510 3.464 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624253 504488465 /nfs/dbraw/zinc/48/84/65/504488465.db2.gz LQAJWKDZEDOLDQ-CTNGQTDRSA-N 1 3 357.542 3.364 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624253 504488467 /nfs/dbraw/zinc/48/84/67/504488467.db2.gz LQAJWKDZEDOLDQ-CTNGQTDRSA-N 1 3 357.542 3.364 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000542504645 504516375 /nfs/dbraw/zinc/51/63/75/504516375.db2.gz XTTFPCJQQSKUCB-QGZVFWFLSA-N 1 3 372.557 3.324 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000520772948 504578101 /nfs/dbraw/zinc/57/81/01/504578101.db2.gz MVKWJJXOSDPQTH-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO CN(CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786723 504610679 /nfs/dbraw/zinc/61/06/79/504610679.db2.gz PZXOXJYLFLRHLO-OXJNMPFZSA-N 1 3 372.538 3.169 20 0 FGADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000520996626 504625678 /nfs/dbraw/zinc/62/56/78/504625678.db2.gz DTUJRRCSUYCAOD-SJBKTWHCSA-N 1 3 355.526 3.052 20 0 FGADHO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(OCCN(C)C)cc1 ZINC000532476495 504664068 /nfs/dbraw/zinc/66/40/68/504664068.db2.gz GYHGTTPSPPKKJK-QGZVFWFLSA-N 1 3 352.482 3.328 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000536307342 504692840 /nfs/dbraw/zinc/69/28/40/504692840.db2.gz IKJZTFDFVYPRCJ-CEWLAPEOSA-N 1 3 358.526 3.454 20 0 FGADHO Cc1ncsc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539822509 504704461 /nfs/dbraw/zinc/70/44/61/504704461.db2.gz HCFPQVSDQKWUDE-UHFFFAOYSA-N 1 3 350.576 3.080 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529535594 504719874 /nfs/dbraw/zinc/71/98/74/504719874.db2.gz YNESJEQGSIREPI-MRXNPFEDSA-N 1 3 351.485 3.348 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000521380926 504724437 /nfs/dbraw/zinc/72/44/37/504724437.db2.gz MQJOFHITWCKCCV-MOPGFXCFSA-N 1 3 359.558 3.176 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509781 504750287 /nfs/dbraw/zinc/75/02/87/504750287.db2.gz ZZWGXIPUNYDZFO-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2sc(Br)cc21 ZINC000556103441 504796524 /nfs/dbraw/zinc/79/65/24/504796524.db2.gz CEQNGSAQHMVKJD-WCQYABFASA-N 1 3 361.349 3.444 20 0 FGADHO CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000549419902 504817215 /nfs/dbraw/zinc/81/72/15/504817215.db2.gz GBMLAKNOHDDVAI-FCHUYYIVSA-N 1 3 369.553 3.027 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)CC1 ZINC000565176593 504817653 /nfs/dbraw/zinc/81/76/53/504817653.db2.gz GSUAJQNXWGYWNE-JREAUHRESA-N 1 3 373.585 3.220 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4cc(C)ccc43)CC2)CC1 ZINC000565179163 504818196 /nfs/dbraw/zinc/81/81/96/504818196.db2.gz GZGGYVKERVAWID-JOCHJYFZSA-N 1 3 369.553 3.295 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234067 504824713 /nfs/dbraw/zinc/82/47/13/504824713.db2.gz ULBDCTFLYCSEFW-MAUKXSAKSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234067 504824715 /nfs/dbraw/zinc/82/47/15/504824715.db2.gz ULBDCTFLYCSEFW-MAUKXSAKSA-N 1 3 373.463 3.370 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225820 504830324 /nfs/dbraw/zinc/83/03/24/504830324.db2.gz GNRLOZSPAKLFKP-SJLPKXTDSA-N 1 3 366.347 3.273 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000562615098 504880308 /nfs/dbraw/zinc/88/03/08/504880308.db2.gz CZXZZHAKPBHPHH-VQTJNVASSA-N 1 3 370.541 3.219 20 0 FGADHO Clc1ccc([C@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476558 504899365 /nfs/dbraw/zinc/89/93/65/504899365.db2.gz RPBXOQSEFDQPLJ-SJORKVTESA-N 1 3 359.905 3.351 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000562750314 504932577 /nfs/dbraw/zinc/93/25/77/504932577.db2.gz GNTIUXVSYOCFAR-LEWJYISDSA-N 1 3 372.488 3.038 20 0 FGADHO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000556864179 504999663 /nfs/dbraw/zinc/99/96/63/504999663.db2.gz CNUGWFUTFCUDIA-MDNUFGMLSA-N 1 3 369.553 3.278 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000556932257 505021561 /nfs/dbraw/zinc/02/15/61/505021561.db2.gz LUHFDNQQTOHWSV-YLJYHZDGSA-N 1 3 374.529 3.013 20 0 FGADHO Cc1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000563082774 505041720 /nfs/dbraw/zinc/04/17/20/505041720.db2.gz ODZFGNINHXSCPZ-IEBWSBKVSA-N 1 3 359.514 3.316 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CNCc2ccc(C[NH+](C)C)cc2)c1C ZINC000560392949 505070012 /nfs/dbraw/zinc/07/00/12/505070012.db2.gz IIFVWDYKKISVRZ-NRFANRHFSA-N 1 3 356.510 3.203 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163457 505101669 /nfs/dbraw/zinc/10/16/69/505101669.db2.gz GMWYXZVPTCGMNJ-IAOVAPTHSA-N 1 3 371.447 3.203 20 0 FGADHO O=C1C[C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000557274390 505102818 /nfs/dbraw/zinc/10/28/18/505102818.db2.gz UMYBKNCJTVAISQ-IBGZPJMESA-N 1 3 355.526 3.032 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000554192598 505113064 /nfs/dbraw/zinc/11/30/64/505113064.db2.gz ZYFJOVPEAAUPPT-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209646 505113072 /nfs/dbraw/zinc/11/30/72/505113072.db2.gz UUBSEIWAEICJRN-IEBWSBKVSA-N 1 3 373.516 3.028 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000554192598 505113067 /nfs/dbraw/zinc/11/30/67/505113067.db2.gz ZYFJOVPEAAUPPT-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352337 505117935 /nfs/dbraw/zinc/11/79/35/505117935.db2.gz CBPZEKFOZXLEOC-GJZGRUSLSA-N 1 3 350.890 3.083 20 0 FGADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352337 505117941 /nfs/dbraw/zinc/11/79/41/505117941.db2.gz CBPZEKFOZXLEOC-GJZGRUSLSA-N 1 3 350.890 3.083 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@@H](C(C)C)C2)CC1 ZINC000560639875 505151806 /nfs/dbraw/zinc/15/18/06/505151806.db2.gz SCOVGCDRPSVANJ-JOCHJYFZSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](C(C)C)C2)CC1 ZINC000560639875 505151809 /nfs/dbraw/zinc/15/18/09/505151809.db2.gz SCOVGCDRPSVANJ-JOCHJYFZSA-N 1 3 359.558 3.466 20 0 FGADHO N[C@H]1CCC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483719 505187081 /nfs/dbraw/zinc/18/70/81/505187081.db2.gz WKRKSBRLYRTPKA-NWDGAFQWSA-N 1 3 351.800 3.382 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483719 505187084 /nfs/dbraw/zinc/18/70/84/505187084.db2.gz WKRKSBRLYRTPKA-NWDGAFQWSA-N 1 3 351.800 3.382 20 0 FGADHO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265433 505188239 /nfs/dbraw/zinc/18/82/39/505188239.db2.gz VKWODOHPQOZXKD-UXHICEINSA-N 1 3 358.526 3.072 20 0 FGADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641494 505191018 /nfs/dbraw/zinc/19/10/18/505191018.db2.gz TYUZBFXQRLALAN-IFMALSPDSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641494 505191020 /nfs/dbraw/zinc/19/10/20/505191020.db2.gz TYUZBFXQRLALAN-IFMALSPDSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000554550052 505205198 /nfs/dbraw/zinc/20/51/98/505205198.db2.gz ATFMPNFADVHJFT-TZIWHRDSSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000554550052 505205200 /nfs/dbraw/zinc/20/52/00/505205200.db2.gz ATFMPNFADVHJFT-TZIWHRDSSA-N 1 3 374.573 3.129 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667928 505205329 /nfs/dbraw/zinc/20/53/29/505205329.db2.gz XPUVHELGCLNZPH-SJLPKXTDSA-N 1 3 355.482 3.017 20 0 FGADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000560917113 505211237 /nfs/dbraw/zinc/21/12/37/505211237.db2.gz FDBUTPWMBHPYDC-HLRQEUIKSA-N 1 3 358.526 3.122 20 0 FGADHO COc1ncc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529068 505244986 /nfs/dbraw/zinc/24/49/86/505244986.db2.gz AOQQDHOEPMTZNX-ZNMIVQPWSA-N 1 3 355.910 3.284 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000554735580 505252258 /nfs/dbraw/zinc/25/22/58/505252258.db2.gz UHMZTQNZILJYNC-NRFANRHFSA-N 1 3 354.542 3.471 20 0 FGADHO CCc1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000561144807 505262658 /nfs/dbraw/zinc/26/26/58/505262658.db2.gz MYNWUGDOWVLSNR-UHFFFAOYSA-N 1 3 363.571 3.123 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000551592509 505262904 /nfs/dbraw/zinc/26/29/04/505262904.db2.gz QMUYLZOMIHVISV-CABCVRRESA-N 1 3 358.267 3.254 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797103 505274610 /nfs/dbraw/zinc/27/46/10/505274610.db2.gz VUXPNEJCZMGGNO-DFQSSKMNSA-N 1 3 365.521 3.339 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)[C@@H]1c1cccs1 ZINC000563955553 505287894 /nfs/dbraw/zinc/28/78/94/505287894.db2.gz KURLHIJFSBSCJB-IMFGXOCKSA-N 1 3 369.534 3.134 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)[C@@H]1c1cccs1 ZINC000563955553 505287900 /nfs/dbraw/zinc/28/79/00/505287900.db2.gz KURLHIJFSBSCJB-IMFGXOCKSA-N 1 3 369.534 3.134 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022172 505288317 /nfs/dbraw/zinc/28/83/17/505288317.db2.gz HWVJMFVFITYAQO-CNNODRBYSA-N 1 3 369.553 3.087 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915668 505298731 /nfs/dbraw/zinc/29/87/31/505298731.db2.gz XSABMPNPIXLWCT-KDURUIRLSA-N 1 3 370.541 3.375 20 0 FGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000551789402 505307637 /nfs/dbraw/zinc/30/76/37/505307637.db2.gz PVJSQTUZBMZCPQ-MAODMQOUSA-N 1 3 369.509 3.312 20 0 FGADHO C[C@@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H](c2ccccc2)C1 ZINC000566968292 505326174 /nfs/dbraw/zinc/32/61/74/505326174.db2.gz MPPVMWMAJVZXNX-SNRMKQJTSA-N 1 3 353.514 3.334 20 0 FGADHO C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000552025896 505373515 /nfs/dbraw/zinc/37/35/15/505373515.db2.gz PICFDUIWWZQAAN-KYHPRHEASA-N 1 3 365.949 3.363 20 0 FGADHO C[C@@H](NC1(CO)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147510 505376871 /nfs/dbraw/zinc/37/68/71/505376871.db2.gz PHOHSQCRIHRYOO-GCJKJVERSA-N 1 3 350.506 3.017 20 0 FGADHO C[C@@H](NC1(CO)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147510 505376875 /nfs/dbraw/zinc/37/68/75/505376875.db2.gz PHOHSQCRIHRYOO-GCJKJVERSA-N 1 3 350.506 3.017 20 0 FGADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552047641 505381409 /nfs/dbraw/zinc/38/14/09/505381409.db2.gz TWXVVTVUEWKMHB-JOZSIVFUSA-N 1 3 362.583 3.379 20 0 FGADHO CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065485 505388036 /nfs/dbraw/zinc/38/80/36/505388036.db2.gz BKUQJLUPQXRJPI-MBDNFAEBSA-N 1 3 358.526 3.072 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000555417652 505428048 /nfs/dbraw/zinc/42/80/48/505428048.db2.gz FXEAPPGVDHCZOO-XMSQKQJNSA-N 1 3 358.574 3.225 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000555417652 505428050 /nfs/dbraw/zinc/42/80/50/505428050.db2.gz FXEAPPGVDHCZOO-XMSQKQJNSA-N 1 3 358.574 3.225 20 0 FGADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552245004 505439300 /nfs/dbraw/zinc/43/93/00/505439300.db2.gz QBDLODSKGPQEED-MBDNFAEBSA-N 1 3 360.542 3.054 20 0 FGADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642336 505522375 /nfs/dbraw/zinc/52/23/75/505522375.db2.gz JMFLHGGZWFLHSY-RBUKOAKNSA-N 1 3 366.461 3.198 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000564938732 505562025 /nfs/dbraw/zinc/56/20/25/505562025.db2.gz SHCXGVQJODUBHH-DBXWQHBBSA-N 1 3 372.557 3.012 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608691525 506667658 /nfs/dbraw/zinc/66/76/58/506667658.db2.gz DTBSWKCIDJQGKZ-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608691525 506667664 /nfs/dbraw/zinc/66/76/64/506667664.db2.gz DTBSWKCIDJQGKZ-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CCc1ccc([C@@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000589947523 506685778 /nfs/dbraw/zinc/68/57/78/506685778.db2.gz KMJHRDQACDBTIE-NQIIRXRSSA-N 1 3 359.558 3.227 20 0 FGADHO CCc1ccc([C@@H](C)C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000589947523 506685782 /nfs/dbraw/zinc/68/57/82/506685782.db2.gz KMJHRDQACDBTIE-NQIIRXRSSA-N 1 3 359.558 3.227 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604107053 506715513 /nfs/dbraw/zinc/71/55/13/506715513.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000604107053 506715528 /nfs/dbraw/zinc/71/55/28/506715528.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000604171465 506734677 /nfs/dbraw/zinc/73/46/77/506734677.db2.gz NUINIBVQJFKXDR-PMACEKPBSA-N 1 3 374.573 3.331 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000604171465 506734685 /nfs/dbraw/zinc/73/46/85/506734685.db2.gz NUINIBVQJFKXDR-PMACEKPBSA-N 1 3 374.573 3.331 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171435 506734836 /nfs/dbraw/zinc/73/48/36/506734836.db2.gz KWQFAVUUQZGZJW-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171435 506734841 /nfs/dbraw/zinc/73/48/41/506734841.db2.gz KWQFAVUUQZGZJW-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604203714 506750343 /nfs/dbraw/zinc/75/03/43/506750343.db2.gz BQWBGQOHJRBOKA-NHCUHLMSSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583939 506862127 /nfs/dbraw/zinc/86/21/27/506862127.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000583583939 506862136 /nfs/dbraw/zinc/86/21/36/506862136.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)sc1Br ZINC000583720437 506933151 /nfs/dbraw/zinc/93/31/51/506933151.db2.gz JAZXEBYMVCSOFT-UHFFFAOYSA-N 1 3 374.392 3.277 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112755 /nfs/dbraw/zinc/11/27/55/507112755.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112758 /nfs/dbraw/zinc/11/27/58/507112758.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000591175703 507143815 /nfs/dbraw/zinc/14/38/15/507143815.db2.gz AQRGMWQTIRXWDU-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000600854956 507148275 /nfs/dbraw/zinc/14/82/75/507148275.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000600854956 507148281 /nfs/dbraw/zinc/14/82/81/507148281.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 1 3 374.573 3.461 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859700 507150822 /nfs/dbraw/zinc/15/08/22/507150822.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859700 507150825 /nfs/dbraw/zinc/15/08/25/507150825.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000605423052 507187706 /nfs/dbraw/zinc/18/77/06/507187706.db2.gz SSNJGQJAFPKLQP-UHFFFAOYSA-N 1 3 372.944 3.348 20 0 FGADHO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000584248284 507235302 /nfs/dbraw/zinc/23/53/02/507235302.db2.gz JLAHXQPSYQONKD-UZLBHIALSA-N 1 3 360.473 3.020 20 0 FGADHO CCN1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591425821 507246059 /nfs/dbraw/zinc/24/60/59/507246059.db2.gz XLOFKMAERXSNTQ-GOSISDBHSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591425821 507246061 /nfs/dbraw/zinc/24/60/61/507246061.db2.gz XLOFKMAERXSNTQ-GOSISDBHSA-N 1 3 373.541 3.154 20 0 FGADHO COC(=O)COc1c(C)cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C ZINC000594735654 507261607 /nfs/dbraw/zinc/26/16/07/507261607.db2.gz MFHAYYRBCHOTAQ-HXUWFJFHSA-N 1 3 374.525 3.067 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000584323906 507278526 /nfs/dbraw/zinc/27/85/26/507278526.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000584323906 507278536 /nfs/dbraw/zinc/27/85/36/507278536.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000601236539 507306121 /nfs/dbraw/zinc/30/61/21/507306121.db2.gz GWBNBWJRXQLOCK-OAQYLSRUSA-N 1 3 372.557 3.131 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccsc1 ZINC000601243241 507309192 /nfs/dbraw/zinc/30/91/92/507309192.db2.gz SPXPRTYONTYLJL-ROUUACIJSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024502 507358558 /nfs/dbraw/zinc/35/85/58/507358558.db2.gz GSFJYYXXUBXYRX-XFJVYGCCSA-N 1 3 370.278 3.351 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024502 507358560 /nfs/dbraw/zinc/35/85/60/507358560.db2.gz GSFJYYXXUBXYRX-XFJVYGCCSA-N 1 3 370.278 3.351 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000584470725 507362579 /nfs/dbraw/zinc/36/25/79/507362579.db2.gz GVUZZMVUVPZIMZ-HXUWFJFHSA-N 1 3 373.541 3.248 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623192 507455206 /nfs/dbraw/zinc/45/52/06/507455206.db2.gz BSIRMGFTECPCIH-YLJYHZDGSA-N 1 3 360.546 3.099 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000606623189 507456142 /nfs/dbraw/zinc/45/61/42/507456142.db2.gz BSIRMGFTECPCIH-FXAWDEMLSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106092 507763761 /nfs/dbraw/zinc/76/37/61/507763761.db2.gz DGQUEMOEZRKFPD-QGZVFWFLSA-N 1 3 353.457 3.112 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106092 507763762 /nfs/dbraw/zinc/76/37/62/507763762.db2.gz DGQUEMOEZRKFPD-QGZVFWFLSA-N 1 3 353.457 3.112 20 0 FGADHO Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000822741507 607479821 /nfs/dbraw/zinc/47/98/21/607479821.db2.gz YBMMMMAVSKCWNE-UHFFFAOYSA-N 1 3 360.481 3.142 20 0 FGADHO Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000822741507 607479823 /nfs/dbraw/zinc/47/98/23/607479823.db2.gz YBMMMMAVSKCWNE-UHFFFAOYSA-N 1 3 360.481 3.142 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824936084 608742114 /nfs/dbraw/zinc/74/21/14/608742114.db2.gz DSESQOJNTWLSKH-HNNXBMFYSA-N 1 3 374.558 3.405 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824936084 608742116 /nfs/dbraw/zinc/74/21/16/608742116.db2.gz DSESQOJNTWLSKH-HNNXBMFYSA-N 1 3 374.558 3.405 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000824249350 609147357 /nfs/dbraw/zinc/14/73/57/609147357.db2.gz MHIXQUGIRWYEFV-HNNXBMFYSA-N 1 3 374.508 3.415 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000824249350 609147359 /nfs/dbraw/zinc/14/73/59/609147359.db2.gz MHIXQUGIRWYEFV-HNNXBMFYSA-N 1 3 374.508 3.415 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000151104349 704912434 /nfs/dbraw/zinc/91/24/34/704912434.db2.gz NHYNHKBRMNQTAV-GOSISDBHSA-N 1 3 365.612 3.157 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1CN1CCCCC1 ZINC000183069541 705875851 /nfs/dbraw/zinc/87/58/51/705875851.db2.gz ZKFXAQUXLSLJOI-OXJNMPFZSA-N 1 3 364.555 3.200 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905437 713613533 /nfs/dbraw/zinc/61/35/33/713613533.db2.gz FETORUJUQIYBKW-SQNIBIBYSA-N 1 3 353.551 3.391 20 0 FGADHO CN(Cc1ccccc1C[NH2+]C1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000291280603 713770967 /nfs/dbraw/zinc/77/09/67/713770967.db2.gz YTKPMTNHPPNKPG-UHFFFAOYSA-N 1 3 364.555 3.118 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000385405794 713983074 /nfs/dbraw/zinc/98/30/74/713983074.db2.gz AEQMXHISTGOOJN-ZJPYXAASSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000385405794 713983076 /nfs/dbraw/zinc/98/30/76/713983076.db2.gz AEQMXHISTGOOJN-ZJPYXAASSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@H](N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372961 714457560 /nfs/dbraw/zinc/45/75/60/714457560.db2.gz MQKJVSBCLXZURR-QILLFSRXSA-N 1 3 355.448 3.257 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)CC2)cs1 ZINC000623414155 715330753 /nfs/dbraw/zinc/33/07/53/715330753.db2.gz VTVFQXLJGXOFAX-QGZVFWFLSA-N 1 3 364.603 3.380 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000623424955 715333868 /nfs/dbraw/zinc/33/38/68/715333868.db2.gz LZQGFEHMGVMMLF-STQMWFEESA-N 1 3 361.349 3.490 20 0 FGADHO CN(C)CCCS(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000631701095 716664358 /nfs/dbraw/zinc/66/43/58/716664358.db2.gz HBEFHMDKTQACGR-UHFFFAOYSA-N 1 3 367.559 3.145 20 0 FGADHO CN(C)CCCS(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000631701095 716664365 /nfs/dbraw/zinc/66/43/65/716664365.db2.gz HBEFHMDKTQACGR-UHFFFAOYSA-N 1 3 367.559 3.145 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013837 717139978 /nfs/dbraw/zinc/13/99/78/717139978.db2.gz WQVKEXKBXBSAAH-JFIYKMOQSA-N 1 3 352.544 3.094 20 0 FGADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000639292936 717541548 /nfs/dbraw/zinc/54/15/48/717541548.db2.gz CDKJOHNGGBPKDG-QGZVFWFLSA-N 1 3 350.478 3.253 20 0 FGADHO Cc1cc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000640646939 717775092 /nfs/dbraw/zinc/77/50/92/717775092.db2.gz HKKFXMHYHMYDSW-UHFFFAOYSA-N 1 3 350.532 3.128 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583856 718128574 /nfs/dbraw/zinc/12/85/74/718128574.db2.gz ZIAQIMLUHZQALW-RBSFLKMASA-N 1 3 361.313 3.196 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000645159433 718188210 /nfs/dbraw/zinc/18/82/10/718188210.db2.gz ALONTSRWORKSLT-ROUUACIJSA-N 1 3 366.575 3.257 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000645159433 718188213 /nfs/dbraw/zinc/18/82/13/718188213.db2.gz ALONTSRWORKSLT-ROUUACIJSA-N 1 3 366.575 3.257 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3c(F)cccc3Cl)CC2)CC1 ZINC000646347726 718279990 /nfs/dbraw/zinc/27/99/90/718279990.db2.gz FOQVUCNBRDJNSF-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000648137276 718401005 /nfs/dbraw/zinc/40/10/05/718401005.db2.gz GWTMOQFWCALKTL-UHFFFAOYSA-N 1 3 359.436 3.113 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC000650705469 718716805 /nfs/dbraw/zinc/71/68/05/718716805.db2.gz ICAHVLJCADIVBY-OIISXLGYSA-N 1 3 353.304 3.167 20 0 FGADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000651206931 718782731 /nfs/dbraw/zinc/78/27/31/718782731.db2.gz BTIZKITYTGTBRQ-HNNXBMFYSA-N 1 3 363.933 3.118 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349448 718935325 /nfs/dbraw/zinc/93/53/25/718935325.db2.gz OYGLSVIDZIOCFS-DDUZABMNSA-N 1 3 356.869 3.076 20 0 FGADHO Cc1c(Br)cccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350384 718935399 /nfs/dbraw/zinc/93/53/99/718935399.db2.gz WJFFIPBUXLUOPV-XYJFISCASA-N 1 3 367.331 3.476 20 0 FGADHO OC1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971449 /nfs/dbraw/zinc/97/14/49/719971449.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 1 3 360.567 3.231 20 0 FGADHO OC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971452 /nfs/dbraw/zinc/97/14/52/719971452.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 1 3 360.567 3.231 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094545 /nfs/dbraw/zinc/09/45/45/720094545.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 1 3 360.889 3.350 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094551 /nfs/dbraw/zinc/09/45/51/720094551.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 1 3 360.889 3.350 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857782 720991644 /nfs/dbraw/zinc/99/16/44/720991644.db2.gz JGIDMUVNKMQJTH-CHWSQXEVSA-N 1 3 359.392 3.034 20 0 FGADHO COc1ccc([C@@H](NCCOCC[NH+](C)C)C(C)C)c(Br)c1 ZINC000685654975 722397204 /nfs/dbraw/zinc/39/72/04/722397204.db2.gz RNAGDLCKDURGCI-KRWDZBQOSA-N 1 3 373.335 3.323 20 0 FGADHO CC(C)[C@@H](C)N1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496570 722435651 /nfs/dbraw/zinc/43/56/51/722435651.db2.gz ZIQYEICITHCGLR-OAHLLOKOSA-N 1 3 360.571 3.427 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798467 723541818 /nfs/dbraw/zinc/54/18/18/723541818.db2.gz SBRBOWCGLSKDOW-DZGCQCFKSA-N 1 3 371.497 3.239 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016225 723774592 /nfs/dbraw/zinc/77/45/92/723774592.db2.gz WNAVFVKURGLZPO-JLSDUUJJSA-N 1 3 372.912 3.239 20 0 FGADHO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000797981648 723894736 /nfs/dbraw/zinc/89/47/36/723894736.db2.gz SDEZEVVVBYUREZ-IAGOWNOFSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178338 723995273 /nfs/dbraw/zinc/99/52/73/723995273.db2.gz UHEQMLUDHFQOAW-INIZCTEOSA-N 1 3 363.933 3.325 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178911 723995585 /nfs/dbraw/zinc/99/55/85/723995585.db2.gz QRSAKSSPIVSJNV-INIZCTEOSA-N 1 3 363.933 3.153 20 0 FGADHO Cn1ncc(Br)c1CNCCCCCCC[NH+]1CCCC1 ZINC000785455300 724913729 /nfs/dbraw/zinc/91/37/29/724913729.db2.gz GJWKNLSEBPNFGY-UHFFFAOYSA-N 1 3 357.340 3.319 20 0 FGADHO CC(C)(C)OC(=O)NC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000809625493 725253347 /nfs/dbraw/zinc/25/33/47/725253347.db2.gz IDUDJVAUODHNBM-UHFFFAOYSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)NC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000809625493 725253348 /nfs/dbraw/zinc/25/33/48/725253348.db2.gz IDUDJVAUODHNBM-UHFFFAOYSA-N 1 3 351.535 3.429 20 0 FGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984966 727290640 /nfs/dbraw/zinc/29/06/40/727290640.db2.gz CZGWREFSBOZEET-YESZJQIVSA-N 1 3 351.535 3.429 20 0 FGADHO CC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984966 727290642 /nfs/dbraw/zinc/29/06/42/727290642.db2.gz CZGWREFSBOZEET-YESZJQIVSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@@H]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451640 729176487 /nfs/dbraw/zinc/17/64/87/729176487.db2.gz NMAUHSNACKHSJF-WBVHZDCISA-N 1 3 351.535 3.381 20 0 FGADHO C[C@@H]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451873 729176516 /nfs/dbraw/zinc/17/65/16/729176516.db2.gz RHZUYCRGODZUTL-CRAIPNDOSA-N 1 3 351.535 3.238 20 0 FGADHO C[NH+](C)CCOc1ccc(CCNCc2ccnc(Cl)c2F)cc1 ZINC000823807581 729306144 /nfs/dbraw/zinc/30/61/44/729306144.db2.gz DMIPYXITEGFWFG-UHFFFAOYSA-N 1 3 351.853 3.147 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574114 729431972 /nfs/dbraw/zinc/43/19/72/729431972.db2.gz YAZLRDCONWFZEG-XJKSGUPXSA-N 1 3 366.937 3.060 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574114 729431973 /nfs/dbraw/zinc/43/19/73/729431973.db2.gz YAZLRDCONWFZEG-XJKSGUPXSA-N 1 3 366.937 3.060 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCCCCCC[NH3+])c2cccs2)CC1 ZINC000831094921 729617271 /nfs/dbraw/zinc/61/72/71/729617271.db2.gz QWXOYGMVWRPPBT-KRWDZBQOSA-N 1 3 366.575 3.339 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566639 729815132 /nfs/dbraw/zinc/81/51/32/729815132.db2.gz PTLVZAFTUVTONT-OKZBNKHCSA-N 1 3 353.551 3.484 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363877 730610933 /nfs/dbraw/zinc/61/09/33/730610933.db2.gz HAWQMOGKNJKVSW-ZDUSSCGKSA-N 1 3 355.404 3.108 20 0 FGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)ccn1 ZINC000850516654 731367412 /nfs/dbraw/zinc/36/74/12/731367412.db2.gz IHXJMHZRGGTOBB-GUDVDZBRSA-N 1 3 363.596 3.263 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534302 731370136 /nfs/dbraw/zinc/37/01/36/731370136.db2.gz LJASAKXJZBJTKH-KANFNMMFSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534302 731370140 /nfs/dbraw/zinc/37/01/40/731370140.db2.gz LJASAKXJZBJTKH-KANFNMMFSA-N 1 3 350.453 3.301 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000880098083 737119110 /nfs/dbraw/zinc/11/91/10/737119110.db2.gz GUFYKOIEQZPQSQ-OAHLLOKOSA-N 1 3 358.452 3.167 20 0 FGADHO COc1cc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726204 743879442 /nfs/dbraw/zinc/87/94/42/743879442.db2.gz KPSZBMOJHQWYEQ-MRXNPFEDSA-N 1 3 350.528 3.008 20 0 FGADHO Fc1cccc(C2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1F ZINC000903763224 743881519 /nfs/dbraw/zinc/88/15/19/743881519.db2.gz ISTKHYDLMRLRKA-MRXNPFEDSA-N 1 3 350.453 3.303 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790657 743884396 /nfs/dbraw/zinc/88/43/96/743884396.db2.gz ULFLIFSJDLHKGG-DOTOQJQBSA-N 1 3 363.571 3.497 20 0 FGADHO CCOc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OCC(C)C ZINC000903955598 743904629 /nfs/dbraw/zinc/90/46/29/743904629.db2.gz WXWSQYPNYSRMHE-INIZCTEOSA-N 1 3 356.457 3.455 20 0 FGADHO CCOc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OCC(C)C ZINC000903955599 743904760 /nfs/dbraw/zinc/90/47/60/743904760.db2.gz WXWSQYPNYSRMHE-MRXNPFEDSA-N 1 3 356.457 3.455 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000940757148 762159913 /nfs/dbraw/zinc/15/99/13/762159913.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 1 3 363.571 3.195 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000940757148 762159915 /nfs/dbraw/zinc/15/99/15/762159915.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 1 3 363.571 3.195 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393605 758912523 /nfs/dbraw/zinc/91/25/23/758912523.db2.gz MLGTYMRYLFNWBA-VXIBKDFQSA-N 1 3 351.922 3.003 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393605 758912526 /nfs/dbraw/zinc/91/25/26/758912526.db2.gz MLGTYMRYLFNWBA-VXIBKDFQSA-N 1 3 351.922 3.003 20 0 FGADHO C[C@@H](C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)N1CCN(C)CC1 ZINC000924966350 759424596 /nfs/dbraw/zinc/42/45/96/759424596.db2.gz SMPONYHYKMHTJL-OXJNMPFZSA-N 1 3 358.917 3.050 20 0 FGADHO C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925774399 759534507 /nfs/dbraw/zinc/53/45/07/759534507.db2.gz VEBQZFURCAYWFI-AABGKKOBSA-N 1 3 350.547 3.110 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1Br ZINC000925776956 759534634 /nfs/dbraw/zinc/53/46/34/759534634.db2.gz BKXWVILMUYUJJC-JQWIXIFHSA-N 1 3 363.246 3.353 20 0 FGADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OC(F)F ZINC000925779407 759535576 /nfs/dbraw/zinc/53/55/76/759535576.db2.gz NBAOESPELREVAR-JQWIXIFHSA-N 1 3 350.356 3.192 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cc(Br)c2ccccc2c1 ZINC000925807481 759546286 /nfs/dbraw/zinc/54/62/86/759546286.db2.gz VGYSPYCNVPLRSA-BJOOFOGMSA-N 1 3 363.299 3.444 20 0 FGADHO CC[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857301 759561516 /nfs/dbraw/zinc/56/15/16/759561516.db2.gz ZKAOMRUMUDPKCL-GOEBONIOSA-N 1 3 366.889 3.075 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857550 759561685 /nfs/dbraw/zinc/56/16/85/759561685.db2.gz PNRZWJBFUWWLGX-DOMZBBRYSA-N 1 3 362.857 3.422 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000968728312 762841490 /nfs/dbraw/zinc/84/14/90/762841490.db2.gz IAZXFWXKZRYCDH-CSMYWGQOSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC000968728312 762841499 /nfs/dbraw/zinc/84/14/99/762841499.db2.gz IAZXFWXKZRYCDH-CSMYWGQOSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3Cl)C2)CC[N@@H+]1C ZINC001022104104 765974157 /nfs/dbraw/zinc/97/41/57/765974157.db2.gz VQDSRSDLDAPGBB-BQDHKBFISA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC001022104104 765974159 /nfs/dbraw/zinc/97/41/59/765974159.db2.gz VQDSRSDLDAPGBB-BQDHKBFISA-N 1 3 370.324 3.070 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022106059 765974376 /nfs/dbraw/zinc/97/43/76/765974376.db2.gz DTWWDKBMTHIKEX-DHBZOUTCSA-N 1 3 363.933 3.368 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001022106059 765974377 /nfs/dbraw/zinc/97/43/77/765974377.db2.gz DTWWDKBMTHIKEX-DHBZOUTCSA-N 1 3 363.933 3.368 20 0 FGADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092511 /nfs/dbraw/zinc/09/25/11/766092511.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092519 /nfs/dbraw/zinc/09/25/19/766092519.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000072041961 221399068 /nfs/dbraw/zinc/39/90/68/221399068.db2.gz WEHOWYIRNVFVBS-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000072041961 221399070 /nfs/dbraw/zinc/39/90/70/221399070.db2.gz WEHOWYIRNVFVBS-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C4CCN(C)CC4)C3)cc2)no1 ZINC000568035836 505600567 /nfs/dbraw/zinc/60/05/67/505600567.db2.gz NNPJWZIHFLWHDM-LJQANCHMSA-N 1 3 370.497 3.121 20 0 FGADHO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C4CCN(C)CC4)C3)cc2)no1 ZINC000568035836 505600568 /nfs/dbraw/zinc/60/05/68/505600568.db2.gz NNPJWZIHFLWHDM-LJQANCHMSA-N 1 3 370.497 3.121 20 0 FGADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573839710 505633283 /nfs/dbraw/zinc/63/32/83/505633283.db2.gz GLBJAZWKCIYHFN-HKUYNNGSSA-N 1 3 361.555 3.124 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000573840011 505633387 /nfs/dbraw/zinc/63/33/87/505633387.db2.gz NGVHVKZEPSTDHT-JTSKRJEESA-N 1 3 363.505 3.215 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879371 505637559 /nfs/dbraw/zinc/63/75/59/505637559.db2.gz BVSFUTVWGULGFC-FXAWDEMLSA-N 1 3 361.505 3.199 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879371 505637561 /nfs/dbraw/zinc/63/75/61/505637561.db2.gz BVSFUTVWGULGFC-FXAWDEMLSA-N 1 3 361.505 3.199 20 0 FGADHO CN(C)c1cc(Cl)cc(Cl)c1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000577106127 505665361 /nfs/dbraw/zinc/66/53/61/505665361.db2.gz HGYIVXCKVRJAOK-HNNXBMFYSA-N 1 3 374.356 3.386 20 0 FGADHO CN(C)c1cc(Cl)cc(Cl)c1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000577106127 505665365 /nfs/dbraw/zinc/66/53/65/505665365.db2.gz HGYIVXCKVRJAOK-HNNXBMFYSA-N 1 3 374.356 3.386 20 0 FGADHO CN(CCC(=O)Nc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110016 493824463 /nfs/dbraw/zinc/82/44/63/493824463.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 1 3 351.494 3.469 20 0 FGADHO CN(CCC(=O)Nc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110016 493824468 /nfs/dbraw/zinc/82/44/68/493824468.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 1 3 351.494 3.469 20 0 FGADHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OCc1cccnc1 ZINC000030906891 493912748 /nfs/dbraw/zinc/91/27/48/493912748.db2.gz AJUSGOSKDDMGRK-GOSISDBHSA-N 1 3 367.493 3.243 20 0 FGADHO CCN(Cc1ccccc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760739 493986808 /nfs/dbraw/zinc/98/68/08/493986808.db2.gz VYAQGSFWMHSOML-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CC(C)(C)C)CC2)CC1 ZINC000051761175 493986885 /nfs/dbraw/zinc/98/68/85/493986885.db2.gz OVTDUBWZYWNFMT-IBGZPJMESA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365690 494117567 /nfs/dbraw/zinc/11/75/67/494117567.db2.gz RPWOBXRMFFYOQS-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCN1CCN(C)CC1 ZINC000568473070 505702257 /nfs/dbraw/zinc/70/22/57/505702257.db2.gz UOLYWAUKAWOVMT-HNNXBMFYSA-N 1 3 374.356 3.378 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245610 505712183 /nfs/dbraw/zinc/71/21/83/505712183.db2.gz WNMRVZRZFUTGIM-NRFANRHFSA-N 1 3 354.542 3.391 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245610 505712185 /nfs/dbraw/zinc/71/21/85/505712185.db2.gz WNMRVZRZFUTGIM-NRFANRHFSA-N 1 3 354.542 3.391 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000073173693 494332686 /nfs/dbraw/zinc/33/26/86/494332686.db2.gz JSVVLEVLNUUUOE-OAQYLSRUSA-N 1 3 357.542 3.369 20 0 FGADHO C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221086 494456414 /nfs/dbraw/zinc/45/64/14/494456414.db2.gz FJIMXHAWAVVQPA-LMKMVOKYSA-N 1 3 360.523 3.215 20 0 FGADHO COc1ccc(-c2ccccc2C)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574204535 505719694 /nfs/dbraw/zinc/71/96/94/505719694.db2.gz KKUADEBPAQENLD-NRFANRHFSA-N 1 3 365.521 3.150 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939396 494582509 /nfs/dbraw/zinc/58/25/09/494582509.db2.gz DEGCYNLMJJTNOF-CRAIPNDOSA-N 1 3 369.575 3.465 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939619 494582640 /nfs/dbraw/zinc/58/26/40/494582640.db2.gz DEGCYNLMJJTNOF-MAUKXSAKSA-N 1 3 369.575 3.465 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856583 494626143 /nfs/dbraw/zinc/62/61/43/494626143.db2.gz OAGFPFSDZWMQFI-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057137800 494654034 /nfs/dbraw/zinc/65/40/34/494654034.db2.gz DWVPYMPGCQZDDJ-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057137800 494654038 /nfs/dbraw/zinc/65/40/38/494654038.db2.gz DWVPYMPGCQZDDJ-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000092587170 494678333 /nfs/dbraw/zinc/67/83/33/494678333.db2.gz UGDQFDSZNIQBOI-HZPDHXFCSA-N 1 3 374.554 3.459 20 0 FGADHO CN(c1ccccc1CN1CCC(n2ccnc2)CC1)C1CC[NH+](C)CC1 ZINC000092648724 494693427 /nfs/dbraw/zinc/69/34/27/494693427.db2.gz IJODRCRDSWXZGT-UHFFFAOYSA-N 1 3 367.541 3.251 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000580340629 505736393 /nfs/dbraw/zinc/73/63/93/505736393.db2.gz VLJPTCBURZVZDZ-YESZJQIVSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000580340629 505736397 /nfs/dbraw/zinc/73/63/97/505736397.db2.gz VLJPTCBURZVZDZ-YESZJQIVSA-N 1 3 360.889 3.395 20 0 FGADHO C[C@H](C(=O)NC1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820874 494761075 /nfs/dbraw/zinc/76/10/75/494761075.db2.gz FQFYHDVCCNIQHS-GOSISDBHSA-N 1 3 372.557 3.457 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126520555 494777528 /nfs/dbraw/zinc/77/75/28/494777528.db2.gz HUPOCUOIRLXHGF-JOCHJYFZSA-N 1 3 371.569 3.395 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000132074498 494813375 /nfs/dbraw/zinc/81/33/75/494813375.db2.gz HKLOLYBOOKSHEV-NQIIRXRSSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116560880 494815028 /nfs/dbraw/zinc/81/50/28/494815028.db2.gz SXMUPGBOZIQHPK-RTBURBONSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560880 494815035 /nfs/dbraw/zinc/81/50/35/494815035.db2.gz SXMUPGBOZIQHPK-RTBURBONSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116561583 494816424 /nfs/dbraw/zinc/81/64/24/494816424.db2.gz XEAYXVHOIPYKEG-LJQANCHMSA-N 1 3 374.573 3.441 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc2O1)C1CCN(C)CC1 ZINC000132858393 494934356 /nfs/dbraw/zinc/93/43/56/494934356.db2.gz VJTDWJQOFBRKNI-NRFANRHFSA-N 1 3 365.521 3.310 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128016022 495031379 /nfs/dbraw/zinc/03/13/79/495031379.db2.gz ZTBWQZMULPMCNV-SJORKVTESA-N 1 3 369.509 3.086 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128016022 495031382 /nfs/dbraw/zinc/03/13/82/495031382.db2.gz ZTBWQZMULPMCNV-SJORKVTESA-N 1 3 369.509 3.086 20 0 FGADHO Cc1ccc(-c2noc(CCCN(C)C[C@@H]3CCC[N@H+](C)C3)n2)cc1F ZINC000118841305 495047383 /nfs/dbraw/zinc/04/73/83/495047383.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 1 3 360.477 3.390 20 0 FGADHO Cc1ccc(-c2noc(CCCN(C)C[C@@H]3CCC[N@@H+](C)C3)n2)cc1F ZINC000118841305 495047388 /nfs/dbraw/zinc/04/73/88/495047388.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 1 3 360.477 3.390 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000128155798 495053037 /nfs/dbraw/zinc/05/30/37/495053037.db2.gz JBXLUIDZMPSTOP-UHFFFAOYSA-N 1 3 369.484 3.153 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000123070807 495076439 /nfs/dbraw/zinc/07/64/39/495076439.db2.gz ZSWOCDFAPYZONB-QFIPXVFZSA-N 1 3 371.500 3.179 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000134169179 495116221 /nfs/dbraw/zinc/11/62/21/495116221.db2.gz WYYKXJLZXOFZNK-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000134169179 495116224 /nfs/dbraw/zinc/11/62/24/495116224.db2.gz WYYKXJLZXOFZNK-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123477244 495138050 /nfs/dbraw/zinc/13/80/50/495138050.db2.gz QRXMXBVCNYFJIT-LJQANCHMSA-N 1 3 359.558 3.096 20 0 FGADHO C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000119346198 495147240 /nfs/dbraw/zinc/14/72/40/495147240.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000119346198 495147242 /nfs/dbraw/zinc/14/72/42/495147242.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000103211719 495205031 /nfs/dbraw/zinc/20/50/31/495205031.db2.gz LXAWCEAFAYTDSR-UHFFFAOYSA-N 1 3 363.502 3.120 20 0 FGADHO COC[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](COC)C2)C1 ZINC000112985381 495263668 /nfs/dbraw/zinc/26/36/68/495263668.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](COC)C2)C1 ZINC000112985381 495263670 /nfs/dbraw/zinc/26/36/70/495263670.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263674 /nfs/dbraw/zinc/26/36/74/495263674.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263677 /nfs/dbraw/zinc/26/36/77/495263677.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 1 3 360.542 3.403 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC(C)(C)c3ccccc3)CC2)CC1 ZINC000124354882 495274677 /nfs/dbraw/zinc/27/46/77/495274677.db2.gz XBERZKGJYKFYBH-UHFFFAOYSA-N 1 3 357.542 3.029 20 0 FGADHO CO[C@@H](C)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120060603 495298523 /nfs/dbraw/zinc/29/85/23/495298523.db2.gz RLYINFYUIYPXOZ-INIZCTEOSA-N 1 3 374.529 3.074 20 0 FGADHO COC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439046 505773360 /nfs/dbraw/zinc/77/33/60/505773360.db2.gz PQIKZFHYPZPSJQ-QFIPXVFZSA-N 1 3 371.569 3.228 20 0 FGADHO COC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439046 505773364 /nfs/dbraw/zinc/77/33/64/505773364.db2.gz PQIKZFHYPZPSJQ-QFIPXVFZSA-N 1 3 371.569 3.228 20 0 FGADHO CCC(CC)(CNC(=O)NC1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000113579300 495317212 /nfs/dbraw/zinc/31/72/12/495317212.db2.gz ZRVAIMWAYKTUJY-QGZVFWFLSA-N 1 3 360.546 3.289 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000130323575 495373080 /nfs/dbraw/zinc/37/30/80/495373080.db2.gz ZAOOYBFBWIMFTH-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000130323575 495373083 /nfs/dbraw/zinc/37/30/83/495373083.db2.gz ZAOOYBFBWIMFTH-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000130323575 495373088 /nfs/dbraw/zinc/37/30/88/495373088.db2.gz ZAOOYBFBWIMFTH-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO CC[C@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507890 495394192 /nfs/dbraw/zinc/39/41/92/495394192.db2.gz PGKCDYYKONEVNO-OAQYLSRUSA-N 1 3 359.558 3.319 20 0 FGADHO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880321 495460355 /nfs/dbraw/zinc/46/03/55/495460355.db2.gz GXLRZFMDVNLEQG-FQEVSTJZSA-N 1 3 355.526 3.033 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577749328 505784673 /nfs/dbraw/zinc/78/46/73/505784673.db2.gz YDBKTVYSVCZGAI-HOJAQTOUSA-N 1 3 357.542 3.093 20 0 FGADHO C[NH+](C)CC1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000185388347 495558707 /nfs/dbraw/zinc/55/87/07/495558707.db2.gz TWIZXDSXTSAMGB-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)s1 ZINC000154360281 495592295 /nfs/dbraw/zinc/59/22/95/495592295.db2.gz TYGVRCAPUSJVQE-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154411020 495607977 /nfs/dbraw/zinc/60/79/77/495607977.db2.gz QOXXCZZEPQCHER-HNNXBMFYSA-N 1 3 352.592 3.427 20 0 FGADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000173618826 495617656 /nfs/dbraw/zinc/61/76/56/495617656.db2.gz WPYGUCCJXRGGPM-HZPDHXFCSA-N 1 3 357.498 3.461 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158936570 495619135 /nfs/dbraw/zinc/61/91/35/495619135.db2.gz SGPPYWNUZXUHOP-INIZCTEOSA-N 1 3 362.518 3.288 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158936570 495619138 /nfs/dbraw/zinc/61/91/38/495619138.db2.gz SGPPYWNUZXUHOP-INIZCTEOSA-N 1 3 362.518 3.288 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531123 505793951 /nfs/dbraw/zinc/79/39/51/505793951.db2.gz LYKPTXKYRFSVML-FRRDWIJNSA-N 1 3 362.827 3.192 20 0 FGADHO Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(OCCN(C)C)c1 ZINC000154606236 495670397 /nfs/dbraw/zinc/67/03/97/495670397.db2.gz GWWIILHZKQUFRU-UHFFFAOYSA-N 1 3 374.529 3.028 20 0 FGADHO COC(=O)c1cccc(OCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185692685 495682044 /nfs/dbraw/zinc/68/20/44/495682044.db2.gz JVPWWLPMFHNRJJ-AEFFLSMTSA-N 1 3 360.498 3.095 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272836 495698817 /nfs/dbraw/zinc/69/88/17/495698817.db2.gz JZFYOBDDOSSVAY-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000150976207 495699312 /nfs/dbraw/zinc/69/93/12/495699312.db2.gz UYOVTQMNSGQLDB-HOTGVXAUSA-N 1 3 360.571 3.404 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150986235 495703424 /nfs/dbraw/zinc/70/34/24/495703424.db2.gz IUVIDUAQNWTJQB-AWEZNQCLSA-N 1 3 352.592 3.426 20 0 FGADHO Cc1nc2ccccc2nc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171307216 495813332 /nfs/dbraw/zinc/81/33/32/495813332.db2.gz KXKOYMDQJLEVHV-IAGOWNOFSA-N 1 3 368.525 3.259 20 0 FGADHO COC1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000183136719 495849696 /nfs/dbraw/zinc/84/96/96/495849696.db2.gz RPIBIZZIYISDOI-UHFFFAOYSA-N 1 3 359.558 3.132 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000580670055 505810152 /nfs/dbraw/zinc/81/01/52/505810152.db2.gz QJDZFQGPJDJYQU-NQIIRXRSSA-N 1 3 357.542 3.468 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000580670055 505810157 /nfs/dbraw/zinc/81/01/57/505810157.db2.gz QJDZFQGPJDJYQU-NQIIRXRSSA-N 1 3 357.542 3.468 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276908 495901070 /nfs/dbraw/zinc/90/10/70/495901070.db2.gz CQUVQGRASXOCIK-WIYYLYMNSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000174345200 495919886 /nfs/dbraw/zinc/91/98/86/495919886.db2.gz LLPSLASGOQCJIF-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000186269930 495921103 /nfs/dbraw/zinc/92/11/03/495921103.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000186269930 495921108 /nfs/dbraw/zinc/92/11/08/495921108.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(OCCN(C)C)cc1 ZINC000180390757 495977950 /nfs/dbraw/zinc/97/79/50/495977950.db2.gz AKMQINGVZWQFSG-OXJNMPFZSA-N 1 3 367.493 3.404 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1ccccc1OC(F)F ZINC000155695574 496038037 /nfs/dbraw/zinc/03/80/37/496038037.db2.gz FZDVVUYULWVRPA-NVXWUHKLSA-N 1 3 355.473 3.355 20 0 FGADHO COc1ccc(OC(F)F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000171841438 496058968 /nfs/dbraw/zinc/05/89/68/496058968.db2.gz TVBBRUROPFLDOA-GASCZTMLSA-N 1 3 372.456 3.276 20 0 FGADHO CC(C)n1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000171840284 496059029 /nfs/dbraw/zinc/05/90/29/496059029.db2.gz UCJCUDNESBBFCW-UHFFFAOYSA-N 1 3 369.557 3.152 20 0 FGADHO CC[C@H](CN(CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620178 496076637 /nfs/dbraw/zinc/07/66/37/496076637.db2.gz ROPFKYGCNBFQNN-LJQANCHMSA-N 1 3 359.558 3.491 20 0 FGADHO CN(C)Cc1cccc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1 ZINC000174795134 496109526 /nfs/dbraw/zinc/10/95/26/496109526.db2.gz VQHJZLJNJNRBGS-UHFFFAOYSA-N 1 3 355.482 3.331 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408476 496142581 /nfs/dbraw/zinc/14/25/81/496142581.db2.gz SNXNWZLJSAPHCF-IRXDYDNUSA-N 1 3 354.498 3.134 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408476 496142585 /nfs/dbraw/zinc/14/25/85/496142585.db2.gz SNXNWZLJSAPHCF-IRXDYDNUSA-N 1 3 354.498 3.134 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671670 505828642 /nfs/dbraw/zinc/82/86/42/505828642.db2.gz OMKQPBVLEBXBMH-WOJBJXKFSA-N 1 3 361.530 3.240 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(OC(F)F)c1 ZINC000172191875 496201754 /nfs/dbraw/zinc/20/17/54/496201754.db2.gz JCSORNDMQCKZNY-HUUCEWRRSA-N 1 3 372.456 3.276 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181053599 496254088 /nfs/dbraw/zinc/25/40/88/496254088.db2.gz CYWAUCPRMAEFKS-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000181053599 496254093 /nfs/dbraw/zinc/25/40/93/496254093.db2.gz CYWAUCPRMAEFKS-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034279 496297703 /nfs/dbraw/zinc/29/77/03/496297703.db2.gz OZGMQNCGDWPLDW-KBPBESRZSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000175272110 496316870 /nfs/dbraw/zinc/31/68/70/496316870.db2.gz ZIVGHUBOVUOKPU-ZFORQUDYSA-N 1 3 357.542 3.417 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000175272110 496316874 /nfs/dbraw/zinc/31/68/74/496316874.db2.gz ZIVGHUBOVUOKPU-ZFORQUDYSA-N 1 3 357.542 3.417 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303472 496330850 /nfs/dbraw/zinc/33/08/50/496330850.db2.gz VBGDDDSDUMFXMN-GHTZIAJQSA-N 1 3 372.557 3.212 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000157095875 496404978 /nfs/dbraw/zinc/40/49/78/496404978.db2.gz FKZXHXGLOMWFIP-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000157095875 496404983 /nfs/dbraw/zinc/40/49/83/496404983.db2.gz FKZXHXGLOMWFIP-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000175524115 496425932 /nfs/dbraw/zinc/42/59/32/496425932.db2.gz TUEFAWPTZULGGJ-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000175524115 496425938 /nfs/dbraw/zinc/42/59/38/496425938.db2.gz TUEFAWPTZULGGJ-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000574736548 505844312 /nfs/dbraw/zinc/84/43/12/505844312.db2.gz KWXBENSUYPLNDA-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445381 496459085 /nfs/dbraw/zinc/45/90/85/496459085.db2.gz BZUPFTJKTRQMBC-OXQOHEQNSA-N 1 3 358.482 3.020 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282420 496492382 /nfs/dbraw/zinc/49/23/82/496492382.db2.gz OKLGWEJNJRVBAI-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282420 496492384 /nfs/dbraw/zinc/49/23/84/496492384.db2.gz OKLGWEJNJRVBAI-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282420 496492390 /nfs/dbraw/zinc/49/23/90/496492390.db2.gz OKLGWEJNJRVBAI-HOTGVXAUSA-N 1 3 351.922 3.008 20 0 FGADHO CCC1(CC)[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000181708052 496511562 /nfs/dbraw/zinc/51/15/62/496511562.db2.gz WWJJSTAUUZSQLC-SFTDATJTSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157611391 496515543 /nfs/dbraw/zinc/51/55/43/496515543.db2.gz FHIBEAMGVUETBG-LPWQTFTOSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@](C)(O)c1ccccc1Cl ZINC000157611391 496515549 /nfs/dbraw/zinc/51/55/49/496515549.db2.gz FHIBEAMGVUETBG-LPWQTFTOSA-N 1 3 366.933 3.027 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184831742 496548822 /nfs/dbraw/zinc/54/88/22/496548822.db2.gz WSBZCAQPTKNCTH-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184831742 496548824 /nfs/dbraw/zinc/54/88/24/496548824.db2.gz WSBZCAQPTKNCTH-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000175804424 496551628 /nfs/dbraw/zinc/55/16/28/496551628.db2.gz KUVDHWVVCQXHAO-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H](N)c1ccccc1 ZINC000164728964 496629778 /nfs/dbraw/zinc/62/97/78/496629778.db2.gz OBTPWHPNACEQCL-UTKZUKDTSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000173346484 496652374 /nfs/dbraw/zinc/65/23/74/496652374.db2.gz DNQBNCZFWFRYHY-OALUTQOASA-N 1 3 364.578 3.299 20 0 FGADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000165265455 496653712 /nfs/dbraw/zinc/65/37/12/496653712.db2.gz OGHMMTISYAEWKM-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN1CCCC1 ZINC000165265455 496653716 /nfs/dbraw/zinc/65/37/16/496653716.db2.gz OGHMMTISYAEWKM-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000173359972 496658405 /nfs/dbraw/zinc/65/84/05/496658405.db2.gz MWELCNNOCPCGFV-ZACQAIPSSA-N 1 3 350.503 3.244 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000158388990 496690645 /nfs/dbraw/zinc/69/06/45/496690645.db2.gz JIMHTPSFMVLGGK-LZWOXQAQSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388990 496690650 /nfs/dbraw/zinc/69/06/50/496690650.db2.gz JIMHTPSFMVLGGK-LZWOXQAQSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCNC1CC[NH+](C(C)C)CC1 ZINC000158406663 496696248 /nfs/dbraw/zinc/69/62/48/496696248.db2.gz PXRITLPJUZTSRP-UHFFFAOYSA-N 1 3 367.921 3.448 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCCC2 ZINC000182261723 496722689 /nfs/dbraw/zinc/72/26/89/496722689.db2.gz VJMVUIVUKALUPW-PWRODBHTSA-N 1 3 358.526 3.081 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182263309 496722739 /nfs/dbraw/zinc/72/27/39/496722739.db2.gz DITZSQBXVNUZME-ROUUACIJSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182263309 496722741 /nfs/dbraw/zinc/72/27/41/496722741.db2.gz DITZSQBXVNUZME-ROUUACIJSA-N 1 3 357.523 3.185 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000246947802 496731865 /nfs/dbraw/zinc/73/18/65/496731865.db2.gz NVXVBAHMTOABGP-AZUAARDMSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000246947802 496731868 /nfs/dbraw/zinc/73/18/68/496731868.db2.gz NVXVBAHMTOABGP-AZUAARDMSA-N 1 3 357.542 3.475 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000247004098 496748516 /nfs/dbraw/zinc/74/85/16/496748516.db2.gz KAZLIBACXNTVAT-VNVACVKESA-N 1 3 366.571 3.357 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000247016090 496753128 /nfs/dbraw/zinc/75/31/28/496753128.db2.gz MPFHZTOMJPLNGG-VAMGGRTRSA-N 1 3 370.541 3.471 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000273342308 496778492 /nfs/dbraw/zinc/77/84/92/496778492.db2.gz AQIGHNXFCRKAFD-GHTZIAJQSA-N 1 3 372.557 3.195 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828581 /nfs/dbraw/zinc/82/85/81/496828581.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 1 3 362.493 3.144 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828584 /nfs/dbraw/zinc/82/85/84/496828584.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 1 3 362.493 3.144 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000247325972 496835471 /nfs/dbraw/zinc/83/54/71/496835471.db2.gz XJELSTSHGXOUNL-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000247508531 496875297 /nfs/dbraw/zinc/87/52/97/496875297.db2.gz MIAHSNWPUBODDR-TUNNFDKTSA-N 1 3 360.542 3.248 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000247508531 496875299 /nfs/dbraw/zinc/87/52/99/496875299.db2.gz MIAHSNWPUBODDR-TUNNFDKTSA-N 1 3 360.542 3.248 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411144 497000994 /nfs/dbraw/zinc/00/09/94/497000994.db2.gz YWBAAWLCCCKGRQ-CMOCDZPBSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000192122563 497001884 /nfs/dbraw/zinc/00/18/84/497001884.db2.gz IYVFNRPZEKXMST-OALUTQOASA-N 1 3 353.510 3.178 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248517248 497029933 /nfs/dbraw/zinc/02/99/33/497029933.db2.gz PHAFUTZSPNYINX-RTBURBONSA-N 1 3 366.571 3.401 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248517248 497029939 /nfs/dbraw/zinc/02/99/39/497029939.db2.gz PHAFUTZSPNYINX-RTBURBONSA-N 1 3 366.571 3.401 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000274395459 497087317 /nfs/dbraw/zinc/08/73/17/497087317.db2.gz FCARUVNWEXKLQL-MRXNPFEDSA-N 1 3 369.509 3.058 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405017 497103061 /nfs/dbraw/zinc/10/30/61/497103061.db2.gz DUVQTNRGGZBMFN-DLBZAZTESA-N 1 3 374.529 3.122 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405017 497103066 /nfs/dbraw/zinc/10/30/66/497103066.db2.gz DUVQTNRGGZBMFN-DLBZAZTESA-N 1 3 374.529 3.122 20 0 FGADHO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(OCCN(C)C)cc1 ZINC000278457001 497121129 /nfs/dbraw/zinc/12/11/29/497121129.db2.gz MDTRRFKXTQGDIM-CYBMUJFWSA-N 1 3 366.399 3.195 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000278457001 497121134 /nfs/dbraw/zinc/12/11/34/497121134.db2.gz MDTRRFKXTQGDIM-CYBMUJFWSA-N 1 3 366.399 3.195 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270427429 497125776 /nfs/dbraw/zinc/12/57/76/497125776.db2.gz HDJNGGDJRJGRSU-CYBMUJFWSA-N 1 3 359.345 3.254 20 0 FGADHO CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000236679557 497131331 /nfs/dbraw/zinc/13/13/31/497131331.db2.gz AUFXALHOBNEZID-DRLVYXDUSA-N 1 3 369.553 3.106 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000274632907 497134633 /nfs/dbraw/zinc/13/46/33/497134633.db2.gz OEEDZZQHXHFQKU-KRWDZBQOSA-N 1 3 357.542 3.202 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249031351 497150848 /nfs/dbraw/zinc/15/08/48/497150848.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249031351 497150853 /nfs/dbraw/zinc/15/08/53/497150853.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 1 3 374.573 3.126 20 0 FGADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854304 497157113 /nfs/dbraw/zinc/15/71/13/497157113.db2.gz DMPXEBSSMLBGPV-CQSZACIVSA-N 1 3 370.335 3.488 20 0 FGADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854304 497157118 /nfs/dbraw/zinc/15/71/18/497157118.db2.gz DMPXEBSSMLBGPV-CQSZACIVSA-N 1 3 370.335 3.488 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249277245 497185923 /nfs/dbraw/zinc/18/59/23/497185923.db2.gz DPWAURXDFKGFAI-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249277245 497185925 /nfs/dbraw/zinc/18/59/25/497185925.db2.gz DPWAURXDFKGFAI-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237110742 497192729 /nfs/dbraw/zinc/19/27/29/497192729.db2.gz MGHUWGSGGMSYQW-UHFFFAOYSA-N 1 3 361.864 3.059 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237110742 497192734 /nfs/dbraw/zinc/19/27/34/497192734.db2.gz MGHUWGSGGMSYQW-UHFFFAOYSA-N 1 3 361.864 3.059 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000192786376 497214038 /nfs/dbraw/zinc/21/40/38/497214038.db2.gz VCBOPEUNXXSIPD-MRXNPFEDSA-N 1 3 355.473 3.355 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000237277233 497214121 /nfs/dbraw/zinc/21/41/21/497214121.db2.gz JCOMTNAPTLXNCM-SFHVURJKSA-N 1 3 355.457 3.396 20 0 FGADHO COc1cccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000237371174 497227217 /nfs/dbraw/zinc/22/72/17/497227217.db2.gz TWLYXTFPYXNWQQ-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO Cc1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237372486 497227840 /nfs/dbraw/zinc/22/78/40/497227840.db2.gz MSYPELXEMJVJAZ-PKOBYXMFSA-N 1 3 373.541 3.434 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)Cc3ccccc3)cc2)C1 ZINC000237475865 497242148 /nfs/dbraw/zinc/24/21/48/497242148.db2.gz QGILKMIGPBSXKH-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)Cc3ccccc3)cc2)C1 ZINC000237475865 497242154 /nfs/dbraw/zinc/24/21/54/497242154.db2.gz QGILKMIGPBSXKH-GCJKJVERSA-N 1 3 365.521 3.105 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192927870 497248713 /nfs/dbraw/zinc/24/87/13/497248713.db2.gz NJBYBIMRMRLMJN-GOOCMWNKSA-N 1 3 365.905 3.200 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192927870 497248717 /nfs/dbraw/zinc/24/87/17/497248717.db2.gz NJBYBIMRMRLMJN-GOOCMWNKSA-N 1 3 365.905 3.200 20 0 FGADHO c1ccc(CN2CC[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932038 497251070 /nfs/dbraw/zinc/25/10/70/497251070.db2.gz LCNUPBRFIOJSEH-NRFANRHFSA-N 1 3 350.510 3.294 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237649940 497268707 /nfs/dbraw/zinc/26/87/07/497268707.db2.gz ITPHAGZPJNCUSG-SYNHAJSKSA-N 1 3 363.571 3.273 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237659040 497270523 /nfs/dbraw/zinc/27/05/23/497270523.db2.gz QNAAXYXKQSNNMR-KZNAEPCWSA-N 1 3 363.571 3.102 20 0 FGADHO Cc1nn(C)c2ncc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000237892155 497309008 /nfs/dbraw/zinc/30/90/08/497309008.db2.gz KKQXGUKRNJVLGF-MRXNPFEDSA-N 1 3 369.538 3.340 20 0 FGADHO Cc1nn(C)c2ncc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000237892155 497309012 /nfs/dbraw/zinc/30/90/12/497309012.db2.gz KKQXGUKRNJVLGF-MRXNPFEDSA-N 1 3 369.538 3.340 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315897 /nfs/dbraw/zinc/31/58/97/497315897.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315901 /nfs/dbraw/zinc/31/59/01/497315901.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317788 /nfs/dbraw/zinc/31/77/88/497317788.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 1 3 373.585 3.234 20 0 FGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237968509 497321607 /nfs/dbraw/zinc/32/16/07/497321607.db2.gz RAJSUEHUAKSNKV-HOJAQTOUSA-N 1 3 373.566 3.137 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296758 497325827 /nfs/dbraw/zinc/32/58/27/497325827.db2.gz TYMHBKQFMPPDFV-RBUKOAKNSA-N 1 3 361.530 3.050 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296758 497325831 /nfs/dbraw/zinc/32/58/31/497325831.db2.gz TYMHBKQFMPPDFV-RBUKOAKNSA-N 1 3 361.530 3.050 20 0 FGADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000255958748 497381688 /nfs/dbraw/zinc/38/16/88/497381688.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000255958748 497381691 /nfs/dbraw/zinc/38/16/91/497381691.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000271707728 497424562 /nfs/dbraw/zinc/42/45/62/497424562.db2.gz MIYVOUFUZRJQBP-NRFANRHFSA-N 1 3 369.484 3.358 20 0 FGADHO C[N@H+]1CC=C(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000271771885 497444251 /nfs/dbraw/zinc/44/42/51/497444251.db2.gz BUGHSHKOAFPMNF-UHFFFAOYSA-N 1 3 373.504 3.345 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000271771885 497444258 /nfs/dbraw/zinc/44/42/58/497444258.db2.gz BUGHSHKOAFPMNF-UHFFFAOYSA-N 1 3 373.504 3.345 20 0 FGADHO CN1CC=C(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000271771885 497444264 /nfs/dbraw/zinc/44/42/64/497444264.db2.gz BUGHSHKOAFPMNF-UHFFFAOYSA-N 1 3 373.504 3.345 20 0 FGADHO C[N@H+]1CC=C(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000271803105 497455111 /nfs/dbraw/zinc/45/51/11/497455111.db2.gz JJBQAUDAJGSDEM-UHFFFAOYSA-N 1 3 357.498 3.336 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000271803105 497455116 /nfs/dbraw/zinc/45/51/16/497455116.db2.gz JJBQAUDAJGSDEM-UHFFFAOYSA-N 1 3 357.498 3.336 20 0 FGADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C34CCCN3CCC4)cc2)CC1 ZINC000279526026 497462696 /nfs/dbraw/zinc/46/26/96/497462696.db2.gz VOBNGPKRTKDGCZ-UHFFFAOYSA-N 1 3 370.541 3.032 20 0 FGADHO Cc1ccc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262092335 497507022 /nfs/dbraw/zinc/50/70/22/497507022.db2.gz HGHAWZHSTFDSFK-JOCHJYFZSA-N 1 3 365.521 3.054 20 0 FGADHO CC(C)Oc1ccc2ccccc2c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262161710 497518047 /nfs/dbraw/zinc/51/80/47/497518047.db2.gz STANAVYUURTDOO-LJQANCHMSA-N 1 3 353.510 3.107 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193972781 497536365 /nfs/dbraw/zinc/53/63/65/497536365.db2.gz ZOFODQBOPOIJNI-CHWSQXEVSA-N 1 3 360.365 3.187 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000262378332 497546966 /nfs/dbraw/zinc/54/69/66/497546966.db2.gz MRIOSSFNYYZOPT-SUMWQHHRSA-N 1 3 371.447 3.060 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578321372 505913495 /nfs/dbraw/zinc/91/34/95/505913495.db2.gz OSHFVCVNQYSAMR-FQEVSTJZSA-N 1 3 366.594 3.259 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578321372 505913496 /nfs/dbraw/zinc/91/34/96/505913496.db2.gz OSHFVCVNQYSAMR-FQEVSTJZSA-N 1 3 366.594 3.259 20 0 FGADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000569349580 505914923 /nfs/dbraw/zinc/91/49/23/505914923.db2.gz PKAPVBSJMFLQAQ-WKULXVSPSA-N 1 3 360.502 3.068 20 0 FGADHO COc1cccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)n1 ZINC000190732468 497588589 /nfs/dbraw/zinc/58/85/89/497588589.db2.gz WUQWVJQRHIONDR-UHFFFAOYSA-N 1 3 368.525 3.091 20 0 FGADHO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[C@@H](N)c1ccccc1 ZINC000262644800 497589540 /nfs/dbraw/zinc/58/95/40/497589540.db2.gz NEKRLOBZYJXFNF-HRAATJIYSA-N 1 3 366.509 3.467 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216812 505916386 /nfs/dbraw/zinc/91/63/86/505916386.db2.gz RFCNBTMAKNTTBO-GOSISDBHSA-N 1 3 366.509 3.432 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216812 505916389 /nfs/dbraw/zinc/91/63/89/505916389.db2.gz RFCNBTMAKNTTBO-GOSISDBHSA-N 1 3 366.509 3.432 20 0 FGADHO CN(C)[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000272467434 497637017 /nfs/dbraw/zinc/63/70/17/497637017.db2.gz ZUVIUEGWZWIPTE-PLACYPQZSA-N 1 3 359.583 3.209 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1OCCN1CCCC1 ZINC000262948999 497664501 /nfs/dbraw/zinc/66/45/01/497664501.db2.gz JJAXZLMIDKTYCR-RXVVDRJESA-N 1 3 359.514 3.316 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272586064 497671171 /nfs/dbraw/zinc/67/11/71/497671171.db2.gz WSBJXCRWSOTLPH-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000272667988 497696900 /nfs/dbraw/zinc/69/69/00/497696900.db2.gz JNYLBXPIINAFQZ-VAMGGRTRSA-N 1 3 354.498 3.201 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079910 497702417 /nfs/dbraw/zinc/70/24/17/497702417.db2.gz LTLKFTPHVGYGHL-QUCCMNQESA-N 1 3 362.562 3.153 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(OC)c(OC)c2C)CC1 ZINC000578369016 505924695 /nfs/dbraw/zinc/92/46/95/505924695.db2.gz QCAQAILDBBQJLI-UHFFFAOYSA-N 1 3 364.530 3.335 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246434027 497733845 /nfs/dbraw/zinc/73/38/45/497733845.db2.gz HDSLNCVXMCLCNU-NLWGTHIKSA-N 1 3 360.546 3.069 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263263931 497744944 /nfs/dbraw/zinc/74/49/44/497744944.db2.gz RHTMMHHYOYBKMY-SJBKTWHCSA-N 1 3 357.542 3.265 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000246535236 497766705 /nfs/dbraw/zinc/76/67/05/497766705.db2.gz VPPQILBPVBFLST-HQRMLTQVSA-N 1 3 364.555 3.332 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000246667872 497797656 /nfs/dbraw/zinc/79/76/56/497797656.db2.gz UVSZMWGZJIXJGP-FVELJTHGSA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)N1CCC([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000263680439 497808313 /nfs/dbraw/zinc/80/83/13/497808313.db2.gz IDMOMRJPVZSUMW-UHFFFAOYSA-N 1 3 356.514 3.304 20 0 FGADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000263680439 497808314 /nfs/dbraw/zinc/80/83/14/497808314.db2.gz IDMOMRJPVZSUMW-UHFFFAOYSA-N 1 3 356.514 3.304 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790054 497811148 /nfs/dbraw/zinc/81/11/48/497811148.db2.gz AHSQFHHVUJLJDO-WIYYLYMNSA-N 1 3 372.557 3.386 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242585 505950074 /nfs/dbraw/zinc/95/00/74/505950074.db2.gz VFXZGOCMBSCHLH-QGTPRVQTSA-N 1 3 360.452 3.393 20 0 FGADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968276 /nfs/dbraw/zinc/96/82/76/497968276.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 1 3 372.456 3.121 20 0 FGADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968282 /nfs/dbraw/zinc/96/82/82/497968282.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 1 3 372.456 3.121 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000285505266 498110471 /nfs/dbraw/zinc/11/04/71/498110471.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 1 3 360.889 3.490 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000285505266 498110463 /nfs/dbraw/zinc/11/04/63/498110463.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 1 3 360.889 3.490 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419210 505984891 /nfs/dbraw/zinc/98/48/91/505984891.db2.gz NTGHGVPRCCNGSH-JWWGGVBKSA-N 1 3 372.557 3.182 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419210 505984896 /nfs/dbraw/zinc/98/48/96/505984896.db2.gz NTGHGVPRCCNGSH-JWWGGVBKSA-N 1 3 372.557 3.182 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148495 /nfs/dbraw/zinc/14/84/95/498148495.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 1 3 363.505 3.144 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148504 /nfs/dbraw/zinc/14/85/04/498148504.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 1 3 363.505 3.144 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000575731785 505993642 /nfs/dbraw/zinc/99/36/42/505993642.db2.gz RJGUEMRSNCHLNN-MRXNPFEDSA-N 1 3 358.530 3.354 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000575731785 505993643 /nfs/dbraw/zinc/99/36/43/505993643.db2.gz RJGUEMRSNCHLNN-MRXNPFEDSA-N 1 3 358.530 3.354 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927845 498213472 /nfs/dbraw/zinc/21/34/72/498213472.db2.gz CPJHCUNSNJGAHV-MFKCLSPESA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927845 498213476 /nfs/dbraw/zinc/21/34/76/498213476.db2.gz CPJHCUNSNJGAHV-MFKCLSPESA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927845 498213479 /nfs/dbraw/zinc/21/34/79/498213479.db2.gz CPJHCUNSNJGAHV-MFKCLSPESA-N 1 3 369.553 3.025 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(Sc2ccccn2)o1 ZINC000292968918 498216329 /nfs/dbraw/zinc/21/63/29/498216329.db2.gz LALIUYDDLGGEEO-INIZCTEOSA-N 1 3 361.511 3.152 20 0 FGADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(Sc2ccccn2)o1 ZINC000292968918 498216335 /nfs/dbraw/zinc/21/63/35/498216335.db2.gz LALIUYDDLGGEEO-INIZCTEOSA-N 1 3 361.511 3.152 20 0 FGADHO FC(F)(F)CN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000578720967 506005161 /nfs/dbraw/zinc/00/51/61/506005161.db2.gz BTQSLFOVRBVAKK-OKYOBFRVSA-N 1 3 367.459 3.408 20 0 FGADHO FC(F)(F)CN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000578720967 506005163 /nfs/dbraw/zinc/00/51/63/506005163.db2.gz BTQSLFOVRBVAKK-OKYOBFRVSA-N 1 3 367.459 3.408 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000365070832 498283232 /nfs/dbraw/zinc/28/32/32/498283232.db2.gz YOAIXMJEHGKXAG-MDNUFGMLSA-N 1 3 372.553 3.328 20 0 FGADHO CC(C)CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000365082975 498289016 /nfs/dbraw/zinc/28/90/16/498289016.db2.gz QSDLDRXSLXUZIV-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000281867239 498297392 /nfs/dbraw/zinc/29/73/92/498297392.db2.gz MDAKJIORWVIRGM-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC000572660065 506023329 /nfs/dbraw/zinc/02/33/29/506023329.db2.gz YWVXMTCKQBQSIY-UHFFFAOYSA-N 1 3 351.441 3.100 20 0 FGADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2c1cccc2CN1CCCC1 ZINC000361710208 498421445 /nfs/dbraw/zinc/42/14/45/498421445.db2.gz FZNHSJANVBECPR-JLYLLQBASA-N 1 3 353.510 3.092 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000361723455 498423872 /nfs/dbraw/zinc/42/38/72/498423872.db2.gz QCPZNHJCUUUMAA-BEFAXECRSA-N 1 3 357.523 3.165 20 0 FGADHO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000361785049 498431657 /nfs/dbraw/zinc/43/16/57/498431657.db2.gz RDKJJNRZPUBEPU-SFHVURJKSA-N 1 3 367.497 3.076 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662033 506039526 /nfs/dbraw/zinc/03/95/26/506039526.db2.gz PYDAERLGMCSLSI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662033 506039530 /nfs/dbraw/zinc/03/95/30/506039530.db2.gz PYDAERLGMCSLSI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662033 506039533 /nfs/dbraw/zinc/03/95/33/506039533.db2.gz PYDAERLGMCSLSI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662034 506039602 /nfs/dbraw/zinc/03/96/02/506039602.db2.gz PYDAERLGMCSLSI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662034 506039606 /nfs/dbraw/zinc/03/96/06/506039606.db2.gz PYDAERLGMCSLSI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581662034 506039610 /nfs/dbraw/zinc/03/96/10/506039610.db2.gz PYDAERLGMCSLSI-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000290192129 498459146 /nfs/dbraw/zinc/45/91/46/498459146.db2.gz FZKXOLVUANPPJE-PXNSSMCTSA-N 1 3 370.468 3.178 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000290192129 498459149 /nfs/dbraw/zinc/45/91/49/498459149.db2.gz FZKXOLVUANPPJE-PXNSSMCTSA-N 1 3 370.468 3.178 20 0 FGADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282516558 498542409 /nfs/dbraw/zinc/54/24/09/498542409.db2.gz ZJDUMNJBLYLPCS-GOSISDBHSA-N 1 3 374.573 3.143 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000287042840 498603705 /nfs/dbraw/zinc/60/37/05/498603705.db2.gz IXLYJIDQOMXKBT-NQIIRXRSSA-N 1 3 355.526 3.371 20 0 FGADHO CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287117034 498634725 /nfs/dbraw/zinc/63/47/25/498634725.db2.gz LRPMOMHQKDVHLV-JGUMPVPUSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287117034 498634728 /nfs/dbraw/zinc/63/47/28/498634728.db2.gz LRPMOMHQKDVHLV-JGUMPVPUSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000302959681 498635248 /nfs/dbraw/zinc/63/52/48/498635248.db2.gz FUVKUXWZVYJIGW-MOPGFXCFSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000302959681 498635254 /nfs/dbraw/zinc/63/52/54/498635254.db2.gz FUVKUXWZVYJIGW-MOPGFXCFSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298046132 498649067 /nfs/dbraw/zinc/64/90/67/498649067.db2.gz IBFPQUSDUUMSQR-APWZRJJASA-N 1 3 374.529 3.286 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000581824493 506068296 /nfs/dbraw/zinc/06/82/96/506068296.db2.gz MULHUJFFPFNEEX-OLZOCXBDSA-N 1 3 368.909 3.060 20 0 FGADHO CN1CCC(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000294472036 498703615 /nfs/dbraw/zinc/70/36/15/498703615.db2.gz IREPAIQFLYVYSZ-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO FC(F)(F)c1ccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000581884874 506082229 /nfs/dbraw/zinc/08/22/29/506082229.db2.gz KDSXEYFKMKNQOD-OKILXGFUSA-N 1 3 366.387 3.187 20 0 FGADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987827 498746245 /nfs/dbraw/zinc/74/62/45/498746245.db2.gz USVWJPFLBLFAAI-OAQYLSRUSA-N 1 3 367.541 3.169 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366088530 498769249 /nfs/dbraw/zinc/76/92/49/498769249.db2.gz JJUWAWXORPHFQK-MJGOQNOKSA-N 1 3 356.514 3.177 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 ZINC000291113145 498801491 /nfs/dbraw/zinc/80/14/91/498801491.db2.gz KOIBLAPAZFMQTC-RLLPEYFOSA-N 1 3 371.569 3.007 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000579118613 506098273 /nfs/dbraw/zinc/09/82/73/506098273.db2.gz GCLIGOHELBHJRN-UHFFFAOYSA-N 1 3 351.494 3.031 20 0 FGADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326773 498876526 /nfs/dbraw/zinc/87/65/26/498876526.db2.gz FTOLKAHZQXASPJ-IHPCNDPISA-N 1 3 371.912 3.019 20 0 FGADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326773 498876534 /nfs/dbraw/zinc/87/65/34/498876534.db2.gz FTOLKAHZQXASPJ-IHPCNDPISA-N 1 3 371.912 3.019 20 0 FGADHO CCOc1ccccc1CNCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363659905 498929004 /nfs/dbraw/zinc/92/90/04/498929004.db2.gz BZKWGIKMMAVJJF-UHFFFAOYSA-N 1 3 359.558 3.371 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3ccc(F)cc3F)CC2)CC1 ZINC000363660216 498929490 /nfs/dbraw/zinc/92/94/90/498929490.db2.gz CZNZIUYAKJFYGN-UHFFFAOYSA-N 1 3 351.485 3.251 20 0 FGADHO C[N@@H+]1CC[C@]2(CCN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967730 /nfs/dbraw/zinc/96/77/30/498967730.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CC[C@]2(CCN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967735 /nfs/dbraw/zinc/96/77/35/498967735.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 1 3 351.535 3.051 20 0 FGADHO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CCC2 ZINC000363754340 498976744 /nfs/dbraw/zinc/97/67/44/498976744.db2.gz BNTIMAJVLJUHHD-HKUYNNGSSA-N 1 3 356.514 3.360 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000582056892 506123406 /nfs/dbraw/zinc/12/34/06/506123406.db2.gz ZITKQWLEGHGXMM-HIFRSBDPSA-N 1 3 368.319 3.064 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782135 498989709 /nfs/dbraw/zinc/98/97/09/498989709.db2.gz GWBJPOYDVNPCMV-GMBSWORKSA-N 1 3 368.510 3.067 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782135 498989713 /nfs/dbraw/zinc/98/97/13/498989713.db2.gz GWBJPOYDVNPCMV-GMBSWORKSA-N 1 3 368.510 3.067 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CNC4)CC2)CC1 ZINC000333360260 498992094 /nfs/dbraw/zinc/99/20/94/498992094.db2.gz SRKWOENZNDQHOJ-UHFFFAOYSA-N 1 3 356.514 3.454 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000299250545 499006794 /nfs/dbraw/zinc/00/67/94/499006794.db2.gz BOEUFMOLEYWERL-UHFFFAOYSA-N 1 3 357.542 3.278 20 0 FGADHO CN1CCC([N@@H+]2CC[C@@H](N[C@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829939 499015285 /nfs/dbraw/zinc/01/52/85/499015285.db2.gz UOQIXXCSHCMAEE-DENIHFKCSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@@H](N[C@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829939 499015290 /nfs/dbraw/zinc/01/52/90/499015290.db2.gz UOQIXXCSHCMAEE-DENIHFKCSA-N 1 3 368.500 3.068 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CCN([C@@H]4CCC[C@H](C)C4)CC3)O2)n1 ZINC000333528727 499024734 /nfs/dbraw/zinc/02/47/34/499024734.db2.gz XRVUAJIDMVSBQS-PIKADFDJSA-N 1 3 362.518 3.231 20 0 FGADHO CC(=O)Nc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000363892114 499042688 /nfs/dbraw/zinc/04/26/88/499042688.db2.gz WJKNTEJUSFDDLA-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO CC(=O)Nc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000363892114 499042696 /nfs/dbraw/zinc/04/26/96/499042696.db2.gz WJKNTEJUSFDDLA-UHFFFAOYSA-N 1 3 352.482 3.388 20 0 FGADHO CCc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000367059950 499141760 /nfs/dbraw/zinc/14/17/60/499141760.db2.gz MQGVCHRUUFRDKU-UTKZUKDTSA-N 1 3 352.526 3.259 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245511 499167499 /nfs/dbraw/zinc/16/74/99/499167499.db2.gz YBTQODBBEYMPRZ-IBGZPJMESA-N 1 3 365.512 3.245 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245511 499167502 /nfs/dbraw/zinc/16/75/02/499167502.db2.gz YBTQODBBEYMPRZ-IBGZPJMESA-N 1 3 365.512 3.245 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367343276 499185227 /nfs/dbraw/zinc/18/52/27/499185227.db2.gz MOGNOYCQFOKPQE-UHFFFAOYSA-N 1 3 353.514 3.192 20 0 FGADHO C(CN1CCCCC1)C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000372905984 499192745 /nfs/dbraw/zinc/19/27/45/499192745.db2.gz ZDCUFQPWRQZMHK-IBGZPJMESA-N 1 3 371.573 3.450 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300072 499207108 /nfs/dbraw/zinc/20/71/08/499207108.db2.gz HYGAPDSBOFXYBV-YQQAZPJKSA-N 1 3 366.575 3.016 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367621765 499219047 /nfs/dbraw/zinc/21/90/47/499219047.db2.gz TVTKLVMMYUSSCN-ZMSDIMECSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367621765 499219048 /nfs/dbraw/zinc/21/90/48/499219048.db2.gz TVTKLVMMYUSSCN-ZMSDIMECSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000370669938 499242447 /nfs/dbraw/zinc/24/24/47/499242447.db2.gz SWEWNPBHMVMPKV-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO Fc1cc(F)cc(C2CC(NC3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000368586734 499310790 /nfs/dbraw/zinc/31/07/90/499310790.db2.gz YYIUXSPNYBBKCC-GPWPYBQESA-N 1 3 350.453 3.301 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329858 499311135 /nfs/dbraw/zinc/31/11/35/499311135.db2.gz OPRUVDUVMIRKOE-XLIONFOSSA-N 1 3 369.509 3.208 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329858 499311136 /nfs/dbraw/zinc/31/11/36/499311136.db2.gz OPRUVDUVMIRKOE-XLIONFOSSA-N 1 3 369.509 3.208 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000369062957 499361751 /nfs/dbraw/zinc/36/17/51/499361751.db2.gz IOEUBRDIMIEQAO-VAMGGRTRSA-N 1 3 356.558 3.174 20 0 FGADHO COc1ccc(C[C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000369106850 499366024 /nfs/dbraw/zinc/36/60/24/499366024.db2.gz MJUBRBPGAHLNNT-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO COc1ccc(C[C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1 ZINC000369106850 499366025 /nfs/dbraw/zinc/36/60/25/499366025.db2.gz MJUBRBPGAHLNNT-OAQYLSRUSA-N 1 3 359.558 3.118 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983854 499386819 /nfs/dbraw/zinc/38/68/19/499386819.db2.gz KFKXQDYSVCITEH-JRGCBEDISA-N 1 3 373.541 3.404 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983854 499386821 /nfs/dbraw/zinc/38/68/21/499386821.db2.gz KFKXQDYSVCITEH-JRGCBEDISA-N 1 3 373.541 3.404 20 0 FGADHO c1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)ccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000369541907 499415105 /nfs/dbraw/zinc/41/51/05/499415105.db2.gz QQTFHKICVWQDRN-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO c1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)ccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000369541907 499415106 /nfs/dbraw/zinc/41/51/06/499415106.db2.gz QQTFHKICVWQDRN-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000372436582 499434563 /nfs/dbraw/zinc/43/45/63/499434563.db2.gz UIXSZKNVXBKOAS-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157253 499454312 /nfs/dbraw/zinc/45/43/12/499454312.db2.gz ZJERWQSOLDAMKE-AYOQOUSVSA-N 1 3 368.468 3.310 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cccc(OCC(F)F)c1 ZINC000373157253 499454313 /nfs/dbraw/zinc/45/43/13/499454313.db2.gz ZJERWQSOLDAMKE-AYOQOUSVSA-N 1 3 368.468 3.310 20 0 FGADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC2CC[NH+](C(C)(C)C)CC2)oc1C ZINC000373385412 499466784 /nfs/dbraw/zinc/46/67/84/499466784.db2.gz PPPVYBKKFQFMBD-WMZOPIPTSA-N 1 3 366.525 3.056 20 0 FGADHO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)oc1C ZINC000373385412 499466785 /nfs/dbraw/zinc/46/67/85/499466785.db2.gz PPPVYBKKFQFMBD-WMZOPIPTSA-N 1 3 366.525 3.056 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632560 499541883 /nfs/dbraw/zinc/54/18/83/499541883.db2.gz SQKUUAPJMAPZHL-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632560 499541884 /nfs/dbraw/zinc/54/18/84/499541884.db2.gz SQKUUAPJMAPZHL-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062421 499566057 /nfs/dbraw/zinc/56/60/57/499566057.db2.gz MUBRXCRTUPZJKK-QUCCMNQESA-N 1 3 357.542 3.313 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000377348711 499681871 /nfs/dbraw/zinc/68/18/71/499681871.db2.gz BPEJVAFOYSKXTJ-HXUWFJFHSA-N 1 3 351.494 3.095 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000377348711 499681873 /nfs/dbraw/zinc/68/18/73/499681873.db2.gz BPEJVAFOYSKXTJ-HXUWFJFHSA-N 1 3 351.494 3.095 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000377348708 499681985 /nfs/dbraw/zinc/68/19/85/499681985.db2.gz BPEJVAFOYSKXTJ-FQEVSTJZSA-N 1 3 351.494 3.095 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000377348708 499681987 /nfs/dbraw/zinc/68/19/87/499681987.db2.gz BPEJVAFOYSKXTJ-FQEVSTJZSA-N 1 3 351.494 3.095 20 0 FGADHO COc1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000377362081 499683340 /nfs/dbraw/zinc/68/33/40/499683340.db2.gz ZUMHBGPLAGFBAS-JOCHJYFZSA-N 1 3 370.493 3.411 20 0 FGADHO CCCNC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411126948 499700837 /nfs/dbraw/zinc/70/08/37/499700837.db2.gz AZDKKNFYIJKPQW-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626792 499712735 /nfs/dbraw/zinc/71/27/35/499712735.db2.gz MQMZPQNQPHKNEA-QHCPKHFHSA-N 1 3 364.537 3.349 20 0 FGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626792 499712737 /nfs/dbraw/zinc/71/27/37/499712737.db2.gz MQMZPQNQPHKNEA-QHCPKHFHSA-N 1 3 364.537 3.349 20 0 FGADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000377648091 499715233 /nfs/dbraw/zinc/71/52/33/499715233.db2.gz KSZPUBDJWWJMRE-QGZVFWFLSA-N 1 3 374.525 3.484 20 0 FGADHO C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000377648091 499715235 /nfs/dbraw/zinc/71/52/35/499715235.db2.gz KSZPUBDJWWJMRE-QGZVFWFLSA-N 1 3 374.525 3.484 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414168863 499765502 /nfs/dbraw/zinc/76/55/02/499765502.db2.gz VAJQIEIYROLPOE-RBUKOAKNSA-N 1 3 363.546 3.484 20 0 FGADHO CN(CCCNC(=O)C1CCC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411636991 499771598 /nfs/dbraw/zinc/77/15/98/499771598.db2.gz PUQWEGVOVXPSBK-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO Cc1nc2c(s1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000414310958 499776529 /nfs/dbraw/zinc/77/65/29/499776529.db2.gz ULQDFVLBYBJCBY-GOSISDBHSA-N 1 3 371.550 3.446 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414322544 499777722 /nfs/dbraw/zinc/77/77/22/499777722.db2.gz GZASDKCOOYHFEJ-QGZVFWFLSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@H]1C ZINC000414344402 499779754 /nfs/dbraw/zinc/77/97/54/499779754.db2.gz RLRIYMYKCUNGBK-CBGDNZLLSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CCCN(C)CC[NH+](C)C ZINC000411734014 499784329 /nfs/dbraw/zinc/78/43/29/499784329.db2.gz HIURPIDNCMMELV-HNNXBMFYSA-N 1 3 367.488 3.308 20 0 FGADHO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411744544 499785448 /nfs/dbraw/zinc/78/54/48/499785448.db2.gz UHDJSRLISPYGNI-HXUWFJFHSA-N 1 3 357.542 3.411 20 0 FGADHO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411744544 499785449 /nfs/dbraw/zinc/78/54/49/499785449.db2.gz UHDJSRLISPYGNI-HXUWFJFHSA-N 1 3 357.542 3.411 20 0 FGADHO CC(=O)NCC[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744544 499785451 /nfs/dbraw/zinc/78/54/51/499785451.db2.gz UHDJSRLISPYGNI-HXUWFJFHSA-N 1 3 357.542 3.411 20 0 FGADHO C[C@@H]1C[C@@H](CN2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731574 499824141 /nfs/dbraw/zinc/82/41/41/499824141.db2.gz HZYBXGJHLOKSFS-KGLIPLIRSA-N 1 3 372.376 3.016 20 0 FGADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747867 499826238 /nfs/dbraw/zinc/82/62/38/499826238.db2.gz NIFYZVBFJKASFH-JKIFEVAISA-N 1 3 353.304 3.211 20 0 FGADHO Cc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777420 499829960 /nfs/dbraw/zinc/82/99/60/499829960.db2.gz FHQAGIAUMWAUOM-MRXNPFEDSA-N 1 3 354.441 3.092 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414799160 499832490 /nfs/dbraw/zinc/83/24/90/499832490.db2.gz JUIFRUTYDDBAOS-XJKCOSOUSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799160 499832491 /nfs/dbraw/zinc/83/24/91/499832491.db2.gz JUIFRUTYDDBAOS-XJKCOSOUSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000414802035 499832912 /nfs/dbraw/zinc/83/29/12/499832912.db2.gz AYSRAWYJHPBARG-AWEZNQCLSA-N 1 3 364.449 3.157 20 0 FGADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813841 499833749 /nfs/dbraw/zinc/83/37/49/499833749.db2.gz MZSIJLZCSXZPPD-DOMZBBRYSA-N 1 3 356.308 3.273 20 0 FGADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819774 499834499 /nfs/dbraw/zinc/83/44/99/499834499.db2.gz ZQNXVCJZUVKHTJ-CABCVRRESA-N 1 3 371.481 3.230 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858885 499838673 /nfs/dbraw/zinc/83/86/73/499838673.db2.gz STPOBXPVJZYQNY-MGPQQGTHSA-N 1 3 357.420 3.400 20 0 FGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c(OC)c1 ZINC000414861677 499838750 /nfs/dbraw/zinc/83/87/50/499838750.db2.gz SUXMGFIEYNZFSM-HNNXBMFYSA-N 1 3 363.502 3.062 20 0 FGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c(OC)c1 ZINC000414861678 499838980 /nfs/dbraw/zinc/83/89/80/499838980.db2.gz SUXMGFIEYNZFSM-OAHLLOKOSA-N 1 3 363.502 3.062 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414902224 499843412 /nfs/dbraw/zinc/84/34/12/499843412.db2.gz GYGWWULQSFIPIP-FZKQIMNGSA-N 1 3 353.894 3.045 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902224 499843414 /nfs/dbraw/zinc/84/34/14/499843414.db2.gz GYGWWULQSFIPIP-FZKQIMNGSA-N 1 3 353.894 3.045 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414920474 499844677 /nfs/dbraw/zinc/84/46/77/499844677.db2.gz ZLVKSOANFHAATL-KXBFYZLASA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920474 499844679 /nfs/dbraw/zinc/84/46/79/499844679.db2.gz ZLVKSOANFHAATL-KXBFYZLASA-N 1 3 351.922 3.056 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115137 499865454 /nfs/dbraw/zinc/86/54/54/499865454.db2.gz WHLNXYOTFBXSDC-IEBWSBKVSA-N 1 3 354.441 3.049 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116387 499865686 /nfs/dbraw/zinc/86/56/86/499865686.db2.gz YAKVQEAINUJMDC-FUHWJXTLSA-N 1 3 372.431 3.346 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312423 499885603 /nfs/dbraw/zinc/88/56/03/499885603.db2.gz SPYQTPUOYUDOEA-GOSISDBHSA-N 1 3 362.518 3.046 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(c2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413188807 499924342 /nfs/dbraw/zinc/92/43/42/499924342.db2.gz XWBLHTIHEFOASC-INIZCTEOSA-N 1 3 373.497 3.189 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000413193531 499925154 /nfs/dbraw/zinc/92/51/54/499925154.db2.gz AMFJWUJXDXPWBQ-MOPGFXCFSA-N 1 3 364.578 3.059 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000415917878 499928173 /nfs/dbraw/zinc/92/81/73/499928173.db2.gz JTRBXJZDWFTEDG-JXFKEZNVSA-N 1 3 352.482 3.363 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201214 499979627 /nfs/dbraw/zinc/97/96/27/499979627.db2.gz RKAWZEHNVOGROD-DSKINZAPSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201214 499979631 /nfs/dbraw/zinc/97/96/31/499979631.db2.gz RKAWZEHNVOGROD-DSKINZAPSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000417215832 500007323 /nfs/dbraw/zinc/00/73/23/500007323.db2.gz NXFKSHWQZRAPQL-WIYYLYMNSA-N 1 3 372.557 3.228 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000421364963 500027224 /nfs/dbraw/zinc/02/72/24/500027224.db2.gz AEEOUEZKWQQRNJ-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO CSC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](CSC)C3)COC2)C1 ZINC000429297025 500046404 /nfs/dbraw/zinc/04/64/04/500046404.db2.gz CLCABYMIRSDZIA-QZTJIDSGSA-N 1 3 372.644 3.153 20 0 FGADHO CSC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](CSC)C3)COC2)C1 ZINC000429297025 500046406 /nfs/dbraw/zinc/04/64/06/500046406.db2.gz CLCABYMIRSDZIA-QZTJIDSGSA-N 1 3 372.644 3.153 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000416791202 500121490 /nfs/dbraw/zinc/12/14/90/500121490.db2.gz WAALPXYIBXOSIA-UWJYYQICSA-N 1 3 366.509 3.343 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccccc1)N(CC)CC)C1CC[NH2+]CC1 ZINC000416842172 500135593 /nfs/dbraw/zinc/13/55/93/500135593.db2.gz MTDINIIUXXAVTG-HXUWFJFHSA-N 1 3 360.546 3.243 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416873288 500144998 /nfs/dbraw/zinc/14/49/98/500144998.db2.gz NBRHPNOYUKWATB-NRFANRHFSA-N 1 3 368.525 3.261 20 0 FGADHO Clc1cccc(-c2noc(CCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455044 506178931 /nfs/dbraw/zinc/17/89/31/506178931.db2.gz NWGJCATYCXLBHL-RDJZCZTQSA-N 1 3 360.889 3.397 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833823 500180741 /nfs/dbraw/zinc/18/07/41/500180741.db2.gz UWGMTOLRNMWWAW-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872087 500188213 /nfs/dbraw/zinc/18/82/13/500188213.db2.gz IIEAVLCFRRRVPY-DYESRHJHSA-N 1 3 368.525 3.117 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872087 500188216 /nfs/dbraw/zinc/18/82/16/500188216.db2.gz IIEAVLCFRRRVPY-DYESRHJHSA-N 1 3 368.525 3.117 20 0 FGADHO C[C@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044851 500219975 /nfs/dbraw/zinc/21/99/75/500219975.db2.gz NLHJKCYDZORMOV-RBBKRZOGSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044851 500219977 /nfs/dbraw/zinc/21/99/77/500219977.db2.gz NLHJKCYDZORMOV-RBBKRZOGSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422172837 500226754 /nfs/dbraw/zinc/22/67/54/500226754.db2.gz XOPPXCLPLJMRNY-IPJUCJBFSA-N 1 3 360.546 3.288 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188961 500245893 /nfs/dbraw/zinc/24/58/93/500245893.db2.gz VBUWOQJKUCQJAX-BMGDILEWSA-N 1 3 366.937 3.163 20 0 FGADHO [NH3+]CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430616466 500262412 /nfs/dbraw/zinc/26/24/12/500262412.db2.gz FNRGQMHWEZNMEG-QGZVFWFLSA-N 1 3 370.324 3.328 20 0 FGADHO Cc1nc2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2s1 ZINC000426422821 500271235 /nfs/dbraw/zinc/27/12/35/500271235.db2.gz YCCSFSBOQXDYSX-DNVCBOLYSA-N 1 3 358.555 3.063 20 0 FGADHO Cc1nc2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2s1 ZINC000426422821 500271237 /nfs/dbraw/zinc/27/12/37/500271237.db2.gz YCCSFSBOQXDYSX-DNVCBOLYSA-N 1 3 358.555 3.063 20 0 FGADHO NC[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000418394076 500271708 /nfs/dbraw/zinc/27/17/08/500271708.db2.gz XJZFRLFFJXIWIM-PMACEKPBSA-N 1 3 354.498 3.046 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418407834 500273060 /nfs/dbraw/zinc/27/30/60/500273060.db2.gz MDCVTXZCUDKRMQ-CWJKEVGVSA-N 1 3 372.557 3.198 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000418488874 500282655 /nfs/dbraw/zinc/28/26/55/500282655.db2.gz KYIREYFDWVHAGK-LAUBAEHRSA-N 1 3 366.509 3.122 20 0 FGADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418512978 500286780 /nfs/dbraw/zinc/28/67/80/500286780.db2.gz FOMPYCRHWDAWDO-KAGYGMCKSA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)cc1 ZINC000422752472 500294031 /nfs/dbraw/zinc/29/40/31/500294031.db2.gz HDICBXCKBTZEBD-ZHRRBRCNSA-N 1 3 368.525 3.345 20 0 FGADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422756781 500294625 /nfs/dbraw/zinc/29/46/25/500294625.db2.gz IAMCQOODBFTMHQ-MWDXBVQZSA-N 1 3 365.468 3.377 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418602543 500296232 /nfs/dbraw/zinc/29/62/32/500296232.db2.gz VUOBBTZYDYXNML-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418653427 500301115 /nfs/dbraw/zinc/30/11/15/500301115.db2.gz AMFDJFZSQRRGLU-IBGZPJMESA-N 1 3 360.546 3.230 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cnccc3N)CC2)c1 ZINC000422809645 500301397 /nfs/dbraw/zinc/30/13/97/500301397.db2.gz MKDCYMXEYMKKEK-LJQANCHMSA-N 1 3 367.541 3.056 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418687593 500308064 /nfs/dbraw/zinc/30/80/64/500308064.db2.gz DNJBEGCUPJRDEN-WSTZPKSXSA-N 1 3 360.546 3.198 20 0 FGADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885240 500311070 /nfs/dbraw/zinc/31/10/70/500311070.db2.gz GOHBUSBNDFSGSE-QXAKKESOSA-N 1 3 362.514 3.155 20 0 FGADHO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCOCC2)cc1 ZINC000422895145 500312616 /nfs/dbraw/zinc/31/26/16/500312616.db2.gz FDEKYHLZSSEQQR-INIZCTEOSA-N 1 3 369.509 3.256 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900426 500313744 /nfs/dbraw/zinc/31/37/44/500313744.db2.gz QKSXYHSJJXQKRT-RVKKMQEKSA-N 1 3 366.347 3.253 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422906868 500314637 /nfs/dbraw/zinc/31/46/37/500314637.db2.gz VXYZFYQMHVUWER-DOTOQJQBSA-N 1 3 354.498 3.034 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905396 500314941 /nfs/dbraw/zinc/31/49/41/500314941.db2.gz IGPVWGXKXWTYOP-CECAUBDESA-N 1 3 373.491 3.477 20 0 FGADHO CN(C)CCOc1cccc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913004 500315160 /nfs/dbraw/zinc/31/51/60/500315160.db2.gz OUARJIPISMJGQQ-UNMCSNQZSA-N 1 3 367.493 3.295 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916280 500316508 /nfs/dbraw/zinc/31/65/08/500316508.db2.gz DFJRVIYQJGYABN-FCHUYYIVSA-N 1 3 350.510 3.381 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915282 500316530 /nfs/dbraw/zinc/31/65/30/500316530.db2.gz APVCFNKVJAVHQE-BHDDXSALSA-N 1 3 356.558 3.157 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422927759 500318369 /nfs/dbraw/zinc/31/83/69/500318369.db2.gz GZFQEOOLNLUAMX-MRXNPFEDSA-N 1 3 366.509 3.326 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000426778686 500319607 /nfs/dbraw/zinc/31/96/07/500319607.db2.gz ZWOYJTORDGCGJP-QZTJIDSGSA-N 1 3 364.505 3.416 20 0 FGADHO Clc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422937748 500319643 /nfs/dbraw/zinc/31/96/43/500319643.db2.gz OOIDXBYUHZZLFV-GUDVDZBRSA-N 1 3 352.906 3.246 20 0 FGADHO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)cc(Br)c1OC ZINC000422947705 500321592 /nfs/dbraw/zinc/32/15/92/500321592.db2.gz QZKMJOXUIDOUIM-KGLIPLIRSA-N 1 3 357.292 3.216 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCNc1cccc(Br)c1 ZINC000422961176 500323866 /nfs/dbraw/zinc/32/38/66/500323866.db2.gz AYVXQSXBIBZGLS-GFCCVEGCSA-N 1 3 363.303 3.374 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(OCCOc2ccccc2)nc1 ZINC000422971507 500325535 /nfs/dbraw/zinc/32/55/35/500325535.db2.gz IUWUFCYQHNGGDE-UYAOXDASSA-N 1 3 355.482 3.147 20 0 FGADHO CN1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021241 500331806 /nfs/dbraw/zinc/33/18/06/500331806.db2.gz DTLYNFSVZFCAJE-OOCLLEHJSA-N 1 3 351.897 3.345 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423028386 500333089 /nfs/dbraw/zinc/33/30/89/500333089.db2.gz GJFFUIHOTXMZGT-BBRMVZONSA-N 1 3 355.320 3.368 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423044383 500334387 /nfs/dbraw/zinc/33/43/87/500334387.db2.gz AKWANZXEGIECGO-ZBFHGGJFSA-N 1 3 359.436 3.466 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423063276 500337418 /nfs/dbraw/zinc/33/74/18/500337418.db2.gz ONLOFOFCJRHQDQ-OFAXGOBFSA-N 1 3 351.538 3.445 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088083 500340594 /nfs/dbraw/zinc/34/05/94/500340594.db2.gz PKDVDBBGMZRMLA-UNEWFSDZSA-N 1 3 352.320 3.006 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088080 500340701 /nfs/dbraw/zinc/34/07/01/500340701.db2.gz PKDVDBBGMZRMLA-FRFSOERESA-N 1 3 352.320 3.006 20 0 FGADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N(CC)CC)cc1 ZINC000423137841 500347095 /nfs/dbraw/zinc/34/70/95/500347095.db2.gz XAUUPLFYDJQHSZ-GPJHCHHRSA-N 1 3 373.585 3.379 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154051 500349289 /nfs/dbraw/zinc/34/92/89/500349289.db2.gz IOVKQKSMGULPKS-FZMZJTMJSA-N 1 3 370.415 3.002 20 0 FGADHO CCc1ccc([C@@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423333708 500364777 /nfs/dbraw/zinc/36/47/77/500364777.db2.gz SCVQSRBPLCIOPQ-HXUWFJFHSA-N 1 3 360.523 3.070 20 0 FGADHO CC(C)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391013 500369711 /nfs/dbraw/zinc/36/97/11/500369711.db2.gz OYOSDJUXEDOZHS-HZPDHXFCSA-N 1 3 365.390 3.088 20 0 FGADHO COCC1(CN[C@H](C)c2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000423407200 500371115 /nfs/dbraw/zinc/37/11/15/500371115.db2.gz LXQQWYZQJPIHPB-GFCCVEGCSA-N 1 3 359.283 3.255 20 0 FGADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423481934 500378171 /nfs/dbraw/zinc/37/81/71/500378171.db2.gz XDGYXNYCUDYPPJ-MBKANNOKSA-N 1 3 362.489 3.086 20 0 FGADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332807 500382357 /nfs/dbraw/zinc/38/23/57/500382357.db2.gz VNFWUOKYMWXHQE-REWPJTCUSA-N 1 3 369.553 3.281 20 0 FGADHO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCCN(C)C)cc1 ZINC000423529655 500383317 /nfs/dbraw/zinc/38/33/17/500383317.db2.gz QFLRFHFLEYEWEH-WZCXMZMXSA-N 1 3 371.569 3.431 20 0 FGADHO COc1cccc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000423578406 500386085 /nfs/dbraw/zinc/38/60/85/500386085.db2.gz UMQOFYKARWPFCZ-GOSISDBHSA-N 1 3 353.510 3.339 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000423625636 500390621 /nfs/dbraw/zinc/39/06/21/500390621.db2.gz RHEKKNLEKSMXSW-UHFFFAOYSA-N 1 3 351.372 3.478 20 0 FGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423753283 500399353 /nfs/dbraw/zinc/39/93/53/500399353.db2.gz XDGFYTVMEJXUOT-UNMCSNQZSA-N 1 3 357.542 3.061 20 0 FGADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000431763811 500421374 /nfs/dbraw/zinc/42/13/74/500421374.db2.gz XJURVKHHIKBGSY-OAQYLSRUSA-N 1 3 373.541 3.040 20 0 FGADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1 ZINC000431763811 500421379 /nfs/dbraw/zinc/42/13/79/500421379.db2.gz XJURVKHHIKBGSY-OAQYLSRUSA-N 1 3 373.541 3.040 20 0 FGADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000431763811 500421382 /nfs/dbraw/zinc/42/13/82/500421382.db2.gz XJURVKHHIKBGSY-OAQYLSRUSA-N 1 3 373.541 3.040 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293760 500435291 /nfs/dbraw/zinc/43/52/91/500435291.db2.gz AJXWBSNSGAWYCJ-NFBKMPQASA-N 1 3 368.521 3.500 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296761 500436195 /nfs/dbraw/zinc/43/61/95/500436195.db2.gz DTZDRWFBVBKCFO-GCJKJVERSA-N 1 3 365.521 3.424 20 0 FGADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420319977 500441114 /nfs/dbraw/zinc/44/11/14/500441114.db2.gz PUEKPSJIGNHHDJ-VQTJNVASSA-N 1 3 359.539 3.307 20 0 FGADHO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330880 500443264 /nfs/dbraw/zinc/44/32/64/500443264.db2.gz IHEPZQMFTZXLCE-UPJWGTAASA-N 1 3 356.297 3.252 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335007 500443830 /nfs/dbraw/zinc/44/38/30/500443830.db2.gz HAMYLCNKWNJHDH-SFTDATJTSA-N 1 3 357.542 3.055 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337949 500444224 /nfs/dbraw/zinc/44/42/24/500444224.db2.gz XLOPQOAHUQJNPL-ZFWWWQNUSA-N 1 3 358.404 3.334 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420394127 500454892 /nfs/dbraw/zinc/45/48/92/500454892.db2.gz RDYZPYGFDQDWQO-WIYYLYMNSA-N 1 3 362.514 3.073 20 0 FGADHO C[C@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400151 500455277 /nfs/dbraw/zinc/45/52/77/500455277.db2.gz IJEATHPHJPYQKL-GHTZIAJQSA-N 1 3 365.521 3.199 20 0 FGADHO C[C@H]1CC2(CN1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287030 500481483 /nfs/dbraw/zinc/48/14/83/500481483.db2.gz IFDGZFLLFPDBCT-GUYCJALGSA-N 1 3 365.880 3.048 20 0 FGADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297563 500483315 /nfs/dbraw/zinc/48/33/15/500483315.db2.gz SXUMLTSEGJHPIE-NVXWUHKLSA-N 1 3 361.555 3.048 20 0 FGADHO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428235387 500484631 /nfs/dbraw/zinc/48/46/31/500484631.db2.gz CNIUTZCTRAUMIF-FDFHNCONSA-N 1 3 369.553 3.279 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428468170 500513873 /nfs/dbraw/zinc/51/38/73/500513873.db2.gz MRAQUJPIXHLHDF-QFIPXVFZSA-N 1 3 359.558 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428468170 500513877 /nfs/dbraw/zinc/51/38/77/500513877.db2.gz MRAQUJPIXHLHDF-QFIPXVFZSA-N 1 3 359.558 3.203 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420979262 500546657 /nfs/dbraw/zinc/54/66/57/500546657.db2.gz KCXGGWCESXMCPI-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420979262 500546659 /nfs/dbraw/zinc/54/66/59/500546659.db2.gz KCXGGWCESXMCPI-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420979262 500546660 /nfs/dbraw/zinc/54/66/60/500546660.db2.gz KCXGGWCESXMCPI-UHFFFAOYSA-N 1 3 367.484 3.280 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000442993965 500660379 /nfs/dbraw/zinc/66/03/79/500660379.db2.gz STUNIBLVNWZMHX-UHFFFAOYSA-N 1 3 371.447 3.046 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232190 500699124 /nfs/dbraw/zinc/69/91/24/500699124.db2.gz BAKJBCHQSMUBPQ-WBVHZDCISA-N 1 3 368.591 3.407 20 0 FGADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000438090712 500736725 /nfs/dbraw/zinc/73/67/25/500736725.db2.gz VNUGJKWNGHZQST-GOSISDBHSA-N 1 3 355.501 3.294 20 0 FGADHO c1cc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000438119545 500740896 /nfs/dbraw/zinc/74/08/96/500740896.db2.gz PSHPYDLWSQXARV-UHFFFAOYSA-N 1 3 360.527 3.215 20 0 FGADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644686 500748638 /nfs/dbraw/zinc/74/86/38/500748638.db2.gz AASLIKBWPPXGOQ-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103813 500925651 /nfs/dbraw/zinc/92/56/51/500925651.db2.gz CFCGFJNFHZHKOY-CQSZACIVSA-N 1 3 358.267 3.113 20 0 FGADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnc(-c2ccccc2F)s1 ZINC000449149199 500935408 /nfs/dbraw/zinc/93/54/08/500935408.db2.gz MNGNPDWWGZGMNT-OAHLLOKOSA-N 1 3 363.502 3.276 20 0 FGADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnc(-c2ccccc2F)s1 ZINC000449149199 500935409 /nfs/dbraw/zinc/93/54/09/500935409.db2.gz MNGNPDWWGZGMNT-OAHLLOKOSA-N 1 3 363.502 3.276 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215204 500949720 /nfs/dbraw/zinc/94/97/20/500949720.db2.gz NDIFTGIFXNADDY-DENIHFKCSA-N 1 3 364.537 3.346 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233772 500954027 /nfs/dbraw/zinc/95/40/27/500954027.db2.gz MZIIQRDZJRQHDX-BTYIYWSLSA-N 1 3 360.448 3.425 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000449237875 500954398 /nfs/dbraw/zinc/95/43/98/500954398.db2.gz PFBKUQBUSWSBMC-XSEFMFLKSA-N 1 3 372.553 3.398 20 0 FGADHO COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OCc1cccnc1 ZINC000435376062 500962920 /nfs/dbraw/zinc/96/29/20/500962920.db2.gz PGOLDNYSVLKBFQ-MRXNPFEDSA-N 1 3 355.482 3.228 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345413 500982800 /nfs/dbraw/zinc/98/28/00/500982800.db2.gz VMGATZLOZHPFKK-ZFMNYDKASA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345413 500982803 /nfs/dbraw/zinc/98/28/03/500982803.db2.gz VMGATZLOZHPFKK-ZFMNYDKASA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345413 500982805 /nfs/dbraw/zinc/98/28/05/500982805.db2.gz VMGATZLOZHPFKK-ZFMNYDKASA-N 1 3 358.526 3.071 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449498060 501018697 /nfs/dbraw/zinc/01/86/97/501018697.db2.gz JQRKWWMZHMUJOD-OAQYLSRUSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449498060 501018699 /nfs/dbraw/zinc/01/86/99/501018699.db2.gz JQRKWWMZHMUJOD-OAQYLSRUSA-N 1 3 359.558 3.466 20 0 FGADHO OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1)C1CC1 ZINC000449501461 501019799 /nfs/dbraw/zinc/01/97/99/501019799.db2.gz FNACVFZFPKGJGO-GNJRFXKQSA-N 1 3 354.538 3.284 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4sc5c(c43)CCCC5)C2)CC1 ZINC000602613698 506231145 /nfs/dbraw/zinc/23/11/45/506231145.db2.gz PHBBUNHQHBFNFS-CQSZACIVSA-N 1 3 371.554 3.151 20 0 FGADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000450339778 501094959 /nfs/dbraw/zinc/09/49/59/501094959.db2.gz BTGWUKYRMPARBL-CNNODRBYSA-N 1 3 360.542 3.065 20 0 FGADHO Cc1cccc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)n1 ZINC000436470480 501132866 /nfs/dbraw/zinc/13/28/66/501132866.db2.gz MCCKKRNQPDKXHS-UHFFFAOYSA-N 1 3 351.498 3.012 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000446564644 501134285 /nfs/dbraw/zinc/13/42/85/501134285.db2.gz LOOMBEIBCOLUJM-KRWDZBQOSA-N 1 3 360.546 3.423 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000446564644 501134290 /nfs/dbraw/zinc/13/42/90/501134290.db2.gz LOOMBEIBCOLUJM-KRWDZBQOSA-N 1 3 360.546 3.423 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000446588687 501138341 /nfs/dbraw/zinc/13/83/41/501138341.db2.gz BQYXGHUKOWONBW-UHFFFAOYSA-N 1 3 358.530 3.319 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000446619621 501143176 /nfs/dbraw/zinc/14/31/76/501143176.db2.gz HTZJZRNWCIXOIK-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO CCc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524211 501144693 /nfs/dbraw/zinc/14/46/93/501144693.db2.gz BHVQDGNZFNBISK-JOCHJYFZSA-N 1 3 350.510 3.041 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[NH+]1CCCC1 ZINC000457621548 501270258 /nfs/dbraw/zinc/27/02/58/501270258.db2.gz QCQUSXXRMHUBTG-TZIWHRDSSA-N 1 3 364.578 3.014 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453135139 501276294 /nfs/dbraw/zinc/27/62/94/501276294.db2.gz CWTCVRYUZBHWEQ-OAQYLSRUSA-N 1 3 355.526 3.181 20 0 FGADHO COCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453213265 501292275 /nfs/dbraw/zinc/29/22/75/501292275.db2.gz MHXMGFDNGYZNST-BHDDXSALSA-N 1 3 368.525 3.062 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000458157332 501381174 /nfs/dbraw/zinc/38/11/74/501381174.db2.gz UTYPTSMWCXETDG-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000458157332 501381177 /nfs/dbraw/zinc/38/11/77/501381177.db2.gz UTYPTSMWCXETDG-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000611671566 506251352 /nfs/dbraw/zinc/25/13/52/506251352.db2.gz XIRPXHONDKWJSA-NHCUHLMSSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458338268 501423265 /nfs/dbraw/zinc/42/32/65/501423265.db2.gz HQQYUBHOZWDSBN-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458649120 501498138 /nfs/dbraw/zinc/49/81/38/501498138.db2.gz HCBGWQCNLZZLFY-QGZVFWFLSA-N 1 3 366.575 3.086 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C ZINC000458761503 501525316 /nfs/dbraw/zinc/52/53/16/501525316.db2.gz HAWKPDAQXCXGGJ-PKOBYXMFSA-N 1 3 362.562 3.406 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593434 501586943 /nfs/dbraw/zinc/58/69/43/501586943.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593434 501586944 /nfs/dbraw/zinc/58/69/44/501586944.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459167017 501607049 /nfs/dbraw/zinc/60/70/49/501607049.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459167017 501607052 /nfs/dbraw/zinc/60/70/52/501607052.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459305838 501628448 /nfs/dbraw/zinc/62/84/48/501628448.db2.gz QVMLIXKNRPJPSE-UHFFFAOYSA-N 1 3 354.498 3.403 20 0 FGADHO CC1(C)CCCN1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000457057061 501642336 /nfs/dbraw/zinc/64/23/36/501642336.db2.gz OCNAHWHHMPVOSW-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]C2CCN(C3CC3)CC2)C[C@@H](C)O1 ZINC000459387482 501644540 /nfs/dbraw/zinc/64/45/40/501644540.db2.gz JRJXZOUNKDAOJI-QZTJIDSGSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000459387482 501644542 /nfs/dbraw/zinc/64/45/42/501644542.db2.gz JRJXZOUNKDAOJI-QZTJIDSGSA-N 1 3 357.542 3.012 20 0 FGADHO Fc1cccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000459418634 501650590 /nfs/dbraw/zinc/65/05/90/501650590.db2.gz SNJGOPNMIBTVBD-LJQANCHMSA-N 1 3 354.473 3.448 20 0 FGADHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1I ZINC000459542936 501673135 /nfs/dbraw/zinc/67/31/35/501673135.db2.gz OTQLDDNSNSTXHC-UHFFFAOYSA-N 1 3 370.278 3.316 20 0 FGADHO CO[C@@H]1CN(Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290335 501760429 /nfs/dbraw/zinc/76/04/29/501760429.db2.gz IECUIIULYWIBNO-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CN(Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290335 501760434 /nfs/dbraw/zinc/76/04/34/501760434.db2.gz IECUIIULYWIBNO-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000467358783 501776927 /nfs/dbraw/zinc/77/69/27/501776927.db2.gz MCMJWSCTAMKHBC-AABGKKOBSA-N 1 3 374.573 3.098 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000467368704 501779353 /nfs/dbraw/zinc/77/93/53/501779353.db2.gz IKENFDVQTIEHDN-MAUKXSAKSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000481498265 501792504 /nfs/dbraw/zinc/79/25/04/501792504.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 1 3 371.569 3.450 20 0 FGADHO CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000481498265 501792510 /nfs/dbraw/zinc/79/25/10/501792510.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 1 3 371.569 3.450 20 0 FGADHO CC1CCC(NC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000460347219 501798746 /nfs/dbraw/zinc/79/87/46/501798746.db2.gz BIEYECZMZZMVFR-JMDAGXMHSA-N 1 3 371.569 3.428 20 0 FGADHO Cc1nn(C(C)C)cc1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000467456362 501798768 /nfs/dbraw/zinc/79/87/68/501798768.db2.gz JWVDDELBJROHKS-QZTJIDSGSA-N 1 3 362.562 3.484 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000477884921 501819385 /nfs/dbraw/zinc/81/93/85/501819385.db2.gz VEOUVWFMNUDFOQ-FXAWDEMLSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973649 501917068 /nfs/dbraw/zinc/91/70/68/501917068.db2.gz NUVGLEQACXCKCZ-SFHLNBCPSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000482169291 501996271 /nfs/dbraw/zinc/99/62/71/501996271.db2.gz ZSYZLSJMOABFKS-OALUTQOASA-N 1 3 372.553 3.375 20 0 FGADHO C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037621 502030788 /nfs/dbraw/zinc/03/07/88/502030788.db2.gz FSROFTIZVCCJCZ-QIJUGHKUSA-N 1 3 365.521 3.284 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000468429269 502057199 /nfs/dbraw/zinc/05/71/99/502057199.db2.gz STOWAOBGPPJSDT-QGZVFWFLSA-N 1 3 366.575 3.258 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000468433691 502058215 /nfs/dbraw/zinc/05/82/15/502058215.db2.gz AGNMIHMMPZYJHA-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO Cc1cc(C)cc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149551 502081633 /nfs/dbraw/zinc/08/16/33/502081633.db2.gz PJCXEXXNYHATKX-RXVVDRJESA-N 1 3 353.510 3.373 20 0 FGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccccc1I ZINC000482555767 502109740 /nfs/dbraw/zinc/10/97/40/502109740.db2.gz NVAFVJOSIVLYMC-GFCCVEGCSA-N 1 3 358.267 3.284 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000468532960 502094456 /nfs/dbraw/zinc/09/44/56/502094456.db2.gz RPYRYDVBDOAUOQ-ICSRJNTNSA-N 1 3 360.546 3.195 20 0 FGADHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288743 502120480 /nfs/dbraw/zinc/12/04/80/502120480.db2.gz UQRFTTVYFVFSNU-FQEVSTJZSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288743 502120483 /nfs/dbraw/zinc/12/04/83/502120483.db2.gz UQRFTTVYFVFSNU-FQEVSTJZSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475288743 502120486 /nfs/dbraw/zinc/12/04/86/502120486.db2.gz UQRFTTVYFVFSNU-FQEVSTJZSA-N 1 3 361.493 3.187 20 0 FGADHO COC[C@@H]1CCCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000468693842 502149542 /nfs/dbraw/zinc/14/95/42/502149542.db2.gz LNPYJXDSUMVNQH-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO COC[C@@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000468693842 502149546 /nfs/dbraw/zinc/14/95/46/502149546.db2.gz LNPYJXDSUMVNQH-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479058770 502150713 /nfs/dbraw/zinc/15/07/13/502150713.db2.gz KAOXGAZEZYNPMR-INIZCTEOSA-N 1 3 367.331 3.218 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N2CCCC2)cc1 ZINC000479205369 502193279 /nfs/dbraw/zinc/19/32/79/502193279.db2.gz LECKGYPFRVVAQW-NHCUHLMSSA-N 1 3 369.484 3.130 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000465434094 502260195 /nfs/dbraw/zinc/26/01/95/502260195.db2.gz PHJKTMIBUCFDOV-PZJWPPBQSA-N 1 3 374.573 3.443 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000465434094 502260200 /nfs/dbraw/zinc/26/02/00/502260200.db2.gz PHJKTMIBUCFDOV-PZJWPPBQSA-N 1 3 374.573 3.443 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000475731241 502267448 /nfs/dbraw/zinc/26/74/48/502267448.db2.gz DAXFCJYHWYKNQF-YZGWKJHDSA-N 1 3 371.569 3.442 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491155 502277351 /nfs/dbraw/zinc/27/73/51/502277351.db2.gz OMMWYERZOBPELU-LEWJYISDSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491155 502277354 /nfs/dbraw/zinc/27/73/54/502277354.db2.gz OMMWYERZOBPELU-LEWJYISDSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000483141548 502288430 /nfs/dbraw/zinc/28/84/30/502288430.db2.gz JXYCLQXFINJPLT-HNNXBMFYSA-N 1 3 374.356 3.034 20 0 FGADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000465630680 502331861 /nfs/dbraw/zinc/33/18/61/502331861.db2.gz LZKVMKSXTLZTLD-FPOVZHCZSA-N 1 3 374.573 3.238 20 0 FGADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630680 502331864 /nfs/dbraw/zinc/33/18/64/502331864.db2.gz LZKVMKSXTLZTLD-FPOVZHCZSA-N 1 3 374.573 3.238 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709733 502355761 /nfs/dbraw/zinc/35/57/61/502355761.db2.gz DZBRIPPWCAILED-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709733 502355765 /nfs/dbraw/zinc/35/57/65/502355765.db2.gz DZBRIPPWCAILED-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709729 502355794 /nfs/dbraw/zinc/35/57/94/502355794.db2.gz DZBRIPPWCAILED-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709729 502355797 /nfs/dbraw/zinc/35/57/97/502355797.db2.gz DZBRIPPWCAILED-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465773198 502379618 /nfs/dbraw/zinc/37/96/18/502379618.db2.gz YTSKRIUWWONLNO-RBUKOAKNSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000469438431 502418927 /nfs/dbraw/zinc/41/89/27/502418927.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000469438431 502418932 /nfs/dbraw/zinc/41/89/32/502418932.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 1 3 372.557 3.069 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465939354 502433933 /nfs/dbraw/zinc/43/39/33/502433933.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465939354 502433939 /nfs/dbraw/zinc/43/39/39/502433939.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111314 502475571 /nfs/dbraw/zinc/47/55/71/502475571.db2.gz RYFRFSCMXZWMAE-NRFANRHFSA-N 1 3 372.557 3.122 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111314 502475575 /nfs/dbraw/zinc/47/55/75/502475575.db2.gz RYFRFSCMXZWMAE-NRFANRHFSA-N 1 3 372.557 3.122 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111315 502475633 /nfs/dbraw/zinc/47/56/33/502475633.db2.gz RYFRFSCMXZWMAE-OAQYLSRUSA-N 1 3 372.557 3.122 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111315 502475639 /nfs/dbraw/zinc/47/56/39/502475639.db2.gz RYFRFSCMXZWMAE-OAQYLSRUSA-N 1 3 372.557 3.122 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473009787 502498386 /nfs/dbraw/zinc/49/83/86/502498386.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473009787 502498388 /nfs/dbraw/zinc/49/83/88/502498388.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763687 502536571 /nfs/dbraw/zinc/53/65/71/502536571.db2.gz LEGTXNFSFKQMCJ-MOXWOTFGSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763687 502536572 /nfs/dbraw/zinc/53/65/72/502536572.db2.gz LEGTXNFSFKQMCJ-MOXWOTFGSA-N 1 3 357.542 3.134 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000473290380 502560466 /nfs/dbraw/zinc/56/04/66/502560466.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000473290380 502560472 /nfs/dbraw/zinc/56/04/72/502560472.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000480419351 502564037 /nfs/dbraw/zinc/56/40/37/502564037.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 1 3 374.569 3.448 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000480419351 502564041 /nfs/dbraw/zinc/56/40/41/502564041.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 1 3 374.569 3.448 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000473347544 502570132 /nfs/dbraw/zinc/57/01/32/502570132.db2.gz RQFGLUGJIROVHU-NRFANRHFSA-N 1 3 359.558 3.320 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000476907372 502617465 /nfs/dbraw/zinc/61/74/65/502617465.db2.gz PWDFJFPEQFJANE-ROUUACIJSA-N 1 3 364.534 3.130 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211530 502659394 /nfs/dbraw/zinc/65/93/94/502659394.db2.gz ANKJHTLUMFPYNI-UYAOXDASSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639081 502692340 /nfs/dbraw/zinc/69/23/40/502692340.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639081 502692343 /nfs/dbraw/zinc/69/23/43/502692343.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 1 3 370.541 3.089 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(C[NH+](C)C)CC1 ZINC000480971051 502716517 /nfs/dbraw/zinc/71/65/17/502716517.db2.gz ZVQABXMMNXYFCB-ZWKOTPCHSA-N 1 3 371.569 3.405 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000488502415 502733897 /nfs/dbraw/zinc/73/38/97/502733897.db2.gz HWSMWTDUVXMJIT-TUNNFDKTSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000477342546 502748460 /nfs/dbraw/zinc/74/84/60/502748460.db2.gz RYGZVIVVBKVFBN-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000470361886 502749123 /nfs/dbraw/zinc/74/91/23/502749123.db2.gz LZRBGXVCMDITIA-IEBWSBKVSA-N 1 3 363.505 3.320 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000470361886 502749127 /nfs/dbraw/zinc/74/91/27/502749127.db2.gz LZRBGXVCMDITIA-IEBWSBKVSA-N 1 3 363.505 3.320 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778321 /nfs/dbraw/zinc/77/83/21/502778321.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 1 3 351.922 3.151 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778323 /nfs/dbraw/zinc/77/83/23/502778323.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 1 3 351.922 3.151 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049478 502789580 /nfs/dbraw/zinc/78/95/80/502789580.db2.gz YXYPEWLMUIWVMJ-RJGXRXQPSA-N 1 3 371.569 3.119 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444987 502807698 /nfs/dbraw/zinc/80/76/98/502807698.db2.gz OWHXBEWJMSQRGH-WOJBJXKFSA-N 1 3 357.542 3.498 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000512977330 502824908 /nfs/dbraw/zinc/82/49/08/502824908.db2.gz KCMMYPWWKOTOPB-UHFFFAOYSA-N 1 3 364.537 3.435 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000500657398 502833698 /nfs/dbraw/zinc/83/36/98/502833698.db2.gz WXMRDUUOLQTTLG-RTBURBONSA-N 1 3 372.557 3.012 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000513384223 502921262 /nfs/dbraw/zinc/92/12/62/502921262.db2.gz NNOGJNBWZDMICE-FPOVZHCZSA-N 1 3 374.573 3.081 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000509583400 502941136 /nfs/dbraw/zinc/94/11/36/502941136.db2.gz JXJJPLSSYNILBQ-FUHWJXTLSA-N 1 3 364.534 3.225 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571726 502968794 /nfs/dbraw/zinc/96/87/94/502968794.db2.gz GPZYYZKFYJMSLF-NHCUHLMSSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000489535969 502980762 /nfs/dbraw/zinc/98/07/62/502980762.db2.gz IHUJCSAPCDCFLV-ROUUACIJSA-N 1 3 360.546 3.289 20 0 FGADHO CC[C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)N1CCc2ccccc2C1 ZINC000501361279 502992038 /nfs/dbraw/zinc/99/20/38/502992038.db2.gz OQUFXQCZLJXABV-SFTDATJTSA-N 1 3 374.573 3.099 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000501520474 503027406 /nfs/dbraw/zinc/02/74/06/503027406.db2.gz FDIQVKXFAFQRPM-RBUKOAKNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501520474 503027407 /nfs/dbraw/zinc/02/74/07/503027407.db2.gz FDIQVKXFAFQRPM-RBUKOAKNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501533224 503030929 /nfs/dbraw/zinc/03/09/29/503030929.db2.gz IOIRDLURYAQZKZ-ZRNYENFQSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501533224 503030934 /nfs/dbraw/zinc/03/09/34/503030934.db2.gz IOIRDLURYAQZKZ-ZRNYENFQSA-N 1 3 366.594 3.164 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000514052916 503075475 /nfs/dbraw/zinc/07/54/75/503075475.db2.gz IWFIVOHKZYDBIO-WIYYLYMNSA-N 1 3 372.557 3.242 20 0 FGADHO Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088764 503107274 /nfs/dbraw/zinc/10/72/74/503107274.db2.gz JEJDGHZCWDKZBB-UYAOXDASSA-N 1 3 357.542 3.162 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000490185706 503125992 /nfs/dbraw/zinc/12/59/92/503125992.db2.gz ZNHNQEBRUOZIEZ-WIYYLYMNSA-N 1 3 374.573 3.407 20 0 FGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000510739226 503183150 /nfs/dbraw/zinc/18/31/50/503183150.db2.gz XKKVQKYTYXJYLW-INIZCTEOSA-N 1 3 365.512 3.434 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741726 503183290 /nfs/dbraw/zinc/18/32/90/503183290.db2.gz PCALGJSEZURHBV-OALUTQOASA-N 1 3 369.553 3.096 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741726 503183291 /nfs/dbraw/zinc/18/32/91/503183291.db2.gz PCALGJSEZURHBV-OALUTQOASA-N 1 3 369.553 3.096 20 0 FGADHO C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)N1CCCCCC1 ZINC000510746891 503184482 /nfs/dbraw/zinc/18/44/82/503184482.db2.gz KUOHAVSQYMWPBO-SFHVURJKSA-N 1 3 367.603 3.119 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490812345 503231032 /nfs/dbraw/zinc/23/10/32/503231032.db2.gz KLGOPGBVWCXYEW-IRFCIJBXSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490812345 503231037 /nfs/dbraw/zinc/23/10/37/503231037.db2.gz KLGOPGBVWCXYEW-IRFCIJBXSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706707 503255498 /nfs/dbraw/zinc/25/54/98/503255498.db2.gz IJTZBBUPOXBXFU-DENIHFKCSA-N 1 3 359.558 3.119 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000507388397 503291576 /nfs/dbraw/zinc/29/15/76/503291576.db2.gz FWMMIAQXOBOFDK-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000507388397 503291579 /nfs/dbraw/zinc/29/15/79/503291579.db2.gz FWMMIAQXOBOFDK-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO COc1ccccc1-c1ncc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000491359230 503300774 /nfs/dbraw/zinc/30/07/74/503300774.db2.gz JYSUIDNUNGZZIW-UHFFFAOYSA-N 1 3 352.482 3.116 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499186085 503351429 /nfs/dbraw/zinc/35/14/29/503351429.db2.gz AEQXIPWEXTXHPS-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247130 503415338 /nfs/dbraw/zinc/41/53/38/503415338.db2.gz KLEFNANLQGSTCG-YSZBQJHXSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247130 503415340 /nfs/dbraw/zinc/41/53/40/503415340.db2.gz KLEFNANLQGSTCG-YSZBQJHXSA-N 1 3 350.506 3.455 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000493814731 503448180 /nfs/dbraw/zinc/44/81/80/503448180.db2.gz WKLWKRNHBPNDKU-RCCFBDPRSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814731 503448183 /nfs/dbraw/zinc/44/81/83/503448183.db2.gz WKLWKRNHBPNDKU-RCCFBDPRSA-N 1 3 364.534 3.128 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493926214 503459320 /nfs/dbraw/zinc/45/93/20/503459320.db2.gz NWDNOYHKAWYQGV-NRFANRHFSA-N 1 3 366.505 3.127 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N2CCN(C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741729 503467509 /nfs/dbraw/zinc/46/75/09/503467509.db2.gz XURVCIDJSWBMDK-RBUKOAKNSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479706 503517623 /nfs/dbraw/zinc/51/76/23/503517623.db2.gz ULWYRZROQNWVCE-SJORKVTESA-N 1 3 353.510 3.466 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508715633 503549929 /nfs/dbraw/zinc/54/99/29/503549929.db2.gz JIEJFGYJFBSSFH-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715633 503549934 /nfs/dbraw/zinc/54/99/34/503549934.db2.gz JIEJFGYJFBSSFH-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715633 503549938 /nfs/dbraw/zinc/54/99/38/503549938.db2.gz JIEJFGYJFBSSFH-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722314 503551378 /nfs/dbraw/zinc/55/13/78/503551378.db2.gz XFLSUEJANDTLHU-HKUYNNGSSA-N 1 3 364.493 3.242 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508860229 503580894 /nfs/dbraw/zinc/58/08/94/503580894.db2.gz DGXRKUQQKOHUSR-ZJOUEHCJSA-N 1 3 374.573 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508860229 503580897 /nfs/dbraw/zinc/58/08/97/503580897.db2.gz DGXRKUQQKOHUSR-ZJOUEHCJSA-N 1 3 374.573 3.360 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667855 503608245 /nfs/dbraw/zinc/60/82/45/503608245.db2.gz RJCMBVPKVKZKLG-IRFCIJBXSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667855 503608249 /nfs/dbraw/zinc/60/82/49/503608249.db2.gz RJCMBVPKVKZKLG-IRFCIJBXSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512667855 503608253 /nfs/dbraw/zinc/60/82/53/503608253.db2.gz RJCMBVPKVKZKLG-IRFCIJBXSA-N 1 3 369.484 3.490 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673586 503608953 /nfs/dbraw/zinc/60/89/53/503608953.db2.gz RHLUEXBYSPLZFO-JYWFKMLOSA-N 1 3 357.542 3.298 20 0 FGADHO COCCC[NH+]1CCC(N[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056426 503654727 /nfs/dbraw/zinc/65/47/27/503654727.db2.gz CTROWQGOTXODQY-DYESRHJHSA-N 1 3 364.505 3.384 20 0 FGADHO Cc1ccccc1[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078939 503661451 /nfs/dbraw/zinc/66/14/51/503661451.db2.gz LNCFSKOLRLFWFX-PZJWPPBQSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccccc1[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078939 503661456 /nfs/dbraw/zinc/66/14/56/503661456.db2.gz LNCFSKOLRLFWFX-PZJWPPBQSA-N 1 3 357.542 3.403 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255812 503694420 /nfs/dbraw/zinc/69/44/20/503694420.db2.gz XQRITVHZCBNRHW-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccnc(-n3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000517255812 503694423 /nfs/dbraw/zinc/69/44/23/503694423.db2.gz XQRITVHZCBNRHW-NQIIRXRSSA-N 1 3 361.493 3.410 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857421 503741899 /nfs/dbraw/zinc/74/18/99/503741899.db2.gz HWJRHARFHWNKFP-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857421 503741906 /nfs/dbraw/zinc/74/19/06/503741906.db2.gz HWJRHARFHWNKFP-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@@H](CC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000543417891 503762411 /nfs/dbraw/zinc/76/24/11/503762411.db2.gz HHFBIZGFYBHTNI-JAXLGGSGSA-N 1 3 359.558 3.303 20 0 FGADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3ccc(CO)o3)cc2)C[C@@H]1C ZINC000537024416 503779676 /nfs/dbraw/zinc/77/96/76/503779676.db2.gz KPXUGSMNHTVXSH-ROUUACIJSA-N 1 3 372.509 3.071 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000543674751 503848091 /nfs/dbraw/zinc/84/80/91/503848091.db2.gz KUJWKCBKWUXSLG-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCN(C)c2ccncc2)c1 ZINC000543712344 503863191 /nfs/dbraw/zinc/86/31/91/503863191.db2.gz NGWQUUTXTXWDTJ-UHFFFAOYSA-N 1 3 354.498 3.065 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCN(C)c2ccncc2)c1 ZINC000543712344 503863194 /nfs/dbraw/zinc/86/31/94/503863194.db2.gz NGWQUUTXTXWDTJ-UHFFFAOYSA-N 1 3 354.498 3.065 20 0 FGADHO CCN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527641666 503871926 /nfs/dbraw/zinc/87/19/26/503871926.db2.gz UXVLIZCLIXBOAT-NSHDSACASA-N 1 3 369.332 3.332 20 0 FGADHO c1ccc2cc(OCCN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530240968 503889519 /nfs/dbraw/zinc/88/95/19/503889519.db2.gz OKSZHFAZOGPDJE-JOCHJYFZSA-N 1 3 354.494 3.309 20 0 FGADHO Clc1cc(Cl)cc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530241794 503890338 /nfs/dbraw/zinc/89/03/38/503890338.db2.gz RKHWNMUOJMBTSL-QGZVFWFLSA-N 1 3 373.324 3.463 20 0 FGADHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000530248552 503893729 /nfs/dbraw/zinc/89/37/29/503893729.db2.gz MFORHYHEHBGPTF-LJQANCHMSA-N 1 3 362.514 3.073 20 0 FGADHO COc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000530248829 503894038 /nfs/dbraw/zinc/89/40/38/503894038.db2.gz QADWRGKINKMVQQ-LJQANCHMSA-N 1 3 362.514 3.073 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000533620867 503903762 /nfs/dbraw/zinc/90/37/62/503903762.db2.gz NBHVBSGZJXPCFJ-UHFFFAOYSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366660 503964370 /nfs/dbraw/zinc/96/43/70/503964370.db2.gz FOHIWEXRLSJLFS-CBQOVEMMSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000533913242 503987840 /nfs/dbraw/zinc/98/78/40/503987840.db2.gz OEDDBIOVDNVPBP-WOJBJXKFSA-N 1 3 360.546 3.240 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000537660444 503995947 /nfs/dbraw/zinc/99/59/47/503995947.db2.gz DPHNKTKFTADKJG-UHFFFAOYSA-N 1 3 360.546 3.005 20 0 FGADHO C[C@@H](NCc1ccc2cn(C)nc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000527968326 504020150 /nfs/dbraw/zinc/02/01/50/504020150.db2.gz ZLQKZIYTUSOMDC-MRXNPFEDSA-N 1 3 352.482 3.365 20 0 FGADHO C[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009649 504037605 /nfs/dbraw/zinc/03/76/05/504037605.db2.gz ZCSSFDYPUBULJX-IIBYNOLFSA-N 1 3 367.493 3.105 20 0 FGADHO OC1CC[NH+](CCCN[C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541221547 504049166 /nfs/dbraw/zinc/04/91/66/504049166.db2.gz SCVQROMQTNWDSZ-GOSISDBHSA-N 1 3 367.331 3.263 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974170 504107708 /nfs/dbraw/zinc/10/77/08/504107708.db2.gz UQHWZDNPNMLOCL-KDURUIRLSA-N 1 3 352.567 3.205 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N2CCCC2)cc1 ZINC000519209683 504164655 /nfs/dbraw/zinc/16/46/55/504164655.db2.gz YDUOQHARCRKYSV-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N2CCCC2)cc1 ZINC000519209683 504164659 /nfs/dbraw/zinc/16/46/59/504164659.db2.gz YDUOQHARCRKYSV-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335692 504175458 /nfs/dbraw/zinc/17/54/58/504175458.db2.gz OICQRFJUTRPCNA-HNNXBMFYSA-N 1 3 365.568 3.451 20 0 FGADHO COCCOCCCC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538260762 504179996 /nfs/dbraw/zinc/17/99/96/504179996.db2.gz HULYLFDOKHIZGU-IBGZPJMESA-N 1 3 362.514 3.007 20 0 FGADHO c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191385 /nfs/dbraw/zinc/19/13/85/504191385.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(CN2CCC[C@@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191386 /nfs/dbraw/zinc/19/13/86/504191386.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 1 3 358.526 3.170 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107754 504192680 /nfs/dbraw/zinc/19/26/80/504192680.db2.gz SXAADNOWFRPGHQ-INIZCTEOSA-N 1 3 363.571 3.074 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107754 504192683 /nfs/dbraw/zinc/19/26/83/504192683.db2.gz SXAADNOWFRPGHQ-INIZCTEOSA-N 1 3 363.571 3.074 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000519370824 504204433 /nfs/dbraw/zinc/20/44/33/504204433.db2.gz XEWZWJFROAQEFF-NRFANRHFSA-N 1 3 370.541 3.052 20 0 FGADHO CO[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000528397213 504205594 /nfs/dbraw/zinc/20/55/94/504205594.db2.gz SKKWJBCVGAHAIL-HXUWFJFHSA-N 1 3 350.478 3.090 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707404 504227778 /nfs/dbraw/zinc/22/77/78/504227778.db2.gz PLOAXYXUAWKZSG-VWPQPMDRSA-N 1 3 360.542 3.461 20 0 FGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707404 504227782 /nfs/dbraw/zinc/22/77/82/504227782.db2.gz PLOAXYXUAWKZSG-VWPQPMDRSA-N 1 3 360.542 3.461 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769736 504248784 /nfs/dbraw/zinc/24/87/84/504248784.db2.gz MUENPRMLPHNDFB-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541780929 504251911 /nfs/dbraw/zinc/25/19/11/504251911.db2.gz ISOCRTWTNOYNTK-KURKYZTESA-N 1 3 366.594 3.115 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000541786730 504255054 /nfs/dbraw/zinc/25/50/54/504255054.db2.gz DYHVOFHQLSPFCO-GHTZIAJQSA-N 1 3 372.557 3.195 20 0 FGADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)Cc2ccccc2C1 ZINC000541882365 504289129 /nfs/dbraw/zinc/28/91/29/504289129.db2.gz FJDIKBQFZBVDGR-YTFSRNRJSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Cc2ccccc2C1 ZINC000541882365 504289136 /nfs/dbraw/zinc/28/91/36/504289136.db2.gz FJDIKBQFZBVDGR-YTFSRNRJSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Cc2ccccc2C1 ZINC000541882365 504289140 /nfs/dbraw/zinc/28/91/40/504289140.db2.gz FJDIKBQFZBVDGR-YTFSRNRJSA-N 1 3 362.517 3.017 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000528652065 504313651 /nfs/dbraw/zinc/31/36/51/504313651.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 1 3 371.569 3.476 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000528652065 504313658 /nfs/dbraw/zinc/31/36/58/504313658.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 1 3 371.569 3.476 20 0 FGADHO C[C@@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000519751865 504327741 /nfs/dbraw/zinc/32/77/41/504327741.db2.gz XMFSRLSNVFXGEE-OTWHNJEPSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000519751865 504327744 /nfs/dbraw/zinc/32/77/44/504327744.db2.gz XMFSRLSNVFXGEE-OTWHNJEPSA-N 1 3 357.542 3.371 20 0 FGADHO COc1ccc(-c2ccccc2)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000531535225 504337306 /nfs/dbraw/zinc/33/73/06/504337306.db2.gz WWFWXFMRAXLMJS-UHFFFAOYSA-N 1 3 367.537 3.478 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531728899 504406574 /nfs/dbraw/zinc/40/65/74/504406574.db2.gz VHMABVCAZOGODP-KGLIPLIRSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531728899 504406580 /nfs/dbraw/zinc/40/65/80/504406580.db2.gz VHMABVCAZOGODP-KGLIPLIRSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000539050357 504458100 /nfs/dbraw/zinc/45/81/00/504458100.db2.gz IKEQGOUJXVPCMV-HTAPYJJXSA-N 1 3 353.510 3.464 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(OCCO)cc1 ZINC000539069947 504463260 /nfs/dbraw/zinc/46/32/60/504463260.db2.gz AXBIKQKOVWSFOG-XMSQKQJNSA-N 1 3 354.494 3.058 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(OCCO)cc1 ZINC000539069947 504463262 /nfs/dbraw/zinc/46/32/62/504463262.db2.gz AXBIKQKOVWSFOG-XMSQKQJNSA-N 1 3 354.494 3.058 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936866 504480362 /nfs/dbraw/zinc/48/03/62/504480362.db2.gz ITBCEWSRIWZVON-YLJYHZDGSA-N 1 3 361.530 3.262 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944790 504482794 /nfs/dbraw/zinc/48/27/94/504482794.db2.gz KXSWSFXOKMOLTB-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944790 504482797 /nfs/dbraw/zinc/48/27/97/504482797.db2.gz KXSWSFXOKMOLTB-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944790 504482800 /nfs/dbraw/zinc/48/28/00/504482800.db2.gz KXSWSFXOKMOLTB-MRXNPFEDSA-N 1 3 353.938 3.397 20 0 FGADHO C[C@@H](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435839 504489601 /nfs/dbraw/zinc/48/96/01/504489601.db2.gz PGVXHTKMUPTWQO-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000539408015 504562160 /nfs/dbraw/zinc/56/21/60/504562160.db2.gz SIXVMEQIEGRMRM-UHFFFAOYSA-N 1 3 370.541 3.410 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000520756748 504575197 /nfs/dbraw/zinc/57/51/97/504575197.db2.gz VZSHJEQIUHWRMN-HUUJSLGLSA-N 1 3 372.557 3.384 20 0 FGADHO CC(C)C[C@@H](CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485313 504585673 /nfs/dbraw/zinc/58/56/73/504585673.db2.gz FRZFGUREXTYFOL-NQIIRXRSSA-N 1 3 372.557 3.313 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542747282 504594255 /nfs/dbraw/zinc/59/42/55/504594255.db2.gz ZIPSYKIMASEBOM-QZTJIDSGSA-N 1 3 366.594 3.259 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542747282 504594258 /nfs/dbraw/zinc/59/42/58/504594258.db2.gz ZIPSYKIMASEBOM-QZTJIDSGSA-N 1 3 366.594 3.259 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000520878467 504602789 /nfs/dbraw/zinc/60/27/89/504602789.db2.gz BGZRWGGHOLAWBJ-LJQANCHMSA-N 1 3 374.573 3.446 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000520878467 504602792 /nfs/dbraw/zinc/60/27/92/504602792.db2.gz BGZRWGGHOLAWBJ-LJQANCHMSA-N 1 3 374.573 3.446 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633939 /nfs/dbraw/zinc/63/39/39/504633939.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633944 /nfs/dbraw/zinc/63/39/44/504633944.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 1 3 372.557 3.099 20 0 FGADHO COc1ccc2oc([C@H](C)[NH2+]CCCCN3CCN(C)CC3)c(C)c2c1 ZINC000532449861 504654721 /nfs/dbraw/zinc/65/47/21/504654721.db2.gz SBWWRYXSVKKNPC-KRWDZBQOSA-N 1 3 359.514 3.428 20 0 FGADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246861 504692011 /nfs/dbraw/zinc/69/20/11/504692011.db2.gz YBRWTLGOQIRNMG-QRVBRYPASA-N 1 3 357.542 3.379 20 0 FGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000521319757 504708808 /nfs/dbraw/zinc/70/88/08/504708808.db2.gz LKBSCEXGRSVQCY-UNMCSNQZSA-N 1 3 354.494 3.025 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533524 504718581 /nfs/dbraw/zinc/71/85/81/504718581.db2.gz QYQLCBIWVIFFNN-INIZCTEOSA-N 1 3 351.485 3.348 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000532660850 504728577 /nfs/dbraw/zinc/72/85/77/504728577.db2.gz LWVYXVSJFJSPBJ-SFHVURJKSA-N 1 3 374.529 3.015 20 0 FGADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000532660850 504728579 /nfs/dbraw/zinc/72/85/79/504728579.db2.gz LWVYXVSJFJSPBJ-SFHVURJKSA-N 1 3 374.529 3.015 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000521586184 504760591 /nfs/dbraw/zinc/76/05/91/504760591.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 1 3 357.542 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000521586184 504760593 /nfs/dbraw/zinc/76/05/93/504760593.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 1 3 357.542 3.294 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620169 504764994 /nfs/dbraw/zinc/76/49/94/504764994.db2.gz JNROYVTZDLPIQK-RTBURBONSA-N 1 3 372.557 3.181 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000532842162 504765763 /nfs/dbraw/zinc/76/57/63/504765763.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 1 3 372.557 3.212 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000532842162 504765765 /nfs/dbraw/zinc/76/57/65/504765765.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 1 3 372.557 3.212 20 0 FGADHO C[NH+](C)CCOc1ccc(CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000553314909 504880844 /nfs/dbraw/zinc/88/08/44/504880844.db2.gz FWPKQVDTVHOUIS-UHFFFAOYSA-N 1 3 368.506 3.435 20 0 FGADHO CCC[NH+]1CCC(CNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000549733810 504883748 /nfs/dbraw/zinc/88/37/48/504883748.db2.gz KGHCTTBMZGPEIQ-UHFFFAOYSA-N 1 3 365.949 3.388 20 0 FGADHO CC1(C)CCN(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405635 504906836 /nfs/dbraw/zinc/90/68/36/504906836.db2.gz VMBCBFBSUJTRIP-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509504 504907383 /nfs/dbraw/zinc/90/73/83/504907383.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 1 3 358.574 3.039 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509504 504907389 /nfs/dbraw/zinc/90/73/89/504907389.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 1 3 358.574 3.039 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536209 504916031 /nfs/dbraw/zinc/91/60/31/504916031.db2.gz YCQXNADRLBJLEZ-RXVVDRJESA-N 1 3 356.510 3.290 20 0 FGADHO c1cc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nc2c1CCC2 ZINC000556785367 504973571 /nfs/dbraw/zinc/97/35/71/504973571.db2.gz XIYVHRMWJKVQJD-UHFFFAOYSA-N 1 3 365.521 3.377 20 0 FGADHO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000553975770 505058149 /nfs/dbraw/zinc/05/81/49/505058149.db2.gz MQSYYZNHFKONOP-DENIHFKCSA-N 1 3 371.569 3.272 20 0 FGADHO C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1)c1ccc(Cl)cc1 ZINC000566131806 505092622 /nfs/dbraw/zinc/09/26/22/505092622.db2.gz PPZIIDRTAMFNFW-QMTMVMCOSA-N 1 3 352.906 3.019 20 0 FGADHO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000560549842 505122818 /nfs/dbraw/zinc/12/28/18/505122818.db2.gz ZIGDSWIECDCELN-ILWGZMRPSA-N 1 3 352.526 3.243 20 0 FGADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560576136 505131172 /nfs/dbraw/zinc/13/11/72/505131172.db2.gz UAKGMNAEUOYOLS-UDGWLPKNSA-N 1 3 369.553 3.180 20 0 FGADHO CCCC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000557522179 505156395 /nfs/dbraw/zinc/15/63/95/505156395.db2.gz OOGBJHDDUKXJKG-NRFANRHFSA-N 1 3 373.541 3.259 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449230 505176535 /nfs/dbraw/zinc/17/65/35/505176535.db2.gz FHVSBCBUGUPBNO-WOJBJXKFSA-N 1 3 372.488 3.031 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265376 505188426 /nfs/dbraw/zinc/18/84/26/505188426.db2.gz UZLQTEWMQABNCL-LEWJYISDSA-N 1 3 358.526 3.074 20 0 FGADHO COc1cc(F)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000560897415 505208912 /nfs/dbraw/zinc/20/89/12/505208912.db2.gz FGLYQCFFGWBJFX-OAGGEKHMSA-N 1 3 368.493 3.383 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899034 505209490 /nfs/dbraw/zinc/20/94/90/505209490.db2.gz DGWWHAAFGJRXGP-FUHWJXTLSA-N 1 3 357.523 3.121 20 0 FGADHO C[C@H]1C[C@H](NCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899034 505209495 /nfs/dbraw/zinc/20/94/95/505209495.db2.gz DGWWHAAFGJRXGP-FUHWJXTLSA-N 1 3 357.523 3.121 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554622074 505225313 /nfs/dbraw/zinc/22/53/13/505225313.db2.gz MGMBBUPFTKVYHJ-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952122 505287175 /nfs/dbraw/zinc/28/71/75/505287175.db2.gz BRRUSHLHSPJRIH-YHYVQYDKSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952122 505287180 /nfs/dbraw/zinc/28/71/80/505287180.db2.gz BRRUSHLHSPJRIH-YHYVQYDKSA-N 1 3 356.485 3.372 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000551749908 505298553 /nfs/dbraw/zinc/29/85/53/505298553.db2.gz NRPIFWDOAOKFKD-KRWDZBQOSA-N 1 3 363.521 3.225 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000551749908 505298554 /nfs/dbraw/zinc/29/85/54/505298554.db2.gz NRPIFWDOAOKFKD-KRWDZBQOSA-N 1 3 363.521 3.225 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008592 505300829 /nfs/dbraw/zinc/30/08/29/505300829.db2.gz LHVXGOAAGFURFM-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008592 505300833 /nfs/dbraw/zinc/30/08/33/505300833.db2.gz LHVXGOAAGFURFM-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008592 505300836 /nfs/dbraw/zinc/30/08/36/505300836.db2.gz LHVXGOAAGFURFM-KNQAVFIVSA-N 1 3 370.541 3.158 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311436 /nfs/dbraw/zinc/31/14/36/505311436.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 1 3 363.505 3.070 20 0 FGADHO CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311437 /nfs/dbraw/zinc/31/14/37/505311437.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 1 3 363.505 3.070 20 0 FGADHO COc1cc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000564114952 505328613 /nfs/dbraw/zinc/32/86/13/505328613.db2.gz DBKNUZFDDPDCFB-QGZVFWFLSA-N 1 3 355.482 3.416 20 0 FGADHO COc1cc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000564114951 505329329 /nfs/dbraw/zinc/32/93/29/505329329.db2.gz DBKNUZFDDPDCFB-KRWDZBQOSA-N 1 3 355.482 3.416 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000564145565 505336817 /nfs/dbraw/zinc/33/68/17/505336817.db2.gz ZBMRQBIIJRBQBW-HXUWFJFHSA-N 1 3 368.525 3.078 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C(C)(C)C)C2)CC1 ZINC000564156565 505341024 /nfs/dbraw/zinc/34/10/24/505341024.db2.gz ISCMYVNHFHIOEE-FQEVSTJZSA-N 1 3 371.569 3.444 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000555158722 505366362 /nfs/dbraw/zinc/36/63/62/505366362.db2.gz GCLNAZMFTHYNPQ-LJQANCHMSA-N 1 3 374.573 3.379 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000555158722 505366366 /nfs/dbraw/zinc/36/63/66/505366366.db2.gz GCLNAZMFTHYNPQ-LJQANCHMSA-N 1 3 374.573 3.379 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)Cc2ccco2)CC1 ZINC000567453379 505468156 /nfs/dbraw/zinc/46/81/56/505468156.db2.gz TYTDBGIYZJCCCM-QUCCMNQESA-N 1 3 356.510 3.116 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647087 505523524 /nfs/dbraw/zinc/52/35/24/505523524.db2.gz SSSVVMLPLMQVRG-FPOVZHCZSA-N 1 3 350.510 3.251 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000582833053 506445144 /nfs/dbraw/zinc/44/51/44/506445144.db2.gz FYXXXJUGSNZZFG-UXHICEINSA-N 1 3 354.498 3.103 20 0 FGADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000589204719 506482842 /nfs/dbraw/zinc/48/28/42/506482842.db2.gz SVHLVPLXCQAZTB-IBGZPJMESA-N 1 3 362.562 3.055 20 0 FGADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccccc1I ZINC000593323030 506540242 /nfs/dbraw/zinc/54/02/42/506540242.db2.gz OMCLPTLRTPZGBB-LBPRGKRZSA-N 1 3 358.267 3.332 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1CC ZINC000608697771 506671909 /nfs/dbraw/zinc/67/19/09/506671909.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1CC ZINC000608697771 506671917 /nfs/dbraw/zinc/67/19/17/506671917.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604080016 506707727 /nfs/dbraw/zinc/70/77/27/506707727.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604080016 506707730 /nfs/dbraw/zinc/70/77/30/506707730.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590078969 506727161 /nfs/dbraw/zinc/72/71/61/506727161.db2.gz MJJHOAANWVNUTN-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590078969 506727165 /nfs/dbraw/zinc/72/71/65/506727165.db2.gz MJJHOAANWVNUTN-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604176084 506737380 /nfs/dbraw/zinc/73/73/80/506737380.db2.gz VMVXWQKIZSPRNN-NJYVYQBISA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604176084 506737384 /nfs/dbraw/zinc/73/73/84/506737384.db2.gz VMVXWQKIZSPRNN-NJYVYQBISA-N 1 3 370.541 3.140 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCN(C2CC2)C1 ZINC000604186111 506742080 /nfs/dbraw/zinc/74/20/80/506742080.db2.gz LWDXLMKKCUEJQT-FQEVSTJZSA-N 1 3 370.541 3.099 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604187944 506742313 /nfs/dbraw/zinc/74/23/13/506742313.db2.gz NDAFPMQGAJASNL-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO CCN1CCCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000600261092 506878019 /nfs/dbraw/zinc/87/80/19/506878019.db2.gz UPFLDUMKSQGYCX-LJQANCHMSA-N 1 3 373.541 3.108 20 0 FGADHO CCN1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000600261092 506878023 /nfs/dbraw/zinc/87/80/23/506878023.db2.gz UPFLDUMKSQGYCX-LJQANCHMSA-N 1 3 373.541 3.108 20 0 FGADHO CN(C)C(=O)[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000604772847 506938267 /nfs/dbraw/zinc/93/82/67/506938267.db2.gz ZAXCTEBJDXIAOT-HXUWFJFHSA-N 1 3 371.550 3.379 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772021 506964680 /nfs/dbraw/zinc/96/46/80/506964680.db2.gz KEKXBSJFGVLMHR-GOSISDBHSA-N 1 3 368.953 3.316 20 0 FGADHO C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961966 507071835 /nfs/dbraw/zinc/07/18/35/507071835.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961966 507071840 /nfs/dbraw/zinc/07/18/40/507071840.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000600839478 507143530 /nfs/dbraw/zinc/14/35/30/507143530.db2.gz NWLZMBPDNXYRPA-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C/c3ccccc3)CC2)CC1 ZINC000584181188 507199033 /nfs/dbraw/zinc/19/90/33/507199033.db2.gz RBHAASPRUXWIQN-RMKNXTFCSA-N 1 3 355.526 3.012 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429967 507247887 /nfs/dbraw/zinc/24/78/87/507247887.db2.gz JJZAIZRFBLGDLF-GOSISDBHSA-N 1 3 373.541 3.106 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591579246 507301649 /nfs/dbraw/zinc/30/16/49/507301649.db2.gz GFGMXKAKTIFHQK-UXHICEINSA-N 1 3 360.546 3.017 20 0 FGADHO CN(CCCc1c(F)cccc1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000584377784 507310996 /nfs/dbraw/zinc/31/09/96/507310996.db2.gz DZELJDFPFGFKPV-UHFFFAOYSA-N 1 3 355.929 3.370 20 0 FGADHO CN(CCCc1c(F)cccc1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000584377784 507310999 /nfs/dbraw/zinc/31/09/99/507310999.db2.gz DZELJDFPFGFKPV-UHFFFAOYSA-N 1 3 355.929 3.370 20 0 FGADHO Ic1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594993439 507345444 /nfs/dbraw/zinc/34/54/44/507345444.db2.gz GJYIBLVTSSZGTK-HOTGVXAUSA-N 1 3 370.278 3.050 20 0 FGADHO Ic1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594993439 507345450 /nfs/dbraw/zinc/34/54/50/507345450.db2.gz GJYIBLVTSSZGTK-HOTGVXAUSA-N 1 3 370.278 3.050 20 0 FGADHO C[C@H](OC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834551 507531744 /nfs/dbraw/zinc/53/17/44/507531744.db2.gz BHTZWARHGWTWLO-YWZLYKJASA-N 1 3 366.933 3.385 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1C ZINC000602008157 507552017 /nfs/dbraw/zinc/55/20/17/507552017.db2.gz QGZXYJWWAHTACB-YQQQUEKLSA-N 1 3 367.493 3.097 20 0 FGADHO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824953279 609133564 /nfs/dbraw/zinc/13/35/64/609133564.db2.gz DDELSBINVKMZNI-OAHLLOKOSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824953279 609133565 /nfs/dbraw/zinc/13/35/65/609133565.db2.gz DDELSBINVKMZNI-OAHLLOKOSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180344662 705735824 /nfs/dbraw/zinc/73/58/24/705735824.db2.gz GEHJFWCBNPPORL-YESZJQIVSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180344662 705735827 /nfs/dbraw/zinc/73/58/27/705735827.db2.gz GEHJFWCBNPPORL-YESZJQIVSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000180344662 705735830 /nfs/dbraw/zinc/73/58/30/705735830.db2.gz GEHJFWCBNPPORL-YESZJQIVSA-N 1 3 351.535 3.238 20 0 FGADHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(Br)c1OC ZINC000237110354 713588378 /nfs/dbraw/zinc/58/83/78/713588378.db2.gz RWLYEOCDMZYPLX-UHFFFAOYSA-N 1 3 371.319 3.429 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cscc2Br)C[C@@H](C)O1 ZINC000512037377 714128955 /nfs/dbraw/zinc/12/89/55/714128955.db2.gz GPEAFQBBNYFFFF-CHWSQXEVSA-N 1 3 361.349 3.490 20 0 FGADHO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506462 714663507 /nfs/dbraw/zinc/66/35/07/714663507.db2.gz OGGZOCPYALLDHG-ZDUSSCGKSA-N 1 3 364.921 3.132 20 0 FGADHO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506462 714663509 /nfs/dbraw/zinc/66/35/09/714663509.db2.gz OGGZOCPYALLDHG-ZDUSSCGKSA-N 1 3 364.921 3.132 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641145 715013555 /nfs/dbraw/zinc/01/35/55/715013555.db2.gz BESPDYUHRMHKBH-ROUUACIJSA-N 1 3 363.571 3.417 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414997 715330860 /nfs/dbraw/zinc/33/08/60/715330860.db2.gz WVPZCSFFYPKYOB-HUUCEWRRSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414997 715330873 /nfs/dbraw/zinc/33/08/73/715330873.db2.gz WVPZCSFFYPKYOB-HUUCEWRRSA-N 1 3 366.347 3.490 20 0 FGADHO O[C@H](CN[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872079 715420622 /nfs/dbraw/zinc/42/06/22/715420622.db2.gz VFTCGANELKEFAW-NEWSRXKRSA-N 1 3 352.519 3.275 20 0 FGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552372 716305685 /nfs/dbraw/zinc/30/56/85/716305685.db2.gz IOTGGBHOXBMVAT-OALUTQOASA-N 1 3 361.921 3.213 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3sccc3CN(C)C)C2)cc1 ZINC000634457142 717082107 /nfs/dbraw/zinc/08/21/07/717082107.db2.gz SCPQXJXESTWKQP-GOSISDBHSA-N 1 3 357.523 3.122 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3sccc3CN(C)C)C2)cc1 ZINC000634457142 717082110 /nfs/dbraw/zinc/08/21/10/717082110.db2.gz SCPQXJXESTWKQP-GOSISDBHSA-N 1 3 357.523 3.122 20 0 FGADHO COCCSc1ccc([C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638537458 717456362 /nfs/dbraw/zinc/45/63/62/717456362.db2.gz FYFMSPQTDFBEJI-MRXNPFEDSA-N 1 3 366.571 3.311 20 0 FGADHO CC[C@@H](C)Oc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000647506576 718364342 /nfs/dbraw/zinc/36/43/42/718364342.db2.gz SWSKVMIJJRKTHR-MRXNPFEDSA-N 1 3 350.503 3.202 20 0 FGADHO C[C@H]1CNC[C@@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551103 718367228 /nfs/dbraw/zinc/36/72/28/718367228.db2.gz YALFDANVQZATBP-KDOFPFPSSA-N 1 3 355.448 3.257 20 0 FGADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551103 718367229 /nfs/dbraw/zinc/36/72/29/718367229.db2.gz YALFDANVQZATBP-KDOFPFPSSA-N 1 3 355.448 3.257 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC000650705610 718716793 /nfs/dbraw/zinc/71/67/93/718716793.db2.gz NSDQFDOPHYXUJQ-UAGQMJEPSA-N 1 3 353.304 3.167 20 0 FGADHO C[C@H]1C[C@@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479519 718818752 /nfs/dbraw/zinc/81/87/52/718818752.db2.gz HHBVQGYOHSEUTI-LEUOFYLZSA-N 1 3 355.448 3.089 20 0 FGADHO C[C@H]1C[C@@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479519 718818754 /nfs/dbraw/zinc/81/87/54/718818754.db2.gz HHBVQGYOHSEUTI-LEUOFYLZSA-N 1 3 355.448 3.089 20 0 FGADHO c1ccc([C@H]2C[NH2+]C[C@]23CCN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001164619299 719049183 /nfs/dbraw/zinc/04/91/83/719049183.db2.gz CLDHQQCPGGRZIT-GGAORHGYSA-N 1 3 362.521 3.261 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2Cl)nc1C ZINC000655745840 719334039 /nfs/dbraw/zinc/33/40/39/719334039.db2.gz GFTHTNDDAHZSEM-KRWDZBQOSA-N 1 3 364.921 3.281 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784777 719471210 /nfs/dbraw/zinc/47/12/10/719471210.db2.gz HEGVQEOBAJQPED-CQSZACIVSA-N 1 3 353.304 3.366 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657310847 719623287 /nfs/dbraw/zinc/62/32/87/719623287.db2.gz PHDZHHAGXZVKMT-INIZCTEOSA-N 1 3 358.555 3.234 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349083 719631258 /nfs/dbraw/zinc/63/12/58/719631258.db2.gz ADFPLCKDEBSGKZ-SFHVURJKSA-N 1 3 357.523 3.092 20 0 FGADHO c1cc(CN2CCC(C[NH2+]Cc3nc4c(s3)CCCC4)CC2)ccn1 ZINC000657612633 719682759 /nfs/dbraw/zinc/68/27/59/719682759.db2.gz BWKHJGIPYRCSPB-UHFFFAOYSA-N 1 3 356.539 3.419 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659427663 719912771 /nfs/dbraw/zinc/91/27/71/719912771.db2.gz QUWFBTIJGQJIOZ-INIZCTEOSA-N 1 3 364.559 3.092 20 0 FGADHO C[C@@H]1CN(CCSc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660153732 719998266 /nfs/dbraw/zinc/99/82/66/719998266.db2.gz HEMAKDPUEBPUKJ-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000660153732 719998267 /nfs/dbraw/zinc/99/82/67/719998267.db2.gz HEMAKDPUEBPUKJ-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000660153732 719998269 /nfs/dbraw/zinc/99/82/69/719998269.db2.gz HEMAKDPUEBPUKJ-VQIMIIECSA-N 1 3 367.990 3.390 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc2c1CNC2 ZINC000662499429 720435356 /nfs/dbraw/zinc/43/53/56/720435356.db2.gz BBFLGUYLAYMOES-UHFFFAOYSA-N 1 3 357.523 3.336 20 0 FGADHO CN(C)C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000662792114 720458244 /nfs/dbraw/zinc/45/82/44/720458244.db2.gz OXEUYPQIDVEBJU-IBGZPJMESA-N 1 3 357.885 3.018 20 0 FGADHO CN(Cc1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733989 720546607 /nfs/dbraw/zinc/54/66/07/720546607.db2.gz FKXVKFYSHZPOND-IBGZPJMESA-N 1 3 372.557 3.192 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665366968 720760685 /nfs/dbraw/zinc/76/06/85/720760685.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665366968 720760690 /nfs/dbraw/zinc/76/06/90/720760690.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000685454642 722385612 /nfs/dbraw/zinc/38/56/12/722385612.db2.gz HMHCIMVYFXHEQG-UHFFFAOYSA-N 1 3 361.427 3.302 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802403 722409865 /nfs/dbraw/zinc/40/98/65/722409865.db2.gz IQTKMHWHKGWSQB-KZNAEPCWSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(Br)c1 ZINC000774208872 723869846 /nfs/dbraw/zinc/86/98/46/723869846.db2.gz KLUCVCIBARLANF-OHRKKDJYSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Br)c1 ZINC000774208872 723869850 /nfs/dbraw/zinc/86/98/50/723869850.db2.gz KLUCVCIBARLANF-OHRKKDJYSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012049 724353812 /nfs/dbraw/zinc/35/38/12/724353812.db2.gz HQGLEZWDWRSPTC-QAPCUYQASA-N 1 3 366.937 3.116 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000812720389 726806615 /nfs/dbraw/zinc/80/66/15/726806615.db2.gz FAOIPAFPKQAFIT-TVFCKZIOSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000823489255 729284820 /nfs/dbraw/zinc/28/48/20/729284820.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 1 3 353.551 3.199 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000823489255 729284821 /nfs/dbraw/zinc/28/48/21/729284821.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 1 3 353.551 3.199 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000830355265 729551945 /nfs/dbraw/zinc/55/19/45/729551945.db2.gz FIFUAABGFRPHSY-KRWDZBQOSA-N 1 3 366.937 3.014 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831769625 729666635 /nfs/dbraw/zinc/66/66/35/729666635.db2.gz UEKQBQYYKANYMR-BBRMVZONSA-N 1 3 354.926 3.060 20 0 FGADHO COc1sc(CNCc2ccc(CC[NH3+])cc2)cc1Br ZINC000841032133 730204903 /nfs/dbraw/zinc/20/49/03/730204903.db2.gz MJEMRNXTHNJMKS-UHFFFAOYSA-N 1 3 355.301 3.310 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)nc3C)CC2)CC1 ZINC000847993749 731118558 /nfs/dbraw/zinc/11/85/58/731118558.db2.gz UHQGJZHEZHBIGI-UHFFFAOYSA-N 1 3 364.921 3.178 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055855 731224558 /nfs/dbraw/zinc/22/45/58/731224558.db2.gz HIEMGAHXOIPYHS-CYBMUJFWSA-N 1 3 363.556 3.278 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055010 731224601 /nfs/dbraw/zinc/22/46/01/731224601.db2.gz OTLVJPUXKUKPOW-MRXNPFEDSA-N 1 3 352.910 3.097 20 0 FGADHO Brc1cscc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344785 731345109 /nfs/dbraw/zinc/34/51/09/731345109.db2.gz WGXIDAIERGXWIS-UHFFFAOYSA-N 1 3 373.360 3.491 20 0 FGADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)cc1F ZINC000858133270 732183917 /nfs/dbraw/zinc/18/39/17/732183917.db2.gz MSMYVIXUMGCBIR-OAHLLOKOSA-N 1 3 373.310 3.223 20 0 FGADHO Cc1cc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(Br)cc1F ZINC000858133270 732183919 /nfs/dbraw/zinc/18/39/19/732183919.db2.gz MSMYVIXUMGCBIR-OAHLLOKOSA-N 1 3 373.310 3.223 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492102 732220274 /nfs/dbraw/zinc/22/02/74/732220274.db2.gz SZKMREOUBPMTTN-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866589115 733370567 /nfs/dbraw/zinc/37/05/67/733370567.db2.gz DDPNJUNWYZNAIQ-OAHLLOKOSA-N 1 3 353.457 3.061 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988504 733542982 /nfs/dbraw/zinc/54/29/82/733542982.db2.gz NEKWLPUYYJOPHS-KSSFIOAISA-N 1 3 358.873 3.259 20 0 FGADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289497 735746687 /nfs/dbraw/zinc/74/66/87/735746687.db2.gz ISSKEESKRHVWNB-UONOGXRCSA-N 1 3 353.304 3.258 20 0 FGADHO CN1CCN(C2CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)CC1 ZINC000877746548 736713299 /nfs/dbraw/zinc/71/32/99/736713299.db2.gz DSVPGZALQVDURD-UHFFFAOYSA-N 1 3 364.946 3.162 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902434973 743743604 /nfs/dbraw/zinc/74/36/04/743743604.db2.gz QVQXOQZMASTPLW-XNGIKWSVSA-N 1 3 362.505 3.090 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000918120254 758304595 /nfs/dbraw/zinc/30/45/95/758304595.db2.gz HDTMIMVXGYRLRH-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc2ccc(Br)cc2c1 ZINC000925732475 759526869 /nfs/dbraw/zinc/52/68/69/759526869.db2.gz BRPBPWKAVVYAII-UYHISHBKSA-N 1 3 363.299 3.444 20 0 FGADHO O=C1O[C@@H](CN[C@H]2CCSc3ccc(Cl)cc32)CC12CC[NH2+]CC2 ZINC000925852974 759558380 /nfs/dbraw/zinc/55/83/80/759558380.db2.gz JAVAGFMSVNDNAU-HIFRSBDPSA-N 1 3 366.914 3.152 20 0 FGADHO CC[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1F ZINC000925855501 759560313 /nfs/dbraw/zinc/56/03/13/759560313.db2.gz KRHCZTPIJRYDDG-WFASDCNBSA-N 1 3 354.853 3.205 20 0 FGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926871073 759834704 /nfs/dbraw/zinc/83/47/04/759834704.db2.gz NAIYKCLRRXAWOS-FQEVSTJZSA-N 1 3 352.563 3.452 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC[N@@H+]1C ZINC000968867165 762844364 /nfs/dbraw/zinc/84/43/64/762844364.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 1 3 363.468 3.030 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC[N@H+]1C ZINC000968867165 762844372 /nfs/dbraw/zinc/84/43/72/762844372.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 1 3 363.468 3.030 20 0 FGADHO Cc1cccc(Cl)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189045 765144643 /nfs/dbraw/zinc/14/46/43/765144643.db2.gz GSTRTGQDXWHCQB-BRWVUGGUSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1cccc(Cl)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189045 765144657 /nfs/dbraw/zinc/14/46/57/765144657.db2.gz GSTRTGQDXWHCQB-BRWVUGGUSA-N 1 3 363.933 3.069 20 0 FGADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105294 765974085 /nfs/dbraw/zinc/97/40/85/765974085.db2.gz YNMGUDORHUDRDU-OJKRMQCYSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105294 765974087 /nfs/dbraw/zinc/97/40/87/765974087.db2.gz YNMGUDORHUDRDU-OJKRMQCYSA-N 1 3 367.896 3.117 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001027418671 766093067 /nfs/dbraw/zinc/09/30/67/766093067.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001027418671 766093075 /nfs/dbraw/zinc/09/30/75/766093075.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 1 3 363.571 3.210 20 0 FGADHO CC(C)N1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000037117284 257338143 /nfs/dbraw/zinc/33/81/43/257338143.db2.gz HWZCYLIIUFDVGN-UHFFFAOYSA-N 1 3 355.276 3.140 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565917 257374652 /nfs/dbraw/zinc/37/46/52/257374652.db2.gz IUSSTQNWTAPHLS-XZOQPEGZSA-N 1 3 371.569 3.228 20 0 FGADHO Cc1ccc2nccc(NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC000302145628 257385108 /nfs/dbraw/zinc/38/51/08/257385108.db2.gz HQUGCMOZCHYQKE-UHFFFAOYSA-N 1 3 362.477 3.447 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161347 503694338 /nfs/dbraw/zinc/69/43/38/503694338.db2.gz SQIOAZUVPPABDG-YPAWHYETSA-N 1 3 370.537 3.356 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000567940455 505579996 /nfs/dbraw/zinc/57/99/96/505579996.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000567940455 505579999 /nfs/dbraw/zinc/57/99/99/505579999.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000573693688 505598534 /nfs/dbraw/zinc/59/85/34/505598534.db2.gz ZVPUSLJEXVXWJS-UHFFFAOYSA-N 1 3 371.550 3.352 20 0 FGADHO CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000573930909 505654519 /nfs/dbraw/zinc/65/45/19/505654519.db2.gz GCVMIEVNRRPEPU-OAQYLSRUSA-N 1 3 369.553 3.409 20 0 FGADHO O[C@@H](COc1cccc2ccccc21)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972315 493768606 /nfs/dbraw/zinc/76/86/06/493768606.db2.gz PSZNMJLXQVIXAW-OAQYLSRUSA-N 1 3 368.521 3.387 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198318 505677629 /nfs/dbraw/zinc/67/76/29/505677629.db2.gz JLMITHAPMRTBJZ-HNAYVOBHSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000057618010 493779233 /nfs/dbraw/zinc/77/92/33/493779233.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000057618010 493779239 /nfs/dbraw/zinc/77/92/39/493779239.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330837 493866733 /nfs/dbraw/zinc/86/67/33/493866733.db2.gz GUVYRWAFCYXHOR-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330837 493866735 /nfs/dbraw/zinc/86/67/35/493866735.db2.gz GUVYRWAFCYXHOR-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050800195 493935691 /nfs/dbraw/zinc/93/56/91/493935691.db2.gz KSWREVVJQNUSFH-UHFFFAOYSA-N 1 3 370.324 3.282 20 0 FGADHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000076893892 493985581 /nfs/dbraw/zinc/98/55/81/493985581.db2.gz ZKUQZIOQKGWPEZ-OBGWFSINSA-N 1 3 351.494 3.171 20 0 FGADHO Cc1cc(NC[C@H](C)N2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215891 494034591 /nfs/dbraw/zinc/03/45/91/494034591.db2.gz DZVQJAJTQUAZHU-AWEZNQCLSA-N 1 3 364.440 3.192 20 0 FGADHO OCC[C@H]1CCCCN1Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000070950229 494073358 /nfs/dbraw/zinc/07/33/58/494073358.db2.gz PPAOJKKCWQTSON-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCCN1Cc1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000070950229 494073363 /nfs/dbraw/zinc/07/33/63/494073363.db2.gz PPAOJKKCWQTSON-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366750 494117695 /nfs/dbraw/zinc/11/76/95/494117695.db2.gz AIWXBHIFGAKDPI-OALUTQOASA-N 1 3 374.573 3.269 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000065468977 494200549 /nfs/dbraw/zinc/20/05/49/494200549.db2.gz ODYJNIGNNZDVGS-NRFANRHFSA-N 1 3 368.525 3.159 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000065469568 494201435 /nfs/dbraw/zinc/20/14/35/494201435.db2.gz VKIDVHYLXBTBRM-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000065469568 494201437 /nfs/dbraw/zinc/20/14/37/494201437.db2.gz VKIDVHYLXBTBRM-GGPKGHCWSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000054509878 494241995 /nfs/dbraw/zinc/24/19/95/494241995.db2.gz GSAKMSOBBZESMB-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000054509878 494241998 /nfs/dbraw/zinc/24/19/98/494241998.db2.gz GSAKMSOBBZESMB-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO Cc1cc2ncc([C@@H](C)[NH2+]CC3CCN(c4ccncc4)CC3)c(C)n2n1 ZINC000089215344 494274034 /nfs/dbraw/zinc/27/40/34/494274034.db2.gz CHBQQMSIAZZTKN-MRXNPFEDSA-N 1 3 364.497 3.308 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568506532 505711724 /nfs/dbraw/zinc/71/17/24/505711724.db2.gz ZIHLDMOIJLGHTD-NRFANRHFSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568506532 505711727 /nfs/dbraw/zinc/71/17/27/505711727.db2.gz ZIHLDMOIJLGHTD-NRFANRHFSA-N 1 3 351.494 3.030 20 0 FGADHO Cc1ccccc1NC(=O)C[C@H](C)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594609 494327928 /nfs/dbraw/zinc/32/79/28/494327928.db2.gz NGFYRAZZKMUNHE-IBGZPJMESA-N 1 3 373.541 3.337 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000078668767 494340277 /nfs/dbraw/zinc/34/02/77/494340277.db2.gz CLMDUBADRQMJOZ-GOSISDBHSA-N 1 3 360.546 3.200 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000078668767 494340282 /nfs/dbraw/zinc/34/02/82/494340282.db2.gz CLMDUBADRQMJOZ-GOSISDBHSA-N 1 3 360.546 3.200 20 0 FGADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577372467 505715260 /nfs/dbraw/zinc/71/52/60/505715260.db2.gz YAGZZMCWOBLRPR-KRWDZBQOSA-N 1 3 360.420 3.473 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)c1ccccc1 ZINC000090038801 494432532 /nfs/dbraw/zinc/43/25/32/494432532.db2.gz IEXHNZFLPYVGMJ-ZWKOTPCHSA-N 1 3 353.510 3.260 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079310880 494435330 /nfs/dbraw/zinc/43/53/30/494435330.db2.gz JEZTURILJFONLJ-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO CSC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000090112933 494444013 /nfs/dbraw/zinc/44/40/13/494444013.db2.gz XZKAMJJAQFOTRM-MRXNPFEDSA-N 1 3 352.544 3.190 20 0 FGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000090121705 494445143 /nfs/dbraw/zinc/44/51/43/494445143.db2.gz RUACUFSQHQYJLS-HNNXBMFYSA-N 1 3 359.901 3.482 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000580297497 505726489 /nfs/dbraw/zinc/72/64/89/505726489.db2.gz IFJPKXIAFDFQQR-FPOVZHCZSA-N 1 3 372.488 3.038 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067508917 494555208 /nfs/dbraw/zinc/55/52/08/494555208.db2.gz ZZOCJXGNAJANHN-UHFFFAOYSA-N 1 3 365.521 3.486 20 0 FGADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1nc2ccccc2n1C ZINC000091348792 494585974 /nfs/dbraw/zinc/58/59/74/494585974.db2.gz VFWOALDLYWYWCX-SFHVURJKSA-N 1 3 369.557 3.174 20 0 FGADHO CN1CCO[C@@H]([C@H](NCCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131391918 494604525 /nfs/dbraw/zinc/60/45/25/494604525.db2.gz KDGLQKWIMLUKRP-WOJBJXKFSA-N 1 3 365.949 3.033 20 0 FGADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000580315351 505731513 /nfs/dbraw/zinc/73/15/13/505731513.db2.gz DPMIAHRIOUSJSV-LJQANCHMSA-N 1 3 364.493 3.018 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164839 494620040 /nfs/dbraw/zinc/62/00/40/494620040.db2.gz PCWKGWVPBMTWJP-FPOVZHCZSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164839 494620048 /nfs/dbraw/zinc/62/00/48/494620048.db2.gz PCWKGWVPBMTWJP-FPOVZHCZSA-N 1 3 374.573 3.269 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000131692176 494701565 /nfs/dbraw/zinc/70/15/65/494701565.db2.gz PQVLONWXRRMEPZ-FCHUYYIVSA-N 1 3 365.521 3.404 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000080462320 494710760 /nfs/dbraw/zinc/71/07/60/494710760.db2.gz KAZMOCXBCPNRNV-UHFFFAOYSA-N 1 3 374.573 3.190 20 0 FGADHO CCC(C)(C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820990 494762886 /nfs/dbraw/zinc/76/28/86/494762886.db2.gz NEYZCIAMJAIPOH-QGZVFWFLSA-N 1 3 360.546 3.313 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000131956729 494785038 /nfs/dbraw/zinc/78/50/38/494785038.db2.gz YKFIXURDBOHBKK-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000116435246 494786446 /nfs/dbraw/zinc/78/64/46/494786446.db2.gz YPEROQFKBUDAAO-LJQANCHMSA-N 1 3 361.555 3.357 20 0 FGADHO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000116435246 494786453 /nfs/dbraw/zinc/78/64/53/494786453.db2.gz YPEROQFKBUDAAO-LJQANCHMSA-N 1 3 361.555 3.357 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000116435818 494786490 /nfs/dbraw/zinc/78/64/90/494786490.db2.gz IUKUHMVHINWLTH-GOSISDBHSA-N 1 3 372.557 3.384 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553510 494787345 /nfs/dbraw/zinc/78/73/45/494787345.db2.gz NKIUWJZMBRCKAA-LPHOPBHVSA-N 1 3 365.949 3.478 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553278 494787727 /nfs/dbraw/zinc/78/77/27/494787727.db2.gz NKIUWJZMBRCKAA-VQIMIIECSA-N 1 3 365.949 3.478 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047886760 494787848 /nfs/dbraw/zinc/78/78/48/494787848.db2.gz CKIKBZCSIKFXSC-QZTJIDSGSA-N 1 3 372.557 3.058 20 0 FGADHO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000126741838 494830344 /nfs/dbraw/zinc/83/03/44/494830344.db2.gz RTBPVIOPYCKDCG-SFHVURJKSA-N 1 3 355.530 3.062 20 0 FGADHO c1ccc(CC[NH+]2CCC(NCCN3CCc4ccccc4C3)CC2)cc1 ZINC000121735503 494848287 /nfs/dbraw/zinc/84/82/87/494848287.db2.gz QGMBNGCZXRDGAB-UHFFFAOYSA-N 1 3 363.549 3.341 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)N1CCCCC1 ZINC000571517395 505752444 /nfs/dbraw/zinc/75/24/44/505752444.db2.gz XFYQMKHDUHFYRW-APWZRJJASA-N 1 3 354.922 3.072 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127278345 494921384 /nfs/dbraw/zinc/92/13/84/494921384.db2.gz TXKCOYHQEOPCTM-JENIJYKNSA-N 1 3 374.548 3.243 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000127445875 494945907 /nfs/dbraw/zinc/94/59/07/494945907.db2.gz WYBALYPANAAPPB-HSZRJFAPSA-N 1 3 373.585 3.167 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041219 494960100 /nfs/dbraw/zinc/96/01/00/494960100.db2.gz YTYJCPJBCZYHGF-ROUUACIJSA-N 1 3 354.498 3.024 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000133334650 495002152 /nfs/dbraw/zinc/00/21/52/495002152.db2.gz YHBJEKZHAAOJBX-QFIPXVFZSA-N 1 3 371.500 3.179 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)N(C)Cc1ccccc1 ZINC000111444217 495075713 /nfs/dbraw/zinc/07/57/13/495075713.db2.gz DLYGDUQBXLDPKC-GOSISDBHSA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077432 /nfs/dbraw/zinc/07/74/32/495077432.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077434 /nfs/dbraw/zinc/07/74/34/495077434.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077437 /nfs/dbraw/zinc/07/74/37/495077437.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077441 /nfs/dbraw/zinc/07/74/41/495077441.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123124140 495084183 /nfs/dbraw/zinc/08/41/83/495084183.db2.gz HTVXPCXVTIHYPN-IBGZPJMESA-N 1 3 359.558 3.396 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128353093 495084292 /nfs/dbraw/zinc/08/42/92/495084292.db2.gz UOAZEHUSGBNUNI-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000128678964 495133970 /nfs/dbraw/zinc/13/39/70/495133970.db2.gz RBFSTEUWGHZIBB-QGZVFWFLSA-N 1 3 361.530 3.117 20 0 FGADHO COc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000119423271 495164123 /nfs/dbraw/zinc/16/41/23/495164123.db2.gz KWGPZYQKNOEEMN-SFTDATJTSA-N 1 3 367.493 3.038 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000129063526 495190565 /nfs/dbraw/zinc/19/05/65/495190565.db2.gz JJVCRLMYDHBLJJ-XYJFISCASA-N 1 3 358.530 3.040 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545869 495204072 /nfs/dbraw/zinc/20/40/72/495204072.db2.gz UVTRNGCKCLXNOJ-JXFKEZNVSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545869 495204077 /nfs/dbraw/zinc/20/40/77/495204077.db2.gz UVTRNGCKCLXNOJ-JXFKEZNVSA-N 1 3 369.484 3.374 20 0 FGADHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000103482396 495241731 /nfs/dbraw/zinc/24/17/31/495241731.db2.gz PNRMMYFYPKQFAK-UHFFFAOYSA-N 1 3 357.498 3.026 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000129986568 495323933 /nfs/dbraw/zinc/32/39/33/495323933.db2.gz WGRDKPUHTYKHRA-DLBZAZTESA-N 1 3 371.447 3.189 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)cc2)CC1 ZINC000105112863 495337744 /nfs/dbraw/zinc/33/77/44/495337744.db2.gz AXNZDCOKEFBHCI-OAQYLSRUSA-N 1 3 372.557 3.154 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000125187310 495403230 /nfs/dbraw/zinc/40/32/30/495403230.db2.gz XCPMTJZSQZAQBE-IPMKNSEASA-N 1 3 361.574 3.268 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(OCCN(C)C)c1 ZINC000130591799 495416236 /nfs/dbraw/zinc/41/62/36/495416236.db2.gz NAYDVYFRGOIGPJ-QGZVFWFLSA-N 1 3 352.482 3.168 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000125328476 495427380 /nfs/dbraw/zinc/42/73/80/495427380.db2.gz KBGVYCRPIOJRKW-QZNHQXDQSA-N 1 3 372.601 3.216 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513846 495460198 /nfs/dbraw/zinc/46/01/98/495460198.db2.gz ZUBJBAJQAGEWLB-FPOVZHCZSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513846 495460201 /nfs/dbraw/zinc/46/02/01/495460201.db2.gz ZUBJBAJQAGEWLB-FPOVZHCZSA-N 1 3 370.541 3.140 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131206426 495506897 /nfs/dbraw/zinc/50/68/97/495506897.db2.gz ZSMJKYRLBBQAAM-MRXNPFEDSA-N 1 3 367.559 3.219 20 0 FGADHO [O-]c1cc(F)cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000185523033 495609910 /nfs/dbraw/zinc/60/99/10/495609910.db2.gz IHXKDJPISCOOEV-OAQYLSRUSA-N 1 3 358.457 3.067 20 0 FGADHO CCCC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814283 495612436 /nfs/dbraw/zinc/61/24/36/495612436.db2.gz BKZZVITVIFTYBP-PXNSSMCTSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCCCC1 ZINC000182673489 495658380 /nfs/dbraw/zinc/65/83/80/495658380.db2.gz UAWOPIWBFINUPF-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159210227 495683930 /nfs/dbraw/zinc/68/39/30/495683930.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 1 3 360.542 3.006 20 0 FGADHO CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159210227 495683937 /nfs/dbraw/zinc/68/39/37/495683937.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 1 3 360.542 3.006 20 0 FGADHO CCCN(C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000171003262 495684107 /nfs/dbraw/zinc/68/41/07/495684107.db2.gz GEVQVXXZGJXEGX-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000176570429 495703235 /nfs/dbraw/zinc/70/32/35/495703235.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000176570429 495703242 /nfs/dbraw/zinc/70/32/42/495703242.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000151000155 495707738 /nfs/dbraw/zinc/70/77/38/495707738.db2.gz KVUKEHCHFPFQPP-AWEZNQCLSA-N 1 3 359.436 3.262 20 0 FGADHO C[C@@H]1C[C@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817797 495714858 /nfs/dbraw/zinc/71/48/58/495714858.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 1 3 352.906 3.458 20 0 FGADHO C[C@@H]1C[C@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817797 495714862 /nfs/dbraw/zinc/71/48/62/495714862.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 1 3 352.906 3.458 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176611226 495720440 /nfs/dbraw/zinc/72/04/40/495720440.db2.gz NEURQADTXBDVRC-FPOVZHCZSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962218 495776834 /nfs/dbraw/zinc/77/68/34/495776834.db2.gz VBBPVPWFSVSGAE-MOPGFXCFSA-N 1 3 374.573 3.096 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000171274260 495800372 /nfs/dbraw/zinc/80/03/72/495800372.db2.gz ZZNZRWVUJLGNJP-OTWHNJEPSA-N 1 3 357.542 3.276 20 0 FGADHO Cc1ccc2c(CN3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000174240279 495877355 /nfs/dbraw/zinc/87/73/55/495877355.db2.gz JKAREUHDEHJVPP-UHFFFAOYSA-N 1 3 370.493 3.178 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174319498 495907632 /nfs/dbraw/zinc/90/76/32/495907632.db2.gz JQARDQCCCLNYSO-INIZCTEOSA-N 1 3 355.482 3.052 20 0 FGADHO Cc1cc(CNCCC[N@H+]2CCCN(C)CC2)c(OC(F)F)cc1C ZINC000174354475 495923357 /nfs/dbraw/zinc/92/33/57/495923357.db2.gz XEOWWHFFPIKSOM-UHFFFAOYSA-N 1 3 355.473 3.022 20 0 FGADHO Cc1cc(CNCCC[N@@H+]2CCCN(C)CC2)c(OC(F)F)cc1C ZINC000174354475 495923366 /nfs/dbraw/zinc/92/33/66/495923366.db2.gz XEOWWHFFPIKSOM-UHFFFAOYSA-N 1 3 355.473 3.022 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000174383664 495934464 /nfs/dbraw/zinc/93/44/64/495934464.db2.gz XMMJCZKGNYRMIF-HKBOAZHASA-N 1 3 372.557 3.254 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000174383664 495934467 /nfs/dbraw/zinc/93/44/67/495934467.db2.gz XMMJCZKGNYRMIF-HKBOAZHASA-N 1 3 372.557 3.254 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174383587 495934508 /nfs/dbraw/zinc/93/45/08/495934508.db2.gz CBNPWWNFAYRNIB-QGZVFWFLSA-N 1 3 369.509 3.442 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000171658869 495976229 /nfs/dbraw/zinc/97/62/29/495976229.db2.gz FBADMIAAZFOADD-UHFFFAOYSA-N 1 3 363.505 3.146 20 0 FGADHO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1cccc(OCCN(C)C)c1 ZINC000180391589 495977428 /nfs/dbraw/zinc/97/74/28/495977428.db2.gz PZJDDYWHRVNSMO-UZLBHIALSA-N 1 3 367.493 3.404 20 0 FGADHO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1cccc(OCCN(C)C)c1 ZINC000180391574 495977724 /nfs/dbraw/zinc/97/77/24/495977724.db2.gz PZJDDYWHRVNSMO-JXFKEZNVSA-N 1 3 367.493 3.404 20 0 FGADHO C[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000174711377 496072934 /nfs/dbraw/zinc/07/29/34/496072934.db2.gz WRGMENFRAPBSQR-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155943891 496114210 /nfs/dbraw/zinc/11/42/10/496114210.db2.gz NKKAIACXNHBWAN-ILXRZTDVSA-N 1 3 352.910 3.162 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000155943891 496114213 /nfs/dbraw/zinc/11/42/13/496114213.db2.gz NKKAIACXNHBWAN-ILXRZTDVSA-N 1 3 352.910 3.162 20 0 FGADHO Cc1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838552 496131600 /nfs/dbraw/zinc/13/16/00/496131600.db2.gz DYKYPCJYGJYYGY-IXDOHACOSA-N 1 3 374.529 3.085 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889078 496151835 /nfs/dbraw/zinc/15/18/35/496151835.db2.gz FFUIKDPLJVZFBU-KNQAVFIVSA-N 1 3 371.569 3.491 20 0 FGADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000177759502 496184788 /nfs/dbraw/zinc/18/47/88/496184788.db2.gz UWSXWUFZVUOPMR-IBGZPJMESA-N 1 3 369.557 3.290 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(OC(F)F)c1 ZINC000172191863 496201653 /nfs/dbraw/zinc/20/16/53/496201653.db2.gz JCSORNDMQCKZNY-GASCZTMLSA-N 1 3 372.456 3.276 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180945918 496212302 /nfs/dbraw/zinc/21/23/02/496212302.db2.gz RWFBOSBHSRYXKG-HNNXBMFYSA-N 1 3 368.363 3.468 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180945918 496212306 /nfs/dbraw/zinc/21/23/06/496212306.db2.gz RWFBOSBHSRYXKG-HNNXBMFYSA-N 1 3 368.363 3.468 20 0 FGADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000180993998 496233131 /nfs/dbraw/zinc/23/31/31/496233131.db2.gz OMFCCWJRSUXREP-OAQYLSRUSA-N 1 3 366.505 3.257 20 0 FGADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000180993998 496233147 /nfs/dbraw/zinc/23/31/47/496233147.db2.gz OMFCCWJRSUXREP-OAQYLSRUSA-N 1 3 366.505 3.257 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C3CCSCC3)cc2)CC1 ZINC000187016788 496253355 /nfs/dbraw/zinc/25/33/55/496253355.db2.gz MHWUJNBAHWNMSE-GOSISDBHSA-N 1 3 361.599 3.445 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000574697535 505834441 /nfs/dbraw/zinc/83/44/41/505834441.db2.gz UYCYIHMXTJVPKB-OALUTQOASA-N 1 3 371.569 3.490 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178034236 496298193 /nfs/dbraw/zinc/29/81/93/496298193.db2.gz MUVQGGHLJLQJAA-YESZJQIVSA-N 1 3 365.493 3.022 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037196 496298708 /nfs/dbraw/zinc/29/87/08/496298708.db2.gz JDNTTXLCCXIYMW-WBVHZDCISA-N 1 3 374.447 3.371 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037145 496298858 /nfs/dbraw/zinc/29/88/58/496298858.db2.gz JDNTTXLCCXIYMW-DOTOQJQBSA-N 1 3 374.447 3.371 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000178038664 496299494 /nfs/dbraw/zinc/29/94/94/496299494.db2.gz WLXHGXISGTYKTE-QRVBRYPASA-N 1 3 356.514 3.412 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070833 496315676 /nfs/dbraw/zinc/31/56/76/496315676.db2.gz VSXYNODMGHWCIA-UKRRQHHQSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070833 496315679 /nfs/dbraw/zinc/31/56/79/496315679.db2.gz VSXYNODMGHWCIA-UKRRQHHQSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000175327919 496341411 /nfs/dbraw/zinc/34/14/11/496341411.db2.gz LTUUREQTPBJLGY-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000156849026 496347302 /nfs/dbraw/zinc/34/73/02/496347302.db2.gz UZNIANJRZBINJG-UNMCSNQZSA-N 1 3 357.542 3.266 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471328 496357931 /nfs/dbraw/zinc/35/79/31/496357931.db2.gz BPKYNMPBLQHKHR-ANQUJSFKSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471328 496357937 /nfs/dbraw/zinc/35/79/37/496357937.db2.gz BPKYNMPBLQHKHR-ANQUJSFKSA-N 1 3 366.347 3.346 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000175393093 496371312 /nfs/dbraw/zinc/37/13/12/496371312.db2.gz AXNQGLLUZDINDX-OAQYLSRUSA-N 1 3 372.557 3.085 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000162572904 496375479 /nfs/dbraw/zinc/37/54/79/496375479.db2.gz LDMGCMJSWIKJCN-CPJLOUKISA-N 1 3 360.523 3.215 20 0 FGADHO CN(c1ccccc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1)C1CCN(C)CC1 ZINC000157096549 496404940 /nfs/dbraw/zinc/40/49/40/496404940.db2.gz DNCJQJFLWZULKL-KNQAVFIVSA-N 1 3 357.542 3.264 20 0 FGADHO C[C@@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418644 /nfs/dbraw/zinc/41/86/44/496418644.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418649 /nfs/dbraw/zinc/41/86/49/496418649.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418656 /nfs/dbraw/zinc/41/86/56/496418656.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418658 /nfs/dbraw/zinc/41/86/58/496418658.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 1 3 366.933 3.195 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556055 496437281 /nfs/dbraw/zinc/43/72/81/496437281.db2.gz RGZBTMFHGVBJLW-NRFANRHFSA-N 1 3 374.573 3.126 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000175569822 496446977 /nfs/dbraw/zinc/44/69/77/496446977.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000175569822 496446979 /nfs/dbraw/zinc/44/69/79/496446979.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H](c1ccccc1F)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157491644 496489112 /nfs/dbraw/zinc/48/91/12/496489112.db2.gz RZCVWIRIMWYETI-MRXNPFEDSA-N 1 3 363.521 3.303 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000157767405 496549108 /nfs/dbraw/zinc/54/91/08/496549108.db2.gz BMJIGFRRCCJTBR-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770675 496565625 /nfs/dbraw/zinc/56/56/25/496565625.db2.gz YLSASIPPLAKKQR-APWZRJJASA-N 1 3 363.571 3.238 20 0 FGADHO N[C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000569099714 505852898 /nfs/dbraw/zinc/85/28/98/505852898.db2.gz NJGMRUROHJSKBR-LJQANCHMSA-N 1 3 363.571 3.374 20 0 FGADHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976474 496606770 /nfs/dbraw/zinc/60/67/70/496606770.db2.gz KUUZBQZJPCHVFG-OTWHNJEPSA-N 1 3 363.571 3.012 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967463 496617192 /nfs/dbraw/zinc/61/71/92/496617192.db2.gz ZOIZQPQZZWFNMU-HDICACEKSA-N 1 3 368.562 3.320 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904402 496638551 /nfs/dbraw/zinc/63/85/51/496638551.db2.gz LSMXVTHATLYIHQ-YJBOKZPZSA-N 1 3 351.560 3.273 20 0 FGADHO CCCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165495821 496659865 /nfs/dbraw/zinc/65/98/65/496659865.db2.gz LSIKZOGYXDLWCD-NRFANRHFSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179122716 496682639 /nfs/dbraw/zinc/68/26/39/496682639.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179122716 496682647 /nfs/dbraw/zinc/68/26/47/496682647.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 1 3 372.557 3.386 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000166375392 496684468 /nfs/dbraw/zinc/68/44/68/496684468.db2.gz JPDQFTWDMSDFSN-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155857 496691032 /nfs/dbraw/zinc/69/10/32/496691032.db2.gz ZKWADCMPYIHWMF-LPTQZCDUSA-N 1 3 359.514 3.064 20 0 FGADHO Cc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Oc1cccnc1 ZINC000574810521 505860653 /nfs/dbraw/zinc/86/06/53/505860653.db2.gz JFYYDBFXGBPHPI-IBGZPJMESA-N 1 3 367.493 3.370 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215161 496709692 /nfs/dbraw/zinc/70/96/92/496709692.db2.gz IZKUSQWKBQIBTK-PCCBWWKXSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215161 496709697 /nfs/dbraw/zinc/70/96/97/496709697.db2.gz IZKUSQWKBQIBTK-PCCBWWKXSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1Cl ZINC000168898184 496712698 /nfs/dbraw/zinc/71/26/98/496712698.db2.gz FJDDSBSKBLUWPN-HNNXBMFYSA-N 1 3 374.356 3.034 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000574813936 505861376 /nfs/dbraw/zinc/86/13/76/505861376.db2.gz RNLYHGHEGDAFOV-NHCUHLMSSA-N 1 3 372.557 3.444 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCCC2 ZINC000182261687 496722877 /nfs/dbraw/zinc/72/28/77/496722877.db2.gz VJMVUIVUKALUPW-PCCBWWKXSA-N 1 3 358.526 3.081 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCCCC2 ZINC000182261806 496723048 /nfs/dbraw/zinc/72/30/48/496723048.db2.gz ZCAZHTKIXFDSLO-BHDDXSALSA-N 1 3 372.553 3.471 20 0 FGADHO CCc1nc2c(s1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182264352 496723120 /nfs/dbraw/zinc/72/31/20/496723120.db2.gz DUUCYDUOGRJBQX-ROUUACIJSA-N 1 3 371.550 3.439 20 0 FGADHO CCc1nc2c(s1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182264352 496723123 /nfs/dbraw/zinc/72/31/23/496723123.db2.gz DUUCYDUOGRJBQX-ROUUACIJSA-N 1 3 371.550 3.439 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000182272949 496724224 /nfs/dbraw/zinc/72/42/24/496724224.db2.gz GDJLOJCLNFIAOA-GOTSBHOMSA-N 1 3 350.506 3.364 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067453 496769907 /nfs/dbraw/zinc/76/99/07/496769907.db2.gz OCVHOGCYVIKHJA-ZWOKBUDYSA-N 1 3 364.530 3.491 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247074098 496771169 /nfs/dbraw/zinc/77/11/69/496771169.db2.gz OSPHATGSVCMRKR-DUXKGJEZSA-N 1 3 372.557 3.384 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380733 496789024 /nfs/dbraw/zinc/78/90/24/496789024.db2.gz IBRCIZOCDJJWFR-MSOLQXFVSA-N 1 3 354.560 3.257 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273380737 496789211 /nfs/dbraw/zinc/78/92/11/496789211.db2.gz IBRCIZOCDJJWFR-QZTJIDSGSA-N 1 3 354.560 3.257 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCS2 ZINC000191516253 496793736 /nfs/dbraw/zinc/79/37/36/496793736.db2.gz CFLKRSRXBGLMPT-KXBFYZLASA-N 1 3 362.539 3.323 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214114 496807189 /nfs/dbraw/zinc/80/71/89/496807189.db2.gz XEYQUTZCJKMYRF-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214114 496807191 /nfs/dbraw/zinc/80/71/91/496807191.db2.gz XEYQUTZCJKMYRF-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214114 496807197 /nfs/dbraw/zinc/80/71/97/496807197.db2.gz XEYQUTZCJKMYRF-SJORKVTESA-N 1 3 365.949 3.399 20 0 FGADHO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCN1CCN(C(C)C)CC1)CCC2 ZINC000191573092 496817317 /nfs/dbraw/zinc/81/73/17/496817317.db2.gz BEIQOWQLXILBNP-GOSISDBHSA-N 1 3 350.576 3.177 20 0 FGADHO Cc1nc2c(s1)[C@H]([N@H+](C)CCCN1CCN(C(C)C)CC1)CCC2 ZINC000191573092 496817323 /nfs/dbraw/zinc/81/73/23/496817323.db2.gz BEIQOWQLXILBNP-GOSISDBHSA-N 1 3 350.576 3.177 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411146 497000626 /nfs/dbraw/zinc/00/06/26/497000626.db2.gz YWBAAWLCCCKGRQ-LRSLUSHPSA-N 1 3 358.526 3.072 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460028 497018711 /nfs/dbraw/zinc/01/87/11/497018711.db2.gz WDEJDLNZLODMRA-OPAMFIHVSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460028 497018718 /nfs/dbraw/zinc/01/87/18/497018718.db2.gz WDEJDLNZLODMRA-OPAMFIHVSA-N 1 3 367.493 3.062 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000189159626 497027645 /nfs/dbraw/zinc/02/76/45/497027645.db2.gz HKMIQPPDOZPUNN-HXUWFJFHSA-N 1 3 360.546 3.115 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911715 505881645 /nfs/dbraw/zinc/88/16/45/505881645.db2.gz BQZIXADYKPACGR-IEBWSBKVSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911715 505881649 /nfs/dbraw/zinc/88/16/49/505881649.db2.gz BQZIXADYKPACGR-IEBWSBKVSA-N 1 3 352.482 3.053 20 0 FGADHO Cc1ccc2cc(CNCc3ccnc(OCC[NH+](C)C)c3)ccc2n1 ZINC000189412434 497109749 /nfs/dbraw/zinc/10/97/49/497109749.db2.gz PWVXDHWPABQBQZ-UHFFFAOYSA-N 1 3 350.466 3.168 20 0 FGADHO C[C@H](Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236711671 497135758 /nfs/dbraw/zinc/13/57/58/497135758.db2.gz CCZNXYYVWCLIEK-CRAIPNDOSA-N 1 3 369.347 3.063 20 0 FGADHO C[C@@H](Cc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236708813 497136469 /nfs/dbraw/zinc/13/64/69/497136469.db2.gz CCZNXYYVWCLIEK-YJBOKZPZSA-N 1 3 369.347 3.063 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531298 497145915 /nfs/dbraw/zinc/14/59/15/497145915.db2.gz UXGPZTHVOXFLQD-ZDUSSCGKSA-N 1 3 359.345 3.254 20 0 FGADHO CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249299959 497190563 /nfs/dbraw/zinc/19/05/63/497190563.db2.gz NZQWBIITBPLXBR-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccc(OC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000192742240 497201393 /nfs/dbraw/zinc/20/13/93/497201393.db2.gz KBBYUGBOGZVFHG-UHFFFAOYSA-N 1 3 359.558 3.254 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000581014199 505891097 /nfs/dbraw/zinc/89/10/97/505891097.db2.gz RDHCLEFHVFZLAH-INIZCTEOSA-N 1 3 367.493 3.163 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000270922879 497226768 /nfs/dbraw/zinc/22/67/68/497226768.db2.gz FMJHWTNTMJTPAF-UHFFFAOYSA-N 1 3 371.569 3.479 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCNc3ccccc32)(N2CCCCC2)CC1 ZINC000192906825 497243346 /nfs/dbraw/zinc/24/33/46/497243346.db2.gz MDVXHJFUKUXJTH-NRFANRHFSA-N 1 3 356.558 3.473 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H](N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235776 505894575 /nfs/dbraw/zinc/89/45/75/505894575.db2.gz XNYKBLANJXVWBD-KAGYGMCKSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H](N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235776 505894578 /nfs/dbraw/zinc/89/45/78/505894578.db2.gz XNYKBLANJXVWBD-KAGYGMCKSA-N 1 3 365.521 3.493 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000193071398 497293583 /nfs/dbraw/zinc/29/35/83/497293583.db2.gz WWCNHRBLOJJPCH-UHFFFAOYSA-N 1 3 360.527 3.051 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252111558 497297720 /nfs/dbraw/zinc/29/77/20/497297720.db2.gz JQENCAGHMIWAES-SFHLNBCPSA-N 1 3 374.573 3.347 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455728 497353305 /nfs/dbraw/zinc/35/33/05/497353305.db2.gz JEISOAWYHUSSBI-FUHWJXTLSA-N 1 3 350.503 3.018 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255839681 497375865 /nfs/dbraw/zinc/37/58/65/497375865.db2.gz AXENATINCZPQNG-FPOVZHCZSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255839681 497375869 /nfs/dbraw/zinc/37/58/69/497375869.db2.gz AXENATINCZPQNG-FPOVZHCZSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H](NC(=O)C[C@H](N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573989 497415945 /nfs/dbraw/zinc/41/59/45/497415945.db2.gz AXSSDISZINDFGF-YYWHXJBOSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H](NC(=O)C[C@H](N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573989 497415948 /nfs/dbraw/zinc/41/59/48/497415948.db2.gz AXSSDISZINDFGF-YYWHXJBOSA-N 1 3 351.494 3.103 20 0 FGADHO CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261677038 497432028 /nfs/dbraw/zinc/43/20/28/497432028.db2.gz BCOSEIXRQKQMIZ-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261772679 497448169 /nfs/dbraw/zinc/44/81/69/497448169.db2.gz RNWVQHSGWFXKJO-SFHVURJKSA-N 1 3 367.468 3.322 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261772679 497448174 /nfs/dbraw/zinc/44/81/74/497448174.db2.gz RNWVQHSGWFXKJO-SFHVURJKSA-N 1 3 367.468 3.322 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccccc1 ZINC000245619016 497476426 /nfs/dbraw/zinc/47/64/26/497476426.db2.gz DPEFMSKINHCSCZ-VQTJNVASSA-N 1 3 352.482 3.315 20 0 FGADHO Fc1cc(F)cc(Oc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086843 497505767 /nfs/dbraw/zinc/50/57/67/497505767.db2.gz GEPBKPDWBKCLCO-LJQANCHMSA-N 1 3 373.447 3.237 20 0 FGADHO Fc1cccc(Oc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082871 497506098 /nfs/dbraw/zinc/50/60/98/497506098.db2.gz FOKZHMVXXCHOGN-IBGZPJMESA-N 1 3 355.457 3.098 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262261724 497531399 /nfs/dbraw/zinc/53/13/99/497531399.db2.gz JLXOJAMMAFNCGQ-FXTMCPBRSA-N 1 3 369.553 3.309 20 0 FGADHO CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262357591 497544006 /nfs/dbraw/zinc/54/40/06/497544006.db2.gz JQHZDNMWFSFZEG-SESVDKBCSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394113 497549307 /nfs/dbraw/zinc/54/93/07/497549307.db2.gz ZCJKYPOTVTUFPH-VYIBBNTISA-N 1 3 355.526 3.092 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC[NH2+]1 ZINC000262416336 497552634 /nfs/dbraw/zinc/55/26/34/497552634.db2.gz PYZAXSBVWVMHMU-FPOVZHCZSA-N 1 3 369.553 3.422 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1)CC(C)C ZINC000572231635 505920422 /nfs/dbraw/zinc/92/04/22/505920422.db2.gz WUGKRNRXUWDGLG-UHFFFAOYSA-N 1 3 363.546 3.392 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1)CC(C)C ZINC000572231635 505920427 /nfs/dbraw/zinc/92/04/27/505920427.db2.gz WUGKRNRXUWDGLG-UHFFFAOYSA-N 1 3 363.546 3.392 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659667 /nfs/dbraw/zinc/65/96/67/497659667.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659670 /nfs/dbraw/zinc/65/96/70/497659670.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659673 /nfs/dbraw/zinc/65/96/73/497659673.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659676 /nfs/dbraw/zinc/65/96/76/497659676.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 1 3 356.432 3.025 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000268029932 497662356 /nfs/dbraw/zinc/66/23/56/497662356.db2.gz XJNSFYQYGUYMNS-UHFFFAOYSA-N 1 3 355.482 3.079 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979252 497705732 /nfs/dbraw/zinc/70/57/32/497705732.db2.gz YZMJPLWHCCUQKN-BBRMVZONSA-N 1 3 359.495 3.169 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979252 497705737 /nfs/dbraw/zinc/70/57/37/497705737.db2.gz YZMJPLWHCCUQKN-BBRMVZONSA-N 1 3 359.495 3.169 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705717 497707710 /nfs/dbraw/zinc/70/77/10/497707710.db2.gz GMUJLTCWMLYYCA-MAUKXSAKSA-N 1 3 364.559 3.081 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705717 497707714 /nfs/dbraw/zinc/70/77/14/497707714.db2.gz GMUJLTCWMLYYCA-MAUKXSAKSA-N 1 3 364.559 3.081 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246438673 497734531 /nfs/dbraw/zinc/73/45/31/497734531.db2.gz NSGDMPJWBDHUGM-UXHICEINSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246438673 497734538 /nfs/dbraw/zinc/73/45/38/497734538.db2.gz NSGDMPJWBDHUGM-UXHICEINSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000246515036 497760071 /nfs/dbraw/zinc/76/00/71/497760071.db2.gz KBBLEVXWIPYYMP-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000246515036 497760079 /nfs/dbraw/zinc/76/00/79/497760079.db2.gz KBBLEVXWIPYYMP-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)CC2 ZINC000246533981 497766579 /nfs/dbraw/zinc/76/65/79/497766579.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)CC2 ZINC000246533981 497766582 /nfs/dbraw/zinc/76/65/82/497766582.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 1 3 372.557 3.164 20 0 FGADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246864618 497817328 /nfs/dbraw/zinc/81/73/28/497817328.db2.gz CELDILCCWVKBCH-FHWLQOOXSA-N 1 3 361.530 3.191 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296395 497885870 /nfs/dbraw/zinc/88/58/70/497885870.db2.gz BWUBIUZTEQNGLV-IRLDBZIGSA-N 1 3 361.493 3.358 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296395 497885873 /nfs/dbraw/zinc/88/58/73/497885873.db2.gz BWUBIUZTEQNGLV-IRLDBZIGSA-N 1 3 361.493 3.358 20 0 FGADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c2ccccc21 ZINC000575214177 505943527 /nfs/dbraw/zinc/94/35/27/505943527.db2.gz YRMXVTAGDRVWOE-OAHLLOKOSA-N 1 3 369.484 3.373 20 0 FGADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000578486970 505951605 /nfs/dbraw/zinc/95/16/05/505951605.db2.gz COBZFXPPRNDUCB-JOCHJYFZSA-N 1 3 356.485 3.026 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cncc(Br)c1 ZINC000578523919 505960975 /nfs/dbraw/zinc/96/09/75/505960975.db2.gz VLQYBRRDMKKGOC-KFWWJZLASA-N 1 3 370.335 3.384 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329766 505962470 /nfs/dbraw/zinc/96/24/70/505962470.db2.gz FBNBBAWCXSAUSD-VQTJNVASSA-N 1 3 361.530 3.067 20 0 FGADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329766 505962472 /nfs/dbraw/zinc/96/24/72/505962472.db2.gz FBNBBAWCXSAUSD-VQTJNVASSA-N 1 3 361.530 3.067 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccc(C)cc4C3)CC2)CC1 ZINC000578547865 505965174 /nfs/dbraw/zinc/96/51/74/505965174.db2.gz GATYTBKKFQSUSW-UHFFFAOYSA-N 1 3 355.526 3.034 20 0 FGADHO Oc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000285358781 498062610 /nfs/dbraw/zinc/06/26/10/498062610.db2.gz VOAAOCFEJOJSQH-WIYYLYMNSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000285358781 498062605 /nfs/dbraw/zinc/06/26/05/498062605.db2.gz VOAAOCFEJOJSQH-WIYYLYMNSA-N 1 3 352.478 3.126 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2F)CC1 ZINC000569596215 505972762 /nfs/dbraw/zinc/97/27/62/505972762.db2.gz ZVCMODVMNWWHHU-PXNSSMCTSA-N 1 3 372.484 3.381 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572464972 505975195 /nfs/dbraw/zinc/97/51/95/505975195.db2.gz VUPILOQFXCPOGK-IYBDPMFKSA-N 1 3 358.530 3.210 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572464972 505975199 /nfs/dbraw/zinc/97/51/99/505975199.db2.gz VUPILOQFXCPOGK-IYBDPMFKSA-N 1 3 358.530 3.210 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)c4ccccc4c3)CC2)CC1 ZINC000578621313 505982758 /nfs/dbraw/zinc/98/27/58/505982758.db2.gz DBEDIBDQLKPNKP-UHFFFAOYSA-N 1 3 369.484 3.267 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511959 505986706 /nfs/dbraw/zinc/98/67/06/505986706.db2.gz IQYNNZKZTPUIHW-DLBZAZTESA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511959 505986711 /nfs/dbraw/zinc/98/67/11/505986711.db2.gz IQYNNZKZTPUIHW-DLBZAZTESA-N 1 3 364.534 3.225 20 0 FGADHO Cc1ccc2cc(C[NH+]3CCC(CN4CCN(C)CC4)CC3)ccc2n1 ZINC000289463340 498156389 /nfs/dbraw/zinc/15/63/89/498156389.db2.gz ORKSSPDCCFZIMS-UHFFFAOYSA-N 1 3 352.526 3.003 20 0 FGADHO C[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285791417 498201398 /nfs/dbraw/zinc/20/13/98/498201398.db2.gz UTOISRHWWAKOFN-MRXNPFEDSA-N 1 3 362.477 3.349 20 0 FGADHO CN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701028 505996794 /nfs/dbraw/zinc/99/67/94/505996794.db2.gz QJBPXSUOFMEZEE-FCHUYYIVSA-N 1 3 363.505 3.458 20 0 FGADHO COCCOCc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000289708997 498258678 /nfs/dbraw/zinc/25/86/78/498258678.db2.gz LCCVMYXPOFHKDE-UHFFFAOYSA-N 1 3 372.509 3.080 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969649 498376105 /nfs/dbraw/zinc/37/61/05/498376105.db2.gz XJFKWRVNLWFSNH-ZNMIVQPWSA-N 1 3 370.335 3.384 20 0 FGADHO Cn1c(CNC2CCN(c3cc[nH+]cc3)CC2)nc2cc(Cl)ccc21 ZINC000297356876 498418152 /nfs/dbraw/zinc/41/81/52/498418152.db2.gz FLWSAGLUAYJUHG-UHFFFAOYSA-N 1 3 355.873 3.380 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000578860247 506039163 /nfs/dbraw/zinc/03/91/63/506039163.db2.gz OTCMSMNNJFLCTC-KRWDZBQOSA-N 1 3 354.922 3.070 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000290252993 498483472 /nfs/dbraw/zinc/48/34/72/498483472.db2.gz KAEQSPLZZRABJC-MSOLQXFVSA-N 1 3 362.514 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000290252993 498483476 /nfs/dbraw/zinc/48/34/76/498483476.db2.gz KAEQSPLZZRABJC-MSOLQXFVSA-N 1 3 362.514 3.279 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000365709727 498608530 /nfs/dbraw/zinc/60/85/30/498608530.db2.gz FLLRHUXDRSZUIK-LNXHZJMOSA-N 1 3 364.578 3.154 20 0 FGADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639099 /nfs/dbraw/zinc/63/90/99/498639099.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639104 /nfs/dbraw/zinc/63/91/04/498639104.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000303067020 498645704 /nfs/dbraw/zinc/64/57/04/498645704.db2.gz NKBKGAWTJOFAPV-VAMGGRTRSA-N 1 3 366.594 3.164 20 0 FGADHO CCN(CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000303140422 498651039 /nfs/dbraw/zinc/65/10/39/498651039.db2.gz DMIMLPCQFMGSDX-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130648 498673277 /nfs/dbraw/zinc/67/32/77/498673277.db2.gz PZNSEVRUTUIQSQ-ICSRJNTNSA-N 1 3 357.542 3.075 20 0 FGADHO C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130648 498673282 /nfs/dbraw/zinc/67/32/82/498673282.db2.gz PZNSEVRUTUIQSQ-ICSRJNTNSA-N 1 3 357.542 3.075 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303506435 498683557 /nfs/dbraw/zinc/68/35/57/498683557.db2.gz AZOJUXMUPBCFNU-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303506435 498683563 /nfs/dbraw/zinc/68/35/63/498683563.db2.gz AZOJUXMUPBCFNU-SFTDATJTSA-N 1 3 372.557 3.387 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@H]3CCCN(C)C3)CC2)CC1 ZINC000363220829 498709822 /nfs/dbraw/zinc/70/98/22/498709822.db2.gz IJCFZVIZTOHAHG-FDYSRKEFSA-N 1 3 364.578 3.013 20 0 FGADHO CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287369539 498733132 /nfs/dbraw/zinc/73/31/32/498733132.db2.gz SUIFNWDSKOUHIE-JKWVGCSGSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287369539 498733142 /nfs/dbraw/zinc/73/31/42/498733142.db2.gz SUIFNWDSKOUHIE-JKWVGCSGSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311496206 498751967 /nfs/dbraw/zinc/75/19/67/498751967.db2.gz VSIYOHVPLXRUAO-SFTDATJTSA-N 1 3 351.494 3.200 20 0 FGADHO NC(=O)c1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000311953570 498757209 /nfs/dbraw/zinc/75/72/09/498757209.db2.gz KBJOUGBPKUDMMQ-HXUWFJFHSA-N 1 3 351.494 3.177 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294666974 498766726 /nfs/dbraw/zinc/76/67/26/498766726.db2.gz HNNFFPMPSBSXMF-HBMCJLEFSA-N 1 3 374.525 3.282 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090493 /nfs/dbraw/zinc/09/04/93/506090493.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 1 3 363.571 3.211 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090498 /nfs/dbraw/zinc/09/04/98/506090498.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 1 3 363.571 3.211 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 ZINC000291113147 498800835 /nfs/dbraw/zinc/80/08/35/498800835.db2.gz KOIBLAPAZFMQTC-TWHAJKEOSA-N 1 3 371.569 3.007 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 ZINC000291113143 498801050 /nfs/dbraw/zinc/80/10/50/498801050.db2.gz KOIBLAPAZFMQTC-QQUTXWOLSA-N 1 3 371.569 3.007 20 0 FGADHO OC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000572962266 506092527 /nfs/dbraw/zinc/09/25/27/506092527.db2.gz BHFYXKBOPMSHHR-SFHVURJKSA-N 1 3 365.399 3.392 20 0 FGADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(C(=O)OC)cc1 ZINC000294836191 498821416 /nfs/dbraw/zinc/82/14/16/498821416.db2.gz RMAJLSZTLYLONT-IBGZPJMESA-N 1 3 371.481 3.050 20 0 FGADHO NC(=O)c1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000291499828 498965946 /nfs/dbraw/zinc/96/59/46/498965946.db2.gz VAOLNNIMVXHZMW-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362790 498991631 /nfs/dbraw/zinc/99/16/31/498991631.db2.gz XUEMVKZANZUOAB-PMACEKPBSA-N 1 3 374.525 3.096 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063304 506125174 /nfs/dbraw/zinc/12/51/74/506125174.db2.gz WZQCXCOKXYZREM-RTWAWAEBSA-N 1 3 355.526 3.062 20 0 FGADHO COCCC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCCCC1 ZINC000363845833 499023302 /nfs/dbraw/zinc/02/33/02/499023302.db2.gz SUNABNARQYRWJY-UHFFFAOYSA-N 1 3 365.606 3.464 20 0 FGADHO CN1CCCC[C@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877668 499035933 /nfs/dbraw/zinc/03/59/33/499035933.db2.gz DUMFWMDSNIMMMH-OALUTQOASA-N 1 3 371.573 3.448 20 0 FGADHO COc1ccc([C@@H](C)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363887358 499040916 /nfs/dbraw/zinc/04/09/16/499040916.db2.gz KTHANBFZDKBIPD-IBGZPJMESA-N 1 3 359.558 3.148 20 0 FGADHO CO[C@H](CN(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000284293801 499084218 /nfs/dbraw/zinc/08/42/18/499084218.db2.gz GGKWUTFDWUCDAB-JOCHJYFZSA-N 1 3 353.510 3.408 20 0 FGADHO CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307382 499085924 /nfs/dbraw/zinc/08/59/24/499085924.db2.gz ZDKWMQCPYPKGMV-UXHICEINSA-N 1 3 364.555 3.118 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000369872921 499143142 /nfs/dbraw/zinc/14/31/42/499143142.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000369872921 499143145 /nfs/dbraw/zinc/14/31/45/499143145.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000369882887 499144376 /nfs/dbraw/zinc/14/43/76/499144376.db2.gz NYKFUTGPHAHLDB-RHSMWYFYSA-N 1 3 366.347 3.268 20 0 FGADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000370087011 499177763 /nfs/dbraw/zinc/17/77/63/499177763.db2.gz NFUUPMWDRDIHGA-UHFFFAOYSA-N 1 3 366.509 3.302 20 0 FGADHO CCN(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000576346448 506136454 /nfs/dbraw/zinc/13/64/54/506136454.db2.gz OXAINAPSUHOVQD-LPHOPBHVSA-N 1 3 361.505 3.057 20 0 FGADHO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1OC ZINC000370163829 499191160 /nfs/dbraw/zinc/19/11/60/499191160.db2.gz UHDQTJDSNZZZAB-SCLBCKFNSA-N 1 3 374.510 3.395 20 0 FGADHO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000367522312 499208650 /nfs/dbraw/zinc/20/86/50/499208650.db2.gz DSUPHQRHODLIJH-HIEASXQVSA-N 1 3 351.535 3.286 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566061 499213158 /nfs/dbraw/zinc/21/31/58/499213158.db2.gz RMYHSYUCJSNJCR-KAOXLYBCSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566061 499213159 /nfs/dbraw/zinc/21/31/59/499213159.db2.gz RMYHSYUCJSNJCR-KAOXLYBCSA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566061 499213161 /nfs/dbraw/zinc/21/31/61/499213161.db2.gz RMYHSYUCJSNJCR-KAOXLYBCSA-N 1 3 365.521 3.048 20 0 FGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592825 499215957 /nfs/dbraw/zinc/21/59/57/499215957.db2.gz GWDGOQHNUYKWSF-CTNGQTDRSA-N 1 3 370.541 3.273 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625481 499236740 /nfs/dbraw/zinc/23/67/40/499236740.db2.gz YLNVFFIVDRCBSG-LSDHHAIUSA-N 1 3 366.347 3.268 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625481 499236741 /nfs/dbraw/zinc/23/67/41/499236741.db2.gz YLNVFFIVDRCBSG-LSDHHAIUSA-N 1 3 366.347 3.268 20 0 FGADHO Fc1cncc(CN2CCC3(C2)CC[NH+](Cc2cncc(F)c2)CC3)c1 ZINC000370673959 499243059 /nfs/dbraw/zinc/24/30/59/499243059.db2.gz RAWPEOWGUUUQQH-UHFFFAOYSA-N 1 3 358.436 3.243 20 0 FGADHO CN1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773612 499253100 /nfs/dbraw/zinc/25/31/00/499253100.db2.gz OXGXKOXCHMHSQK-RHSMWYFYSA-N 1 3 371.447 3.332 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000370772363 499253302 /nfs/dbraw/zinc/25/33/02/499253302.db2.gz KXQMKGQKAYHQQW-XXGVUKKKSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@@H](N)c1ccccc1 ZINC000370772363 499253303 /nfs/dbraw/zinc/25/33/03/499253303.db2.gz KXQMKGQKAYHQQW-XXGVUKKKSA-N 1 3 363.505 3.084 20 0 FGADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007227 499254333 /nfs/dbraw/zinc/25/43/33/499254333.db2.gz PMZLKRGYDNOHTM-IIBYNOLFSA-N 1 3 352.526 3.303 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100535 499264324 /nfs/dbraw/zinc/26/43/24/499264324.db2.gz HTOVSMOKMIGGOL-CRAIPNDOSA-N 1 3 356.514 3.468 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101922 499264486 /nfs/dbraw/zinc/26/44/86/499264486.db2.gz LQYAVKQBNLCZCD-YRPNKDGESA-N 1 3 350.510 3.157 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230378 499300345 /nfs/dbraw/zinc/30/03/45/499300345.db2.gz LVEMRSIVDKPLSR-QAPCUYQASA-N 1 3 355.482 3.099 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514897 499336762 /nfs/dbraw/zinc/33/67/62/499336762.db2.gz QTEMSFAKMBODGT-NBHGPNQESA-N 1 3 362.481 3.006 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514897 499336764 /nfs/dbraw/zinc/33/67/64/499336764.db2.gz QTEMSFAKMBODGT-NBHGPNQESA-N 1 3 362.481 3.006 20 0 FGADHO Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000372348723 499423770 /nfs/dbraw/zinc/42/37/70/499423770.db2.gz QSRVMQPSTUMWDZ-QUCCMNQESA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348723 499423771 /nfs/dbraw/zinc/42/37/71/499423771.db2.gz QSRVMQPSTUMWDZ-QUCCMNQESA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348723 499423773 /nfs/dbraw/zinc/42/37/73/499423773.db2.gz QSRVMQPSTUMWDZ-QUCCMNQESA-N 1 3 366.509 3.219 20 0 FGADHO Cc1nc([C@@H](C)[NH2+]CC2(N3CCN(C)CC3)CCCCCC2)cs1 ZINC000378199987 499489834 /nfs/dbraw/zinc/48/98/34/499489834.db2.gz KBBWQUCIGGNYHQ-MRXNPFEDSA-N 1 3 350.576 3.443 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccsc1 ZINC000378207995 499490434 /nfs/dbraw/zinc/49/04/34/499490434.db2.gz DZZYTIYZTVJXTI-IBGZPJMESA-N 1 3 374.554 3.287 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000375325326 499507464 /nfs/dbraw/zinc/50/74/64/499507464.db2.gz ZCBBEKFJSUXOIH-UHFFFAOYSA-N 1 3 373.589 3.060 20 0 FGADHO CC(C)[C@@H](O)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000378447939 499517990 /nfs/dbraw/zinc/51/79/90/499517990.db2.gz CKSQNCGQEVKSQC-OAQYLSRUSA-N 1 3 359.558 3.104 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000378523450 499527698 /nfs/dbraw/zinc/52/76/98/499527698.db2.gz NZXPAJAHAPHMGI-SFHVURJKSA-N 1 3 351.922 3.169 20 0 FGADHO CC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000397495092 499564180 /nfs/dbraw/zinc/56/41/80/499564180.db2.gz DBPGJSMEAUBKQB-IBGZPJMESA-N 1 3 357.473 3.289 20 0 FGADHO COc1ccccc1C[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397560838 499564432 /nfs/dbraw/zinc/56/44/32/499564432.db2.gz RIEFYUFCMUBACL-LJQANCHMSA-N 1 3 368.521 3.243 20 0 FGADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000376562266 499618932 /nfs/dbraw/zinc/61/89/32/499618932.db2.gz QSLICGBXXVWXKP-IBGZPJMESA-N 1 3 373.516 3.028 20 0 FGADHO [NH3+]C[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000410091929 499640732 /nfs/dbraw/zinc/64/07/32/499640732.db2.gz WQNWANFASCXCRS-UXHICEINSA-N 1 3 362.477 3.344 20 0 FGADHO COc1cc([C@@H](C)[N@H+](C)C2CCN(C3CCOCC3)CC2)ccc1F ZINC000377649357 499715317 /nfs/dbraw/zinc/71/53/17/499715317.db2.gz MHKOWVVAEFCPRH-OAHLLOKOSA-N 1 3 350.478 3.471 20 0 FGADHO COc1cc([C@@H](C)[N@@H+](C)C2CCN(C3CCOCC3)CC2)ccc1F ZINC000377649357 499715318 /nfs/dbraw/zinc/71/53/18/499715318.db2.gz MHKOWVVAEFCPRH-OAHLLOKOSA-N 1 3 350.478 3.471 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000377652255 499715841 /nfs/dbraw/zinc/71/58/41/499715841.db2.gz TVIWURZWBVBBAH-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO c1cn(C[C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391842 499733183 /nfs/dbraw/zinc/73/31/83/499733183.db2.gz BVFJIJNJVAYGEM-OAQYLSRUSA-N 1 3 353.514 3.176 20 0 FGADHO COC(=O)c1cc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000411429564 499739354 /nfs/dbraw/zinc/73/93/54/499739354.db2.gz RDKNZGXGCCCPHM-UHFFFAOYSA-N 1 3 359.495 3.278 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000411488439 499746885 /nfs/dbraw/zinc/74/68/85/499746885.db2.gz YJUQQTWZMVFVNV-OAQYLSRUSA-N 1 3 357.542 3.498 20 0 FGADHO Cc1c([C@H]2OCC[C@@H]2NCc2cccc(C[NH+]3CCCCC3)c2)cnn1C ZINC000411573346 499764941 /nfs/dbraw/zinc/76/49/41/499764941.db2.gz KFUYTACLZAGAGC-FCHUYYIVSA-N 1 3 368.525 3.334 20 0 FGADHO C[C@H](CCC1CCCCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194120 499767438 /nfs/dbraw/zinc/76/74/38/499767438.db2.gz NIUAIONJDJSTBM-LJQANCHMSA-N 1 3 351.579 3.122 20 0 FGADHO CC(CCN1CCc2ncsc2C1)CC[N@@H+]1CCc2ncsc2C1 ZINC000411602053 499767912 /nfs/dbraw/zinc/76/79/12/499767912.db2.gz BKWNYKNHKRLTLW-UHFFFAOYSA-N 1 3 362.568 3.432 20 0 FGADHO CC(CCN1CCc2ncsc2C1)CC[N@H+]1CCc2ncsc2C1 ZINC000411602053 499767914 /nfs/dbraw/zinc/76/79/14/499767914.db2.gz BKWNYKNHKRLTLW-UHFFFAOYSA-N 1 3 362.568 3.432 20 0 FGADHO OC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414299509 499775305 /nfs/dbraw/zinc/77/53/05/499775305.db2.gz HXRXNPLVWLRUCO-OAQYLSRUSA-N 1 3 369.484 3.289 20 0 FGADHO OC1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC000414302195 499775723 /nfs/dbraw/zinc/77/57/23/499775723.db2.gz KGTOFJGIRMILPQ-FDFHNCONSA-N 1 3 372.553 3.198 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756644 499787097 /nfs/dbraw/zinc/78/70/97/499787097.db2.gz KECQLHCGISNHHG-PGRDOPGGSA-N 1 3 365.521 3.420 20 0 FGADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1C ZINC000414521724 499802659 /nfs/dbraw/zinc/80/26/59/499802659.db2.gz FQPJAJUXLDWXQN-UHFFFAOYSA-N 1 3 354.494 3.120 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674612 499819433 /nfs/dbraw/zinc/81/94/33/499819433.db2.gz KVBZWGSZNJRDJR-GOSISDBHSA-N 1 3 351.494 3.002 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674612 499819434 /nfs/dbraw/zinc/81/94/34/499819434.db2.gz KVBZWGSZNJRDJR-GOSISDBHSA-N 1 3 351.494 3.002 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683483 499820182 /nfs/dbraw/zinc/82/01/82/499820182.db2.gz BGUVHNFOSZTNLF-DYESRHJHSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683483 499820184 /nfs/dbraw/zinc/82/01/84/499820184.db2.gz BGUVHNFOSZTNLF-DYESRHJHSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695186 499820976 /nfs/dbraw/zinc/82/09/76/499820976.db2.gz OIAIQVXMNHBCEH-INIZCTEOSA-N 1 3 363.933 3.282 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695186 499820978 /nfs/dbraw/zinc/82/09/78/499820978.db2.gz OIAIQVXMNHBCEH-INIZCTEOSA-N 1 3 363.933 3.282 20 0 FGADHO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717652 499822571 /nfs/dbraw/zinc/82/25/71/499822571.db2.gz ZSVMGCQPFITQMB-ZDUSSCGKSA-N 1 3 372.340 3.101 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414806442 499833185 /nfs/dbraw/zinc/83/31/85/499833185.db2.gz BSZGTJUTGPVBHU-HUUCEWRRSA-N 1 3 371.481 3.230 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414850900 499837950 /nfs/dbraw/zinc/83/79/50/499837950.db2.gz IREDPESJBRLSEM-RDBSUJKOSA-N 1 3 373.419 3.280 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414920472 499844456 /nfs/dbraw/zinc/84/44/56/499844456.db2.gz ZLVKSOANFHAATL-HNAYVOBHSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920472 499844458 /nfs/dbraw/zinc/84/44/58/499844458.db2.gz ZLVKSOANFHAATL-HNAYVOBHSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccccc2Br)CC1 ZINC000414924644 499844981 /nfs/dbraw/zinc/84/49/81/499844981.db2.gz IWKDWHLKKCMPFA-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990688 499852114 /nfs/dbraw/zinc/85/21/14/499852114.db2.gz AKQJWJVLRTUAOO-NEPJUHHUSA-N 1 3 354.285 3.181 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2C)cc1 ZINC000415005258 499854409 /nfs/dbraw/zinc/85/44/09/499854409.db2.gz IZGKQVBPOHVCRH-RBBKRZOGSA-N 1 3 368.525 3.035 20 0 FGADHO [NH3+][C@H]1CCC[C@@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011013 499854870 /nfs/dbraw/zinc/85/48/70/499854870.db2.gz VQJIJMYMRPAGOQ-YPMHNXCESA-N 1 3 354.285 3.181 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C[NH3+])C1CCCC1 ZINC000415043100 499857659 /nfs/dbraw/zinc/85/76/59/499857659.db2.gz ADUQQRDYQKAMSK-KDOFPFPSSA-N 1 3 351.922 3.184 20 0 FGADHO CC[C@H](CCc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415045225 499857712 /nfs/dbraw/zinc/85/77/12/499857712.db2.gz TUFGICIIDWYIBK-SJORKVTESA-N 1 3 355.320 3.128 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415065883 499860349 /nfs/dbraw/zinc/86/03/49/499860349.db2.gz NXHJKXNDLIERJS-KBXCAEBGSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415072270 499861045 /nfs/dbraw/zinc/86/10/45/499861045.db2.gz VZGWKDPABQFTLZ-OCCSQVGLSA-N 1 3 359.392 3.034 20 0 FGADHO c1ccc([C@@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091538 499862418 /nfs/dbraw/zinc/86/24/18/499862418.db2.gz QQSIYCACODWEDC-RJGXRXQPSA-N 1 3 365.521 3.143 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123568 499866762 /nfs/dbraw/zinc/86/67/62/499866762.db2.gz LGBXXHJWGRFFPY-FUHWJXTLSA-N 1 3 372.431 3.346 20 0 FGADHO C[C@@]1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[NH2+]C1 ZINC000415302322 499884740 /nfs/dbraw/zinc/88/47/40/499884740.db2.gz CBUCVQYANHJVGX-OAQYLSRUSA-N 1 3 374.529 3.063 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886443 499924424 /nfs/dbraw/zinc/92/44/24/499924424.db2.gz UXWLBMUGRYFCOJ-ZWKOTPCHSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886443 499924426 /nfs/dbraw/zinc/92/44/26/499924426.db2.gz UXWLBMUGRYFCOJ-ZWKOTPCHSA-N 1 3 370.541 3.451 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000415926728 499929398 /nfs/dbraw/zinc/92/93/98/499929398.db2.gz BZNTTWSUQLFQHA-FQEVSTJZSA-N 1 3 354.498 3.091 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000415945147 499931924 /nfs/dbraw/zinc/93/19/24/499931924.db2.gz QWODTLAJTOCXPX-HXUWFJFHSA-N 1 3 352.482 3.192 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954623 499932978 /nfs/dbraw/zinc/93/29/78/499932978.db2.gz KXFLEDOOJAOKHK-WBMJQRKESA-N 1 3 372.435 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954623 499932979 /nfs/dbraw/zinc/93/29/79/499932979.db2.gz KXFLEDOOJAOKHK-WBMJQRKESA-N 1 3 372.435 3.358 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415973798 499935942 /nfs/dbraw/zinc/93/59/42/499935942.db2.gz KMUDUOTWCAVQCV-UHFFFAOYSA-N 1 3 360.889 3.394 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000416023605 499942195 /nfs/dbraw/zinc/94/21/95/499942195.db2.gz ZQMTWFGLXZPFKC-UHFFFAOYSA-N 1 3 352.482 3.453 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H]1COc2ccccc21)C1CCN(C)CC1 ZINC000570429689 506166353 /nfs/dbraw/zinc/16/63/53/506166353.db2.gz XQULHXCQBQPBIL-LJQANCHMSA-N 1 3 365.521 3.483 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000417103367 499973538 /nfs/dbraw/zinc/97/35/38/499973538.db2.gz DAQCPBOGDGEBGV-UWJYYQICSA-N 1 3 366.509 3.170 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000416195018 499977306 /nfs/dbraw/zinc/97/73/06/499977306.db2.gz USRXSWKQLCQCQI-NRFANRHFSA-N 1 3 366.509 3.107 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417178175 499996184 /nfs/dbraw/zinc/99/61/84/499996184.db2.gz MJJXLDUKAUEQOY-HXUWFJFHSA-N 1 3 368.525 3.402 20 0 FGADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1cccs1 ZINC000576509024 506175375 /nfs/dbraw/zinc/17/53/75/506175375.db2.gz OEYPCHUTRYCNMI-LJQANCHMSA-N 1 3 360.523 3.011 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458629 500112016 /nfs/dbraw/zinc/11/20/16/500112016.db2.gz MQSLAZIDBVFOTG-LJQANCHMSA-N 1 3 358.530 3.019 20 0 FGADHO C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000417578066 500114862 /nfs/dbraw/zinc/11/48/62/500114862.db2.gz KMRKVPOMCISYGX-IBGZPJMESA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416829233 500131567 /nfs/dbraw/zinc/13/15/67/500131567.db2.gz FOXKLIMUICKSGX-IAGOWNOFSA-N 1 3 366.575 3.338 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000414065629 500142538 /nfs/dbraw/zinc/14/25/38/500142538.db2.gz GFHLXSLBXDIQPR-GHTZIAJQSA-N 1 3 353.510 3.175 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccsc1 ZINC000417006545 500182203 /nfs/dbraw/zinc/18/22/03/500182203.db2.gz JSTUHQWMTRJDOX-BHYGNILZSA-N 1 3 352.548 3.042 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369246 506181541 /nfs/dbraw/zinc/18/15/41/506181541.db2.gz ADDVDBDAVQXSCV-XLIONFOSSA-N 1 3 357.542 3.071 20 0 FGADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CCN(C)C4)C3)o2)cc1 ZINC000430128664 500197209 /nfs/dbraw/zinc/19/72/09/500197209.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 1 3 354.450 3.261 20 0 FGADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CCN(C)C4)C3)o2)cc1 ZINC000430128664 500197211 /nfs/dbraw/zinc/19/72/11/500197211.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 1 3 354.450 3.261 20 0 FGADHO C[NH+](C)CCOCCNCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000422082915 500212586 /nfs/dbraw/zinc/21/25/86/500212586.db2.gz GOHOYMZITITPTB-UHFFFAOYSA-N 1 3 356.514 3.333 20 0 FGADHO COCC[C@@H](c1ccccc1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958035 500216682 /nfs/dbraw/zinc/21/66/82/500216682.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 1 3 368.521 3.333 20 0 FGADHO COCC[C@@H](c1ccccc1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958035 500216683 /nfs/dbraw/zinc/21/66/83/500216683.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 1 3 368.521 3.333 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418181904 500243702 /nfs/dbraw/zinc/24/37/02/500243702.db2.gz JIHDOTCXSBNMKI-PMACEKPBSA-N 1 3 354.498 3.013 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418181904 500243704 /nfs/dbraw/zinc/24/37/04/500243704.db2.gz JIHDOTCXSBNMKI-PMACEKPBSA-N 1 3 354.498 3.013 20 0 FGADHO C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418190127 500245819 /nfs/dbraw/zinc/24/58/19/500245819.db2.gz WBMGJUDWUPRXPN-IOMROCGXSA-N 1 3 368.525 3.457 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)N(CC)CC)cc1 ZINC000418215426 500250506 /nfs/dbraw/zinc/25/05/06/500250506.db2.gz MXBYOKLNSQDBDL-VDGAXYAQSA-N 1 3 360.546 3.011 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418216221 500250568 /nfs/dbraw/zinc/25/05/68/500250568.db2.gz NXVMDBIYMGLERU-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418362032 500268337 /nfs/dbraw/zinc/26/83/37/500268337.db2.gz UVSHNKXEAPKYBX-PMACEKPBSA-N 1 3 358.530 3.080 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418496074 500283761 /nfs/dbraw/zinc/28/37/61/500283761.db2.gz CIXBNUAVZVUUJR-LJQANCHMSA-N 1 3 354.498 3.013 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714544 500288515 /nfs/dbraw/zinc/28/85/15/500288515.db2.gz LAFLKYSAWTVPAZ-MONBJTKQSA-N 1 3 363.505 3.283 20 0 FGADHO COc1cccc(OC)c1Oc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422725861 500290198 /nfs/dbraw/zinc/29/01/98/500290198.db2.gz YUIKBXGQQIMWBB-SJORKVTESA-N 1 3 371.481 3.498 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422731256 500291755 /nfs/dbraw/zinc/29/17/55/500291755.db2.gz GPUFHYGOINUUSX-XKQJLSEDSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(Br)cc2)CCC1 ZINC000422731256 500291758 /nfs/dbraw/zinc/29/17/58/500291758.db2.gz GPUFHYGOINUUSX-XKQJLSEDSA-N 1 3 367.331 3.213 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422745633 500293313 /nfs/dbraw/zinc/29/33/13/500293313.db2.gz MPXOICSOSCCVLY-WLRLJWMZSA-N 1 3 357.542 3.342 20 0 FGADHO CN(C)Cc1cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746275 500293794 /nfs/dbraw/zinc/29/37/94/500293794.db2.gz NOZZTTJKSZXAAH-IRLDBZIGSA-N 1 3 369.484 3.233 20 0 FGADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422820153 500301940 /nfs/dbraw/zinc/30/19/40/500301940.db2.gz PEHVWSDYTQGOHA-SFHVURJKSA-N 1 3 368.525 3.216 20 0 FGADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000422833318 500303064 /nfs/dbraw/zinc/30/30/64/500303064.db2.gz MLCSEVBJRQDLAB-BRWVUGGUSA-N 1 3 370.463 3.225 20 0 FGADHO FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)nc1 ZINC000422833318 500303070 /nfs/dbraw/zinc/30/30/70/500303070.db2.gz MLCSEVBJRQDLAB-BRWVUGGUSA-N 1 3 370.463 3.225 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841078 500303979 /nfs/dbraw/zinc/30/39/79/500303979.db2.gz VDNHBYDQZFHJCD-LBRJOISOSA-N 1 3 360.420 3.205 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672625 500304845 /nfs/dbraw/zinc/30/48/45/500304845.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672625 500304846 /nfs/dbraw/zinc/30/48/46/500304846.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 1 3 367.537 3.128 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422851672 500306215 /nfs/dbraw/zinc/30/62/15/500306215.db2.gz PKSATYBRCLQWHR-IYWMVGAKSA-N 1 3 357.542 3.422 20 0 FGADHO COc1cccc(N2CC[C@H](CN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422907342 500314435 /nfs/dbraw/zinc/31/44/35/500314435.db2.gz XAXVPJKMFPAYOS-SFGWALBWSA-N 1 3 353.510 3.070 20 0 FGADHO COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422906872 500314469 /nfs/dbraw/zinc/31/44/69/500314469.db2.gz VXYZFYQMHVUWER-RDJZCZTQSA-N 1 3 354.498 3.034 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927669 500318331 /nfs/dbraw/zinc/31/83/31/500318331.db2.gz ZNLFWXXMPWSSDK-CVDCTZTESA-N 1 3 366.553 3.195 20 0 FGADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422938474 500319893 /nfs/dbraw/zinc/31/98/93/500319893.db2.gz PPLPKUJSWVPSJC-NHCUHLMSSA-N 1 3 367.493 3.024 20 0 FGADHO C[C@@H](NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422949886 500322248 /nfs/dbraw/zinc/32/22/48/500322248.db2.gz UWGCSIAVELIDRO-IIDMSEBBSA-N 1 3 366.347 3.396 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422951284 500322351 /nfs/dbraw/zinc/32/23/51/500322351.db2.gz XVYCWHARBYYVQZ-RVKKMQEKSA-N 1 3 366.347 3.383 20 0 FGADHO Fc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960784 500324017 /nfs/dbraw/zinc/32/40/17/500324017.db2.gz XRTGZZXPSFVZLV-UYAOXDASSA-N 1 3 360.404 3.189 20 0 FGADHO COc1ccc(COCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986717 500326938 /nfs/dbraw/zinc/32/69/38/500326938.db2.gz HEPXKKYAPXLAID-IFMALSPDSA-N 1 3 368.477 3.057 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423024544 500332234 /nfs/dbraw/zinc/33/22/34/500332234.db2.gz LYJBRPMLYYEUPB-CJMONDIMSA-N 1 3 360.452 3.223 20 0 FGADHO CCCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431088705 500334637 /nfs/dbraw/zinc/33/46/37/500334637.db2.gz YHXZPQGFPJZXBS-UHFFFAOYSA-N 1 3 357.420 3.498 20 0 FGADHO Fc1cc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(F)c1F ZINC000423047407 500334918 /nfs/dbraw/zinc/33/49/18/500334918.db2.gz VEEYHYFZOMAXHI-XLIONFOSSA-N 1 3 362.395 3.492 20 0 FGADHO c1ccc(COCCC2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052485 500335663 /nfs/dbraw/zinc/33/56/63/500335663.db2.gz QBLRJHCBECDAJK-NJDAHSKKSA-N 1 3 358.526 3.120 20 0 FGADHO c1ccc(COCCC2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052488 500335824 /nfs/dbraw/zinc/33/58/24/500335824.db2.gz QBLRJHCBECDAJK-QHAWAJNXSA-N 1 3 358.526 3.120 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423053294 500336238 /nfs/dbraw/zinc/33/62/38/500336238.db2.gz AHSZAWRRBHSLSK-CQSZACIVSA-N 1 3 358.917 3.211 20 0 FGADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423117481 500344434 /nfs/dbraw/zinc/34/44/34/500344434.db2.gz VRMNIASIVOFPOS-DXBBTUNJSA-N 1 3 369.553 3.121 20 0 FGADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N(CC)CC)cc1 ZINC000423137842 500347197 /nfs/dbraw/zinc/34/71/97/500347197.db2.gz XAUUPLFYDJQHSZ-ODAXIHTASA-N 1 3 373.585 3.379 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147507 500348598 /nfs/dbraw/zinc/34/85/98/500348598.db2.gz CPTQOELELJLIRV-XUWXXGDYSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147507 500348600 /nfs/dbraw/zinc/34/86/00/500348600.db2.gz CPTQOELELJLIRV-XUWXXGDYSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147506 500348604 /nfs/dbraw/zinc/34/86/04/500348604.db2.gz CPTQOELELJLIRV-SIIHOXLZSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147506 500348606 /nfs/dbraw/zinc/34/86/06/500348606.db2.gz CPTQOELELJLIRV-SIIHOXLZSA-N 1 3 360.452 3.121 20 0 FGADHO Cc1ccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242978 500357823 /nfs/dbraw/zinc/35/78/23/500357823.db2.gz FYRKWSQBTFVOOP-LAUBAEHRSA-N 1 3 372.534 3.077 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423338504 500365267 /nfs/dbraw/zinc/36/52/67/500365267.db2.gz RVBRBTBYFMZYPG-QGZVFWFLSA-N 1 3 351.494 3.409 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423446994 500375270 /nfs/dbraw/zinc/37/52/70/500375270.db2.gz CYFIGELGRSUHAS-REDKUUPNSA-N 1 3 367.493 3.244 20 0 FGADHO CCSc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423459869 500375940 /nfs/dbraw/zinc/37/59/40/500375940.db2.gz RNCWINBRXCKPOS-NQYLQCIDSA-N 1 3 361.555 3.096 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482619 500377883 /nfs/dbraw/zinc/37/78/83/500377883.db2.gz PJXVVYZDZOHBFB-YZGWKJHDSA-N 1 3 364.555 3.202 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525236 500382563 /nfs/dbraw/zinc/38/25/63/500382563.db2.gz KGTIXZDABYKZKC-PUGNBPNRSA-N 1 3 359.489 3.286 20 0 FGADHO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000423533159 500383848 /nfs/dbraw/zinc/38/38/48/500383848.db2.gz SLXJBPZOHJHDQZ-VOQZNFBZSA-N 1 3 353.510 3.033 20 0 FGADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1N(C)C ZINC000423576279 500386224 /nfs/dbraw/zinc/38/62/24/500386224.db2.gz QWMJWUYDSRVCOA-IBGZPJMESA-N 1 3 366.553 3.397 20 0 FGADHO [NH3+]C1(CN[C@@H]2CCCc3c(O)cccc32)CCN(Cc2ccccc2)CC1 ZINC000423579892 500386321 /nfs/dbraw/zinc/38/63/21/500386321.db2.gz WVAHLNWHHNSFKO-OAQYLSRUSA-N 1 3 365.521 3.353 20 0 FGADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579942 500386906 /nfs/dbraw/zinc/38/69/06/500386906.db2.gz XBOYRCHWAOAUEU-MRXNPFEDSA-N 1 3 358.917 3.379 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302464 500437329 /nfs/dbraw/zinc/43/73/29/500437329.db2.gz MHXLPXVISYNZHL-XLIONFOSSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302464 500437332 /nfs/dbraw/zinc/43/73/32/500437332.db2.gz MHXLPXVISYNZHL-XLIONFOSSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302464 500437334 /nfs/dbraw/zinc/43/73/34/500437334.db2.gz MHXLPXVISYNZHL-XLIONFOSSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302463 500437622 /nfs/dbraw/zinc/43/76/22/500437622.db2.gz MHXLPXVISYNZHL-PXNSSMCTSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302463 500437626 /nfs/dbraw/zinc/43/76/26/500437626.db2.gz MHXLPXVISYNZHL-PXNSSMCTSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302463 500437627 /nfs/dbraw/zinc/43/76/27/500437627.db2.gz MHXLPXVISYNZHL-PXNSSMCTSA-N 1 3 368.477 3.346 20 0 FGADHO FC(F)(F)c1cccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420309501 500438472 /nfs/dbraw/zinc/43/84/72/500438472.db2.gz UBZZUFAEEIOVDX-INIZCTEOSA-N 1 3 355.448 3.213 20 0 FGADHO C[NH+](C)[C@H](CC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000431894844 500440260 /nfs/dbraw/zinc/44/02/60/500440260.db2.gz VICVZTSOGFVMRA-JOCHJYFZSA-N 1 3 365.521 3.244 20 0 FGADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427873338 500441476 /nfs/dbraw/zinc/44/14/76/500441476.db2.gz KRGWSCRIDCSVEL-INIZCTEOSA-N 1 3 359.436 3.426 20 0 FGADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N(c1ccccc1)C1CCCCC1 ZINC000420326329 500442040 /nfs/dbraw/zinc/44/20/40/500442040.db2.gz CEOIZUNDOMETRN-KDURUIRLSA-N 1 3 355.526 3.284 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374650 500450376 /nfs/dbraw/zinc/45/03/76/500450376.db2.gz HSVQUFXHRPFYDE-ZWKOTPCHSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000420384777 500452284 /nfs/dbraw/zinc/45/22/84/500452284.db2.gz SCUBEINYMCNKSJ-IRLDBZIGSA-N 1 3 354.494 3.437 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420388699 500453698 /nfs/dbraw/zinc/45/36/98/500453698.db2.gz XIGGMZZGPWHWLG-DOMZBBRYSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420388699 500453699 /nfs/dbraw/zinc/45/36/99/500453699.db2.gz XIGGMZZGPWHWLG-DOMZBBRYSA-N 1 3 369.391 3.034 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397321 500455468 /nfs/dbraw/zinc/45/54/68/500455468.db2.gz XHMLQEYCLANCJV-SJLPKXTDSA-N 1 3 372.431 3.303 20 0 FGADHO CC(C)OC1CC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000428081861 500466125 /nfs/dbraw/zinc/46/61/25/500466125.db2.gz YHECSKNQVCFTGU-UHFFFAOYSA-N 1 3 359.558 3.130 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200604 /nfs/dbraw/zinc/20/06/04/506200604.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200608 /nfs/dbraw/zinc/20/06/08/506200608.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 1 3 364.489 3.412 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289016 500481576 /nfs/dbraw/zinc/48/15/76/500481576.db2.gz LGAKHOHVPHNCHT-LJQANCHMSA-N 1 3 357.542 3.198 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292129 500482127 /nfs/dbraw/zinc/48/21/27/500482127.db2.gz OCRPFMINDWNQRU-ROUUACIJSA-N 1 3 365.521 3.481 20 0 FGADHO COc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1OC(C)C ZINC000573460416 506199327 /nfs/dbraw/zinc/19/93/27/506199327.db2.gz FHJKLOJOYQLNSR-UYAOXDASSA-N 1 3 362.514 3.201 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000424427693 500503210 /nfs/dbraw/zinc/50/32/10/500503210.db2.gz QKHIZWHTQHSCJJ-JXFKEZNVSA-N 1 3 352.482 3.238 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000424430915 500503700 /nfs/dbraw/zinc/50/37/00/500503700.db2.gz DVPAFHYBGNTXHB-UTKZUKDTSA-N 1 3 366.509 3.486 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000424439141 500506098 /nfs/dbraw/zinc/50/60/98/500506098.db2.gz REWNTOFNAUQFBB-UZLBHIALSA-N 1 3 352.482 3.238 20 0 FGADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000573482075 506202060 /nfs/dbraw/zinc/20/20/60/506202060.db2.gz FDTVDSXEMGPWIQ-GHTZIAJQSA-N 1 3 370.541 3.065 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)cc3Cl)CC2)CC1 ZINC000420984676 500547709 /nfs/dbraw/zinc/54/77/09/500547709.db2.gz UGLVXJOSNXYIEN-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061930 500568556 /nfs/dbraw/zinc/56/85/56/500568556.db2.gz GKOIQJDIJWEORI-IBGZPJMESA-N 1 3 374.529 3.109 20 0 FGADHO CN1CCC(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)(N2CCCCC2)CC1 ZINC000442766824 500622908 /nfs/dbraw/zinc/62/29/08/500622908.db2.gz LQZHQVKMCLUTMF-GOSISDBHSA-N 1 3 366.553 3.175 20 0 FGADHO CN1CCN(CC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442864511 500636115 /nfs/dbraw/zinc/63/61/15/500636115.db2.gz AAWXZJVCFPPJKD-UHFFFAOYSA-N 1 3 365.565 3.456 20 0 FGADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442869573 500637003 /nfs/dbraw/zinc/63/70/03/500637003.db2.gz DQUCUUDFGYMZJT-MRXNPFEDSA-N 1 3 369.500 3.225 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433344898 500677525 /nfs/dbraw/zinc/67/75/25/500677525.db2.gz VFJYWVWAQJOQJN-OAQYLSRUSA-N 1 3 369.509 3.395 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740828 /nfs/dbraw/zinc/74/08/28/500740828.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 1 3 358.448 3.271 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740831 /nfs/dbraw/zinc/74/08/31/500740831.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 1 3 358.448 3.271 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745900 /nfs/dbraw/zinc/74/59/00/500745900.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745901 /nfs/dbraw/zinc/74/59/01/500745901.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 1 3 358.448 3.415 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443679115 500754830 /nfs/dbraw/zinc/75/48/30/500754830.db2.gz FDRXBCYNZDLVGO-QGZVFWFLSA-N 1 3 354.583 3.116 20 0 FGADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000438209620 500755046 /nfs/dbraw/zinc/75/50/46/500755046.db2.gz DAGHXSJHSNYSAG-IAGOWNOFSA-N 1 3 370.463 3.304 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939162 500768490 /nfs/dbraw/zinc/76/84/90/500768490.db2.gz GNBUVXUWJYWOHM-HXUWFJFHSA-N 1 3 362.562 3.100 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660295 506219461 /nfs/dbraw/zinc/21/94/61/506219461.db2.gz DVQKBLGEIRCFQL-WOIUINJBSA-N 1 3 371.569 3.128 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660295 506219466 /nfs/dbraw/zinc/21/94/66/506219466.db2.gz DVQKBLGEIRCFQL-WOIUINJBSA-N 1 3 371.569 3.128 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@H]4CCC[C@@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146047 500863773 /nfs/dbraw/zinc/86/37/73/500863773.db2.gz LADUXSVXIHBRPZ-UZLBHIALSA-N 1 3 359.562 3.320 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000439177352 500866607 /nfs/dbraw/zinc/86/66/07/500866607.db2.gz LEYIMLYOUWIEEI-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCCC[C@H]1C ZINC000439177352 500866609 /nfs/dbraw/zinc/86/66/09/500866609.db2.gz LEYIMLYOUWIEEI-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000444890220 500918276 /nfs/dbraw/zinc/91/82/76/500918276.db2.gz VOOIHIMCXPAHPZ-NRFANRHFSA-N 1 3 372.557 3.025 20 0 FGADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449076621 500918478 /nfs/dbraw/zinc/91/84/78/500918478.db2.gz PRJPLHMDQGXKCY-CQSZACIVSA-N 1 3 374.356 3.376 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000449090672 500922492 /nfs/dbraw/zinc/92/24/92/500922492.db2.gz ODMZWSKZILFMCY-LZLYRXPVSA-N 1 3 350.503 3.071 20 0 FGADHO CC1(C)CCCN(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000445112036 500945353 /nfs/dbraw/zinc/94/53/53/500945353.db2.gz JOTWFLDYYBDNHD-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO C[C@H](C[NH2+]Cc1cccc(CN(C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449219779 500951312 /nfs/dbraw/zinc/95/13/12/500951312.db2.gz NZLVZIRVEVQUBG-MRXNPFEDSA-N 1 3 360.523 3.045 20 0 FGADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449305317 500971593 /nfs/dbraw/zinc/97/15/93/500971593.db2.gz RTLXRZVHMAQNAZ-AWEZNQCLSA-N 1 3 374.356 3.376 20 0 FGADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000440098117 500974787 /nfs/dbraw/zinc/97/47/87/500974787.db2.gz DSLAVULAKBRGSM-QFIPXVFZSA-N 1 3 369.553 3.422 20 0 FGADHO COc1cc2ccccc2cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000449326453 500978846 /nfs/dbraw/zinc/97/88/46/500978846.db2.gz VWRTUERDKRWGBD-SFHVURJKSA-N 1 3 367.537 3.449 20 0 FGADHO COc1cc2ccccc2cc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000449326453 500978849 /nfs/dbraw/zinc/97/88/49/500978849.db2.gz VWRTUERDKRWGBD-SFHVURJKSA-N 1 3 367.537 3.449 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449357156 500985422 /nfs/dbraw/zinc/98/54/22/500985422.db2.gz BUZDFLKFJDIEGD-WEYGHZABSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449357156 500985426 /nfs/dbraw/zinc/98/54/26/500985426.db2.gz BUZDFLKFJDIEGD-WEYGHZABSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449357156 500985429 /nfs/dbraw/zinc/98/54/29/500985429.db2.gz BUZDFLKFJDIEGD-WEYGHZABSA-N 1 3 356.485 3.229 20 0 FGADHO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339779 501094439 /nfs/dbraw/zinc/09/44/39/501094439.db2.gz BTGWUKYRMPARBL-JQVVWYNYSA-N 1 3 360.542 3.065 20 0 FGADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352991 501125874 /nfs/dbraw/zinc/12/58/74/501125874.db2.gz LGZDPFCDMRXLBI-VXKWHMMOSA-N 1 3 369.553 3.306 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453103877 501269425 /nfs/dbraw/zinc/26/94/25/501269425.db2.gz XONFSOFAEIRVSV-MBDNFAEBSA-N 1 3 360.542 3.053 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453103877 501269429 /nfs/dbraw/zinc/26/94/29/501269429.db2.gz XONFSOFAEIRVSV-MBDNFAEBSA-N 1 3 360.542 3.053 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106648 501270232 /nfs/dbraw/zinc/27/02/32/501270232.db2.gz ZAQXGFCXXYBKMB-MJGOQNOKSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106648 501270234 /nfs/dbraw/zinc/27/02/34/501270234.db2.gz ZAQXGFCXXYBKMB-MJGOQNOKSA-N 1 3 363.933 3.358 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000582481315 506245750 /nfs/dbraw/zinc/24/57/50/506245750.db2.gz QRLJQGMMHHRAGF-MRXNPFEDSA-N 1 3 354.922 3.241 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000457646137 501276166 /nfs/dbraw/zinc/27/61/66/501276166.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000457646137 501276170 /nfs/dbraw/zinc/27/61/70/501276170.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 1 3 360.546 3.151 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000453407022 501325526 /nfs/dbraw/zinc/32/55/26/501325526.db2.gz RRAJHRNSROWPJL-CEMLEFRQSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407022 501325529 /nfs/dbraw/zinc/32/55/29/501325529.db2.gz RRAJHRNSROWPJL-CEMLEFRQSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407022 501325531 /nfs/dbraw/zinc/32/55/31/501325531.db2.gz RRAJHRNSROWPJL-CEMLEFRQSA-N 1 3 350.510 3.218 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(C)cn2)CC1 ZINC000453608001 501360276 /nfs/dbraw/zinc/36/02/76/501360276.db2.gz YHXVEEGHEVJHAX-UHFFFAOYSA-N 1 3 352.526 3.254 20 0 FGADHO Cc1cc(NC(=O)c2ccccc2CN(C)C)ccc1OCC[NH+](C)C ZINC000458225396 501398146 /nfs/dbraw/zinc/39/81/46/501398146.db2.gz YKHVIIPGCJMRNU-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511112 501462668 /nfs/dbraw/zinc/46/26/68/501462668.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511112 501462670 /nfs/dbraw/zinc/46/26/70/501462670.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000458689417 501508571 /nfs/dbraw/zinc/50/85/71/501508571.db2.gz SSDAQFLKZRALHV-SESVDKBCSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689417 501508574 /nfs/dbraw/zinc/50/85/74/501508574.db2.gz SSDAQFLKZRALHV-SESVDKBCSA-N 1 3 372.557 3.021 20 0 FGADHO CN(C(=O)NCCCC[N@H+](C)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000459170927 501607934 /nfs/dbraw/zinc/60/79/34/501607934.db2.gz XQLPMSOLHNFSEN-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCCCC[N@@H+](C)C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000459170927 501607936 /nfs/dbraw/zinc/60/79/36/501607936.db2.gz XQLPMSOLHNFSEN-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459323521 501631041 /nfs/dbraw/zinc/63/10/41/501631041.db2.gz JOMKHANQELESRZ-UHFFFAOYSA-N 1 3 366.509 3.404 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459323521 501631043 /nfs/dbraw/zinc/63/10/43/501631043.db2.gz JOMKHANQELESRZ-UHFFFAOYSA-N 1 3 366.509 3.404 20 0 FGADHO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459375526 501641989 /nfs/dbraw/zinc/64/19/89/501641989.db2.gz NCOOIKFYTIWLMH-UHFFFAOYSA-N 1 3 365.456 3.473 20 0 FGADHO Fc1ccccc1N1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459446248 501655371 /nfs/dbraw/zinc/65/53/71/501655371.db2.gz DSRLOVOCGHTCMO-GOSISDBHSA-N 1 3 354.473 3.448 20 0 FGADHO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000454987772 501667147 /nfs/dbraw/zinc/66/71/47/501667147.db2.gz LDHNFDPLNRAZBB-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1n1cccn1 ZINC000459570856 501678508 /nfs/dbraw/zinc/67/85/08/501678508.db2.gz MWULFAQRDAKDMZ-XUVXKRRUSA-N 1 3 369.513 3.034 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000455115698 501690534 /nfs/dbraw/zinc/69/05/34/501690534.db2.gz MPQYPGQSTNKQGR-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457464571 501703740 /nfs/dbraw/zinc/70/37/40/501703740.db2.gz VXCMBWSDHOMTQW-VQTJNVASSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464571 501703741 /nfs/dbraw/zinc/70/37/41/501703741.db2.gz VXCMBWSDHOMTQW-VQTJNVASSA-N 1 3 360.546 3.194 20 0 FGADHO COc1cc(Br)c(CNCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731189 501705667 /nfs/dbraw/zinc/70/56/67/501705667.db2.gz KUMIKCCNBGBWHZ-CYBMUJFWSA-N 1 3 371.319 3.288 20 0 FGADHO COc1cc(Br)c(CNCC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731189 501705669 /nfs/dbraw/zinc/70/56/69/501705669.db2.gz KUMIKCCNBGBWHZ-CYBMUJFWSA-N 1 3 371.319 3.288 20 0 FGADHO COc1ccc([C@H](CO)CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000459765321 501711191 /nfs/dbraw/zinc/71/11/91/501711191.db2.gz XGMQOAVSZSOJDT-CUWPLCDZSA-N 1 3 360.542 3.404 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000457529641 501717117 /nfs/dbraw/zinc/71/71/17/501717117.db2.gz PUMTYOROGYSFEH-QFIPXVFZSA-N 1 3 372.557 3.156 20 0 FGADHO O=C(C[NH2+]C1(Cc2ccccc2)CCCCC1)NC1CCN(C2CC2)CC1 ZINC000467183226 501729524 /nfs/dbraw/zinc/72/95/24/501729524.db2.gz WQTSUVVWEYTURR-UHFFFAOYSA-N 1 3 369.553 3.265 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603051 501739575 /nfs/dbraw/zinc/73/95/75/501739575.db2.gz SAZSSKJTXLBWRD-IRXDYDNUSA-N 1 3 371.447 3.299 20 0 FGADHO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603051 501739579 /nfs/dbraw/zinc/73/95/79/501739579.db2.gz SAZSSKJTXLBWRD-IRXDYDNUSA-N 1 3 371.447 3.299 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000467306488 501766223 /nfs/dbraw/zinc/76/62/23/501766223.db2.gz BRFXTWPWNJYROO-HNNXBMFYSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470758152 501794436 /nfs/dbraw/zinc/79/44/36/501794436.db2.gz WDYVGTHCHNRCFX-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373376 501807697 /nfs/dbraw/zinc/80/76/97/501807697.db2.gz DUXVVOJYNNTIDW-FGZHOGPDSA-N 1 3 365.521 3.113 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)c2)n1 ZINC000477860059 501811738 /nfs/dbraw/zinc/81/17/38/501811738.db2.gz LYYFUCZJKPAHHX-CZUORRHYSA-N 1 3 359.495 3.027 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477860059 501811740 /nfs/dbraw/zinc/81/17/40/501811740.db2.gz LYYFUCZJKPAHHX-CZUORRHYSA-N 1 3 359.495 3.027 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477932990 501833326 /nfs/dbraw/zinc/83/33/26/501833326.db2.gz QXUZDNVOKWWCPX-MRXNPFEDSA-N 1 3 367.559 3.221 20 0 FGADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942239 501924476 /nfs/dbraw/zinc/92/44/76/501924476.db2.gz BZTPHCUMXJNNKE-CVEARBPZSA-N 1 3 352.544 3.394 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087210 501970947 /nfs/dbraw/zinc/97/09/47/501970947.db2.gz GYKGOAWKNQBMRX-CRAIPNDOSA-N 1 3 353.576 3.283 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087210 501970949 /nfs/dbraw/zinc/97/09/49/501970949.db2.gz GYKGOAWKNQBMRX-CRAIPNDOSA-N 1 3 353.576 3.283 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000482119747 501980906 /nfs/dbraw/zinc/98/09/06/501980906.db2.gz MPCNVUUUGRTXCO-INIZCTEOSA-N 1 3 360.452 3.223 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000471401792 502013441 /nfs/dbraw/zinc/01/34/41/502013441.db2.gz SNKXZQBSPFWUCU-UHFFFAOYSA-N 1 3 367.493 3.014 20 0 FGADHO C[NH+](C)CCOCCNCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000471537908 502059043 /nfs/dbraw/zinc/05/90/43/502059043.db2.gz NLCGECHNBIRDHH-UHFFFAOYSA-N 1 3 364.493 3.207 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475129611 502071356 /nfs/dbraw/zinc/07/13/56/502071356.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475129611 502071363 /nfs/dbraw/zinc/07/13/63/502071363.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475155552 502084056 /nfs/dbraw/zinc/08/40/56/502084056.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475155552 502084061 /nfs/dbraw/zinc/08/40/61/502084061.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccccc1I ZINC000482555769 502110034 /nfs/dbraw/zinc/11/00/34/502110034.db2.gz NVAFVJOSIVLYMC-LBPRGKRZSA-N 1 3 358.267 3.284 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000479208263 502192942 /nfs/dbraw/zinc/19/29/42/502192942.db2.gz UQVRXKFHBQSLMT-HXUWFJFHSA-N 1 3 357.473 3.025 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000479208263 502192943 /nfs/dbraw/zinc/19/29/43/502192943.db2.gz UQVRXKFHBQSLMT-HXUWFJFHSA-N 1 3 357.473 3.025 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580829 502197289 /nfs/dbraw/zinc/19/72/89/502197289.db2.gz PXCUOXZWFWTIFH-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580829 502197294 /nfs/dbraw/zinc/19/72/94/502197294.db2.gz PXCUOXZWFWTIFH-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2cc(Br)ccc21 ZINC000479357042 502233951 /nfs/dbraw/zinc/23/39/51/502233951.db2.gz JFHAXTWQOJZFAX-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2cc(Br)ccc21 ZINC000479357042 502233953 /nfs/dbraw/zinc/23/39/53/502233953.db2.gz JFHAXTWQOJZFAX-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO CC1(C)C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2cc(Br)ccc21 ZINC000479367310 502236157 /nfs/dbraw/zinc/23/61/57/502236157.db2.gz ZACRZFZRXPMYHZ-RHSMWYFYSA-N 1 3 367.331 3.218 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718623 502242750 /nfs/dbraw/zinc/24/27/50/502242750.db2.gz DPGMBVXIDBMNBM-FQEVSTJZSA-N 1 3 353.441 3.163 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718623 502242754 /nfs/dbraw/zinc/24/27/54/502242754.db2.gz DPGMBVXIDBMNBM-FQEVSTJZSA-N 1 3 353.441 3.163 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000479389369 502244099 /nfs/dbraw/zinc/24/40/99/502244099.db2.gz PDGNEVABEZTCAP-ZWKOTPCHSA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000479389369 502244102 /nfs/dbraw/zinc/24/41/02/502244102.db2.gz PDGNEVABEZTCAP-ZWKOTPCHSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000472143879 502246991 /nfs/dbraw/zinc/24/69/91/502246991.db2.gz IZZOOBUJCKMWKY-ROUUACIJSA-N 1 3 371.525 3.163 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465449897 502266395 /nfs/dbraw/zinc/26/63/95/502266395.db2.gz WBLCRVSRVGJYFT-FQEVSTJZSA-N 1 3 374.573 3.411 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557174 502307219 /nfs/dbraw/zinc/30/72/19/502307219.db2.gz DUYSENJQQISHJJ-NRFANRHFSA-N 1 3 372.557 3.202 20 0 FGADHO COC1CCN(C(C)(C)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000462108886 502309255 /nfs/dbraw/zinc/30/92/55/502309255.db2.gz CFNHWSQTFUUTDP-UHFFFAOYSA-N 1 3 373.585 3.173 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000462117326 502312552 /nfs/dbraw/zinc/31/25/52/502312552.db2.gz KXWXLWFVFXOPBT-OAHLLOKOSA-N 1 3 374.447 3.200 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000465575862 502312649 /nfs/dbraw/zinc/31/26/49/502312649.db2.gz QXRRYPNKXUZCFB-GHTZIAJQSA-N 1 3 372.557 3.200 20 0 FGADHO c1sc(-c2ccccc2)nc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479694108 502347413 /nfs/dbraw/zinc/34/74/13/502347413.db2.gz ZSGRCTZQONCPEG-UHFFFAOYSA-N 1 3 370.566 3.317 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000476029007 502362540 /nfs/dbraw/zinc/36/25/40/502362540.db2.gz DBENCXZGQRMDCF-INIZCTEOSA-N 1 3 355.592 3.021 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628926 502447739 /nfs/dbraw/zinc/44/77/39/502447739.db2.gz RYINXQQEIJFZGO-QKLQHJQFSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628926 502447741 /nfs/dbraw/zinc/44/77/41/502447741.db2.gz RYINXQQEIJFZGO-QKLQHJQFSA-N 1 3 352.494 3.320 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019041 502456156 /nfs/dbraw/zinc/45/61/56/502456156.db2.gz GONPCYCOVHWVDU-WOJBJXKFSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019041 502456162 /nfs/dbraw/zinc/45/61/62/502456162.db2.gz GONPCYCOVHWVDU-WOJBJXKFSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459873 /nfs/dbraw/zinc/45/98/73/502459873.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459877 /nfs/dbraw/zinc/45/98/77/502459877.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000487518987 502465588 /nfs/dbraw/zinc/46/55/88/502465588.db2.gz QLLRZXUUKNZOHV-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000487518987 502465593 /nfs/dbraw/zinc/46/55/93/502465593.db2.gz QLLRZXUUKNZOHV-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280327 502523484 /nfs/dbraw/zinc/52/34/84/502523484.db2.gz UBHVIOWLIBQQKB-WDSOQIARSA-N 1 3 353.576 3.077 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858954 502549493 /nfs/dbraw/zinc/54/94/93/502549493.db2.gz NDEYCPQZJVTESS-NSHGMRRFSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858954 502549497 /nfs/dbraw/zinc/54/94/97/502549497.db2.gz NDEYCPQZJVTESS-NSHGMRRFSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858950 502550153 /nfs/dbraw/zinc/55/01/53/502550153.db2.gz NDEYCPQZJVTESS-CMKODMSKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858950 502550157 /nfs/dbraw/zinc/55/01/57/502550157.db2.gz NDEYCPQZJVTESS-CMKODMSKSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000473290379 502559892 /nfs/dbraw/zinc/55/98/92/502559892.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000473290379 502559896 /nfs/dbraw/zinc/55/98/96/502559896.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812471 502583964 /nfs/dbraw/zinc/58/39/64/502583964.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000462812471 502583967 /nfs/dbraw/zinc/58/39/67/502583967.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501991 502613019 /nfs/dbraw/zinc/61/30/19/502613019.db2.gz BTNXQDOCTAWHFD-VIZSFHNOSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501991 502613025 /nfs/dbraw/zinc/61/30/25/502613025.db2.gz BTNXQDOCTAWHFD-VIZSFHNOSA-N 1 3 369.553 3.374 20 0 FGADHO CC(CN1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053143 502663339 /nfs/dbraw/zinc/66/33/39/502663339.db2.gz ZDCNRYFIRDQVPL-VXKWHMMOSA-N 1 3 364.574 3.408 20 0 FGADHO CC(CN1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053143 502663345 /nfs/dbraw/zinc/66/33/45/502663345.db2.gz ZDCNRYFIRDQVPL-VXKWHMMOSA-N 1 3 364.574 3.408 20 0 FGADHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676647 /nfs/dbraw/zinc/67/66/47/502676647.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 1 3 357.542 3.279 20 0 FGADHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676652 /nfs/dbraw/zinc/67/66/52/502676652.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 1 3 357.542 3.279 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216178 502709277 /nfs/dbraw/zinc/70/92/77/502709277.db2.gz CFGZJGYJOHDSJG-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420493 502710891 /nfs/dbraw/zinc/71/08/91/502710891.db2.gz WIJNITZAIGQTRB-VQTJNVASSA-N 1 3 361.599 3.444 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000484719709 502719563 /nfs/dbraw/zinc/71/95/63/502719563.db2.gz OVRKZYOSAZUZNH-QCFAMHMHSA-N 1 3 370.541 3.090 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466922234 502728009 /nfs/dbraw/zinc/72/80/09/502728009.db2.gz VTROXXRYGZDGEI-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000477320190 502741319 /nfs/dbraw/zinc/74/13/19/502741319.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000477320190 502741325 /nfs/dbraw/zinc/74/13/25/502741325.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269735 502741521 /nfs/dbraw/zinc/74/15/21/502741521.db2.gz CANNWFPIQWLHNY-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@@H]1C ZINC000463336135 502762184 /nfs/dbraw/zinc/76/21/84/502762184.db2.gz QAJYBNSRVAWARA-BBWFWOEESA-N 1 3 356.514 3.403 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775951 /nfs/dbraw/zinc/77/59/51/502775951.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 1 3 357.542 3.375 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775955 /nfs/dbraw/zinc/77/59/55/502775955.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 1 3 357.542 3.375 20 0 FGADHO CCCCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985376 502905677 /nfs/dbraw/zinc/90/56/77/502905677.db2.gz RUJJJXWAEVAZCQ-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985376 502905678 /nfs/dbraw/zinc/90/56/78/502905678.db2.gz RUJJJXWAEVAZCQ-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CCOC(=O)c1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501036843 502917786 /nfs/dbraw/zinc/91/77/86/502917786.db2.gz DXYWWVXHBFLWEO-UHFFFAOYSA-N 1 3 357.454 3.200 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568549 502937198 /nfs/dbraw/zinc/93/71/98/502937198.db2.gz MBHYJCNFFOQUQN-KSZLIROESA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568549 502937203 /nfs/dbraw/zinc/93/72/03/502937203.db2.gz MBHYJCNFFOQUQN-KSZLIROESA-N 1 3 364.534 3.225 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000501102677 502939409 /nfs/dbraw/zinc/93/94/09/502939409.db2.gz FBNCYYFHDKWTMZ-UHFFFAOYSA-N 1 3 361.549 3.496 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591698 502943800 /nfs/dbraw/zinc/94/38/00/502943800.db2.gz RABBCQQMMROROT-WNRNVDISSA-N 1 3 364.534 3.081 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591698 502943803 /nfs/dbraw/zinc/94/38/03/502943803.db2.gz RABBCQQMMROROT-WNRNVDISSA-N 1 3 364.534 3.081 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)Cc1ccccc1 ZINC000501195911 502957322 /nfs/dbraw/zinc/95/73/22/502957322.db2.gz DGTIGNFPCJFHKH-TZIWHRDSSA-N 1 3 374.573 3.113 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000489435622 502957786 /nfs/dbraw/zinc/95/77/86/502957786.db2.gz XDWAGBLONZVDTN-ACRUOGEOSA-N 1 3 372.557 3.304 20 0 FGADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000513696845 503002512 /nfs/dbraw/zinc/00/25/12/503002512.db2.gz FHMBURLOFSQZTO-BHDDXSALSA-N 1 3 352.526 3.472 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000509935566 503014645 /nfs/dbraw/zinc/01/46/45/503014645.db2.gz VRCQXNDZYPEDSZ-UHFFFAOYSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499207 503021350 /nfs/dbraw/zinc/02/13/50/503021350.db2.gz DPWKICAZDWOESR-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499207 503021352 /nfs/dbraw/zinc/02/13/52/503021352.db2.gz DPWKICAZDWOESR-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)OCCO ZINC000489795874 503037582 /nfs/dbraw/zinc/03/75/82/503037582.db2.gz KTWZETFQISVKTI-PWRODBHTSA-N 1 3 360.542 3.054 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835315 503050252 /nfs/dbraw/zinc/05/02/52/503050252.db2.gz GCJHNIWJWBSBBE-BQFCYCMXSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835315 503050257 /nfs/dbraw/zinc/05/02/57/503050257.db2.gz GCJHNIWJWBSBBE-BQFCYCMXSA-N 1 3 362.518 3.025 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000501737543 503069356 /nfs/dbraw/zinc/06/93/56/503069356.db2.gz XIIOKZWIWFNXGL-GOSISDBHSA-N 1 3 355.473 3.022 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000514093012 503085844 /nfs/dbraw/zinc/08/58/44/503085844.db2.gz DDBBBGGTGGDOMZ-OAQYLSRUSA-N 1 3 374.573 3.409 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000501840476 503091145 /nfs/dbraw/zinc/09/11/45/503091145.db2.gz DCQCSTUSBWTAPA-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344557 503095955 /nfs/dbraw/zinc/09/59/55/503095955.db2.gz COARARJJRFQMCC-UYAOXDASSA-N 1 3 370.541 3.092 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000498106048 503107242 /nfs/dbraw/zinc/10/72/42/503107242.db2.gz FEDYYRNGGRDAER-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000490171630 503122046 /nfs/dbraw/zinc/12/20/46/503122046.db2.gz GHZIECOLGFPUAH-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000490172700 503122312 /nfs/dbraw/zinc/12/23/12/503122312.db2.gz QCCZVTSGDRTULG-YLJYHZDGSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000490172700 503122319 /nfs/dbraw/zinc/12/23/19/503122319.db2.gz QCCZVTSGDRTULG-YLJYHZDGSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124319 /nfs/dbraw/zinc/12/43/19/503124319.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124324 /nfs/dbraw/zinc/12/43/24/503124324.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000498270603 503147953 /nfs/dbraw/zinc/14/79/53/503147953.db2.gz AQSOZFNSULSHOR-YYWHXJBOSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000498270603 503147956 /nfs/dbraw/zinc/14/79/56/503147956.db2.gz AQSOZFNSULSHOR-YYWHXJBOSA-N 1 3 372.557 3.242 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510735376 503182262 /nfs/dbraw/zinc/18/22/62/503182262.db2.gz OEHMAPHPMDFNRA-NHCUHLMSSA-N 1 3 355.526 3.181 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000502706711 503255204 /nfs/dbraw/zinc/25/52/04/503255204.db2.gz IJTZBBUPOXBXFU-SIKLNZKXSA-N 1 3 359.558 3.119 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000502706713 503255249 /nfs/dbraw/zinc/25/52/49/503255249.db2.gz IJTZBBUPOXBXFU-UGKGYDQZSA-N 1 3 359.558 3.119 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000491080683 503271010 /nfs/dbraw/zinc/27/10/10/503271010.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 1 3 374.573 3.068 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000491080683 503271012 /nfs/dbraw/zinc/27/10/12/503271012.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 1 3 374.573 3.068 20 0 FGADHO FC(F)(F)c1cccc(CCCCN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000491131318 503277078 /nfs/dbraw/zinc/27/70/78/503277078.db2.gz CRCNGMCZXXCURX-SFHVURJKSA-N 1 3 355.448 3.008 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294900 /nfs/dbraw/zinc/29/49/00/503294900.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294903 /nfs/dbraw/zinc/29/49/03/503294903.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507462426 503302600 /nfs/dbraw/zinc/30/26/00/503302600.db2.gz OYJDEHWXBGCMGD-LAVFITLUSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507462426 503302603 /nfs/dbraw/zinc/30/26/03/503302603.db2.gz OYJDEHWXBGCMGD-LAVFITLUSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507462426 503302606 /nfs/dbraw/zinc/30/26/06/503302606.db2.gz OYJDEHWXBGCMGD-LAVFITLUSA-N 1 3 356.432 3.454 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000503081116 503342269 /nfs/dbraw/zinc/34/22/69/503342269.db2.gz HIQRJCJXFVUYCT-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1CCN2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000499196641 503353446 /nfs/dbraw/zinc/35/34/46/503353446.db2.gz WETRQPVCWHONTE-QUCCMNQESA-N 1 3 372.557 3.242 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCN(CC2CCC2)CC1 ZINC000508012694 503412954 /nfs/dbraw/zinc/41/29/54/503412954.db2.gz LHYXNYDTTNCVJA-UHFFFAOYSA-N 1 3 355.526 3.230 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1 ZINC000508044149 503418303 /nfs/dbraw/zinc/41/83/03/503418303.db2.gz YZOKRNDGVFGGIC-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000503485127 503419093 /nfs/dbraw/zinc/41/90/93/503419093.db2.gz GCMMYFFZEIIIKJ-CMKODMSKSA-N 1 3 373.541 3.078 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000503485127 503419098 /nfs/dbraw/zinc/41/90/98/503419098.db2.gz GCMMYFFZEIIIKJ-CMKODMSKSA-N 1 3 373.541 3.078 20 0 FGADHO CC[C@@H]1C[C@H](C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575872 503440029 /nfs/dbraw/zinc/44/00/29/503440029.db2.gz LAOUONKRKHHKGO-DHIUTWEWSA-N 1 3 373.585 3.379 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000516129571 503452593 /nfs/dbraw/zinc/45/25/93/503452593.db2.gz OXNUQRIUQDJMJC-IBGZPJMESA-N 1 3 356.510 3.432 20 0 FGADHO C[C@@H]1CCCC[C@@H]1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000512092536 503455830 /nfs/dbraw/zinc/45/58/30/503455830.db2.gz VTVKGUZRPXWTBY-QZTJIDSGSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000493940655 503462591 /nfs/dbraw/zinc/46/25/91/503462591.db2.gz JOWNEJGUQMQDTD-NSHGMRRFSA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000493940655 503462593 /nfs/dbraw/zinc/46/25/93/503462593.db2.gz JOWNEJGUQMQDTD-NSHGMRRFSA-N 1 3 360.546 3.097 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990776 503471355 /nfs/dbraw/zinc/47/13/55/503471355.db2.gz DCOLTAFITWCBHW-FQEVSTJZSA-N 1 3 359.514 3.364 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000508894021 503592413 /nfs/dbraw/zinc/59/24/13/503592413.db2.gz JYNITIOQJZIKCQ-ICSRJNTNSA-N 1 3 362.562 3.438 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627104 503597804 /nfs/dbraw/zinc/59/78/04/503597804.db2.gz ZYZGYGBMCSTVBA-PCCBWWKXSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627104 503597809 /nfs/dbraw/zinc/59/78/09/503597809.db2.gz ZYZGYGBMCSTVBA-PCCBWWKXSA-N 1 3 350.510 3.384 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627104 503597813 /nfs/dbraw/zinc/59/78/13/503597813.db2.gz ZYZGYGBMCSTVBA-PCCBWWKXSA-N 1 3 350.510 3.384 20 0 FGADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000500439235 503625731 /nfs/dbraw/zinc/62/57/31/503625731.db2.gz INCPOYCEVYVKHW-NRFANRHFSA-N 1 3 354.494 3.114 20 0 FGADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000500439235 503625734 /nfs/dbraw/zinc/62/57/34/503625734.db2.gz INCPOYCEVYVKHW-NRFANRHFSA-N 1 3 354.494 3.114 20 0 FGADHO Cc1ccccc1[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078938 503661334 /nfs/dbraw/zinc/66/13/34/503661334.db2.gz LNCFSKOLRLFWFX-FPOVZHCZSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccccc1[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078938 503661340 /nfs/dbraw/zinc/66/13/40/503661340.db2.gz LNCFSKOLRLFWFX-FPOVZHCZSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccccc1[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078940 503661732 /nfs/dbraw/zinc/66/17/32/503661732.db2.gz LNCFSKOLRLFWFX-TZIWHRDSSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccccc1[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078940 503661737 /nfs/dbraw/zinc/66/17/37/503661737.db2.gz LNCFSKOLRLFWFX-TZIWHRDSSA-N 1 3 357.542 3.403 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000529717435 503676631 /nfs/dbraw/zinc/67/66/31/503676631.db2.gz GNCQHDWOBIUZNI-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000529717435 503676636 /nfs/dbraw/zinc/67/66/36/503676636.db2.gz GNCQHDWOBIUZNI-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1)CC(C)C ZINC000540272005 503727539 /nfs/dbraw/zinc/72/75/39/503727539.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1)CC(C)C ZINC000540272005 503727543 /nfs/dbraw/zinc/72/75/43/503727543.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 1 3 366.594 3.259 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000517393508 503735075 /nfs/dbraw/zinc/73/50/75/503735075.db2.gz REDIHXCPWZVCCU-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO CCn1nccc1CNCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000540325101 503737546 /nfs/dbraw/zinc/73/75/46/503737546.db2.gz WNMFUXKPOIIWKM-OALUTQOASA-N 1 3 370.541 3.202 20 0 FGADHO Cc1cc([C@@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404672 503756660 /nfs/dbraw/zinc/75/66/60/503756660.db2.gz PYYUUAJWSZDWNA-RBBKRZOGSA-N 1 3 371.500 3.445 20 0 FGADHO Cc1cc([C@@H](NCCCC[N@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404672 503756663 /nfs/dbraw/zinc/75/66/63/503756663.db2.gz PYYUUAJWSZDWNA-RBBKRZOGSA-N 1 3 371.500 3.445 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405470 503757163 /nfs/dbraw/zinc/75/71/63/503757163.db2.gz XINKYULUWROKSN-JYWFKMLOSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@H](CC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)N1CCCCC1 ZINC000543417893 503762370 /nfs/dbraw/zinc/76/23/70/503762370.db2.gz HHFBIZGFYBHTNI-RZUBCFFCSA-N 1 3 359.558 3.303 20 0 FGADHO COC[C@@H](C)C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000527366335 503779269 /nfs/dbraw/zinc/77/92/69/503779269.db2.gz BSEGDCCXSFOMOR-FQEVSTJZSA-N 1 3 367.537 3.381 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889397 503859690 /nfs/dbraw/zinc/85/96/90/503859690.db2.gz KZGQTCIRZWIBKI-TYPHKJRUSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccc(F)cc1 ZINC000517922485 503867800 /nfs/dbraw/zinc/86/78/00/503867800.db2.gz KIMKLZICLMDXGY-FQEVSTJZSA-N 1 3 360.473 3.195 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccc(F)cc1 ZINC000517922485 503867806 /nfs/dbraw/zinc/86/78/06/503867806.db2.gz KIMKLZICLMDXGY-FQEVSTJZSA-N 1 3 360.473 3.195 20 0 FGADHO C[C@]1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212947 503879114 /nfs/dbraw/zinc/87/91/14/503879114.db2.gz SCHCBTDVUFXJTE-HSQYWUDLSA-N 1 3 366.461 3.062 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792934 503946294 /nfs/dbraw/zinc/94/62/94/503946294.db2.gz YRSSMMZKEFLRDP-FQEVSTJZSA-N 1 3 362.562 3.100 20 0 FGADHO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527941408 504008260 /nfs/dbraw/zinc/00/82/60/504008260.db2.gz YVQOBGHOLOQULL-CGTJXYLNSA-N 1 3 366.431 3.487 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CC=CCC1 ZINC000544112240 504011996 /nfs/dbraw/zinc/01/19/96/504011996.db2.gz WOHDSTGSUOOMJV-FQEVSTJZSA-N 1 3 355.526 3.187 20 0 FGADHO COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cn1 ZINC000527991436 504029537 /nfs/dbraw/zinc/02/95/37/504029537.db2.gz VPJIFAULTGSIDA-QHAWAJNXSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000519026179 504121611 /nfs/dbraw/zinc/12/16/11/504121611.db2.gz FZKCUALMEMTLQZ-GCJKJVERSA-N 1 3 350.510 3.432 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000530913278 504128967 /nfs/dbraw/zinc/12/89/67/504128967.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 1 3 365.521 3.099 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000530913278 504128972 /nfs/dbraw/zinc/12/89/72/504128972.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 1 3 365.521 3.099 20 0 FGADHO C[C@H](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCCCC1 ZINC000541448706 504133503 /nfs/dbraw/zinc/13/35/03/504133503.db2.gz UBRMSOJYSPUZME-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO CC(CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439493 504135598 /nfs/dbraw/zinc/13/55/98/504135598.db2.gz ZJQADBUISRYAGV-VNTMZGSJSA-N 1 3 368.606 3.080 20 0 FGADHO CC(CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439493 504135601 /nfs/dbraw/zinc/13/56/01/504135601.db2.gz ZJQADBUISRYAGV-VNTMZGSJSA-N 1 3 368.606 3.080 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528287203 504149177 /nfs/dbraw/zinc/14/91/77/504149177.db2.gz IJTIQBZSPFYWLZ-HXUWFJFHSA-N 1 3 364.578 3.061 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000541509907 504155361 /nfs/dbraw/zinc/15/53/61/504155361.db2.gz QLFUSQIZPZQTQD-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000519179323 504159373 /nfs/dbraw/zinc/15/93/73/504159373.db2.gz HOCCEUCCOJTQMZ-RTWAWAEBSA-N 1 3 372.557 3.195 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118830 504195953 /nfs/dbraw/zinc/19/59/53/504195953.db2.gz COHCLOYXGMNYRF-DLBZAZTESA-N 1 3 372.340 3.049 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000534721165 504223793 /nfs/dbraw/zinc/22/37/93/504223793.db2.gz KRGBQOZHLIZBFS-LEWJYISDSA-N 1 3 372.557 3.195 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922997 504303362 /nfs/dbraw/zinc/30/33/62/504303362.db2.gz WOPMHLSBLXGFPR-SJLPKXTDSA-N 1 3 355.482 3.192 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922997 504303366 /nfs/dbraw/zinc/30/33/66/504303366.db2.gz WOPMHLSBLXGFPR-SJLPKXTDSA-N 1 3 355.482 3.192 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000542018186 504337254 /nfs/dbraw/zinc/33/72/54/504337254.db2.gz ZNUUYWOGNWNEHE-UHFFFAOYSA-N 1 3 370.541 3.337 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342510 /nfs/dbraw/zinc/34/25/10/504342510.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 1 3 358.486 3.262 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342514 /nfs/dbraw/zinc/34/25/14/504342514.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 1 3 358.486 3.262 20 0 FGADHO COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548483522 504461232 /nfs/dbraw/zinc/46/12/32/504461232.db2.gz CDDVQYRHYLNWGH-CTNGQTDRSA-N 1 3 373.585 3.376 20 0 FGADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)N(C)C ZINC000539254723 504513540 /nfs/dbraw/zinc/51/35/40/504513540.db2.gz RDFTYSSYFYPQJQ-IEBWSBKVSA-N 1 3 361.530 3.069 20 0 FGADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000535780884 504542266 /nfs/dbraw/zinc/54/22/66/504542266.db2.gz GZTMEWQQGHBADE-UHFFFAOYSA-N 1 3 368.481 3.113 20 0 FGADHO C[C@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730142 504544394 /nfs/dbraw/zinc/54/43/94/504544394.db2.gz NGFVXKUYIDUCRT-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000532212894 504574251 /nfs/dbraw/zinc/57/42/51/504574251.db2.gz LQUMOOFOHKGGDZ-UNMCSNQZSA-N 1 3 372.484 3.164 20 0 FGADHO CCCOc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000542689314 504576181 /nfs/dbraw/zinc/57/61/81/504576181.db2.gz XOLDCSAQNCUACA-UHFFFAOYSA-N 1 3 359.558 3.325 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc2c1CCNC2 ZINC000520765395 504577196 /nfs/dbraw/zinc/57/71/96/504577196.db2.gz SLRKECHCUOXMSL-UHFFFAOYSA-N 1 3 364.493 3.250 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532239208 504582980 /nfs/dbraw/zinc/58/29/80/504582980.db2.gz VAFNNACIMMVNKC-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CC[C@H](C)C1 ZINC000532239208 504582983 /nfs/dbraw/zinc/58/29/83/504582983.db2.gz VAFNNACIMMVNKC-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C12CCC2 ZINC000539500232 504591885 /nfs/dbraw/zinc/59/18/85/504591885.db2.gz VIRXHMHIQJEIFW-VXKWHMMOSA-N 1 3 371.569 3.261 20 0 FGADHO CN(CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)c1ccncc1 ZINC000542784976 504609595 /nfs/dbraw/zinc/60/95/95/504609595.db2.gz JRHQLYVHDDTKRL-UHFFFAOYSA-N 1 3 367.497 3.053 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000521045276 504636487 /nfs/dbraw/zinc/63/64/87/504636487.db2.gz MFSRSOXEAYFZKP-HXUWFJFHSA-N 1 3 357.542 3.135 20 0 FGADHO CSc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645376 504638199 /nfs/dbraw/zinc/63/81/99/504638199.db2.gz LANRGMBKDQLZED-PBHICJAKSA-N 1 3 369.550 3.291 20 0 FGADHO COc1ccc2oc([C@@H](C)[NH2+]CCCCN3CCN(C)CC3)c(C)c2c1 ZINC000532449862 504655536 /nfs/dbraw/zinc/65/55/36/504655536.db2.gz SBWWRYXSVKKNPC-QGZVFWFLSA-N 1 3 359.514 3.428 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000542948827 504669756 /nfs/dbraw/zinc/66/97/56/504669756.db2.gz BUWNSMLGOHBDFK-INIZCTEOSA-N 1 3 369.431 3.273 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521766 504680816 /nfs/dbraw/zinc/68/08/16/504680816.db2.gz MMHWKWGIEKEXSS-ZWNOBZJWSA-N 1 3 350.816 3.096 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521766 504680809 /nfs/dbraw/zinc/68/08/09/504680809.db2.gz MMHWKWGIEKEXSS-ZWNOBZJWSA-N 1 3 350.816 3.096 20 0 FGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1c(F)cccc1Cl ZINC000532531362 504684751 /nfs/dbraw/zinc/68/47/51/504684751.db2.gz SAEAYKDJOSESNA-OAHLLOKOSA-N 1 3 354.897 3.094 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589543 504704707 /nfs/dbraw/zinc/70/47/07/504704707.db2.gz LFVMGXRBVVYADB-PKOBYXMFSA-N 1 3 356.514 3.304 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589543 504704712 /nfs/dbraw/zinc/70/47/12/504704712.db2.gz LFVMGXRBVVYADB-PKOBYXMFSA-N 1 3 356.514 3.304 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CC[C@H](C)C1 ZINC000543066532 504710384 /nfs/dbraw/zinc/71/03/84/504710384.db2.gz HOEAJYQQXABCBZ-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CC[C@H](C)C1 ZINC000543066532 504710387 /nfs/dbraw/zinc/71/03/87/504710387.db2.gz HOEAJYQQXABCBZ-UONOGXRCSA-N 1 3 357.420 3.354 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)CC1 ZINC000552906832 504786241 /nfs/dbraw/zinc/78/62/41/504786241.db2.gz BZQAMGUHRQOFLY-UHFFFAOYSA-N 1 3 369.553 3.031 20 0 FGADHO O=C(CN[C@@H](c1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552921508 504787958 /nfs/dbraw/zinc/78/79/58/504787958.db2.gz RORIQMPTFVJYFK-QFIPXVFZSA-N 1 3 355.526 3.251 20 0 FGADHO CC(C)(C)C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000552947371 504791935 /nfs/dbraw/zinc/79/19/35/504791935.db2.gz QJVDGFDGJUPYBL-FQEVSTJZSA-N 1 3 357.542 3.497 20 0 FGADHO CCn1nccc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000549348763 504797723 /nfs/dbraw/zinc/79/77/23/504797723.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 1 3 352.526 3.432 20 0 FGADHO CCn1nccc1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000549348763 504797727 /nfs/dbraw/zinc/79/77/27/504797727.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 1 3 352.526 3.432 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3cccs3)CC2)CC1 ZINC000553005565 504803057 /nfs/dbraw/zinc/80/30/57/504803057.db2.gz SRLLSCOYGAKOTR-INIZCTEOSA-N 1 3 363.571 3.464 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234069 504824952 /nfs/dbraw/zinc/82/49/52/504824952.db2.gz ULBDCTFLYCSEFW-QAPCUYQASA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234069 504824957 /nfs/dbraw/zinc/82/49/57/504824957.db2.gz ULBDCTFLYCSEFW-QAPCUYQASA-N 1 3 373.463 3.370 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509512 504907695 /nfs/dbraw/zinc/90/76/95/504907695.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 1 3 358.574 3.039 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509512 504907700 /nfs/dbraw/zinc/90/77/00/504907700.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 1 3 358.574 3.039 20 0 FGADHO Cn1cccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549879863 504924152 /nfs/dbraw/zinc/92/41/52/504924152.db2.gz NPEYVHGNVDCFGI-FQEVSTJZSA-N 1 3 353.510 3.044 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c2ccccc21 ZINC000559767428 504924788 /nfs/dbraw/zinc/92/47/88/504924788.db2.gz WVFIGBVEOBAPFX-SFHVURJKSA-N 1 3 373.516 3.020 20 0 FGADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000562878774 504973657 /nfs/dbraw/zinc/97/36/57/504973657.db2.gz ZZUBUVQAHTUPPP-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000562878774 504973659 /nfs/dbraw/zinc/97/36/59/504973659.db2.gz ZZUBUVQAHTUPPP-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC1CC2 ZINC000560094545 504990710 /nfs/dbraw/zinc/99/07/10/504990710.db2.gz QEHAIDHMZZKFLU-GOSISDBHSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC1CC2 ZINC000560094545 504990714 /nfs/dbraw/zinc/99/07/14/504990714.db2.gz QEHAIDHMZZKFLU-GOSISDBHSA-N 1 3 370.541 3.051 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1)C1CC1 ZINC000553774987 505006405 /nfs/dbraw/zinc/00/64/05/505006405.db2.gz PKQHTZXQCKLECW-UTKZUKDTSA-N 1 3 355.526 3.370 20 0 FGADHO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000563122787 505053871 /nfs/dbraw/zinc/05/38/71/505053871.db2.gz DMJGFNHOZQTMLZ-IYWMVGAKSA-N 1 3 355.526 3.171 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nccc4sccc43)CC2)CC1 ZINC000566018497 505056996 /nfs/dbraw/zinc/05/69/96/505056996.db2.gz GGUOCZUQXDWJNO-UHFFFAOYSA-N 1 3 372.538 3.431 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccnc4ccccc34)CC2)CC1 ZINC000566077566 505074087 /nfs/dbraw/zinc/07/40/87/505074087.db2.gz AWBZOBAVYAQQBX-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccnc4ccccc34)CC2)CC1 ZINC000566077566 505074092 /nfs/dbraw/zinc/07/40/92/505074092.db2.gz AWBZOBAVYAQQBX-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO COc1ccc(C2CCC(NCc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)cc1 ZINC000566103289 505081405 /nfs/dbraw/zinc/08/14/05/505081405.db2.gz DXCBDOJWOQVNOM-UHFFFAOYSA-N 1 3 369.513 3.096 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000557193772 505090385 /nfs/dbraw/zinc/09/03/85/505090385.db2.gz SBUVTNMZLLUVHX-SFHVURJKSA-N 1 3 372.557 3.291 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524571 505114626 /nfs/dbraw/zinc/11/46/26/505114626.db2.gz GKBMMFPHZUOJRU-NSHGMRRFSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524571 505114631 /nfs/dbraw/zinc/11/46/31/505114631.db2.gz GKBMMFPHZUOJRU-NSHGMRRFSA-N 1 3 371.529 3.055 20 0 FGADHO C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000560556401 505125209 /nfs/dbraw/zinc/12/52/09/505125209.db2.gz BNBFIIOKPCBXMM-QLXKLKPCSA-N 1 3 374.550 3.356 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000557436009 505134697 /nfs/dbraw/zinc/13/46/97/505134697.db2.gz WFAXRUZWVOFKPQ-JOCHJYFZSA-N 1 3 365.521 3.358 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000563466784 505148204 /nfs/dbraw/zinc/14/82/04/505148204.db2.gz IDHSFKBKEBIOPD-QZTJIDSGSA-N 1 3 374.529 3.142 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000557615657 505182734 /nfs/dbraw/zinc/18/27/34/505182734.db2.gz WJUSPGQNIVYEQN-LMNJBCLMSA-N 1 3 361.574 3.362 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239174 505183988 /nfs/dbraw/zinc/18/39/88/505183988.db2.gz NEIOBFXEIMLTNF-RDJZCZTQSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239174 505183989 /nfs/dbraw/zinc/18/39/89/505183989.db2.gz NEIOBFXEIMLTNF-RDJZCZTQSA-N 1 3 373.463 3.370 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265379 505188574 /nfs/dbraw/zinc/18/85/74/505188574.db2.gz UZLQTEWMQABNCL-SFTDATJTSA-N 1 3 358.526 3.074 20 0 FGADHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270529 505190130 /nfs/dbraw/zinc/19/01/30/505190130.db2.gz OEXOOIRIDKMJIW-UEXGIBASSA-N 1 3 355.530 3.324 20 0 FGADHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270529 505190132 /nfs/dbraw/zinc/19/01/32/505190132.db2.gz OEXOOIRIDKMJIW-UEXGIBASSA-N 1 3 355.530 3.324 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607653 505191272 /nfs/dbraw/zinc/19/12/72/505191272.db2.gz CABFWGIYCKSAIT-OALUTQOASA-N 1 3 374.916 3.448 20 0 FGADHO CC(C)[C@]1(CO)CCCN(CC[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243026 /nfs/dbraw/zinc/24/30/26/505243026.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN(CC[C@@H](C)[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243030 /nfs/dbraw/zinc/24/30/30/505243030.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@@H+](CC[C@@H](C)N2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243035 /nfs/dbraw/zinc/24/30/35/505243035.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@H+](CC[C@@H](C)N2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243040 /nfs/dbraw/zinc/24/30/40/505243040.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 1 3 368.606 3.226 20 0 FGADHO C[C@](CO)(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804498 505243868 /nfs/dbraw/zinc/24/38/68/505243868.db2.gz PTLZNJUYPMGLQY-WWNPGLIZSA-N 1 3 366.505 3.073 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000561156872 505267142 /nfs/dbraw/zinc/26/71/42/505267142.db2.gz WPAGUZMDFXNEAF-QYZOEREBSA-N 1 3 357.542 3.123 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276619 /nfs/dbraw/zinc/27/66/19/505276619.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276624 /nfs/dbraw/zinc/27/66/24/505276624.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 1 3 364.489 3.412 20 0 FGADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021117 505287641 /nfs/dbraw/zinc/28/76/41/505287641.db2.gz CZZWEMWNVARLGG-XGHQBKJUSA-N 1 3 364.493 3.049 20 0 FGADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021117 505287644 /nfs/dbraw/zinc/28/76/44/505287644.db2.gz CZZWEMWNVARLGG-XGHQBKJUSA-N 1 3 364.493 3.049 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558116811 505311718 /nfs/dbraw/zinc/31/17/18/505311718.db2.gz LFWAUPPLEWCTNK-XAUMDUMWSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116811 505311721 /nfs/dbraw/zinc/31/17/21/505311721.db2.gz LFWAUPPLEWCTNK-XAUMDUMWSA-N 1 3 350.934 3.486 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000558116811 505311725 /nfs/dbraw/zinc/31/17/25/505311725.db2.gz LFWAUPPLEWCTNK-XAUMDUMWSA-N 1 3 350.934 3.486 20 0 FGADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccccc2C1 ZINC000558146759 505319739 /nfs/dbraw/zinc/31/97/39/505319739.db2.gz NMAHZZYLXGDHMY-GBAJDQEWSA-N 1 3 369.553 3.106 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CNCCCC[NH+]1CCC(C)CC1 ZINC000566986122 505331496 /nfs/dbraw/zinc/33/14/96/505331496.db2.gz OEQHXFSFBPIKFS-UHFFFAOYSA-N 1 3 355.530 3.486 20 0 FGADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000555210155 505380516 /nfs/dbraw/zinc/38/05/16/505380516.db2.gz YUXKETZRRPPINN-VQTJNVASSA-N 1 3 372.557 3.023 20 0 FGADHO OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000567159531 505381131 /nfs/dbraw/zinc/38/11/31/505381131.db2.gz URSJRDDTLNFOIQ-FQXVJMBOSA-N 1 3 374.422 3.344 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176110 505385622 /nfs/dbraw/zinc/38/56/22/505385622.db2.gz IJMWOUVKIHILFY-VVWQDTPRSA-N 1 3 363.933 3.022 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388233 /nfs/dbraw/zinc/38/82/33/505388233.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 1 3 356.558 3.109 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388239 /nfs/dbraw/zinc/38/82/39/505388239.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 1 3 356.558 3.109 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451200 /nfs/dbraw/zinc/45/12/00/505451200.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451202 /nfs/dbraw/zinc/45/12/02/505451202.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 1 3 357.542 3.420 20 0 FGADHO Cc1ccncc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612021 505474796 /nfs/dbraw/zinc/47/47/96/505474796.db2.gz GSPDCEUUPFODGT-QFIPXVFZSA-N 1 3 365.521 3.408 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000561953251 505477113 /nfs/dbraw/zinc/47/71/13/505477113.db2.gz NHJNDDCAMNWKJA-YOUFYPILSA-N 1 3 357.542 3.276 20 0 FGADHO CNC(=O)C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000561962160 505478742 /nfs/dbraw/zinc/47/87/42/505478742.db2.gz RVNTTZSRZFIWQB-BWAGFHJFSA-N 1 3 365.521 3.364 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433577 505491515 /nfs/dbraw/zinc/49/15/15/505491515.db2.gz QJESKYWTOZATKH-NRFANRHFSA-N 1 3 373.541 3.039 20 0 FGADHO CC(C)[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443884 505493663 /nfs/dbraw/zinc/49/36/63/505493663.db2.gz FIDAGTGFDDQQOE-QFIPXVFZSA-N 1 3 359.558 3.464 20 0 FGADHO CC(C)[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CCCO1 ZINC000552443884 505493666 /nfs/dbraw/zinc/49/36/66/505493666.db2.gz FIDAGTGFDDQQOE-QFIPXVFZSA-N 1 3 359.558 3.464 20 0 FGADHO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CCCO1 ZINC000552443884 505493672 /nfs/dbraw/zinc/49/36/72/505493672.db2.gz FIDAGTGFDDQQOE-QFIPXVFZSA-N 1 3 359.558 3.464 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562068298 505508810 /nfs/dbraw/zinc/50/88/10/505508810.db2.gz RCTOVLTVTJSHQL-AWEZNQCLSA-N 1 3 373.372 3.175 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000564764609 505512970 /nfs/dbraw/zinc/51/29/70/505512970.db2.gz PXNUADLYIXFGPH-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000564764609 505512974 /nfs/dbraw/zinc/51/29/74/505512974.db2.gz PXNUADLYIXFGPH-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123051 506449181 /nfs/dbraw/zinc/44/91/81/506449181.db2.gz BQPBAJITISUOJH-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H](c1ccccc1Br)N(C)CCCN(C)CC[NH+](C)C ZINC000582868948 506463061 /nfs/dbraw/zinc/46/30/61/506463061.db2.gz OIIIYQKNDBIIOU-HNNXBMFYSA-N 1 3 356.352 3.325 20 0 FGADHO COC(=O)c1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000597047935 506749492 /nfs/dbraw/zinc/74/94/92/506749492.db2.gz SEZOCGIZQLUKHC-HOTGVXAUSA-N 1 3 350.478 3.460 20 0 FGADHO O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)CN1CCCC1 ZINC000590611550 506881528 /nfs/dbraw/zinc/88/15/28/506881528.db2.gz OXWLHIMFWPWKRJ-NRFANRHFSA-N 1 3 363.505 3.236 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831744 506998937 /nfs/dbraw/zinc/99/89/37/506998937.db2.gz CFMRAVQMOUYEJY-KNQAVFIVSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831744 506998941 /nfs/dbraw/zinc/99/89/41/506998941.db2.gz CFMRAVQMOUYEJY-KNQAVFIVSA-N 1 3 365.521 3.368 20 0 FGADHO C[C@H](c1cccc2ccccc21)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000590937803 507046535 /nfs/dbraw/zinc/04/65/35/507046535.db2.gz AANHOQRHBLHNFS-QGZVFWFLSA-N 1 3 353.510 3.291 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000600831857 507141191 /nfs/dbraw/zinc/14/11/91/507141191.db2.gz HCPDBMFDGDUYHB-WOJBJXKFSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000600839454 507143611 /nfs/dbraw/zinc/14/36/11/507143611.db2.gz NRMKGGNUGVCIQW-IBGZPJMESA-N 1 3 374.573 3.461 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000600839454 507143614 /nfs/dbraw/zinc/14/36/14/507143614.db2.gz NRMKGGNUGVCIQW-IBGZPJMESA-N 1 3 374.573 3.461 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1 ZINC000605398734 507173040 /nfs/dbraw/zinc/17/30/40/507173040.db2.gz VMHIDSJJDGVBQR-NRFANRHFSA-N 1 3 360.461 3.280 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591423168 507245413 /nfs/dbraw/zinc/24/54/13/507245413.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591423168 507245423 /nfs/dbraw/zinc/24/54/23/507245423.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 1 3 373.541 3.154 20 0 FGADHO C[NH+](C)CCOc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000594788276 507280113 /nfs/dbraw/zinc/28/01/13/507280113.db2.gz MMLPLWZKVDSOLH-UHFFFAOYSA-N 1 3 355.482 3.134 20 0 FGADHO COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000591656130 507323573 /nfs/dbraw/zinc/32/35/73/507323573.db2.gz KTELFVMBLCATCA-YCHQTSKFSA-N 1 3 356.510 3.218 20 0 FGADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595064706 507375247 /nfs/dbraw/zinc/37/52/47/507375247.db2.gz AQIHLCNHBFLRKT-KRWDZBQOSA-N 1 3 361.530 3.251 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000607231428 507661978 /nfs/dbraw/zinc/66/19/78/507661978.db2.gz RXGLVBMWJRBLCR-WOJBJXKFSA-N 1 3 372.557 3.167 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101518 507762888 /nfs/dbraw/zinc/76/28/88/507762888.db2.gz CEOQEZPIINDEGO-FPOVZHCZSA-N 1 3 373.516 3.125 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101519 507763031 /nfs/dbraw/zinc/76/30/31/507763031.db2.gz CEOQEZPIINDEGO-PZJWPPBQSA-N 1 3 373.516 3.125 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000623071137 568234253 /nfs/dbraw/zinc/23/42/53/568234253.db2.gz AFOUWXNZWXFPFZ-UHFFFAOYSA-N 1 3 356.514 3.023 20 0 FGADHO Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826374681 607750951 /nfs/dbraw/zinc/75/09/51/607750951.db2.gz JDIXKNYRLLOGFU-UHFFFAOYSA-N 1 3 372.492 3.094 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000105459224 700500992 /nfs/dbraw/zinc/50/09/92/700500992.db2.gz HTSDIALHJVIPIV-UHFFFAOYSA-N 1 3 364.896 3.464 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000195191781 713548498 /nfs/dbraw/zinc/54/84/98/713548498.db2.gz RDTLTKWDVXLPHR-HXUWFJFHSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000237607789 713594470 /nfs/dbraw/zinc/59/44/70/713594470.db2.gz XCSBSNKOSFVVDX-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665516 713655959 /nfs/dbraw/zinc/65/59/59/713655959.db2.gz MFQBKHOAIGVYSE-FXAWDEMLSA-N 1 3 353.551 3.344 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893760 713661061 /nfs/dbraw/zinc/66/10/61/713661061.db2.gz TZTRQEDUBGROHT-WMLDXEAASA-N 1 3 369.893 3.475 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414927964 714005831 /nfs/dbraw/zinc/00/58/31/714005831.db2.gz PQPOXGWTENHRRY-KYOSRNDESA-N 1 3 354.292 3.026 20 0 FGADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000642615650 717983777 /nfs/dbraw/zinc/98/37/77/717983777.db2.gz RXHCLZMNYSYSTC-KRWDZBQOSA-N 1 3 366.575 3.162 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347616 715315791 /nfs/dbraw/zinc/31/57/91/715315791.db2.gz GAWPEOLFFCIQBC-LPHOPBHVSA-N 1 3 365.949 3.176 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414996 715331304 /nfs/dbraw/zinc/33/13/04/715331304.db2.gz WVPZCSFFYPKYOB-GJZGRUSLSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414996 715331311 /nfs/dbraw/zinc/33/13/11/715331311.db2.gz WVPZCSFFYPKYOB-GJZGRUSLSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422995 715332998 /nfs/dbraw/zinc/33/29/98/715332998.db2.gz PFTBWVQDOKVHBP-HUUCEWRRSA-N 1 3 353.457 3.329 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422995 715333000 /nfs/dbraw/zinc/33/30/00/715333000.db2.gz PFTBWVQDOKVHBP-HUUCEWRRSA-N 1 3 353.457 3.329 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1OC ZINC000624121251 715477789 /nfs/dbraw/zinc/47/77/89/715477789.db2.gz RFQQIFRFBBKHSC-DLBZAZTESA-N 1 3 350.503 3.103 20 0 FGADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000629521017 716302516 /nfs/dbraw/zinc/30/25/16/716302516.db2.gz KRNCIHXJRDVXQW-HNNXBMFYSA-N 1 3 361.486 3.424 20 0 FGADHO COc1ncc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000638335495 717436060 /nfs/dbraw/zinc/43/60/60/717436060.db2.gz NJPMZIAMRHLXEW-GASCZTMLSA-N 1 3 361.511 3.051 20 0 FGADHO [NH3+]Cc1cccc2c1N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC000638543088 717456940 /nfs/dbraw/zinc/45/69/40/717456940.db2.gz PQOYHTIJWRAXNA-HUUCEWRRSA-N 1 3 356.388 3.172 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639041515 717507492 /nfs/dbraw/zinc/50/74/92/717507492.db2.gz LXZOPYGAOLXJQE-DZGCQCFKSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639041515 717507503 /nfs/dbraw/zinc/50/75/03/717507503.db2.gz LXZOPYGAOLXJQE-DZGCQCFKSA-N 1 3 368.319 3.158 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976585 718391354 /nfs/dbraw/zinc/39/13/54/718391354.db2.gz QKBZMBZDXCCNJF-YESZJQIVSA-N 1 3 361.555 3.447 20 0 FGADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000648714239 718445904 /nfs/dbraw/zinc/44/59/04/718445904.db2.gz QIJXQUHEXJFVNJ-HXUWFJFHSA-N 1 3 362.901 3.446 20 0 FGADHO FC1(F)CC12CCN(CCOCC[NH+]1CCC3(CC3(F)F)CC1)CC2 ZINC000649774070 718564527 /nfs/dbraw/zinc/56/45/27/718564527.db2.gz QVXOUPPEDXCEHI-UHFFFAOYSA-N 1 3 364.427 3.245 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707718 718717751 /nfs/dbraw/zinc/71/77/51/718717751.db2.gz LTKMHAQGUFNNOF-JZXOWHBKSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349451 718935338 /nfs/dbraw/zinc/93/53/38/718935338.db2.gz OYGLSVIDZIOCFS-SIIHOXLZSA-N 1 3 356.869 3.076 20 0 FGADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655688708 719326100 /nfs/dbraw/zinc/32/61/00/719326100.db2.gz BNDXBZCGZMNMMR-VQTJNVASSA-N 1 3 365.587 3.364 20 0 FGADHO Clc1ccc(O[C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257480 720405207 /nfs/dbraw/zinc/40/52/07/720405207.db2.gz CZWRCBZHBYTPDY-GJZGRUSLSA-N 1 3 371.308 3.358 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC000662284222 720409843 /nfs/dbraw/zinc/40/98/43/720409843.db2.gz MDIMAQNVPYWDJV-HYVNUMGLSA-N 1 3 356.482 3.418 20 0 FGADHO CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294681 720411583 /nfs/dbraw/zinc/41/15/83/720411583.db2.gz DRPKMKUVKDMYJL-WBVHZDCISA-N 1 3 361.555 3.447 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccsc1 ZINC000662384796 720423845 /nfs/dbraw/zinc/42/38/45/720423845.db2.gz XAMQQTBKESNEFK-MOPGFXCFSA-N 1 3 357.523 3.482 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000663620732 720530788 /nfs/dbraw/zinc/53/07/88/720530788.db2.gz RLNKEVLYQLYHQL-ZWKOTPCHSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000663620732 720530790 /nfs/dbraw/zinc/53/07/90/720530790.db2.gz RLNKEVLYQLYHQL-ZWKOTPCHSA-N 1 3 366.575 3.257 20 0 FGADHO CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664825581 720695652 /nfs/dbraw/zinc/69/56/52/720695652.db2.gz RTDDSDPSRMQZAT-JKSUJKDBSA-N 1 3 366.575 3.041 20 0 FGADHO CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664825581 720695659 /nfs/dbraw/zinc/69/56/59/720695659.db2.gz RTDDSDPSRMQZAT-JKSUJKDBSA-N 1 3 366.575 3.041 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000666770349 720976054 /nfs/dbraw/zinc/97/60/54/720976054.db2.gz VVZSUFLZRQELRP-KRWDZBQOSA-N 1 3 366.347 3.145 20 0 FGADHO Brc1ccccc1CN1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770349 720976056 /nfs/dbraw/zinc/97/60/56/720976056.db2.gz VVZSUFLZRQELRP-KRWDZBQOSA-N 1 3 366.347 3.145 20 0 FGADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000670172717 721522204 /nfs/dbraw/zinc/52/22/04/721522204.db2.gz OLZCIQCVZIZAKE-IBGZPJMESA-N 1 3 359.901 3.434 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293977 722412952 /nfs/dbraw/zinc/41/29/52/722412952.db2.gz XDKQWEBRQQFONT-PNKHAZJDSA-N 1 3 351.535 3.094 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274776 723629572 /nfs/dbraw/zinc/62/95/72/723629572.db2.gz AECARAWQMGHBPP-ADKAHSJRSA-N 1 3 353.551 3.391 20 0 FGADHO COCOc1ccc(OC)cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000768926223 723672339 /nfs/dbraw/zinc/67/23/39/723672339.db2.gz KAQNGEHHQLUFSF-UHFFFAOYSA-N 1 3 350.503 3.230 20 0 FGADHO COCOc1ccc(OC)cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000768926223 723672340 /nfs/dbraw/zinc/67/23/40/723672340.db2.gz KAQNGEHHQLUFSF-UHFFFAOYSA-N 1 3 350.503 3.230 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621016 724011751 /nfs/dbraw/zinc/01/17/51/724011751.db2.gz GXHMXTGEHRMGDC-XWTMOSNGSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621016 724011755 /nfs/dbraw/zinc/01/17/55/724011755.db2.gz GXHMXTGEHRMGDC-XWTMOSNGSA-N 1 3 353.551 3.390 20 0 FGADHO C[C@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)N1CCCCC1 ZINC000788740758 725084772 /nfs/dbraw/zinc/08/47/72/725084772.db2.gz QRCOLXVVAYWHLX-MRXNPFEDSA-N 1 3 351.535 3.240 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749751 725264911 /nfs/dbraw/zinc/26/49/11/725264911.db2.gz JWZVPWOGPDXTTL-FQEVSTJZSA-N 1 3 353.551 3.441 20 0 FGADHO CC(C)C[C@H](C[N@@H+]1CCCC12CCN(C)CC2)NC(=O)OC(C)(C)C ZINC000811494584 725369483 /nfs/dbraw/zinc/36/94/83/725369483.db2.gz YAODGOJIPFXZLB-QGZVFWFLSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)C[C@H](C[N@H+]1CCCC12CCN(C)CC2)NC(=O)OC(C)(C)C ZINC000811494584 725369485 /nfs/dbraw/zinc/36/94/85/725369485.db2.gz YAODGOJIPFXZLB-QGZVFWFLSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)C[C@H](CN1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494584 725369488 /nfs/dbraw/zinc/36/94/88/725369488.db2.gz YAODGOJIPFXZLB-QGZVFWFLSA-N 1 3 353.551 3.486 20 0 FGADHO C[NH+](C)CC[C@@H](NC[C@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083242 727345972 /nfs/dbraw/zinc/34/59/72/727345972.db2.gz YJVBTXKJASAUOH-JKSUJKDBSA-N 1 3 357.336 3.439 20 0 FGADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519398 729809610 /nfs/dbraw/zinc/80/96/10/729809610.db2.gz TYUUJJZTJSMEFF-MAUKXSAKSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534304 731369994 /nfs/dbraw/zinc/36/99/94/731369994.db2.gz LJASAKXJZBJTKH-OWYHZJEWSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534304 731369995 /nfs/dbraw/zinc/36/99/95/731369995.db2.gz LJASAKXJZBJTKH-OWYHZJEWSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000854150740 731798824 /nfs/dbraw/zinc/79/88/24/731798824.db2.gz WKVCDRHMZQNSQZ-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000854150740 731798827 /nfs/dbraw/zinc/79/88/27/731798827.db2.gz WKVCDRHMZQNSQZ-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404627 733192795 /nfs/dbraw/zinc/19/27/95/733192795.db2.gz OKTOGRVZHRIRFU-AWEZNQCLSA-N 1 3 367.456 3.296 20 0 FGADHO CSc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873247717 735743816 /nfs/dbraw/zinc/74/38/16/735743816.db2.gz SKIYSJPRAJIEEH-CQSZACIVSA-N 1 3 353.495 3.299 20 0 FGADHO CC1(N2CCC2)CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880475293 737178977 /nfs/dbraw/zinc/17/89/77/737178977.db2.gz UZKCHFTWQSLDQG-KRWDZBQOSA-N 1 3 356.432 3.169 20 0 FGADHO O[C@@H]1[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626485 739277385 /nfs/dbraw/zinc/27/73/85/739277385.db2.gz CQCXRLYSFDHKHG-VPAKFMSCSA-N 1 3 350.453 3.178 20 0 FGADHO O[C@@H]1[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626485 739277388 /nfs/dbraw/zinc/27/73/88/739277388.db2.gz CQCXRLYSFDHKHG-VPAKFMSCSA-N 1 3 350.453 3.178 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCCC1(F)F ZINC000886626485 739277389 /nfs/dbraw/zinc/27/73/89/739277389.db2.gz CQCXRLYSFDHKHG-VPAKFMSCSA-N 1 3 350.453 3.178 20 0 FGADHO C[C@@H]1CN(Cc2cc3c(cccc3O)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894076962 742235386 /nfs/dbraw/zinc/23/53/86/742235386.db2.gz REYFHSSWWLMLOM-QAPCUYQASA-N 1 3 359.539 3.065 20 0 FGADHO C[C@H]1CN(Cc2cc3c(cccc3O)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894076961 742235488 /nfs/dbraw/zinc/23/54/88/742235488.db2.gz REYFHSSWWLMLOM-MAUKXSAKSA-N 1 3 359.539 3.065 20 0 FGADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000924993654 759428381 /nfs/dbraw/zinc/42/83/81/759428381.db2.gz QNPPXAOIHHAGJN-CRAIPNDOSA-N 1 3 363.933 3.199 20 0 FGADHO CC[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925799464 759543517 /nfs/dbraw/zinc/54/35/17/759543517.db2.gz YVVPBIAYPZDJRC-WBVHZDCISA-N 1 3 354.441 3.487 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cc(Br)c2ccccc2c1 ZINC000925807484 759547032 /nfs/dbraw/zinc/54/70/32/759547032.db2.gz VGYSPYCNVPLRSA-ULFGMLNVSA-N 1 3 363.299 3.444 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2cc(Cl)ccc2o1 ZINC000925857564 759561451 /nfs/dbraw/zinc/56/14/51/759561451.db2.gz PNRZWJBFUWWLGX-WFASDCNBSA-N 1 3 362.857 3.422 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000172984098 206283297 /nfs/dbraw/zinc/28/32/97/206283297.db2.gz SGPZJOQDOKMCDO-UHFFFAOYSA-N 1 3 359.558 3.165 20 0 FGADHO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713301 503909221 /nfs/dbraw/zinc/90/92/21/503909221.db2.gz RKFYRQUOSQKDBM-QFIPXVFZSA-N 1 3 365.521 3.408 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609095 505577329 /nfs/dbraw/zinc/57/73/29/505577329.db2.gz SUUKTLNJTRQMFY-CSODHUTKSA-N 1 3 357.542 3.136 20 0 FGADHO CC[C@H](CNC(=O)c1ccccc1CC[NH2+]C)N1CCc2ccccc2C1 ZINC000567972653 505587206 /nfs/dbraw/zinc/58/72/06/505587206.db2.gz DNCIJYDJAGZIHT-OAQYLSRUSA-N 1 3 365.521 3.015 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839868 505592483 /nfs/dbraw/zinc/59/24/83/505592483.db2.gz PEQUILKREUUNQL-IEBWSBKVSA-N 1 3 372.538 3.089 20 0 FGADHO Cc1nsc(C)c1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000579669324 505598120 /nfs/dbraw/zinc/59/81/20/505598120.db2.gz ZAWUKSYNSVSPTC-GJZGRUSLSA-N 1 3 351.560 3.471 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cn1C ZINC000579723858 505609940 /nfs/dbraw/zinc/60/99/40/505609940.db2.gz BKVIZQZKQQGDLG-UHFFFAOYSA-N 1 3 369.509 3.478 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200867 505642415 /nfs/dbraw/zinc/64/24/15/505642415.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200867 505642419 /nfs/dbraw/zinc/64/24/19/505642419.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568232977 505649282 /nfs/dbraw/zinc/64/92/82/505649282.db2.gz YPENEVSGUYBEOG-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885787 493790565 /nfs/dbraw/zinc/79/05/65/493790565.db2.gz BXVTXVHBINLGTJ-OAQYLSRUSA-N 1 3 359.558 3.239 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000068887214 493889689 /nfs/dbraw/zinc/88/96/89/493889689.db2.gz DWHLGEFNOYTJSZ-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000068931865 493896918 /nfs/dbraw/zinc/89/69/18/493896918.db2.gz JSBKAMLNHMVMBZ-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CC[C@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532698 493974880 /nfs/dbraw/zinc/97/48/80/493974880.db2.gz YKXUTJTZLRIHMT-IBGZPJMESA-N 1 3 357.542 3.198 20 0 FGADHO CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532697 493975154 /nfs/dbraw/zinc/97/51/54/493975154.db2.gz YKXUTJTZLRIHMT-LJQANCHMSA-N 1 3 357.542 3.198 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402814 /nfs/dbraw/zinc/40/28/14/506402814.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 1 3 368.562 3.056 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402820 /nfs/dbraw/zinc/40/28/20/506402820.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 1 3 368.562 3.056 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009200 /nfs/dbraw/zinc/00/92/00/494009200.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009203 /nfs/dbraw/zinc/00/92/03/494009203.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000062641063 494019494 /nfs/dbraw/zinc/01/94/94/494019494.db2.gz UHPHYASKVUFRCQ-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000063699161 494077556 /nfs/dbraw/zinc/07/75/56/494077556.db2.gz WLIDYVKFBAUIKG-LJQANCHMSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387475 494118459 /nfs/dbraw/zinc/11/84/59/494118459.db2.gz STEPAXXIZWRKPP-HOTGVXAUSA-N 1 3 366.575 3.161 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000072504357 494187120 /nfs/dbraw/zinc/18/71/20/494187120.db2.gz DNMJADRBDOPPPI-MSOLQXFVSA-N 1 3 374.529 3.108 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000065445233 494198465 /nfs/dbraw/zinc/19/84/65/494198465.db2.gz HNTCJOFLYYSDIJ-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000065468483 494200306 /nfs/dbraw/zinc/20/03/06/494200306.db2.gz SFKMXDUCFWCVRC-NRFANRHFSA-N 1 3 374.573 3.360 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000065468483 494200310 /nfs/dbraw/zinc/20/03/10/494200310.db2.gz SFKMXDUCFWCVRC-NRFANRHFSA-N 1 3 374.573 3.360 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000065479597 494202409 /nfs/dbraw/zinc/20/24/09/494202409.db2.gz HUKQGJLROPCPDJ-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1C ZINC000072599802 494213629 /nfs/dbraw/zinc/21/36/29/494213629.db2.gz VZSZJDNJVLNUDO-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1C ZINC000072599802 494213632 /nfs/dbraw/zinc/21/36/32/494213632.db2.gz VZSZJDNJVLNUDO-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718912 494264581 /nfs/dbraw/zinc/26/45/81/494264581.db2.gz VJXQHLGFUMWHPI-AEFFLSMTSA-N 1 3 372.557 3.430 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073024736 494307763 /nfs/dbraw/zinc/30/77/63/494307763.db2.gz DALCQZBUJNXWMF-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000043885323 494328814 /nfs/dbraw/zinc/32/88/14/494328814.db2.gz CJKBXWTWEVMOTH-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO CCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000066594168 494362496 /nfs/dbraw/zinc/36/24/96/494362496.db2.gz BXJLYCQEFJPPAG-SFHVURJKSA-N 1 3 371.550 3.298 20 0 FGADHO CCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000066594168 494362497 /nfs/dbraw/zinc/36/24/97/494362497.db2.gz BXJLYCQEFJPPAG-SFHVURJKSA-N 1 3 371.550 3.298 20 0 FGADHO C[NH+](C)CCC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000056525043 494520804 /nfs/dbraw/zinc/52/08/04/494520804.db2.gz VTOCRYLGFDZFDW-UHFFFAOYSA-N 1 3 355.320 3.492 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067409138 494533999 /nfs/dbraw/zinc/53/39/99/494533999.db2.gz ALSUTSUMDGYXDH-OALUTQOASA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067409138 494534002 /nfs/dbraw/zinc/53/40/02/494534002.db2.gz ALSUTSUMDGYXDH-OALUTQOASA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000067570989 494570288 /nfs/dbraw/zinc/57/02/88/494570288.db2.gz LSZQNCSSZPOQGU-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080072073 494585146 /nfs/dbraw/zinc/58/51/46/494585146.db2.gz HDSLNCVXMCLCNU-QWFCFKBJSA-N 1 3 360.546 3.069 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166693 494622521 /nfs/dbraw/zinc/62/25/21/494622521.db2.gz UCMAJBYDBPSIPQ-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C ZINC000092426877 494625565 /nfs/dbraw/zinc/62/55/65/494625565.db2.gz RUEPSOQOUMKDBW-UHFFFAOYSA-N 1 3 359.558 3.219 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000131692812 494701531 /nfs/dbraw/zinc/70/15/31/494701531.db2.gz PQVLONWXRRMEPZ-YADHBBJMSA-N 1 3 365.521 3.404 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745516 494735950 /nfs/dbraw/zinc/73/59/50/494735950.db2.gz FIDUBZWILOCBTP-GOSISDBHSA-N 1 3 369.509 3.422 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745516 494735959 /nfs/dbraw/zinc/73/59/59/494735959.db2.gz FIDUBZWILOCBTP-GOSISDBHSA-N 1 3 369.509 3.422 20 0 FGADHO C[N@@H+](CCC(=O)NC1CCCC1)CCC1CCN(c2ccncc2)CC1 ZINC000092821260 494764916 /nfs/dbraw/zinc/76/49/16/494764916.db2.gz QSZQUQDVVFQMKU-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO C[N@H+](CCC(=O)NC1CCCC1)CCC1CCN(c2ccncc2)CC1 ZINC000092821260 494764922 /nfs/dbraw/zinc/76/49/22/494764922.db2.gz QSZQUQDVVFQMKU-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914760 494888517 /nfs/dbraw/zinc/88/85/17/494888517.db2.gz IRGVKYJLCKMMGY-DYESRHJHSA-N 1 3 357.542 3.005 20 0 FGADHO Cc1cc(C)n(CCC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)n1 ZINC000132744170 494917708 /nfs/dbraw/zinc/91/77/08/494917708.db2.gz DZVQHUORKKNFNB-UHFFFAOYSA-N 1 3 369.557 3.210 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211367 494985362 /nfs/dbraw/zinc/98/53/62/494985362.db2.gz XMIOCSKEPPSTSV-RHSMWYFYSA-N 1 3 359.436 3.424 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000122555938 494994250 /nfs/dbraw/zinc/99/42/50/494994250.db2.gz ROPXEZXKOZCSRZ-LJQANCHMSA-N 1 3 365.949 3.478 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007126 495029765 /nfs/dbraw/zinc/02/97/65/495029765.db2.gz VTKXFVXVDORZFW-JSGCOSHPSA-N 1 3 358.313 3.231 20 0 FGADHO CN(C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111518850 495084690 /nfs/dbraw/zinc/08/46/90/495084690.db2.gz XQOQRPITRNXSAZ-FQEVSTJZSA-N 1 3 360.546 3.245 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000134101387 495106048 /nfs/dbraw/zinc/10/60/48/495106048.db2.gz LJEPSQGAGFUQEI-SWUCNREESA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134101387 495106050 /nfs/dbraw/zinc/10/60/50/495106050.db2.gz LJEPSQGAGFUQEI-SWUCNREESA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000134101387 495106054 /nfs/dbraw/zinc/10/60/54/495106054.db2.gz LJEPSQGAGFUQEI-SWUCNREESA-N 1 3 371.569 3.303 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836455 495156834 /nfs/dbraw/zinc/15/68/34/495156834.db2.gz WUDBQVMMYLFVRZ-IBGZPJMESA-N 1 3 373.541 3.352 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836455 495156837 /nfs/dbraw/zinc/15/68/37/495156837.db2.gz WUDBQVMMYLFVRZ-IBGZPJMESA-N 1 3 373.541 3.352 20 0 FGADHO Cc1sc([C@H](C)NCCN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000568749292 505769684 /nfs/dbraw/zinc/76/96/84/505769684.db2.gz PYECXVJGLMTUSW-ZDUSSCGKSA-N 1 3 364.946 3.328 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305557 495217164 /nfs/dbraw/zinc/21/71/64/495217164.db2.gz SLNRUFSMMGIODS-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119813828 495247401 /nfs/dbraw/zinc/24/74/01/495247401.db2.gz DDWCLPDJHWZAQG-FQEVSTJZSA-N 1 3 365.949 3.176 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000568799725 505779478 /nfs/dbraw/zinc/77/94/78/505779478.db2.gz DJWFTEHBGCNBDY-QGZVFWFLSA-N 1 3 367.484 3.280 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000568799725 505779480 /nfs/dbraw/zinc/77/94/80/505779480.db2.gz DJWFTEHBGCNBDY-QGZVFWFLSA-N 1 3 367.484 3.280 20 0 FGADHO CN(CCCN(C)C(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccco1 ZINC000574473050 505780518 /nfs/dbraw/zinc/78/05/18/505780518.db2.gz BLQVJKXTNWKTOG-UHFFFAOYSA-N 1 3 372.513 3.005 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000125409353 495440018 /nfs/dbraw/zinc/44/00/18/495440018.db2.gz RFTMEXBLIQFFGY-RLHVNXBHSA-N 1 3 372.557 3.069 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883589 495477204 /nfs/dbraw/zinc/47/72/04/495477204.db2.gz KKLCJAXTGOPPSD-UTKZUKDTSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883589 495477207 /nfs/dbraw/zinc/47/72/07/495477207.db2.gz KKLCJAXTGOPPSD-UTKZUKDTSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@H](C)C1 ZINC000120883589 495477211 /nfs/dbraw/zinc/47/72/11/495477211.db2.gz KKLCJAXTGOPPSD-UTKZUKDTSA-N 1 3 365.537 3.114 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292884 495518161 /nfs/dbraw/zinc/51/81/61/495518161.db2.gz CLUOVXUXRHWVSX-HUUCEWRRSA-N 1 3 358.523 3.390 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154234505 495552367 /nfs/dbraw/zinc/55/23/67/495552367.db2.gz WOKICYZSLVBZIK-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000577770136 505789346 /nfs/dbraw/zinc/78/93/46/505789346.db2.gz JDZAMOIZINXBIA-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000574516958 505790542 /nfs/dbraw/zinc/79/05/42/505790542.db2.gz LHUYMTVZFFPWRX-RBBKRZOGSA-N 1 3 372.557 3.372 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775860 505790852 /nfs/dbraw/zinc/79/08/52/505790852.db2.gz XNTBBHNBSCYUPP-LEWJYISDSA-N 1 3 357.542 3.057 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000173782706 495692062 /nfs/dbraw/zinc/69/20/62/495692062.db2.gz OPOMJUHBLQAZGK-YLJYHZDGSA-N 1 3 360.546 3.153 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000171056921 495705517 /nfs/dbraw/zinc/70/55/17/495705517.db2.gz GNFPLPWANKVZOG-SFTDATJTSA-N 1 3 370.541 3.012 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000150999543 495706458 /nfs/dbraw/zinc/70/64/58/495706458.db2.gz RIQKTGKSLQOBEA-QGZVFWFLSA-N 1 3 363.521 3.447 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000182830807 495719477 /nfs/dbraw/zinc/71/94/77/495719477.db2.gz RVAGUIAKTYSWOH-BZSNNMDCSA-N 1 3 372.557 3.417 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129111 495747657 /nfs/dbraw/zinc/74/76/57/495747657.db2.gz JMIVZGVGFVTKHF-MRXNPFEDSA-N 1 3 363.933 3.266 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000577847182 505804022 /nfs/dbraw/zinc/80/40/22/505804022.db2.gz ZSZDVIOSQMDUFZ-HBFSDRIKSA-N 1 3 363.933 3.139 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000171274270 495800495 /nfs/dbraw/zinc/80/04/95/495800495.db2.gz ZZNZRWVUJLGNJP-QRVBRYPASA-N 1 3 357.542 3.276 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000171296434 495809231 /nfs/dbraw/zinc/80/92/31/495809231.db2.gz GEASZTGWMQRLPY-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000174114865 495825972 /nfs/dbraw/zinc/82/59/72/495825972.db2.gz XXOTYLQDMWSMAQ-NRFANRHFSA-N 1 3 372.557 3.165 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139501 495850513 /nfs/dbraw/zinc/85/05/13/495850513.db2.gz JBKLOUHWICZRSH-RJGXRXQPSA-N 1 3 369.553 3.135 20 0 FGADHO Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000186209762 495896620 /nfs/dbraw/zinc/89/66/20/495896620.db2.gz SVUNAVWJOYVKGB-QGZVFWFLSA-N 1 3 374.529 3.088 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452519 496002493 /nfs/dbraw/zinc/00/24/93/496002493.db2.gz YKMQEXVHOBMONQ-QFIPXVFZSA-N 1 3 352.526 3.034 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177359624 496030123 /nfs/dbraw/zinc/03/01/23/496030123.db2.gz WVQJUZCKZSPCIK-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000177490763 496083178 /nfs/dbraw/zinc/08/31/78/496083178.db2.gz OYWUUPYWJOUEDG-HUUCEWRRSA-N 1 3 351.560 3.471 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3=CCCCCC3)CC2)CC1 ZINC000183928294 496165028 /nfs/dbraw/zinc/16/50/28/496165028.db2.gz DIBKONSQRYZQJT-UHFFFAOYSA-N 1 3 362.562 3.125 20 0 FGADHO CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174949587 496178415 /nfs/dbraw/zinc/17/84/15/496178415.db2.gz VEPJYGVCUFUWES-OAQYLSRUSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174949587 496178420 /nfs/dbraw/zinc/17/84/20/496178420.db2.gz VEPJYGVCUFUWES-OAQYLSRUSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000156212057 496188114 /nfs/dbraw/zinc/18/81/14/496188114.db2.gz SYJYNTMBAWLZRW-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000180985571 496229909 /nfs/dbraw/zinc/22/99/09/496229909.db2.gz ZCUDCVUGTBEUBW-JOCHJYFZSA-N 1 3 364.489 3.209 20 0 FGADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000180985571 496229915 /nfs/dbraw/zinc/22/99/15/496229915.db2.gz ZCUDCVUGTBEUBW-JOCHJYFZSA-N 1 3 364.489 3.209 20 0 FGADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000180993977 496233657 /nfs/dbraw/zinc/23/36/57/496233657.db2.gz OMFCCWJRSUXREP-NRFANRHFSA-N 1 3 366.505 3.257 20 0 FGADHO CC1(C)Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000180993977 496233667 /nfs/dbraw/zinc/23/36/67/496233667.db2.gz OMFCCWJRSUXREP-NRFANRHFSA-N 1 3 366.505 3.257 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011223 496250776 /nfs/dbraw/zinc/25/07/76/496250776.db2.gz YKQHWLJTOXRCIN-YLJYHZDGSA-N 1 3 372.509 3.328 20 0 FGADHO C[C@@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000571878036 505835854 /nfs/dbraw/zinc/83/58/54/505835854.db2.gz QOIDTOMJOQJZCR-FQEVSTJZSA-N 1 3 371.569 3.179 20 0 FGADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374467 496362360 /nfs/dbraw/zinc/36/23/60/496362360.db2.gz QDZDBYYKBYQCGA-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374467 496362363 /nfs/dbraw/zinc/36/23/63/496362363.db2.gz QDZDBYYKBYQCGA-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414233 /nfs/dbraw/zinc/41/42/33/496414233.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 1 3 360.542 3.140 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414238 /nfs/dbraw/zinc/41/42/38/496414238.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 1 3 360.542 3.140 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000162872892 496426811 /nfs/dbraw/zinc/42/68/11/496426811.db2.gz OLRWETGAKULMEI-BBWFWOEESA-N 1 3 350.503 3.244 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000187465260 496453673 /nfs/dbraw/zinc/45/36/73/496453673.db2.gz SHCDQSXGDAOGNW-OAQYLSRUSA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000172929640 496493250 /nfs/dbraw/zinc/49/32/50/496493250.db2.gz MKFIAZYBPOGLBM-OAQYLSRUSA-N 1 3 357.542 3.101 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000163599792 496536245 /nfs/dbraw/zinc/53/62/45/496536245.db2.gz XSUTUABUCMEJLE-NHCUHLMSSA-N 1 3 353.510 3.448 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912706 496583248 /nfs/dbraw/zinc/58/32/48/496583248.db2.gz TYJXLLRORKNTAO-IRXDYDNUSA-N 1 3 352.544 3.253 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912706 496583254 /nfs/dbraw/zinc/58/32/54/496583254.db2.gz TYJXLLRORKNTAO-IRXDYDNUSA-N 1 3 352.544 3.253 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@@H](C)O1 ZINC000178894984 496607412 /nfs/dbraw/zinc/60/74/12/496607412.db2.gz LNRKGHJMHOYUDZ-HUUCEWRRSA-N 1 3 364.921 3.206 20 0 FGADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000175959568 496618613 /nfs/dbraw/zinc/61/86/13/496618613.db2.gz OMFLPAWWRKUZNY-CYBMUJFWSA-N 1 3 369.962 3.180 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000164603313 496622362 /nfs/dbraw/zinc/62/23/62/496622362.db2.gz AQCBGBICVKFFNM-AVRDEDQJSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000164603313 496622365 /nfs/dbraw/zinc/62/23/65/496622365.db2.gz AQCBGBICVKFFNM-AVRDEDQJSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(Br)c1 ZINC000173313259 496639161 /nfs/dbraw/zinc/63/91/61/496639161.db2.gz OVXGNTHTKLATGP-CQSZACIVSA-N 1 3 354.336 3.126 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004200 496643865 /nfs/dbraw/zinc/64/38/65/496643865.db2.gz SRKUPEWZJCQQKZ-GQIGUUNPSA-N 1 3 355.482 3.028 20 0 FGADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080449 496674863 /nfs/dbraw/zinc/67/48/63/496674863.db2.gz MVPFFMJOPXBEHF-RXVVDRJESA-N 1 3 359.514 3.144 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162298 496678100 /nfs/dbraw/zinc/67/81/00/496678100.db2.gz WNSHKCDMMBVIEV-IAGOWNOFSA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162298 496678102 /nfs/dbraw/zinc/67/81/02/496678102.db2.gz WNSHKCDMMBVIEV-IAGOWNOFSA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000166162298 496678105 /nfs/dbraw/zinc/67/81/05/496678105.db2.gz WNSHKCDMMBVIEV-IAGOWNOFSA-N 1 3 368.447 3.286 20 0 FGADHO N[C@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166413875 496686322 /nfs/dbraw/zinc/68/63/22/496686322.db2.gz IZOBVWUKYZEEAA-JOCHJYFZSA-N 1 3 365.521 3.249 20 0 FGADHO C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000168767349 496711601 /nfs/dbraw/zinc/71/16/01/496711601.db2.gz KYJBYWRDVHWOAC-OXJNMPFZSA-N 1 3 355.482 3.292 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357638 496736947 /nfs/dbraw/zinc/73/69/47/496736947.db2.gz YAJOTFGOHSRSRH-FCHUYYIVSA-N 1 3 358.526 3.333 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000191384635 496744636 /nfs/dbraw/zinc/74/46/36/496744636.db2.gz XLNVGNSBBZYPCQ-UHFFFAOYSA-N 1 3 355.473 3.136 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000191384635 496744641 /nfs/dbraw/zinc/74/46/41/496744641.db2.gz XLNVGNSBBZYPCQ-UHFFFAOYSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864477 /nfs/dbraw/zinc/86/44/77/505864477.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864482 /nfs/dbraw/zinc/86/44/82/505864482.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000277420392 496767745 /nfs/dbraw/zinc/76/77/45/496767745.db2.gz ANQAQQOMTWSZFU-SFHVURJKSA-N 1 3 366.509 3.075 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784696 496785630 /nfs/dbraw/zinc/78/56/30/496785630.db2.gz JVQQPICEOCVKNY-SFHVURJKSA-N 1 3 365.521 3.315 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000247132206 496788203 /nfs/dbraw/zinc/78/82/03/496788203.db2.gz VOHQKRUNAVKFIL-KURKYZTESA-N 1 3 364.530 3.114 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000273405754 496797410 /nfs/dbraw/zinc/79/74/10/496797410.db2.gz HPHRKVBOYJAQKQ-OPYAIIAOSA-N 1 3 372.557 3.021 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(OCC3CC3)cc2)C1 ZINC000191580971 496820963 /nfs/dbraw/zinc/82/09/63/496820963.db2.gz KZPKERVYJKYOCW-QFIPXVFZSA-N 1 3 366.505 3.332 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(OCC3CC3)cc2)C1 ZINC000191580971 496820968 /nfs/dbraw/zinc/82/09/68/496820968.db2.gz KZPKERVYJKYOCW-QFIPXVFZSA-N 1 3 366.505 3.332 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940885 496829369 /nfs/dbraw/zinc/82/93/69/496829369.db2.gz SSDPYNHKWGCNDX-AVRDEDQJSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940885 496829373 /nfs/dbraw/zinc/82/93/73/496829373.db2.gz SSDPYNHKWGCNDX-AVRDEDQJSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837977 /nfs/dbraw/zinc/83/79/77/496837977.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837983 /nfs/dbraw/zinc/83/79/83/496837983.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 1 3 354.922 3.193 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000247922243 496928150 /nfs/dbraw/zinc/92/81/50/496928150.db2.gz CBYOAABKXHSJBT-PCCBWWKXSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000195606599 496953563 /nfs/dbraw/zinc/95/35/63/496953563.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000195606599 496953565 /nfs/dbraw/zinc/95/35/65/496953565.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198231 496971954 /nfs/dbraw/zinc/97/19/54/496971954.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 1 3 360.542 3.006 20 0 FGADHO CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198231 496971959 /nfs/dbraw/zinc/97/19/59/496971959.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 1 3 360.542 3.006 20 0 FGADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405312 496998390 /nfs/dbraw/zinc/99/83/90/496998390.db2.gz REDGMXHISWQIRE-YPAWHYETSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405312 496998394 /nfs/dbraw/zinc/99/83/94/496998394.db2.gz REDGMXHISWQIRE-YPAWHYETSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405312 496998400 /nfs/dbraw/zinc/99/84/00/496998400.db2.gz REDGMXHISWQIRE-YPAWHYETSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405308 496998724 /nfs/dbraw/zinc/99/87/24/496998724.db2.gz REDGMXHISWQIRE-BHIFYINESA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405308 496998731 /nfs/dbraw/zinc/99/87/31/496998731.db2.gz REDGMXHISWQIRE-BHIFYINESA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405308 496998737 /nfs/dbraw/zinc/99/87/37/496998737.db2.gz REDGMXHISWQIRE-BHIFYINESA-N 1 3 369.553 3.279 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3ccccc32)C1 ZINC000248434007 497010471 /nfs/dbraw/zinc/01/04/71/497010471.db2.gz DPMCZOXKCSPJJB-TZIWHRDSSA-N 1 3 352.478 3.257 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3ccccc32)C1 ZINC000248434007 497010474 /nfs/dbraw/zinc/01/04/74/497010474.db2.gz DPMCZOXKCSPJJB-TZIWHRDSSA-N 1 3 352.478 3.257 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000569212895 505879583 /nfs/dbraw/zinc/87/95/83/505879583.db2.gz YYCNXKNWXVEVAL-DHIUTWEWSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@H](CCc1ccccc1)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212895 505879587 /nfs/dbraw/zinc/87/95/87/505879587.db2.gz YYCNXKNWXVEVAL-DHIUTWEWSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@H](CCc1ccccc1)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212895 505879592 /nfs/dbraw/zinc/87/95/92/505879592.db2.gz YYCNXKNWXVEVAL-DHIUTWEWSA-N 1 3 352.522 3.134 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192183010 497025738 /nfs/dbraw/zinc/02/57/38/497025738.db2.gz HHGXSKMHFJESJP-LNLFQRSKSA-N 1 3 356.510 3.218 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189168424 497030722 /nfs/dbraw/zinc/03/07/22/497030722.db2.gz WZIZBXDNYPZYBH-HXUWFJFHSA-N 1 3 355.526 3.325 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)CC1 ZINC000270226076 497081163 /nfs/dbraw/zinc/08/11/63/497081163.db2.gz NKVBFIJTDGNEAB-JOCHJYFZSA-N 1 3 369.553 3.476 20 0 FGADHO c1c(CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432725 497097064 /nfs/dbraw/zinc/09/70/64/497097064.db2.gz WBOFHUZSWNXKFS-IHPCNDPISA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432725 497097070 /nfs/dbraw/zinc/09/70/70/497097070.db2.gz WBOFHUZSWNXKFS-IHPCNDPISA-N 1 3 368.550 3.032 20 0 FGADHO c1c(CCN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432725 497097077 /nfs/dbraw/zinc/09/70/77/497097077.db2.gz WBOFHUZSWNXKFS-IHPCNDPISA-N 1 3 368.550 3.032 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000569235870 505886176 /nfs/dbraw/zinc/88/61/76/505886176.db2.gz REUJEGRJCLLVMB-IBGZPJMESA-N 1 3 367.493 3.088 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569235870 505886179 /nfs/dbraw/zinc/88/61/79/505886179.db2.gz REUJEGRJCLLVMB-IBGZPJMESA-N 1 3 367.493 3.088 20 0 FGADHO CC(C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000236656586 497128513 /nfs/dbraw/zinc/12/85/13/497128513.db2.gz AUFXALHOBNEZID-IFTBVCKDSA-N 1 3 369.553 3.106 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000236659489 497129182 /nfs/dbraw/zinc/12/91/82/497129182.db2.gz XVIZDCKCHBBOCX-UZKOGDIHSA-N 1 3 371.569 3.211 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000274647498 497137547 /nfs/dbraw/zinc/13/75/47/497137547.db2.gz CFJIBCYWAREWIX-SJLPKXTDSA-N 1 3 373.541 3.258 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000192557840 497148858 /nfs/dbraw/zinc/14/88/58/497148858.db2.gz ZRZGFBGCEGBBFY-KRWDZBQOSA-N 1 3 355.526 3.203 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1Cl ZINC000236975167 497174268 /nfs/dbraw/zinc/17/42/68/497174268.db2.gz XZJPCNMRTNBIGH-COXVUDFISA-N 1 3 365.905 3.140 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009535 497179611 /nfs/dbraw/zinc/17/96/11/497179611.db2.gz ZEMHVADXUBNORF-MJGOQNOKSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000192754552 497204923 /nfs/dbraw/zinc/20/49/23/497204923.db2.gz UMJFCYQNZPNMDC-QHCPKHFHSA-N 1 3 373.585 3.126 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000192754552 497204928 /nfs/dbraw/zinc/20/49/28/497204928.db2.gz UMJFCYQNZPNMDC-QHCPKHFHSA-N 1 3 373.585 3.126 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000237408302 497231797 /nfs/dbraw/zinc/23/17/97/497231797.db2.gz YTVALSUGNPLEQN-UTKZUKDTSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000237475819 497242824 /nfs/dbraw/zinc/24/28/24/497242824.db2.gz BZKSUCXRBQXGBL-GCJKJVERSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000237475819 497242830 /nfs/dbraw/zinc/24/28/30/497242830.db2.gz BZKSUCXRBQXGBL-GCJKJVERSA-N 1 3 365.521 3.277 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933712 497250823 /nfs/dbraw/zinc/25/08/23/497250823.db2.gz HXZHKRMPWGAYMD-SFHVURJKSA-N 1 3 368.477 3.078 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237536609 497252040 /nfs/dbraw/zinc/25/20/40/497252040.db2.gz XCLSPHCOZLLDGB-SJORKVTESA-N 1 3 358.530 3.157 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237567687 497256664 /nfs/dbraw/zinc/25/66/64/497256664.db2.gz YXQOGGWEODRCTO-JRGCBEDISA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237567687 497256670 /nfs/dbraw/zinc/25/66/70/497256670.db2.gz YXQOGGWEODRCTO-JRGCBEDISA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@](CO)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000237653976 497269420 /nfs/dbraw/zinc/26/94/20/497269420.db2.gz HCUMFYLZOPKHOP-QFIPXVFZSA-N 1 3 354.494 3.159 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000237861476 497304103 /nfs/dbraw/zinc/30/41/03/497304103.db2.gz ZCFTVGGKZBTVRO-RBUKOAKNSA-N 1 3 363.571 3.374 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237924685 497315009 /nfs/dbraw/zinc/31/50/09/497315009.db2.gz AGANJRYKJXTELD-LEWJYISDSA-N 1 3 351.494 3.247 20 0 FGADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000238023058 497329532 /nfs/dbraw/zinc/32/95/32/497329532.db2.gz HCIWJRDAKGHBDN-UHFFFAOYSA-N 1 3 365.521 3.195 20 0 FGADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000271459230 497354665 /nfs/dbraw/zinc/35/46/65/497354665.db2.gz HCJSXLZAOUVATK-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529110 497374553 /nfs/dbraw/zinc/37/45/53/497374553.db2.gz QRQLAYFWMOVUTL-RRQGHBQHSA-N 1 3 354.441 3.316 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC[C@H](C)C1 ZINC000255955878 497380422 /nfs/dbraw/zinc/38/04/22/497380422.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC[C@H](C)C1 ZINC000255955878 497380427 /nfs/dbraw/zinc/38/04/27/497380427.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000271583703 497390897 /nfs/dbraw/zinc/39/08/97/497390897.db2.gz XGYDVZPBZZVAPQ-GOSISDBHSA-N 1 3 373.497 3.280 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000245417808 497396082 /nfs/dbraw/zinc/39/60/82/497396082.db2.gz GIAIVFPDWIFOIA-IEBWSBKVSA-N 1 3 363.571 3.368 20 0 FGADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000275664444 497397108 /nfs/dbraw/zinc/39/71/08/497397108.db2.gz VEEFASYYFSSHOV-UNMCSNQZSA-N 1 3 368.525 3.121 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407228 /nfs/dbraw/zinc/40/72/28/497407228.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407236 /nfs/dbraw/zinc/40/72/36/497407236.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 1 3 374.573 3.413 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000275701086 497408043 /nfs/dbraw/zinc/40/80/43/497408043.db2.gz SSEDAOWZPODDLM-GOSISDBHSA-N 1 3 358.530 3.130 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271817115 497459310 /nfs/dbraw/zinc/45/93/10/497459310.db2.gz BPKOZTDSUPUQHQ-ZDUSSCGKSA-N 1 3 371.403 3.154 20 0 FGADHO C[C@]1(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884140 497467546 /nfs/dbraw/zinc/46/75/46/497467546.db2.gz ROIDENKPZPJJHF-SFHVURJKSA-N 1 3 355.448 3.213 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276021120 497482191 /nfs/dbraw/zinc/48/21/91/497482191.db2.gz CIPATJZQNADBJI-UHFFFAOYSA-N 1 3 368.525 3.217 20 0 FGADHO CCN1CCN(c2ccc(-c3nc(-c4ccc(C[NH3+])cc4)no3)cc2)CC1 ZINC000261984059 497487789 /nfs/dbraw/zinc/48/77/89/497487789.db2.gz JMJIEXVNEVFSFE-UHFFFAOYSA-N 1 3 363.465 3.004 20 0 FGADHO CC(C)(C)N1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000245681768 497499633 /nfs/dbraw/zinc/49/96/33/497499633.db2.gz JAPXEFKGTJDIBG-YSTOQKLRSA-N 1 3 355.526 3.171 20 0 FGADHO Fc1cc(F)cc(Oc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086841 497506427 /nfs/dbraw/zinc/50/64/27/497506427.db2.gz GEPBKPDWBKCLCO-IBGZPJMESA-N 1 3 373.447 3.237 20 0 FGADHO CC(C)CN1CCO[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245767646 497534312 /nfs/dbraw/zinc/53/43/12/497534312.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767646 497534316 /nfs/dbraw/zinc/53/43/16/497534316.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767646 497534317 /nfs/dbraw/zinc/53/43/17/497534317.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 1 3 371.569 3.128 20 0 FGADHO Cc1ccccc1C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000276308329 497541734 /nfs/dbraw/zinc/54/17/34/497541734.db2.gz PEGCVOMNWVFPSK-UHFFFAOYSA-N 1 3 369.553 3.092 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000245806223 497543460 /nfs/dbraw/zinc/54/34/60/497543460.db2.gz METSPRBWRLLYNA-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000245806223 497543462 /nfs/dbraw/zinc/54/34/62/497543462.db2.gz METSPRBWRLLYNA-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245838031 497547488 /nfs/dbraw/zinc/54/74/88/497547488.db2.gz CYWAUCPRMAEFKS-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245838031 497547493 /nfs/dbraw/zinc/54/74/93/497547493.db2.gz CYWAUCPRMAEFKS-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000272232139 497572288 /nfs/dbraw/zinc/57/22/88/497572288.db2.gz URPGBWVNWFIPSJ-JXFKEZNVSA-N 1 3 363.509 3.277 20 0 FGADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262685383 497599493 /nfs/dbraw/zinc/59/94/93/497599493.db2.gz XRQNXYHFOUZVRI-RXVVDRJESA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262685383 497599495 /nfs/dbraw/zinc/59/94/95/497599495.db2.gz XRQNXYHFOUZVRI-RXVVDRJESA-N 1 3 357.542 3.437 20 0 FGADHO CCC[C@](C)(N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262717003 497608067 /nfs/dbraw/zinc/60/80/67/497608067.db2.gz VWONZUIKWNTXGR-QFIPXVFZSA-N 1 3 359.558 3.355 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128640 497631111 /nfs/dbraw/zinc/63/11/11/497631111.db2.gz IVMUIYNJFYANIB-RYQLBKOJSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128640 497631114 /nfs/dbraw/zinc/63/11/14/497631114.db2.gz IVMUIYNJFYANIB-RYQLBKOJSA-N 1 3 366.575 3.255 20 0 FGADHO C[C@H](CC[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccccc1 ZINC000194367152 497645750 /nfs/dbraw/zinc/64/57/50/497645750.db2.gz VQQABOKOXWBWPR-GOSISDBHSA-N 1 3 353.510 3.261 20 0 FGADHO CC[N@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@@H](C)C(C)C ZINC000194406854 497656256 /nfs/dbraw/zinc/65/62/56/497656256.db2.gz RBDFTLZRRPLLGS-IBGZPJMESA-N 1 3 359.558 3.442 20 0 FGADHO CC[N@@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@@H](C)C(C)C ZINC000194406854 497656260 /nfs/dbraw/zinc/65/62/60/497656260.db2.gz RBDFTLZRRPLLGS-IBGZPJMESA-N 1 3 359.558 3.442 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272672771 497697694 /nfs/dbraw/zinc/69/76/94/497697694.db2.gz PYJKHURBSPSPKH-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272695456 497704565 /nfs/dbraw/zinc/70/45/65/497704565.db2.gz WYNPOTABAQXYOO-UYAOXDASSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H](NCCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695456 497704567 /nfs/dbraw/zinc/70/45/67/497704567.db2.gz WYNPOTABAQXYOO-UYAOXDASSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H](NCCc1nnc2n1CCCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695456 497704575 /nfs/dbraw/zinc/70/45/75/497704575.db2.gz WYNPOTABAQXYOO-UYAOXDASSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736568 497717034 /nfs/dbraw/zinc/71/70/34/497717034.db2.gz JURRQJUNMSECQB-KSFYIVLOSA-N 1 3 352.478 3.134 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736568 497717039 /nfs/dbraw/zinc/71/70/39/497717039.db2.gz JURRQJUNMSECQB-KSFYIVLOSA-N 1 3 352.478 3.134 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033826 497721611 /nfs/dbraw/zinc/72/16/11/497721611.db2.gz BIDLCJUTWOOQAF-MRXNPFEDSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033826 497721617 /nfs/dbraw/zinc/72/16/17/497721617.db2.gz BIDLCJUTWOOQAF-MRXNPFEDSA-N 1 3 368.319 3.194 20 0 FGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263229866 497737526 /nfs/dbraw/zinc/73/75/26/497737526.db2.gz NHUCOQAEPKTNLY-ACIOBRDBSA-N 1 3 369.553 3.409 20 0 FGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263229868 497737573 /nfs/dbraw/zinc/73/75/73/497737573.db2.gz NHUCOQAEPKTNLY-AKIFATBCSA-N 1 3 369.553 3.409 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000246515025 497759863 /nfs/dbraw/zinc/75/98/63/497759863.db2.gz KBBLEVXWIPYYMP-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000246515025 497759871 /nfs/dbraw/zinc/75/98/71/497759871.db2.gz KBBLEVXWIPYYMP-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246542106 497769533 /nfs/dbraw/zinc/76/95/33/497769533.db2.gz ASOILZCKVPQXTP-PCCBWWKXSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000246542106 497769537 /nfs/dbraw/zinc/76/95/37/497769537.db2.gz ASOILZCKVPQXTP-PCCBWWKXSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191298223 497773756 /nfs/dbraw/zinc/77/37/56/497773756.db2.gz QCYMKUCHVGJXME-FXAWDEMLSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452765 505939282 /nfs/dbraw/zinc/93/92/82/505939282.db2.gz QVPRCIXSNYFZHA-NHCUHLMSSA-N 1 3 365.521 3.493 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@H]3CC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311391 497892746 /nfs/dbraw/zinc/89/27/46/497892746.db2.gz BLLQXOKITLVMMI-DYESRHJHSA-N 1 3 369.534 3.440 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@H]3CC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311391 497892751 /nfs/dbraw/zinc/89/27/51/497892751.db2.gz BLLQXOKITLVMMI-DYESRHJHSA-N 1 3 369.534 3.440 20 0 FGADHO CC(C)C[C@H](N[C@@H]1CCc2c1cccc2Cl)C(=O)NCC[NH+](C)C ZINC000572350619 505947601 /nfs/dbraw/zinc/94/76/01/505947601.db2.gz AYONPHZUWMMISF-MSOLQXFVSA-N 1 3 351.922 3.009 20 0 FGADHO Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)c2ccccc2[nH+]1 ZINC000301153373 497973862 /nfs/dbraw/zinc/97/38/62/497973862.db2.gz OPNQJLUDDNGXOT-UHFFFAOYSA-N 1 3 362.477 3.447 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523920 505960555 /nfs/dbraw/zinc/96/05/55/505960555.db2.gz VLQYBRRDMKKGOC-QLFBSQMISA-N 1 3 370.335 3.384 20 0 FGADHO COc1cc(CN(C)CC2CC[NH+](C)CC2)cc(OC)c1OCC(F)F ZINC000289301420 498096866 /nfs/dbraw/zinc/09/68/66/498096866.db2.gz IFXGPDPKRURWTP-UHFFFAOYSA-N 1 3 372.456 3.121 20 0 FGADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)cc(OC)c1OCC(F)F ZINC000289301420 498096875 /nfs/dbraw/zinc/09/68/75/498096875.db2.gz IFXGPDPKRURWTP-UHFFFAOYSA-N 1 3 372.456 3.121 20 0 FGADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)cc(OC)c1OCC(F)F ZINC000289301420 498096884 /nfs/dbraw/zinc/09/68/84/498096884.db2.gz IFXGPDPKRURWTP-UHFFFAOYSA-N 1 3 372.456 3.121 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000572486954 505981503 /nfs/dbraw/zinc/98/15/03/505981503.db2.gz QMLJUVFSONDCEB-WIYYLYMNSA-N 1 3 357.542 3.232 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000572486954 505981504 /nfs/dbraw/zinc/98/15/04/505981504.db2.gz QMLJUVFSONDCEB-WIYYLYMNSA-N 1 3 357.542 3.232 20 0 FGADHO O=C1O[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131227 /nfs/dbraw/zinc/13/12/27/498131227.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131233 /nfs/dbraw/zinc/13/12/33/498131233.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 1 3 354.494 3.070 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517028 498178619 /nfs/dbraw/zinc/17/86/19/498178619.db2.gz HOBXHGJCUMRCGA-RTWAWAEBSA-N 1 3 355.457 3.028 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517028 498178626 /nfs/dbraw/zinc/17/86/26/498178626.db2.gz HOBXHGJCUMRCGA-RTWAWAEBSA-N 1 3 355.457 3.028 20 0 FGADHO Cc1c([C@H](C)NCCOCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000572538401 505993484 /nfs/dbraw/zinc/99/34/84/505993484.db2.gz FGNCRTWOCWQMIJ-AWEZNQCLSA-N 1 3 350.894 3.063 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000569699053 505996771 /nfs/dbraw/zinc/99/67/71/505996771.db2.gz HUHVZOHBLZMXDL-YOEHRIQHSA-N 1 3 351.560 3.294 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C4CCC4)cn3)CC2)CC1 ZINC000296863229 498227655 /nfs/dbraw/zinc/22/76/55/498227655.db2.gz GASUPHKTGZDTQH-UHFFFAOYSA-N 1 3 371.529 3.029 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNCCC(=O)Nc2ccc(C)cn2)c1 ZINC000569715945 506000192 /nfs/dbraw/zinc/00/01/92/506000192.db2.gz VMLROBQDQWZCQV-UHFFFAOYSA-N 1 3 354.498 3.350 20 0 FGADHO C[C@H]1C[C@@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883387 498235915 /nfs/dbraw/zinc/23/59/15/498235915.db2.gz OHQGNPFXXSLRPZ-FXAWDEMLSA-N 1 3 354.498 3.196 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CCCN(C2CCC2)C1 ZINC000285990250 498260792 /nfs/dbraw/zinc/26/07/92/498260792.db2.gz GZFYWWXVFCHEGJ-ZMSDIMECSA-N 1 3 357.498 3.321 20 0 FGADHO N[C@@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000360404360 498271823 /nfs/dbraw/zinc/27/18/23/498271823.db2.gz BRKHQBXNVLORKI-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925183 498355718 /nfs/dbraw/zinc/35/57/18/498355718.db2.gz VJJHMBKNWUAQSW-LJQANCHMSA-N 1 3 353.938 3.035 20 0 FGADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826217 506025996 /nfs/dbraw/zinc/02/59/96/506025996.db2.gz RJHWYSJMMUMGHR-CRAIPNDOSA-N 1 3 371.447 3.203 20 0 FGADHO CCN(Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669224 506040815 /nfs/dbraw/zinc/04/08/15/506040815.db2.gz JQFOQPCPURZMOF-GOSISDBHSA-N 1 3 364.493 3.134 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc3occc3c2)cc1 ZINC000286737999 498493435 /nfs/dbraw/zinc/49/34/35/498493435.db2.gz XZJFUTHANLPIOL-UHFFFAOYSA-N 1 3 351.450 3.014 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681332 506043725 /nfs/dbraw/zinc/04/37/25/506043725.db2.gz KSKPQHNIMRYIBG-FSSWDIPSSA-N 1 3 372.553 3.320 20 0 FGADHO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297585703 498501541 /nfs/dbraw/zinc/50/15/41/498501541.db2.gz ITUWBDGXRUTCGZ-IERDGZPVSA-N 1 3 355.482 3.425 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482403 498529540 /nfs/dbraw/zinc/52/95/40/498529540.db2.gz WXQXDOXALVWMPG-HOTGVXAUSA-N 1 3 360.571 3.404 20 0 FGADHO c1ccc(COc2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc2)nc1 ZINC000569927747 506049980 /nfs/dbraw/zinc/04/99/80/506049980.db2.gz JJYJDLKTTCMVAK-FQEVSTJZSA-N 1 3 351.494 3.482 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000578928008 506053344 /nfs/dbraw/zinc/05/33/44/506053344.db2.gz RRVJNPCIMIEJSM-QUCCMNQESA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000578928008 506053348 /nfs/dbraw/zinc/05/33/48/506053348.db2.gz RRVJNPCIMIEJSM-QUCCMNQESA-N 1 3 360.546 3.160 20 0 FGADHO CN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000297782913 498566968 /nfs/dbraw/zinc/56/69/68/498566968.db2.gz WISRIBDLMMMQSL-RTWAWAEBSA-N 1 3 372.463 3.364 20 0 FGADHO c1sc(CC[NH2+]C2CCN(c3ccncc3)CC2)nc1-c1ccncc1 ZINC000294223978 498626033 /nfs/dbraw/zinc/62/60/33/498626033.db2.gz NSIJBVWXGVYLPK-UHFFFAOYSA-N 1 3 365.506 3.401 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809676 506067462 /nfs/dbraw/zinc/06/74/62/506067462.db2.gz PUNPGPMSHAOHLL-MBOZVWFJSA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809676 506067466 /nfs/dbraw/zinc/06/74/66/506067466.db2.gz PUNPGPMSHAOHLL-MBOZVWFJSA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000303513198 498685158 /nfs/dbraw/zinc/68/51/58/498685158.db2.gz BTTUZKBREWMKHH-UHFFFAOYSA-N 1 3 361.574 3.124 20 0 FGADHO c1ccc(CN2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000298233448 498705073 /nfs/dbraw/zinc/70/50/73/498705073.db2.gz BOLYTCDSBBPEIP-UHFFFAOYSA-N 1 3 350.510 3.305 20 0 FGADHO COc1cccc(N2CC[C@@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000298248319 498708576 /nfs/dbraw/zinc/70/85/76/498708576.db2.gz DDLNAGJBOFIXKT-SFHVURJKSA-N 1 3 366.509 3.175 20 0 FGADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690832 498760759 /nfs/dbraw/zinc/76/07/59/498760759.db2.gz QJWWSXHKXVYCDD-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cccc(C)c1OC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690832 498760768 /nfs/dbraw/zinc/76/07/68/498760768.db2.gz QJWWSXHKXVYCDD-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000294710417 498779243 /nfs/dbraw/zinc/77/92/43/498779243.db2.gz BGOMAXZWORPLPP-HNNXBMFYSA-N 1 3 351.485 3.217 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363399399 498800765 /nfs/dbraw/zinc/80/07/65/498800765.db2.gz YCPMUMXEYLTDSA-NRFANRHFSA-N 1 3 374.573 3.312 20 0 FGADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000320864006 498811387 /nfs/dbraw/zinc/81/13/87/498811387.db2.gz JIBYRTVROFQFJC-UONOGXRCSA-N 1 3 361.313 3.055 20 0 FGADHO CC(C)C(=O)Nc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298551307 498811367 /nfs/dbraw/zinc/81/13/67/498811367.db2.gz UUFFMCFEYVCXDN-UHFFFAOYSA-N 1 3 352.482 3.435 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](CCCOC)CC2)c2ccccc21 ZINC000283360934 498863088 /nfs/dbraw/zinc/86/30/88/498863088.db2.gz NDSRANYKHACWGR-NHCUHLMSSA-N 1 3 374.525 3.259 20 0 FGADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000287889623 498894106 /nfs/dbraw/zinc/89/41/06/498894106.db2.gz YYDUVTNHRIZBKG-KSZLIROESA-N 1 3 356.432 3.251 20 0 FGADHO CCN1CCC(N(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C2CC2)CC1 ZINC000363629780 498914759 /nfs/dbraw/zinc/91/47/59/498914759.db2.gz GJDISIBJNPUIBC-UHFFFAOYSA-N 1 3 355.526 3.371 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186957 506113088 /nfs/dbraw/zinc/11/30/88/506113088.db2.gz SIPAETYRUJBBDL-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1c(F)cccc1NC(=O)CCNCc1ccc(CC[NH+](C)C)cc1 ZINC000576272923 506118717 /nfs/dbraw/zinc/11/87/17/506118717.db2.gz TXRWWGJNCOBNQN-UHFFFAOYSA-N 1 3 357.473 3.357 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940318 /nfs/dbraw/zinc/94/03/18/498940318.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 1 3 355.526 3.191 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940324 /nfs/dbraw/zinc/94/03/24/498940324.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 1 3 355.526 3.191 20 0 FGADHO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288185871 498962844 /nfs/dbraw/zinc/96/28/44/498962844.db2.gz PXFRACJNOKSGFN-PXNSSMCTSA-N 1 3 360.546 3.051 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092160 499046641 /nfs/dbraw/zinc/04/66/41/499046641.db2.gz MARFVNBHECRQIK-QHCPKHFHSA-N 1 3 371.569 3.228 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280249 499081525 /nfs/dbraw/zinc/08/15/25/499081525.db2.gz XXAPKYVEQZQRMW-PKTZIBPZSA-N 1 3 371.569 3.085 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280239 499081798 /nfs/dbraw/zinc/08/17/98/499081798.db2.gz XXAPKYVEQZQRMW-DHIUTWEWSA-N 1 3 371.569 3.085 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284451463 499109465 /nfs/dbraw/zinc/10/94/65/499109465.db2.gz UJERVRGIKLZGJE-NJYVYQBISA-N 1 3 358.526 3.453 20 0 FGADHO CCc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000367059949 499141845 /nfs/dbraw/zinc/14/18/45/499141845.db2.gz MQGVCHRUUFRDKU-LAUBAEHRSA-N 1 3 352.526 3.259 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209987 499162331 /nfs/dbraw/zinc/16/23/31/499162331.db2.gz YLAALSIWICMWBU-IFXJQAMLSA-N 1 3 350.453 3.195 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209987 499162333 /nfs/dbraw/zinc/16/23/33/499162333.db2.gz YLAALSIWICMWBU-IFXJQAMLSA-N 1 3 350.453 3.195 20 0 FGADHO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@H](CN3CCCCC3)C2)CC1 ZINC000367259981 499169982 /nfs/dbraw/zinc/16/99/82/499169982.db2.gz YXAWBNHMPFLAAV-NRFANRHFSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@H](CN3CCCCC3)C2)CC1 ZINC000367259981 499169985 /nfs/dbraw/zinc/16/99/85/499169985.db2.gz YXAWBNHMPFLAAV-NRFANRHFSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)CC(=O)N1CCC(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259981 499169988 /nfs/dbraw/zinc/16/99/88/499169988.db2.gz YXAWBNHMPFLAAV-NRFANRHFSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374460 499190363 /nfs/dbraw/zinc/19/03/63/499190363.db2.gz IOJOCDKWOCDODN-SFTDATJTSA-N 1 3 355.526 3.127 20 0 FGADHO C[C@H](CCNC(=O)N1CCCC12CCN(C)CC2)[N@H+](C)Cc1ccccc1 ZINC000367467499 499202864 /nfs/dbraw/zinc/20/28/64/499202864.db2.gz PTFUJLSAJBUGMR-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CCNC(=O)N1CCCC12CCN(C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000367467499 499202865 /nfs/dbraw/zinc/20/28/65/499202865.db2.gz PTFUJLSAJBUGMR-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236064 /nfs/dbraw/zinc/23/60/64/499236064.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 1 3 359.558 3.398 20 0 FGADHO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccncc2-c2cccnc2)C1 ZINC000367934399 499247280 /nfs/dbraw/zinc/24/72/80/499247280.db2.gz IDYIPYYOMXXHRX-LJQANCHMSA-N 1 3 359.477 3.497 20 0 FGADHO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ccncc2-c2cccnc2)C1 ZINC000367934399 499247282 /nfs/dbraw/zinc/24/72/82/499247282.db2.gz IDYIPYYOMXXHRX-LJQANCHMSA-N 1 3 359.477 3.497 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000368297317 499283090 /nfs/dbraw/zinc/28/30/90/499283090.db2.gz WJPRBGZNYOJMQK-OWSLCNJRSA-N 1 3 351.535 3.238 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624750 499314871 /nfs/dbraw/zinc/31/48/71/499314871.db2.gz WOVVKPQZMOBTTL-SFHVURJKSA-N 1 3 368.525 3.321 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624750 499314873 /nfs/dbraw/zinc/31/48/73/499314873.db2.gz WOVVKPQZMOBTTL-SFHVURJKSA-N 1 3 368.525 3.321 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[N@@H+]1C ZINC000368687122 499321783 /nfs/dbraw/zinc/32/17/83/499321783.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[N@H+]1C ZINC000368687122 499321785 /nfs/dbraw/zinc/32/17/85/499321785.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 1 3 369.553 3.231 20 0 FGADHO C[N@@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2ccncc2)CC1 ZINC000368814456 499335578 /nfs/dbraw/zinc/33/55/78/499335578.db2.gz SBZJSJBODYRKHN-UHFFFAOYSA-N 1 3 365.525 3.425 20 0 FGADHO C[N@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2ccncc2)CC1 ZINC000368814456 499335579 /nfs/dbraw/zinc/33/55/79/499335579.db2.gz SBZJSJBODYRKHN-UHFFFAOYSA-N 1 3 365.525 3.425 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000371762620 499362870 /nfs/dbraw/zinc/36/28/70/499362870.db2.gz MMGMBTPDIPGFSP-IEBWSBKVSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000371762620 499362871 /nfs/dbraw/zinc/36/28/71/499362871.db2.gz MMGMBTPDIPGFSP-IEBWSBKVSA-N 1 3 357.523 3.233 20 0 FGADHO COc1cccc(CC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000369197124 499376500 /nfs/dbraw/zinc/37/65/00/499376500.db2.gz HJGVSGMLGLXPJU-UHFFFAOYSA-N 1 3 373.585 3.366 20 0 FGADHO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000372348721 499423851 /nfs/dbraw/zinc/42/38/51/499423851.db2.gz QSRVMQPSTUMWDZ-AZUAARDMSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348721 499423853 /nfs/dbraw/zinc/42/38/53/499423853.db2.gz QSRVMQPSTUMWDZ-AZUAARDMSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348721 499423855 /nfs/dbraw/zinc/42/38/55/499423855.db2.gz QSRVMQPSTUMWDZ-AZUAARDMSA-N 1 3 366.509 3.219 20 0 FGADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424840 499433111 /nfs/dbraw/zinc/43/31/11/499433111.db2.gz IMVIRSMFJMGYQC-RTWAWAEBSA-N 1 3 361.574 3.364 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000373033440 499448232 /nfs/dbraw/zinc/44/82/32/499448232.db2.gz WGDXBZYEKYCVGD-KRWDZBQOSA-N 1 3 371.550 3.452 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000373033440 499448233 /nfs/dbraw/zinc/44/82/33/499448233.db2.gz WGDXBZYEKYCVGD-KRWDZBQOSA-N 1 3 371.550 3.452 20 0 FGADHO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000378431810 499516159 /nfs/dbraw/zinc/51/61/59/499516159.db2.gz OUJHPASBIKXHNQ-NRFANRHFSA-N 1 3 367.541 3.111 20 0 FGADHO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000378431810 499516161 /nfs/dbraw/zinc/51/61/61/499516161.db2.gz OUJHPASBIKXHNQ-NRFANRHFSA-N 1 3 367.541 3.111 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CCC[C@H](CN3CCN(C)CC3)C2)c1C ZINC000378653699 499541249 /nfs/dbraw/zinc/54/12/49/499541249.db2.gz UCXBRQMCNVSGCY-LJQANCHMSA-N 1 3 352.526 3.315 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643766 499542203 /nfs/dbraw/zinc/54/22/03/499542203.db2.gz GBULNRXBMDNLFF-GIVPXCGWSA-N 1 3 354.494 3.069 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643766 499542204 /nfs/dbraw/zinc/54/22/04/499542204.db2.gz GBULNRXBMDNLFF-GIVPXCGWSA-N 1 3 354.494 3.069 20 0 FGADHO COc1cc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc(OC)c1O ZINC000379623249 499542280 /nfs/dbraw/zinc/54/22/80/499542280.db2.gz IAKOYBRVYBNUKK-INIZCTEOSA-N 1 3 358.482 3.410 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676788 499542635 /nfs/dbraw/zinc/54/26/35/499542635.db2.gz AWNBERMDCQDTBD-UIFIKXQLSA-N 1 3 357.542 3.453 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676788 499542637 /nfs/dbraw/zinc/54/26/37/499542637.db2.gz AWNBERMDCQDTBD-UIFIKXQLSA-N 1 3 357.542 3.453 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)CN(C)C ZINC000380101584 499543325 /nfs/dbraw/zinc/54/33/25/499543325.db2.gz XKJRLSLGPVSBRS-JTQLQIEISA-N 1 3 364.125 3.499 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382765297 499546182 /nfs/dbraw/zinc/54/61/82/499546182.db2.gz RSCHOORJDWIVSN-LJQANCHMSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000397965997 499565572 /nfs/dbraw/zinc/56/55/72/499565572.db2.gz GXUDZLJECPARRU-NQSCKRDGSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000397965997 499565574 /nfs/dbraw/zinc/56/55/74/499565574.db2.gz GXUDZLJECPARRU-NQSCKRDGSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000397965996 499565638 /nfs/dbraw/zinc/56/56/38/499565638.db2.gz GXUDZLJECPARRU-AGHHOFFYSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000397965996 499565640 /nfs/dbraw/zinc/56/56/40/499565640.db2.gz GXUDZLJECPARRU-AGHHOFFYSA-N 1 3 372.484 3.066 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617286 499711066 /nfs/dbraw/zinc/71/10/66/499711066.db2.gz AJNNIDHAXVMRSC-FXAWDEMLSA-N 1 3 356.466 3.192 20 0 FGADHO CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218335 499712752 /nfs/dbraw/zinc/71/27/52/499712752.db2.gz IARCFFPEWHYVOL-OAQYLSRUSA-N 1 3 357.542 3.411 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377704287 499722476 /nfs/dbraw/zinc/72/24/76/499722476.db2.gz WNKNYEHSTYGZPC-RLLQIKCJSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377704287 499722477 /nfs/dbraw/zinc/72/24/77/499722477.db2.gz WNKNYEHSTYGZPC-RLLQIKCJSA-N 1 3 370.493 3.204 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000411365254 499729975 /nfs/dbraw/zinc/72/99/75/499729975.db2.gz BZYRITYPRLCJBM-JOCHJYFZSA-N 1 3 357.542 3.497 20 0 FGADHO Cc1ccc2ncc(CN3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411435563 499739890 /nfs/dbraw/zinc/73/98/90/499739890.db2.gz ZTNGHOFYTNRBOH-GOSISDBHSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1ccc2ncc(CN3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411435563 499739891 /nfs/dbraw/zinc/73/98/91/499739891.db2.gz ZTNGHOFYTNRBOH-GOSISDBHSA-N 1 3 352.526 3.144 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000411453192 499742517 /nfs/dbraw/zinc/74/25/17/499742517.db2.gz JJHYNQWVLDZGOQ-NRFANRHFSA-N 1 3 361.505 3.247 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1nc2ccccc2c(=O)[nH]1 ZINC000411547389 499753526 /nfs/dbraw/zinc/75/35/26/499753526.db2.gz CEOQZMQZXHYLTP-FUHWJXTLSA-N 1 3 356.514 3.368 20 0 FGADHO CCCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414185591 499766890 /nfs/dbraw/zinc/76/68/90/499766890.db2.gz GRZBTPKJHADQQO-NRFANRHFSA-N 1 3 359.558 3.304 20 0 FGADHO Cc1c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000414298314 499775459 /nfs/dbraw/zinc/77/54/59/499775459.db2.gz GXHNMFMATLANJQ-SFHVURJKSA-N 1 3 370.541 3.450 20 0 FGADHO CCc1cccnc1[C@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311775 499776390 /nfs/dbraw/zinc/77/63/90/499776390.db2.gz VIXKQUUOIYNHNT-SFHVURJKSA-N 1 3 353.510 3.322 20 0 FGADHO CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000414312824 499776769 /nfs/dbraw/zinc/77/67/69/499776769.db2.gz WXYKWJFLBVQBGF-LJQANCHMSA-N 1 3 370.541 3.012 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000414324933 499777985 /nfs/dbraw/zinc/77/79/85/499777985.db2.gz LGERWZFMDKAWGB-SFTDATJTSA-N 1 3 355.526 3.052 20 0 FGADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000411766279 499788203 /nfs/dbraw/zinc/78/82/03/499788203.db2.gz INCWNGCKXZNTGJ-UHFFFAOYSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556173 499808311 /nfs/dbraw/zinc/80/83/11/499808311.db2.gz NTQHMINZIRIMFN-YLJYHZDGSA-N 1 3 357.542 3.300 20 0 FGADHO COc1c(Br)cccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778555 499830096 /nfs/dbraw/zinc/83/00/96/499830096.db2.gz JBPFWDCOULUABX-KBPBESRZSA-N 1 3 353.304 3.279 20 0 FGADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414808182 499833279 /nfs/dbraw/zinc/83/32/79/499833279.db2.gz RXTVTPRKNJBJKR-JSGCOSHPSA-N 1 3 357.292 3.073 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414812150 499833729 /nfs/dbraw/zinc/83/37/29/499833729.db2.gz WXUDFNZWSBOVSX-DVOMOZLQSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414812150 499833730 /nfs/dbraw/zinc/83/37/30/499833730.db2.gz WXUDFNZWSBOVSX-DVOMOZLQSA-N 1 3 368.319 3.273 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CC1 ZINC000412212185 499834674 /nfs/dbraw/zinc/83/46/74/499834674.db2.gz HCLHYFUHLFBDOW-QFIPXVFZSA-N 1 3 369.553 3.476 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC2(C)CC[NH2+]CC2)c1 ZINC000414912618 499843837 /nfs/dbraw/zinc/84/38/37/499843837.db2.gz VKNMIZOVRSQJEV-UHFFFAOYSA-N 1 3 355.482 3.149 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414917932 499844793 /nfs/dbraw/zinc/84/47/93/499844793.db2.gz SNCYAYHHODTWHO-DYVFJYSZSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414917932 499844795 /nfs/dbraw/zinc/84/47/95/499844795.db2.gz SNCYAYHHODTWHO-DYVFJYSZSA-N 1 3 368.319 3.146 20 0 FGADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414994704 499852576 /nfs/dbraw/zinc/85/25/76/499852576.db2.gz MLPGCQRRUQNDJA-DGCLKSJQSA-N 1 3 357.292 3.073 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000415020519 499855591 /nfs/dbraw/zinc/85/55/91/499855591.db2.gz GQMUIEYZWZOCPL-HDJSIYSDSA-N 1 3 359.495 3.394 20 0 FGADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066335 499860211 /nfs/dbraw/zinc/86/02/11/499860211.db2.gz AJXNIZBATCHAGU-KSEOMHKRSA-N 1 3 356.558 3.470 20 0 FGADHO c1ccc([C@@H]2C[C@H](NCc3ccccc3CN3CCOCC3)CC[NH2+]2)cc1 ZINC000415077322 499861206 /nfs/dbraw/zinc/86/12/06/499861206.db2.gz HMSJZYNZFKLWQQ-PKTZIBPZSA-N 1 3 365.521 3.102 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081809 499861624 /nfs/dbraw/zinc/86/16/24/499861624.db2.gz CGXIAHVJKZORDN-HRAATJIYSA-N 1 3 371.912 3.216 20 0 FGADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(F)c1 ZINC000412585608 499865981 /nfs/dbraw/zinc/86/59/81/499865981.db2.gz VMSDVQWTEXHOIL-MRXNPFEDSA-N 1 3 365.518 3.043 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910073 499927462 /nfs/dbraw/zinc/92/74/62/499927462.db2.gz AVNFCQBLWZYJSI-UWJYYQICSA-N 1 3 366.509 3.438 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000415915831 499927992 /nfs/dbraw/zinc/92/79/92/499927992.db2.gz AHFMKYDBIZBEQN-INIZCTEOSA-N 1 3 367.497 3.148 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960580 499933719 /nfs/dbraw/zinc/93/37/19/499933719.db2.gz QIIHHJOFAVGVIL-BBRMVZONSA-N 1 3 370.419 3.112 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960580 499933721 /nfs/dbraw/zinc/93/37/21/499933721.db2.gz QIIHHJOFAVGVIL-BBRMVZONSA-N 1 3 370.419 3.112 20 0 FGADHO CCC[NH+]1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415960783 499933766 /nfs/dbraw/zinc/93/37/66/499933766.db2.gz CFTNVAXBSWFBHE-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000415972586 499935618 /nfs/dbraw/zinc/93/56/18/499935618.db2.gz NCBWDZGHBILJHY-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976867 499936201 /nfs/dbraw/zinc/93/62/01/499936201.db2.gz VYDSXSHVZHDXKS-CHWSQXEVSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976867 499936203 /nfs/dbraw/zinc/93/62/03/499936203.db2.gz VYDSXSHVZHDXKS-CHWSQXEVSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415983058 499937131 /nfs/dbraw/zinc/93/71/31/499937131.db2.gz YVKZFSPXHDOZKC-MRXNPFEDSA-N 1 3 352.482 3.492 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000417103366 499973525 /nfs/dbraw/zinc/97/35/25/499973525.db2.gz DAQCPBOGDGEBGV-UTKZUKDTSA-N 1 3 366.509 3.170 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425000296 499988613 /nfs/dbraw/zinc/98/86/13/499988613.db2.gz BCGKYAXYSZVJOL-FCHUYYIVSA-N 1 3 363.505 3.095 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425000296 499988616 /nfs/dbraw/zinc/98/86/16/499988616.db2.gz BCGKYAXYSZVJOL-FCHUYYIVSA-N 1 3 363.505 3.095 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208681 500006007 /nfs/dbraw/zinc/00/60/07/500006007.db2.gz BIVFUJDQLMPUCJ-TZIWHRDSSA-N 1 3 372.557 3.230 20 0 FGADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417212997 500006537 /nfs/dbraw/zinc/00/65/37/500006537.db2.gz IMTQHDQZNLTSHN-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417220703 500008794 /nfs/dbraw/zinc/00/87/94/500008794.db2.gz YWHXDWPEEWTHGT-UYAOXDASSA-N 1 3 360.546 3.276 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416491 500074532 /nfs/dbraw/zinc/07/45/32/500074532.db2.gz DBDUHJYDWJJWEF-XLIONFOSSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCN(c3cccnn3)CC2)CC1 ZINC000429416491 500074533 /nfs/dbraw/zinc/07/45/33/500074533.db2.gz DBDUHJYDWJJWEF-XLIONFOSSA-N 1 3 357.546 3.078 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537156 500100608 /nfs/dbraw/zinc/10/06/08/500100608.db2.gz CPKXFPHIKWNIOF-YLJYHZDGSA-N 1 3 360.546 3.229 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537156 500100612 /nfs/dbraw/zinc/10/06/12/500100612.db2.gz CPKXFPHIKWNIOF-YLJYHZDGSA-N 1 3 360.546 3.229 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416829229 500131552 /nfs/dbraw/zinc/13/15/52/500131552.db2.gz FOXKLIMUICKSGX-DLBZAZTESA-N 1 3 366.575 3.338 20 0 FGADHO N[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000416888483 500148317 /nfs/dbraw/zinc/14/83/17/500148317.db2.gz JALLNIJMBKAGHS-NRFANRHFSA-N 1 3 366.509 3.172 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000416935548 500160607 /nfs/dbraw/zinc/16/06/07/500160607.db2.gz GPMMMQHCFORONE-FQEVSTJZSA-N 1 3 360.546 3.229 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426033324 500228951 /nfs/dbraw/zinc/22/89/51/500228951.db2.gz FAJPPQKYJUVSGY-IBGZPJMESA-N 1 3 359.901 3.065 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418148683 500237473 /nfs/dbraw/zinc/23/74/73/500237473.db2.gz ACQUOAWRGBBRAP-DFQSSKMNSA-N 1 3 372.557 3.198 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N(CC)CC)cc1 ZINC000418209275 500249774 /nfs/dbraw/zinc/24/97/74/500249774.db2.gz FDHASNXSBJFNRC-SOAGJPPSSA-N 1 3 360.546 3.201 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560691 500255096 /nfs/dbraw/zinc/25/50/96/500255096.db2.gz XHCLYRHDRJEKHV-OAHLLOKOSA-N 1 3 356.308 3.083 20 0 FGADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H](N)c2ccccc2)CCC1 ZINC000418246806 500255160 /nfs/dbraw/zinc/25/51/60/500255160.db2.gz QDBIUPAKCNUWNO-FQEVSTJZSA-N 1 3 366.509 3.040 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H](N)c2ccccc2)CCC1 ZINC000418246806 500255162 /nfs/dbraw/zinc/25/51/62/500255162.db2.gz QDBIUPAKCNUWNO-FQEVSTJZSA-N 1 3 366.509 3.040 20 0 FGADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572081 500256632 /nfs/dbraw/zinc/25/66/32/500256632.db2.gz NFDSQJWCLLJYET-ROUUACIJSA-N 1 3 371.569 3.453 20 0 FGADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430572078 500256671 /nfs/dbraw/zinc/25/66/71/500256671.db2.gz NFDSQJWCLLJYET-QZTJIDSGSA-N 1 3 371.569 3.453 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337983 500264781 /nfs/dbraw/zinc/26/47/81/500264781.db2.gz YQOWSZSZBOXFGQ-UXPWSPDFSA-N 1 3 360.546 3.324 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337983 500264782 /nfs/dbraw/zinc/26/47/82/500264782.db2.gz YQOWSZSZBOXFGQ-UXPWSPDFSA-N 1 3 360.546 3.324 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418343300 500265112 /nfs/dbraw/zinc/26/51/12/500265112.db2.gz FKRDMYGPLYYRJT-OAQYLSRUSA-N 1 3 368.525 3.023 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418453772 500278626 /nfs/dbraw/zinc/27/86/26/500278626.db2.gz ZLSSVTGNOLYCBT-RLLQIKCJSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000418485924 500282800 /nfs/dbraw/zinc/28/28/00/500282800.db2.gz HTUWEYCVIBNKDJ-HNNXBMFYSA-N 1 3 360.527 3.041 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418496073 500283979 /nfs/dbraw/zinc/28/39/79/500283979.db2.gz CIXBNUAVZVUUJR-IBGZPJMESA-N 1 3 354.498 3.013 20 0 FGADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418512979 500286747 /nfs/dbraw/zinc/28/67/47/500286747.db2.gz FOMPYCRHWDAWDO-RCZSKKKRSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422703278 500287539 /nfs/dbraw/zinc/28/75/39/500287539.db2.gz HKXCIKFXNUCWAN-IJEWVQPXSA-N 1 3 352.320 3.006 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731689 500291805 /nfs/dbraw/zinc/29/18/05/500291805.db2.gz OAMDKFDRYGZYTF-CKEIUWERSA-N 1 3 357.420 3.142 20 0 FGADHO COc1ccccc1[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)N(C)C ZINC000422743663 500293252 /nfs/dbraw/zinc/29/32/52/500293252.db2.gz IVWUZIKTIQKKRH-TYPHKJRUSA-N 1 3 353.510 3.381 20 0 FGADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746964 500293943 /nfs/dbraw/zinc/29/39/43/500293943.db2.gz XSPXGTPYSXPREL-RJGXRXQPSA-N 1 3 371.569 3.044 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762549 500295287 /nfs/dbraw/zinc/29/52/87/500295287.db2.gz NXTNDNOBQBAMKY-WMLDXEAASA-N 1 3 356.432 3.471 20 0 FGADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422816660 500301915 /nfs/dbraw/zinc/30/19/15/500301915.db2.gz FQFYNOXHSGPYIE-PWRODBHTSA-N 1 3 352.526 3.374 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418656969 500302490 /nfs/dbraw/zinc/30/24/90/500302490.db2.gz TVWLVIYMHFHUFO-UXHICEINSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422852490 500306123 /nfs/dbraw/zinc/30/61/23/500306123.db2.gz AWOKOHJALZHLNW-BULFRSBZSA-N 1 3 354.494 3.245 20 0 FGADHO COCCOc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422860294 500306749 /nfs/dbraw/zinc/30/67/49/500306749.db2.gz LHXWWEMHVKANBA-IRLDBZIGSA-N 1 3 368.477 3.057 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@H]2CN)CCOCC1 ZINC000422899204 500313211 /nfs/dbraw/zinc/31/32/11/500313211.db2.gz GZSOTUPDLCEVGR-WMLDXEAASA-N 1 3 352.906 3.114 20 0 FGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422897118 500313239 /nfs/dbraw/zinc/31/32/39/500313239.db2.gz JAIFLMMYAHNRAO-OKZBNKHCSA-N 1 3 352.906 3.164 20 0 FGADHO C[C@H](NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422903515 500313984 /nfs/dbraw/zinc/31/39/84/500313984.db2.gz WHPITGQNKUDPSX-DAYGRLMNSA-N 1 3 366.347 3.396 20 0 FGADHO COc1ccc(C2(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905902 500314947 /nfs/dbraw/zinc/31/49/47/500314947.db2.gz ZSRTVTKXFKYVTQ-RTWAWAEBSA-N 1 3 352.478 3.478 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](CC)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000422918226 500316363 /nfs/dbraw/zinc/31/63/63/500316363.db2.gz HNYNPDVCYPHFPS-SUMWQHHRSA-N 1 3 354.441 3.327 20 0 FGADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923783 500317540 /nfs/dbraw/zinc/31/75/40/500317540.db2.gz XBJXFEAAFMRPQH-NRSPTQNISA-N 1 3 356.441 3.359 20 0 FGADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422929016 500318221 /nfs/dbraw/zinc/31/82/21/500318221.db2.gz NXZLDZSNDBQFKW-NJDAHSKKSA-N 1 3 362.514 3.373 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)c1 ZINC000422929016 500318223 /nfs/dbraw/zinc/31/82/23/500318223.db2.gz NXZLDZSNDBQFKW-NJDAHSKKSA-N 1 3 362.514 3.373 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423406317 500370915 /nfs/dbraw/zinc/37/09/15/500370915.db2.gz UPRHEQZPHRLJFK-XJKCOSOUSA-N 1 3 372.294 3.200 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952502 500322264 /nfs/dbraw/zinc/32/22/64/500322264.db2.gz COKRJHQXRQOYOW-AVRGHOLYSA-N 1 3 373.360 3.272 20 0 FGADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422952502 500322266 /nfs/dbraw/zinc/32/22/66/500322266.db2.gz COKRJHQXRQOYOW-AVRGHOLYSA-N 1 3 373.360 3.272 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952284 500322606 /nfs/dbraw/zinc/32/26/06/500322606.db2.gz CBLPTMBLVAMAKI-GFCCVEGCSA-N 1 3 371.872 3.445 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418788877 500323503 /nfs/dbraw/zinc/32/35/03/500323503.db2.gz LMSPVGSJNMROJC-HBMCJLEFSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040942 500327499 /nfs/dbraw/zinc/32/74/99/500327499.db2.gz PVTFRVTVYSUHQO-QZTJIDSGSA-N 1 3 365.521 3.481 20 0 FGADHO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)cc2)cc1 ZINC000423015090 500330694 /nfs/dbraw/zinc/33/06/94/500330694.db2.gz QKCFILFBAOJGQJ-URZJWIJPSA-N 1 3 370.493 3.372 20 0 FGADHO COc1ccc(Oc2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000423015090 500330697 /nfs/dbraw/zinc/33/06/97/500330697.db2.gz QKCFILFBAOJGQJ-URZJWIJPSA-N 1 3 370.493 3.372 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058719 500336675 /nfs/dbraw/zinc/33/66/75/500336675.db2.gz KGPNTHAQXZJJMB-IUIKQTSFSA-N 1 3 360.395 3.218 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058719 500336676 /nfs/dbraw/zinc/33/66/76/500336676.db2.gz KGPNTHAQXZJJMB-IUIKQTSFSA-N 1 3 360.395 3.218 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2cc(F)c(Cl)cc2F)CC[NH2+]CC1 ZINC000423088592 500340704 /nfs/dbraw/zinc/34/07/04/500340704.db2.gz SIGLLYPTXHMOFD-LLVKDONJSA-N 1 3 360.832 3.029 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099359 500341590 /nfs/dbraw/zinc/34/15/90/500341590.db2.gz TXOVNJBBLDNXKP-ZANVPECISA-N 1 3 369.225 3.218 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102633 500342575 /nfs/dbraw/zinc/34/25/75/500342575.db2.gz KIRVIGRLWOKJEV-BHDDXSALSA-N 1 3 357.542 3.170 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141103 500347856 /nfs/dbraw/zinc/34/78/56/500347856.db2.gz NYAJESLEPBWNRR-LKPRIIMKSA-N 1 3 353.304 3.037 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423141103 500347857 /nfs/dbraw/zinc/34/78/57/500347857.db2.gz NYAJESLEPBWNRR-LKPRIIMKSA-N 1 3 353.304 3.037 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000423149325 500348587 /nfs/dbraw/zinc/34/85/87/500348587.db2.gz HHIKFBPOPMIAIB-DLBZAZTESA-N 1 3 350.503 3.285 20 0 FGADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423174898 500351083 /nfs/dbraw/zinc/35/10/83/500351083.db2.gz CYPVFIYHEVEHBY-ZTFGCOKTSA-N 1 3 350.453 3.133 20 0 FGADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423182652 500352466 /nfs/dbraw/zinc/35/24/66/500352466.db2.gz QVVVXTSKVBFLER-LJQANCHMSA-N 1 3 353.510 3.212 20 0 FGADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423182651 500352669 /nfs/dbraw/zinc/35/26/69/500352669.db2.gz QVVVXTSKVBFLER-IBGZPJMESA-N 1 3 353.510 3.212 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293927 500362501 /nfs/dbraw/zinc/36/25/01/500362501.db2.gz SNQPOLPLRIKIRG-CVEARBPZSA-N 1 3 373.522 3.097 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197395 500365834 /nfs/dbraw/zinc/36/58/34/500365834.db2.gz CPNOXWGZCBBILI-ICSRJNTNSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000423357068 500367082 /nfs/dbraw/zinc/36/70/82/500367082.db2.gz LESNIJJSAPQBRM-FQEVSTJZSA-N 1 3 357.542 3.483 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423360357 500367634 /nfs/dbraw/zinc/36/76/34/500367634.db2.gz LHJOPGKPCXBYEB-PXNSSMCTSA-N 1 3 351.494 3.014 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393883 500369688 /nfs/dbraw/zinc/36/96/88/500369688.db2.gz RMZQMHYCMJYGSL-BXUZGUMPSA-N 1 3 369.353 3.192 20 0 FGADHO COC[C@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCCN1 ZINC000423418515 500373268 /nfs/dbraw/zinc/37/32/68/500373268.db2.gz USMHSVOHJOIEET-QZTJIDSGSA-N 1 3 367.331 3.128 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423452820 500375814 /nfs/dbraw/zinc/37/58/14/500375814.db2.gz JXZQFFOWWBAOKS-XZOAIXRZSA-N 1 3 369.431 3.003 20 0 FGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccc1I ZINC000423465946 500376765 /nfs/dbraw/zinc/37/67/65/500376765.db2.gz AENZIDUNTUBPKC-QWHCGFSZSA-N 1 3 358.267 3.474 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286952 500377707 /nfs/dbraw/zinc/37/77/07/500377707.db2.gz IAZVHJUOARWNPX-TZIWHRDSSA-N 1 3 357.542 3.137 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286950 500377838 /nfs/dbraw/zinc/37/78/38/500377838.db2.gz IAZVHJUOARWNPX-FPOVZHCZSA-N 1 3 357.542 3.137 20 0 FGADHO C[NH2+]CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423737719 500397780 /nfs/dbraw/zinc/39/77/80/500397780.db2.gz DBIYJRUWCCZHDQ-UHFFFAOYSA-N 1 3 358.313 3.027 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])c2)CC1 ZINC000423854874 500412452 /nfs/dbraw/zinc/41/24/52/500412452.db2.gz WDTDDUOEBPDCRD-CTNGQTDRSA-N 1 3 358.530 3.063 20 0 FGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697109 500421938 /nfs/dbraw/zinc/42/19/38/500421938.db2.gz MFFGWABRSQLTBN-WMZOPIPTSA-N 1 3 361.555 3.017 20 0 FGADHO CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270864 500431840 /nfs/dbraw/zinc/43/18/40/500431840.db2.gz JVODJVVLIBUXKF-FQEVSTJZSA-N 1 3 357.523 3.028 20 0 FGADHO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCNCC1 ZINC000420270864 500431842 /nfs/dbraw/zinc/43/18/42/500431842.db2.gz JVODJVVLIBUXKF-FQEVSTJZSA-N 1 3 357.523 3.028 20 0 FGADHO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCNCC1 ZINC000420270864 500431844 /nfs/dbraw/zinc/43/18/44/500431844.db2.gz JVODJVVLIBUXKF-FQEVSTJZSA-N 1 3 357.523 3.028 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313169 500439693 /nfs/dbraw/zinc/43/96/93/500439693.db2.gz XPRMJHFRRVGGKQ-TZIWHRDSSA-N 1 3 354.494 3.276 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313169 500439695 /nfs/dbraw/zinc/43/96/95/500439695.db2.gz XPRMJHFRRVGGKQ-TZIWHRDSSA-N 1 3 354.494 3.276 20 0 FGADHO CCN(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000420333539 500443313 /nfs/dbraw/zinc/44/33/13/500443313.db2.gz HREKUMISZKMUSN-OXQOHEQNSA-N 1 3 361.505 3.199 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337946 500443939 /nfs/dbraw/zinc/44/39/39/500443939.db2.gz XLOPQOAHUQJNPL-HIFRSBDPSA-N 1 3 358.404 3.334 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420340613 500444924 /nfs/dbraw/zinc/44/49/24/500444924.db2.gz MVXISEXFIQOIQH-XGHQBKJUSA-N 1 3 357.542 3.279 20 0 FGADHO CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344273 500445744 /nfs/dbraw/zinc/44/57/44/500445744.db2.gz SJOISRKNTJAWFA-WJMWBRGCSA-N 1 3 357.542 3.354 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000420386076 500452396 /nfs/dbraw/zinc/45/23/96/500452396.db2.gz UPIYPUHWQYYRLD-VXKWHMMOSA-N 1 3 354.494 3.437 20 0 FGADHO CC(C)n1cncc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000424127386 500458374 /nfs/dbraw/zinc/45/83/74/500458374.db2.gz CUEBOOMGMYSSMR-UHFFFAOYSA-N 1 3 355.530 3.156 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258961 500476513 /nfs/dbraw/zinc/47/65/13/500476513.db2.gz CLWYTDUWSGDXFS-HXUWFJFHSA-N 1 3 372.582 3.434 20 0 FGADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302404 500484134 /nfs/dbraw/zinc/48/41/34/500484134.db2.gz ZJXNTOCTCXAUKB-IRXDYDNUSA-N 1 3 369.509 3.416 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000424440895 500506193 /nfs/dbraw/zinc/50/61/93/500506193.db2.gz VSGDZSAOWVHUMC-MRXNPFEDSA-N 1 3 367.497 3.196 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000420839717 500513577 /nfs/dbraw/zinc/51/35/77/500513577.db2.gz TURZATLREOOHJQ-QETWGEEDSA-N 1 3 372.557 3.213 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420903668 500526924 /nfs/dbraw/zinc/52/69/24/500526924.db2.gz OLZZLTIVORUFHF-UHFFFAOYSA-N 1 3 373.585 3.463 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420903668 500526925 /nfs/dbraw/zinc/52/69/25/500526925.db2.gz OLZZLTIVORUFHF-UHFFFAOYSA-N 1 3 373.585 3.463 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000420982517 500547592 /nfs/dbraw/zinc/54/75/92/500547592.db2.gz PAUBNNHYQGPMMB-UHFFFAOYSA-N 1 3 368.525 3.334 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000420982517 500547599 /nfs/dbraw/zinc/54/75/99/500547599.db2.gz PAUBNNHYQGPMMB-UHFFFAOYSA-N 1 3 368.525 3.334 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc4cccnc43)CC2)CC1 ZINC000420981702 500547940 /nfs/dbraw/zinc/54/79/40/500547940.db2.gz NMTLBBZAICTHQT-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cccc4cccnc43)CC2)CC1 ZINC000420981702 500547942 /nfs/dbraw/zinc/54/79/42/500547942.db2.gz NMTLBBZAICTHQT-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CNCc2ccccc21 ZINC000582400541 506202542 /nfs/dbraw/zinc/20/25/42/506202542.db2.gz CDVMDZDWWHEVQZ-HXUWFJFHSA-N 1 3 355.526 3.178 20 0 FGADHO CN(CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000432813925 500566664 /nfs/dbraw/zinc/56/66/64/500566664.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 1 3 369.553 3.420 20 0 FGADHO CN(CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000432813925 500566665 /nfs/dbraw/zinc/56/66/65/500566665.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065399 500672136 /nfs/dbraw/zinc/67/21/36/500672136.db2.gz ZTCAESYMLNGOLY-OKZBNKHCSA-N 1 3 353.510 3.466 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443065402 500672546 /nfs/dbraw/zinc/67/25/46/500672546.db2.gz ZTCAESYMLNGOLY-RCCFBDPRSA-N 1 3 353.510 3.466 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275575 500702912 /nfs/dbraw/zinc/70/29/12/500702912.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275575 500702915 /nfs/dbraw/zinc/70/29/15/500702915.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567999 500713626 /nfs/dbraw/zinc/71/36/26/500713626.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567999 500713631 /nfs/dbraw/zinc/71/36/31/500713631.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 1 3 364.578 3.061 20 0 FGADHO Cc1cc(C)cc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000433618056 500722014 /nfs/dbraw/zinc/72/20/14/500722014.db2.gz QINYZGRQBFYHBP-UHFFFAOYSA-N 1 3 372.557 3.003 20 0 FGADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000570718185 506215092 /nfs/dbraw/zinc/21/50/92/506215092.db2.gz RYXDTBBGYXXCNK-NRFANRHFSA-N 1 3 369.553 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000438909487 500833897 /nfs/dbraw/zinc/83/38/97/500833897.db2.gz DESFMTGRTNOXPC-SQNIBIBYSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000438909487 500833899 /nfs/dbraw/zinc/83/38/99/500833899.db2.gz DESFMTGRTNOXPC-SQNIBIBYSA-N 1 3 363.571 3.035 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@@H]4CCC[C@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146045 500863744 /nfs/dbraw/zinc/86/37/44/500863744.db2.gz LADUXSVXIHBRPZ-OXJNMPFZSA-N 1 3 359.562 3.320 20 0 FGADHO CC(C)[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070440 500916970 /nfs/dbraw/zinc/91/69/70/500916970.db2.gz KFCMFEOYUKDDBR-REWPJTCUSA-N 1 3 373.585 3.028 20 0 FGADHO C[C@H](CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080921 500919174 /nfs/dbraw/zinc/91/91/74/500919174.db2.gz AHCRFIXMHROQHN-KZNAEPCWSA-N 1 3 366.571 3.151 20 0 FGADHO CCCC[NH+]1CCC(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449097866 500924992 /nfs/dbraw/zinc/92/49/92/500924992.db2.gz GEEXNLXPMCCDER-INIZCTEOSA-N 1 3 352.544 3.048 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000439778974 500936852 /nfs/dbraw/zinc/93/68/52/500936852.db2.gz GEEZMNTUPIHSOU-JOCHJYFZSA-N 1 3 357.542 3.220 20 0 FGADHO COc1cccc2c(CNC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cccc12 ZINC000449193347 500945215 /nfs/dbraw/zinc/94/52/15/500945215.db2.gz SDBWWGCHWSPJMQ-LEWJYISDSA-N 1 3 354.494 3.316 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387571 500965715 /nfs/dbraw/zinc/96/57/15/500965715.db2.gz ASMRHJVRWALUKB-CWRNSKLLSA-N 1 3 350.388 3.060 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388656 500966096 /nfs/dbraw/zinc/96/60/96/500966096.db2.gz IHNUVQOLCZVWPS-JRGCBEDISA-N 1 3 359.477 3.103 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000607689581 506227686 /nfs/dbraw/zinc/22/76/86/506227686.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000607689581 506227694 /nfs/dbraw/zinc/22/76/94/506227694.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562893 500992670 /nfs/dbraw/zinc/99/26/70/500992670.db2.gz JTYXHTORWCAZIB-JFIYKMOQSA-N 1 3 361.555 3.092 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2scnc2C)CC1 ZINC000449470565 501011105 /nfs/dbraw/zinc/01/11/05/501011105.db2.gz XZQWXNAZTKNQJP-UHFFFAOYSA-N 1 3 358.555 3.316 20 0 FGADHO CN(c1ccccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C1CCN(C)CC1 ZINC000449507158 501020551 /nfs/dbraw/zinc/02/05/51/501020551.db2.gz LSZGDNQVHBVFQK-GMAHTHKFSA-N 1 3 371.569 3.104 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000440924603 501063905 /nfs/dbraw/zinc/06/39/05/501063905.db2.gz OHBGMQSRPKXDHD-IBGZPJMESA-N 1 3 364.578 3.064 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000440924603 501063907 /nfs/dbraw/zinc/06/39/07/501063907.db2.gz OHBGMQSRPKXDHD-IBGZPJMESA-N 1 3 364.578 3.064 20 0 FGADHO CC(C)N(Cc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395904 501111609 /nfs/dbraw/zinc/11/16/09/501111609.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 1 3 354.510 3.008 20 0 FGADHO CC(C)N(Cc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395904 501111614 /nfs/dbraw/zinc/11/16/14/501111614.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 1 3 354.510 3.008 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141579 /nfs/dbraw/zinc/14/15/79/501141579.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 1 3 369.553 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141584 /nfs/dbraw/zinc/14/15/84/501141584.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 1 3 369.553 3.294 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839792 501171758 /nfs/dbraw/zinc/17/17/58/501171758.db2.gz CDJRJALLFWJMQO-SFHVURJKSA-N 1 3 358.448 3.413 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000441948693 501187364 /nfs/dbraw/zinc/18/73/64/501187364.db2.gz MLNBLULDTHLHJK-UHFFFAOYSA-N 1 3 357.542 3.135 20 0 FGADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000447096937 501204152 /nfs/dbraw/zinc/20/41/52/501204152.db2.gz KBAQWGKJEJBWSX-FQEVSTJZSA-N 1 3 350.478 3.109 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000450878766 501223223 /nfs/dbraw/zinc/22/32/23/501223223.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000450878766 501223225 /nfs/dbraw/zinc/22/32/25/501223225.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878766 501223227 /nfs/dbraw/zinc/22/32/27/501223227.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878766 501223228 /nfs/dbraw/zinc/22/32/28/501223228.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 1 3 364.603 3.468 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239414 /nfs/dbraw/zinc/23/94/14/501239414.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 1 3 358.530 3.009 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239415 /nfs/dbraw/zinc/23/94/15/501239415.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 1 3 358.530 3.009 20 0 FGADHO CCn1ccnc1[C@@H](C)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000453088273 501266429 /nfs/dbraw/zinc/26/64/29/501266429.db2.gz WKTIQYHNNOZIID-LJQANCHMSA-N 1 3 355.530 3.156 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453130791 501275355 /nfs/dbraw/zinc/27/53/55/501275355.db2.gz SVGFMZXBSGKMNE-KRWDZBQOSA-N 1 3 367.331 3.263 20 0 FGADHO CCc1ccccc1CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312812 /nfs/dbraw/zinc/31/28/12/501312812.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 1 3 357.542 3.015 20 0 FGADHO CCc1ccccc1CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312815 /nfs/dbraw/zinc/31/28/15/501312815.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 1 3 357.542 3.015 20 0 FGADHO CNC(=O)C[C@@H](C)N[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386336 501323631 /nfs/dbraw/zinc/32/36/31/501323631.db2.gz VECIOQNBZRTFAU-XLIONFOSSA-N 1 3 363.521 3.493 20 0 FGADHO Cn1cc(CN2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592707 501356264 /nfs/dbraw/zinc/35/62/64/501356264.db2.gz AZTABZRODFXICQ-JOCHJYFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cc1cc(NC(=O)c2ccc(CN(C)C)cc2)ccc1OCC[NH+](C)C ZINC000458193616 501388986 /nfs/dbraw/zinc/38/89/86/501388986.db2.gz JETITKOCPPGSPJ-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N(C)C)cc1 ZINC000611671315 506250583 /nfs/dbraw/zinc/25/05/83/506250583.db2.gz UWGLMAYPNHDYHO-HXUWFJFHSA-N 1 3 362.562 3.081 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675185 506250663 /nfs/dbraw/zinc/25/06/63/506250663.db2.gz QUXOAKUJYJFQTL-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CN1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)C1 ZINC000455864517 501402388 /nfs/dbraw/zinc/40/23/88/501402388.db2.gz SYYXJAJUFQVAGU-TZIWHRDSSA-N 1 3 356.514 3.185 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000458481502 501454653 /nfs/dbraw/zinc/45/46/53/501454653.db2.gz DADXPDMJFQDFKR-ICSRJNTNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1CN(c2ccccc2CN2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000459291145 501625743 /nfs/dbraw/zinc/62/57/43/501625743.db2.gz CHJBOXYYRADXGD-IBGZPJMESA-N 1 3 357.542 3.220 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788495 501629713 /nfs/dbraw/zinc/62/97/13/501629713.db2.gz BCBJHIGGCRQWDQ-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CCOc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1O ZINC000459397423 501646759 /nfs/dbraw/zinc/64/67/59/501646759.db2.gz DMJCXCJKGCDYJA-FQEVSTJZSA-N 1 3 354.494 3.445 20 0 FGADHO Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459425199 501652104 /nfs/dbraw/zinc/65/21/04/501652104.db2.gz BBBLASVYUDAWIZ-INIZCTEOSA-N 1 3 358.436 3.197 20 0 FGADHO C[C@H](NC1(C[NH2+]C2CCN(C3CC3)CC2)CCOCC1)c1ccccc1 ZINC000459445627 501654967 /nfs/dbraw/zinc/65/49/67/501654967.db2.gz NDTXTFWWEDFQJY-SFHVURJKSA-N 1 3 357.542 3.103 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000459449521 501656095 /nfs/dbraw/zinc/65/60/95/501656095.db2.gz ZIVUFYZOIXOWLT-HXUWFJFHSA-N 1 3 350.466 3.138 20 0 FGADHO C[N@H+](CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663872 /nfs/dbraw/zinc/66/38/72/501663872.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO C[N@@H+](CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663873 /nfs/dbraw/zinc/66/38/73/501663873.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603050 501739997 /nfs/dbraw/zinc/73/99/97/501739997.db2.gz SAZSSKJTXLBWRD-IAGOWNOFSA-N 1 3 371.447 3.299 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603050 501740001 /nfs/dbraw/zinc/74/00/01/501740001.db2.gz SAZSSKJTXLBWRD-IAGOWNOFSA-N 1 3 371.447 3.299 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311136 501741000 /nfs/dbraw/zinc/74/10/00/501741000.db2.gz KTHBUGKUGPGILF-FPOVZHCZSA-N 1 3 374.573 3.299 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736893 501787660 /nfs/dbraw/zinc/78/76/60/501787660.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470736893 501787666 /nfs/dbraw/zinc/78/76/66/501787666.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470742533 501789966 /nfs/dbraw/zinc/78/99/66/501789966.db2.gz CRTHWZCCRMFTNB-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460359937 501803590 /nfs/dbraw/zinc/80/35/90/501803590.db2.gz PKGNKWGRZQTJEO-JKBKZWBZSA-N 1 3 371.569 3.428 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373380 501807833 /nfs/dbraw/zinc/80/78/33/501807833.db2.gz DUXVVOJYNNTIDW-VXKWHMMOSA-N 1 3 365.521 3.113 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884691 501820054 /nfs/dbraw/zinc/82/00/54/501820054.db2.gz WZZNROWQWKNNRM-FUHWJXTLSA-N 1 3 364.534 3.128 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023065 501932294 /nfs/dbraw/zinc/93/22/94/501932294.db2.gz VDYGVJQGXCSUKE-QKNQBKEWSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468047113 501940159 /nfs/dbraw/zinc/94/01/59/501940159.db2.gz GKHZSEILUHPMFB-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468047113 501940162 /nfs/dbraw/zinc/94/01/62/501940162.db2.gz GKHZSEILUHPMFB-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038271 501954348 /nfs/dbraw/zinc/95/43/48/501954348.db2.gz YMOCIQRWXXABOT-KNQAVFIVSA-N 1 3 370.541 3.141 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038271 501954355 /nfs/dbraw/zinc/95/43/55/501954355.db2.gz YMOCIQRWXXABOT-KNQAVFIVSA-N 1 3 370.541 3.141 20 0 FGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482130270 501983255 /nfs/dbraw/zinc/98/32/55/501983255.db2.gz UVFYRVIFWWEDSZ-VGSWGCGISA-N 1 3 368.500 3.256 20 0 FGADHO C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018418 502022405 /nfs/dbraw/zinc/02/24/05/502022405.db2.gz UWNQRBIHSNGEHP-BVYCBKJFSA-N 1 3 365.521 3.284 20 0 FGADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475018679 502023043 /nfs/dbraw/zinc/02/30/43/502023043.db2.gz RZBNMILXEVHMIG-IBGZPJMESA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037618 502030879 /nfs/dbraw/zinc/03/08/79/502030879.db2.gz FSROFTIZVCCJCZ-BVYCBKJFSA-N 1 3 365.521 3.284 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136782 502075561 /nfs/dbraw/zinc/07/55/61/502075561.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136782 502075566 /nfs/dbraw/zinc/07/55/66/502075566.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO CC(=O)N[C@@H](C)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000482505829 502092356 /nfs/dbraw/zinc/09/23/56/502092356.db2.gz OKLNGSIQFUJWCM-SFHVURJKSA-N 1 3 359.558 3.381 20 0 FGADHO CC(=O)N[C@@H](C)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482505829 502092361 /nfs/dbraw/zinc/09/23/61/502092361.db2.gz OKLNGSIQFUJWCM-SFHVURJKSA-N 1 3 359.558 3.381 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000464778191 502092638 /nfs/dbraw/zinc/09/26/38/502092638.db2.gz RRTITAWTJCUXPX-WFXMLNOXSA-N 1 3 359.558 3.367 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825200 502107695 /nfs/dbraw/zinc/10/76/95/502107695.db2.gz CFMWQLVOADXIJN-TZIWHRDSSA-N 1 3 374.573 3.347 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825200 502107699 /nfs/dbraw/zinc/10/76/99/502107699.db2.gz CFMWQLVOADXIJN-TZIWHRDSSA-N 1 3 374.573 3.347 20 0 FGADHO CC[C@H](C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501511 502132335 /nfs/dbraw/zinc/13/23/35/502132335.db2.gz BQDTUMDPFBYIFU-VQTJNVASSA-N 1 3 361.530 3.069 20 0 FGADHO CC[C@@H](C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501509 502132412 /nfs/dbraw/zinc/13/24/12/502132412.db2.gz BQDTUMDPFBYIFU-PMACEKPBSA-N 1 3 361.530 3.069 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871588 502132440 /nfs/dbraw/zinc/13/24/40/502132440.db2.gz HOWKIUUXGYFRCP-JKSUJKDBSA-N 1 3 365.949 3.364 20 0 FGADHO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142796 /nfs/dbraw/zinc/14/27/96/502142796.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 1 3 352.526 3.109 20 0 FGADHO CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142797 /nfs/dbraw/zinc/14/27/97/502142797.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 1 3 352.526 3.109 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221500 502219085 /nfs/dbraw/zinc/21/90/85/502219085.db2.gz PWRDVOYMIUGVBC-TZIWHRDSSA-N 1 3 374.573 3.129 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221500 502219090 /nfs/dbraw/zinc/21/90/90/502219090.db2.gz PWRDVOYMIUGVBC-TZIWHRDSSA-N 1 3 374.573 3.129 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269254 /nfs/dbraw/zinc/26/92/54/502269254.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 1 3 373.585 3.235 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CCCCC1 ZINC000465542215 502299964 /nfs/dbraw/zinc/29/99/64/502299964.db2.gz LDXRVKNGWYTEOE-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CCCCC1 ZINC000465542215 502299969 /nfs/dbraw/zinc/29/99/69/502299969.db2.gz LDXRVKNGWYTEOE-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154893 502316902 /nfs/dbraw/zinc/31/69/02/502316902.db2.gz IYKHQLAQTMXQFV-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154893 502316905 /nfs/dbraw/zinc/31/69/05/502316905.db2.gz IYKHQLAQTMXQFV-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465758088 502374056 /nfs/dbraw/zinc/37/40/56/502374056.db2.gz PDUIBSBLLFKXDL-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465758088 502374061 /nfs/dbraw/zinc/37/40/61/502374061.db2.gz PDUIBSBLLFKXDL-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C(C)C ZINC000465848655 502402948 /nfs/dbraw/zinc/40/29/48/502402948.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000465848655 502402949 /nfs/dbraw/zinc/40/29/49/502402949.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526649 502422216 /nfs/dbraw/zinc/42/22/16/502422216.db2.gz SGZUUMKSBZDMEK-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526649 502422222 /nfs/dbraw/zinc/42/22/22/502422222.db2.gz SGZUUMKSBZDMEK-GHTZIAJQSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558508 502431503 /nfs/dbraw/zinc/43/15/03/502431503.db2.gz JIGPKKFTJBXAHI-PCCBWWKXSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558508 502431507 /nfs/dbraw/zinc/43/15/07/502431507.db2.gz JIGPKKFTJBXAHI-PCCBWWKXSA-N 1 3 357.542 3.086 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561601 502432007 /nfs/dbraw/zinc/43/20/07/502432007.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 1 3 369.553 3.374 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561601 502432010 /nfs/dbraw/zinc/43/20/10/502432010.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 1 3 369.553 3.374 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953363 502438876 /nfs/dbraw/zinc/43/88/76/502438876.db2.gz ADUGBGYKXUIIEX-CTNGQTDRSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953363 502438883 /nfs/dbraw/zinc/43/88/83/502438883.db2.gz ADUGBGYKXUIIEX-CTNGQTDRSA-N 1 3 374.573 3.156 20 0 FGADHO CC[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000465991236 502448034 /nfs/dbraw/zinc/44/80/34/502448034.db2.gz ZJJFNKAYPFOUPZ-CEXWTWQISA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000465991236 502448038 /nfs/dbraw/zinc/44/80/38/502448038.db2.gz ZJJFNKAYPFOUPZ-CEXWTWQISA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000588711549 506316390 /nfs/dbraw/zinc/31/63/90/506316390.db2.gz QCPXWYDWOGUDOJ-NHCUHLMSSA-N 1 3 374.569 3.457 20 0 FGADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000476487020 502502945 /nfs/dbraw/zinc/50/29/45/502502945.db2.gz JYKIKMRMYBPFSI-NRFANRHFSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N1CCCCC1 ZINC000469757310 502533545 /nfs/dbraw/zinc/53/35/45/502533545.db2.gz LXOUHVRBSQRTTK-NGRWLJPCSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCC(=O)N1CCCCC1 ZINC000469757310 502533547 /nfs/dbraw/zinc/53/35/47/502533547.db2.gz LXOUHVRBSQRTTK-NGRWLJPCSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134139 502579257 /nfs/dbraw/zinc/57/92/57/502579257.db2.gz JUFDAPLKRHKSLA-OLZOCXBDSA-N 1 3 361.313 3.196 20 0 FGADHO O[C@H]1CCN(Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876225 502609545 /nfs/dbraw/zinc/60/95/45/502609545.db2.gz VROQZNWQIIHCFH-QHCPKHFHSA-N 1 3 365.521 3.330 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501992 502613097 /nfs/dbraw/zinc/61/30/97/502613097.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501992 502613102 /nfs/dbraw/zinc/61/31/02/502613102.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 1 3 369.553 3.374 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000484365745 502633446 /nfs/dbraw/zinc/63/34/46/502633446.db2.gz HDWJJXOBELOMTM-NVXWUHKLSA-N 1 3 364.534 3.271 20 0 FGADHO COC1(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CCCC1 ZINC000480664913 502635981 /nfs/dbraw/zinc/63/59/81/502635981.db2.gz NPEJKRULVRGKNN-UHFFFAOYSA-N 1 3 359.558 3.446 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N(CC)CC ZINC000470083513 502654477 /nfs/dbraw/zinc/65/44/77/502654477.db2.gz VYEPUWBBOWIIBD-YLJYHZDGSA-N 1 3 361.530 3.466 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N(CC)CC ZINC000470083513 502654478 /nfs/dbraw/zinc/65/44/78/502654478.db2.gz VYEPUWBBOWIIBD-YLJYHZDGSA-N 1 3 361.530 3.466 20 0 FGADHO c1ccc(CC[NH+]2CCC(NCCNc3ccc4ccccc4n3)CC2)cc1 ZINC000463206950 502720713 /nfs/dbraw/zinc/72/07/13/502720713.db2.gz RHMWFYJNDZXBOA-UHFFFAOYSA-N 1 3 374.532 3.365 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000477397678 502763758 /nfs/dbraw/zinc/76/37/58/502763758.db2.gz XUELHJHPYCZBDW-IBGZPJMESA-N 1 3 374.573 3.270 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775807 /nfs/dbraw/zinc/77/58/07/502775807.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 1 3 357.542 3.375 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775812 /nfs/dbraw/zinc/77/58/12/502775812.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 1 3 357.542 3.375 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000474032388 502785054 /nfs/dbraw/zinc/78/50/54/502785054.db2.gz IXMQZBZVTVQMBA-ILWGZMRPSA-N 1 3 360.542 3.354 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000501024921 502915187 /nfs/dbraw/zinc/91/51/87/502915187.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000501024921 502915192 /nfs/dbraw/zinc/91/51/92/502915192.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO C[N@H+](CCOCCOc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501039159 502919080 /nfs/dbraw/zinc/91/90/80/502919080.db2.gz LHOAXKGCDCUAAO-UHFFFAOYSA-N 1 3 369.509 3.325 20 0 FGADHO C[N@@H+](CCOCCOc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000501039159 502919084 /nfs/dbraw/zinc/91/90/84/502919084.db2.gz LHOAXKGCDCUAAO-UHFFFAOYSA-N 1 3 369.509 3.325 20 0 FGADHO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]2C ZINC000501051813 502923288 /nfs/dbraw/zinc/92/32/88/502923288.db2.gz LMOPCIDHVQPBTP-RTBURBONSA-N 1 3 359.558 3.419 20 0 FGADHO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]2C ZINC000501051813 502923290 /nfs/dbraw/zinc/92/32/90/502923290.db2.gz LMOPCIDHVQPBTP-RTBURBONSA-N 1 3 359.558 3.419 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccsc1 ZINC000501165833 502951870 /nfs/dbraw/zinc/95/18/70/502951870.db2.gz WEYHTUURCLHXLW-AEFFLSMTSA-N 1 3 366.575 3.305 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)Cc1ccccc1 ZINC000501195908 502957153 /nfs/dbraw/zinc/95/71/53/502957153.db2.gz DGTIGNFPCJFHKH-FPOVZHCZSA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489758589 503026813 /nfs/dbraw/zinc/02/68/13/503026813.db2.gz NXDDLONZOZASBP-RBUKOAKNSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000489785837 503034337 /nfs/dbraw/zinc/03/43/37/503034337.db2.gz ADFZVMHSGYEKJS-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810468 503040832 /nfs/dbraw/zinc/04/08/32/503040832.db2.gz XCVAUIKKKBPMIT-PMXSJFBMSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)C[C@@H](C)O1 ZINC000514094778 503085529 /nfs/dbraw/zinc/08/55/29/503085529.db2.gz OOWRTWJTXCJAGC-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)C[C@@H](C)O1 ZINC000514094778 503085533 /nfs/dbraw/zinc/08/55/33/503085533.db2.gz OOWRTWJTXCJAGC-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)C[C@@H](C)O1 ZINC000514094778 503085538 /nfs/dbraw/zinc/08/55/38/503085538.db2.gz OOWRTWJTXCJAGC-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000514133890 503095783 /nfs/dbraw/zinc/09/57/83/503095783.db2.gz DUTDSLFGRPKKTN-TZIWHRDSSA-N 1 3 374.573 3.409 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000514133890 503095785 /nfs/dbraw/zinc/09/57/85/503095785.db2.gz DUTDSLFGRPKKTN-TZIWHRDSSA-N 1 3 374.573 3.409 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000514546980 503136787 /nfs/dbraw/zinc/13/67/87/503136787.db2.gz IBLQYVKYMKZQNS-UHFFFAOYSA-N 1 3 362.518 3.015 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135362 503149029 /nfs/dbraw/zinc/14/90/29/503149029.db2.gz DPWHCLHFBVDTAO-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000514725026 503177637 /nfs/dbraw/zinc/17/76/37/503177637.db2.gz LKMOHDPMQWCSBA-JTHBVZDNSA-N 1 3 363.505 3.031 20 0 FGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000502362651 503186877 /nfs/dbraw/zinc/18/68/77/503186877.db2.gz AMOKXAJLTKHUOM-UNMCSNQZSA-N 1 3 359.558 3.384 20 0 FGADHO Cc1cc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997234 503257798 /nfs/dbraw/zinc/25/77/98/503257798.db2.gz RVFJKMGIXCQIQB-OFNKIYASSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997234 503257802 /nfs/dbraw/zinc/25/78/02/503257802.db2.gz RVFJKMGIXCQIQB-OFNKIYASSA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997234 503257803 /nfs/dbraw/zinc/25/78/03/503257803.db2.gz RVFJKMGIXCQIQB-OFNKIYASSA-N 1 3 373.585 3.455 20 0 FGADHO CC(C)N1CCCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502835046 503284409 /nfs/dbraw/zinc/28/44/09/503284409.db2.gz YJNHJLAXJAAXNQ-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)c1 ZINC000507460294 503302819 /nfs/dbraw/zinc/30/28/19/503302819.db2.gz HVPKLELOOKWTQU-NHCUHLMSSA-N 1 3 359.558 3.302 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@@H]3C)cc2)CC1 ZINC000502914005 503306543 /nfs/dbraw/zinc/30/65/43/503306543.db2.gz YIBAWRZTAZMLHQ-IBGZPJMESA-N 1 3 372.557 3.154 20 0 FGADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000511584263 503348731 /nfs/dbraw/zinc/34/87/31/503348731.db2.gz CZNODFMPHLNSJJ-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677202 503367564 /nfs/dbraw/zinc/36/75/64/503367564.db2.gz HWARWAYOFKBGHD-UTKZUKDTSA-N 1 3 351.494 3.314 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000511920762 503416854 /nfs/dbraw/zinc/41/68/54/503416854.db2.gz RTYGDSYPLHMTFF-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000499660089 503451543 /nfs/dbraw/zinc/45/15/43/503451543.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000499660089 503451549 /nfs/dbraw/zinc/45/15/49/503451549.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 1 3 357.542 3.374 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000493911669 503456695 /nfs/dbraw/zinc/45/66/95/503456695.db2.gz HTIAVMXOZIBMKO-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000493911669 503456700 /nfs/dbraw/zinc/45/67/00/503456700.db2.gz HTIAVMXOZIBMKO-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000494068575 503483200 /nfs/dbraw/zinc/48/32/00/503483200.db2.gz IPQMOTRXIDFPPZ-ICSRJNTNSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000516559058 503536103 /nfs/dbraw/zinc/53/61/03/503536103.db2.gz RLCPMDLDMXRPQX-SLYNCCJLSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000516560584 503536745 /nfs/dbraw/zinc/53/67/45/503536745.db2.gz TXZHOMCPMNZCJH-LAUBAEHRSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)N3CCCCCC3)c2)CC1 ZINC000504198950 503537622 /nfs/dbraw/zinc/53/76/22/503537622.db2.gz GQTMKSSJCIWMAY-LJQANCHMSA-N 1 3 372.557 3.420 20 0 FGADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3[C@H](C)CC[C@H]3C)c2)CC1 ZINC000504207399 503538416 /nfs/dbraw/zinc/53/84/16/503538416.db2.gz IKDKIRJGOBXUHC-QZTJIDSGSA-N 1 3 358.530 3.028 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416602 503543829 /nfs/dbraw/zinc/54/38/29/503543829.db2.gz ANHZPRKFLAZTNC-FPOVZHCZSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416602 503543830 /nfs/dbraw/zinc/54/38/30/503543830.db2.gz ANHZPRKFLAZTNC-FPOVZHCZSA-N 1 3 374.573 3.269 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000500101654 503553711 /nfs/dbraw/zinc/55/37/11/503553711.db2.gz ISAVRRKOYZSWIL-UHFFFAOYSA-N 1 3 367.493 3.475 20 0 FGADHO COc1ccc([C@@H]([NH2+]CCCCN2CCN(C)CC2)C(C)C)c(F)c1 ZINC000516642033 503558469 /nfs/dbraw/zinc/55/84/69/503558469.db2.gz HILQILGFIQRAMQ-FQEVSTJZSA-N 1 3 351.510 3.149 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000500130015 503561203 /nfs/dbraw/zinc/56/12/03/503561203.db2.gz BTKJDEUMQJCOON-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO Fc1cncc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000494558794 503564102 /nfs/dbraw/zinc/56/41/02/503564102.db2.gz GWFPYSPILCDSQP-UHFFFAOYSA-N 1 3 357.473 3.382 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C ZINC000508842185 503574722 /nfs/dbraw/zinc/57/47/22/503574722.db2.gz BLCRKSJWDAHLIT-MJGOQNOKSA-N 1 3 360.546 3.112 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508852707 503578364 /nfs/dbraw/zinc/57/83/64/503578364.db2.gz NDJWLKYKWXFTFO-HFSMHLIXSA-N 1 3 372.557 3.051 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508852707 503578367 /nfs/dbraw/zinc/57/83/67/503578367.db2.gz NDJWLKYKWXFTFO-HFSMHLIXSA-N 1 3 372.557 3.051 20 0 FGADHO Cc1nc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)c(C)o1 ZINC000500231809 503584136 /nfs/dbraw/zinc/58/41/36/503584136.db2.gz UROHTDOVRVQAIR-UHFFFAOYSA-N 1 3 356.514 3.154 20 0 FGADHO Cc1nc(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000500231809 503584138 /nfs/dbraw/zinc/58/41/38/503584138.db2.gz UROHTDOVRVQAIR-UHFFFAOYSA-N 1 3 356.514 3.154 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N(C)C ZINC000508894670 503592027 /nfs/dbraw/zinc/59/20/27/503592027.db2.gz GDJMRAMEFDCTHL-DYXWJJEUSA-N 1 3 372.557 3.256 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000508894023 503592404 /nfs/dbraw/zinc/59/24/04/503592404.db2.gz JYNITIOQJZIKCQ-QUCCMNQESA-N 1 3 362.562 3.438 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508896891 503592967 /nfs/dbraw/zinc/59/29/67/503592967.db2.gz MXHJLNZTQSYYCW-QWFCFKBJSA-N 1 3 360.546 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000508899877 503594861 /nfs/dbraw/zinc/59/48/61/503594861.db2.gz WIDLRQIFHLUZKW-WFXMLNOXSA-N 1 3 374.573 3.358 20 0 FGADHO C[C@@H](CCNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+]1CCCCC1 ZINC000543293795 503713893 /nfs/dbraw/zinc/71/38/93/503713893.db2.gz VHVUMAGRTBIOAQ-KRWDZBQOSA-N 1 3 362.518 3.013 20 0 FGADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221324 503716088 /nfs/dbraw/zinc/71/60/88/503716088.db2.gz DWLBJASSHKBWKK-UNEWFSDZSA-N 1 3 369.431 3.131 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299871 503716506 /nfs/dbraw/zinc/71/65/06/503716506.db2.gz FBGQNBITVBAZAK-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO COCC[N@H+](C)CCCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000540260312 503726981 /nfs/dbraw/zinc/72/69/81/503726981.db2.gz ACIZWFSULVWQBL-KRWDZBQOSA-N 1 3 355.320 3.458 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000540260312 503726984 /nfs/dbraw/zinc/72/69/84/503726984.db2.gz ACIZWFSULVWQBL-KRWDZBQOSA-N 1 3 355.320 3.458 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCCS2 ZINC000527348796 503773932 /nfs/dbraw/zinc/77/39/32/503773932.db2.gz XMXWXGJOFYOJGZ-LJQANCHMSA-N 1 3 363.571 3.239 20 0 FGADHO C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000543458986 503780426 /nfs/dbraw/zinc/78/04/26/503780426.db2.gz MOXOAXSVILINGN-IRXDYDNUSA-N 1 3 356.514 3.375 20 0 FGADHO C[C@H](NCCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458986 503780430 /nfs/dbraw/zinc/78/04/30/503780430.db2.gz MOXOAXSVILINGN-IRXDYDNUSA-N 1 3 356.514 3.375 20 0 FGADHO C[C@H](NCCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458986 503780433 /nfs/dbraw/zinc/78/04/33/503780433.db2.gz MOXOAXSVILINGN-IRXDYDNUSA-N 1 3 356.514 3.375 20 0 FGADHO CN1CC=C(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000540645220 503843075 /nfs/dbraw/zinc/84/30/75/503843075.db2.gz IHZJDYXHCORWLK-UHFFFAOYSA-N 1 3 350.388 3.243 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546722163 503851729 /nfs/dbraw/zinc/85/17/29/503851729.db2.gz QGPHTXVAYYKBSY-UHFFFAOYSA-N 1 3 351.560 3.293 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546722163 503851737 /nfs/dbraw/zinc/85/17/37/503851737.db2.gz QGPHTXVAYYKBSY-UHFFFAOYSA-N 1 3 351.560 3.293 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3ccsc3C(F)(F)F)CC2)CC1 ZINC000527650196 503875267 /nfs/dbraw/zinc/87/52/67/503875267.db2.gz OCGCVADKJRNOGC-UHFFFAOYSA-N 1 3 361.477 3.415 20 0 FGADHO Cc1cc2oc(=O)cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2cc1C ZINC000530239465 503889930 /nfs/dbraw/zinc/88/99/30/503889930.db2.gz FXIOZGPRPTWAPU-LJQANCHMSA-N 1 3 370.493 3.000 20 0 FGADHO FC(F)(F)COc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242755 503890834 /nfs/dbraw/zinc/89/08/34/503890834.db2.gz UYAKWJWBUXMAIJ-QGZVFWFLSA-N 1 3 372.431 3.218 20 0 FGADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676594 503891332 /nfs/dbraw/zinc/89/13/32/503891332.db2.gz UEDMCNSWCCIYLI-MSOLQXFVSA-N 1 3 372.431 3.181 20 0 FGADHO COc1cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698770 503900803 /nfs/dbraw/zinc/90/08/03/503900803.db2.gz DGNRKCLKMOWIAY-AWEZNQCLSA-N 1 3 360.420 3.305 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336529 503930178 /nfs/dbraw/zinc/93/01/78/503930178.db2.gz CVSFWOKMVFJKPB-RHSMWYFYSA-N 1 3 368.905 3.295 20 0 FGADHO Clc1ccc(-c2noc(CCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349054 503959329 /nfs/dbraw/zinc/95/93/29/503959329.db2.gz PAXRYJNWZJEAKQ-NVXWUHKLSA-N 1 3 360.889 3.397 20 0 FGADHO COC(=O)COc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000544006513 503969273 /nfs/dbraw/zinc/96/92/73/503969273.db2.gz LUKLPXOVHUKJCJ-UHFFFAOYSA-N 1 3 374.525 3.326 20 0 FGADHO CCCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620239 503978894 /nfs/dbraw/zinc/97/88/94/503978894.db2.gz SNQDTLVGQVMWCX-UGKGYDQZSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000537620239 503978897 /nfs/dbraw/zinc/97/88/97/503978897.db2.gz SNQDTLVGQVMWCX-UGKGYDQZSA-N 1 3 359.558 3.323 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023171 /nfs/dbraw/zinc/02/31/71/504023171.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023174 /nfs/dbraw/zinc/02/31/74/504023174.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 1 3 372.557 3.021 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000530642146 504036396 /nfs/dbraw/zinc/03/63/96/504036396.db2.gz UJZZNVGXFQXVGG-HOTGVXAUSA-N 1 3 372.340 3.049 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000534126982 504047535 /nfs/dbraw/zinc/04/75/35/504047535.db2.gz UBKZFBSNFYYJKD-QFIPXVFZSA-N 1 3 371.569 3.463 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784207 504062915 /nfs/dbraw/zinc/06/29/15/504062915.db2.gz URRHRNFUGUJJTF-UGKGYDQZSA-N 1 3 372.553 3.320 20 0 FGADHO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(OCCN(C)C)cc1 ZINC000537938961 504090524 /nfs/dbraw/zinc/09/05/24/504090524.db2.gz YJLDVIVOWRFCAO-INIZCTEOSA-N 1 3 354.498 3.188 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974171 504107587 /nfs/dbraw/zinc/10/75/87/504107587.db2.gz UQHWZDNPNMLOCL-OALUTQOASA-N 1 3 352.567 3.205 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156763 504153143 /nfs/dbraw/zinc/15/31/43/504153143.db2.gz LHHRGNKXGKYEDW-QIJUGHKUSA-N 1 3 369.553 3.135 20 0 FGADHO c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191067 /nfs/dbraw/zinc/19/10/67/504191067.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(CN2CCC[C@@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191071 /nfs/dbraw/zinc/19/10/71/504191071.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 1 3 358.526 3.170 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737334 504204637 /nfs/dbraw/zinc/20/46/37/504204637.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737334 504204644 /nfs/dbraw/zinc/20/46/44/504204644.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 1 3 357.542 3.278 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000531246350 504241555 /nfs/dbraw/zinc/24/15/55/504241555.db2.gz QBXPCVGZZPYFAB-MOPGFXCFSA-N 1 3 360.546 3.023 20 0 FGADHO CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544818062 504268976 /nfs/dbraw/zinc/26/89/76/504268976.db2.gz ZMFDRVCUTMLBEF-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1cc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc(C)c1F ZINC000538545652 504279935 /nfs/dbraw/zinc/27/99/35/504279935.db2.gz XQEYWZHSJDGPEE-WMZOPIPTSA-N 1 3 351.510 3.186 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528657043 504316949 /nfs/dbraw/zinc/31/69/49/504316949.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 1 3 357.542 3.134 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528657043 504316952 /nfs/dbraw/zinc/31/69/52/504316952.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 1 3 357.542 3.134 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000519974469 504392977 /nfs/dbraw/zinc/39/29/77/504392977.db2.gz BDLJDTXIYXTBSF-HXUWFJFHSA-N 1 3 374.573 3.414 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000520211176 504435737 /nfs/dbraw/zinc/43/57/37/504435737.db2.gz WRRJZYDYRYXDLJ-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000520211176 504435743 /nfs/dbraw/zinc/43/57/43/504435743.db2.gz WRRJZYDYRYXDLJ-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000531959496 504487869 /nfs/dbraw/zinc/48/78/69/504487869.db2.gz KDPRWGASKHELBX-KBPBESRZSA-N 1 3 374.392 3.435 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000528995546 504488062 /nfs/dbraw/zinc/48/80/62/504488062.db2.gz JCDCWRNMEOYKPU-VLCRHTCISA-N 1 3 369.553 3.301 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000528995546 504488066 /nfs/dbraw/zinc/48/80/66/504488066.db2.gz JCDCWRNMEOYKPU-VLCRHTCISA-N 1 3 369.553 3.301 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)Nc2ccccn2)CC1 ZINC000520503631 504515058 /nfs/dbraw/zinc/51/50/58/504515058.db2.gz LXLQTAJOBPSWIP-GOSISDBHSA-N 1 3 366.509 3.095 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccsc1 ZINC000520554636 504526569 /nfs/dbraw/zinc/52/65/69/504526569.db2.gz IUJDTDHEPFQIFC-GOSISDBHSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccsc1 ZINC000520554636 504526572 /nfs/dbraw/zinc/52/65/72/504526572.db2.gz IUJDTDHEPFQIFC-GOSISDBHSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542758362 504597883 /nfs/dbraw/zinc/59/78/83/504597883.db2.gz ARLUIDINUROGPE-YQVWRLOYSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758362 504597889 /nfs/dbraw/zinc/59/78/89/504597889.db2.gz ARLUIDINUROGPE-YQVWRLOYSA-N 1 3 364.578 3.011 20 0 FGADHO CCn1nccc1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549063913 504672707 /nfs/dbraw/zinc/67/27/07/504672707.db2.gz QPFVRNQFZKIFTH-UHFFFAOYSA-N 1 3 352.526 3.434 20 0 FGADHO CCn1nccc1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549063913 504672713 /nfs/dbraw/zinc/67/27/13/504672713.db2.gz QPFVRNQFZKIFTH-UHFFFAOYSA-N 1 3 352.526 3.434 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCc2ccccc21 ZINC000521193841 504675191 /nfs/dbraw/zinc/67/51/91/504675191.db2.gz VDDRJYVHWZNNBL-NRFANRHFSA-N 1 3 355.526 3.129 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1sccc1Br ZINC000532549365 504689371 /nfs/dbraw/zinc/68/93/71/504689371.db2.gz XLHSUDHTVKDEAT-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO CCc1oc2ccccc2c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000539825212 504706199 /nfs/dbraw/zinc/70/61/99/504706199.db2.gz NTPRGUSKPRLQCB-YLJYHZDGSA-N 1 3 355.526 3.453 20 0 FGADHO CCc1oc2ccccc2c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000539825210 504706376 /nfs/dbraw/zinc/70/63/76/504706376.db2.gz NTPRGUSKPRLQCB-XLIONFOSSA-N 1 3 355.526 3.453 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000543066643 504709972 /nfs/dbraw/zinc/70/99/72/504709972.db2.gz IUXJXPLAHBQEKW-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000543066643 504709975 /nfs/dbraw/zinc/70/99/75/504709975.db2.gz IUXJXPLAHBQEKW-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486021 504746122 /nfs/dbraw/zinc/74/61/22/504746122.db2.gz HHJHZWGTKBFCRJ-TZIWHRDSSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486021 504746124 /nfs/dbraw/zinc/74/61/24/504746124.db2.gz HHJHZWGTKBFCRJ-TZIWHRDSSA-N 1 3 357.542 3.135 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116548 504785548 /nfs/dbraw/zinc/78/55/48/504785548.db2.gz WQAKKSHCFKTKKY-XLIONFOSSA-N 1 3 370.493 3.008 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000565072079 504787119 /nfs/dbraw/zinc/78/71/19/504787119.db2.gz ZGFZZAYRZVNCSC-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO CCc1oc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1C(=O)OC ZINC000549367085 504802093 /nfs/dbraw/zinc/80/20/93/504802093.db2.gz XGTSVQWFPHFVIB-UHFFFAOYSA-N 1 3 357.454 3.030 20 0 FGADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000559256181 504810268 /nfs/dbraw/zinc/81/02/68/504810268.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 1 3 369.553 3.233 20 0 FGADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000559256181 504810271 /nfs/dbraw/zinc/81/02/71/504810271.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 1 3 369.553 3.233 20 0 FGADHO Cn1c2ccccc2cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811289 /nfs/dbraw/zinc/81/12/89/504811289.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 1 3 373.500 3.102 20 0 FGADHO Cn1c2ccccc2cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811291 /nfs/dbraw/zinc/81/12/91/504811291.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 1 3 373.500 3.102 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000559260737 504811410 /nfs/dbraw/zinc/81/14/10/504811410.db2.gz APMAIRCJLTYXPB-GHTZIAJQSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000559260737 504811413 /nfs/dbraw/zinc/81/14/13/504811413.db2.gz APMAIRCJLTYXPB-GHTZIAJQSA-N 1 3 373.541 3.213 20 0 FGADHO Cc1nocc1CNCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000559294012 504822961 /nfs/dbraw/zinc/82/29/61/504822961.db2.gz ABRNNPXOELHNMB-IRXDYDNUSA-N 1 3 357.498 3.282 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227211 504830766 /nfs/dbraw/zinc/83/07/66/504830766.db2.gz WIUCXXUPBOKLBI-AEFFLSMTSA-N 1 3 366.347 3.273 20 0 FGADHO O=C(CN1CC[C@@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410796 504855994 /nfs/dbraw/zinc/85/59/94/504855994.db2.gz IMHZBVNDODHGCL-NRFANRHFSA-N 1 3 355.526 3.021 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562750316 504932208 /nfs/dbraw/zinc/93/22/08/504932208.db2.gz GNTIUXVSYOCFAR-RTWAWAEBSA-N 1 3 372.488 3.038 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000562751393 504933451 /nfs/dbraw/zinc/93/34/51/504933451.db2.gz QTTOMGDFEZTUGJ-FPOVZHCZSA-N 1 3 354.498 3.103 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750853 504933485 /nfs/dbraw/zinc/93/34/85/504933485.db2.gz XJVAFEFMKHQJCJ-KRWDZBQOSA-N 1 3 353.495 3.302 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750853 504933488 /nfs/dbraw/zinc/93/34/88/504933488.db2.gz XJVAFEFMKHQJCJ-KRWDZBQOSA-N 1 3 353.495 3.302 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553510652 504935804 /nfs/dbraw/zinc/93/58/04/504935804.db2.gz GOEZDKJTDYYLDT-QFUCXCTJSA-N 1 3 373.516 3.123 20 0 FGADHO CC[C@@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000565804422 504992350 /nfs/dbraw/zinc/99/23/50/504992350.db2.gz UNHAGJJCXDCKJA-SFHVURJKSA-N 1 3 361.921 3.212 20 0 FGADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939787 504994807 /nfs/dbraw/zinc/99/48/07/504994807.db2.gz WFNMNRHTTPEQFK-OHLDOZIISA-N 1 3 369.553 3.168 20 0 FGADHO FC(F)Oc1cc2c(cc1CNCCCCC[NH+]1CCCC1)OCO2 ZINC000550263071 505005792 /nfs/dbraw/zinc/00/57/92/505005792.db2.gz VQKWOAFNMXAHGW-UHFFFAOYSA-N 1 3 356.413 3.372 20 0 FGADHO COC1([C@@H](C)NCc2cncc(C[NH2+][C@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232843 505082491 /nfs/dbraw/zinc/08/24/91/505082491.db2.gz DGEGMOWYOWDAJR-IAGOWNOFSA-N 1 3 361.530 3.176 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199784 505091682 /nfs/dbraw/zinc/09/16/82/505091682.db2.gz IEKIIXJTGRRTOU-SFHVURJKSA-N 1 3 366.937 3.022 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000557224077 505095966 /nfs/dbraw/zinc/09/59/66/505095966.db2.gz ZNVSVGRVHYKUFI-MAODMQOUSA-N 1 3 366.509 3.108 20 0 FGADHO O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528779 505116528 /nfs/dbraw/zinc/11/65/28/505116528.db2.gz KRZVHVRTFMGRMF-MHTWAQMVSA-N 1 3 360.567 3.135 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1 ZINC000563375880 505126121 /nfs/dbraw/zinc/12/61/21/505126121.db2.gz GSTJOOLSMYAUBL-KRWDZBQOSA-N 1 3 369.513 3.071 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1 ZINC000563375880 505126122 /nfs/dbraw/zinc/12/61/22/505126122.db2.gz GSTJOOLSMYAUBL-KRWDZBQOSA-N 1 3 369.513 3.071 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000566398463 505163958 /nfs/dbraw/zinc/16/39/58/505163958.db2.gz ZKHDNOWHWMKTDD-IAGOWNOFSA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000566398463 505163964 /nfs/dbraw/zinc/16/39/64/505163964.db2.gz ZKHDNOWHWMKTDD-IAGOWNOFSA-N 1 3 366.575 3.305 20 0 FGADHO CN(CCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccco1 ZINC000554450147 505176416 /nfs/dbraw/zinc/17/64/16/505176416.db2.gz TZAACEUYQLVFNM-HXUWFJFHSA-N 1 3 372.513 3.046 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4C[C@H]3C)CC2)CC1 ZINC000566445098 505178704 /nfs/dbraw/zinc/17/87/04/505178704.db2.gz NQAJKVKHPJJBRC-GOSISDBHSA-N 1 3 369.553 3.156 20 0 FGADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000554478588 505183061 /nfs/dbraw/zinc/18/30/61/505183061.db2.gz MGLKVFJSRQZGTA-MJGOQNOKSA-N 1 3 360.546 3.242 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000560833963 505198231 /nfs/dbraw/zinc/19/82/31/505198231.db2.gz PIGDAVAJKLTOME-JOCHJYFZSA-N 1 3 365.521 3.161 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560877853 505205516 /nfs/dbraw/zinc/20/55/16/505205516.db2.gz QVLBTXRCEVETPB-RRFJBIMHSA-N 1 3 365.484 3.132 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560877853 505205520 /nfs/dbraw/zinc/20/55/20/505205520.db2.gz QVLBTXRCEVETPB-RRFJBIMHSA-N 1 3 365.484 3.132 20 0 FGADHO CCOC1CC(N(C)Cc2cncc(C[N@H+](C)C3CC(OCC)C3)c2)C1 ZINC000566660143 505235848 /nfs/dbraw/zinc/23/58/48/505235848.db2.gz JYZBGJQOBMARBD-UHFFFAOYSA-N 1 3 361.530 3.080 20 0 FGADHO CCOC1CC(N(C)Cc2cncc(C[N@@H+](C)C3CC(OCC)C3)c2)C1 ZINC000566660143 505235852 /nfs/dbraw/zinc/23/58/52/505235852.db2.gz JYZBGJQOBMARBD-UHFFFAOYSA-N 1 3 361.530 3.080 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000561047840 505237576 /nfs/dbraw/zinc/23/75/76/505237576.db2.gz VQJQXJYYUJYTSA-FQEVSTJZSA-N 1 3 356.514 3.251 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000561047840 505237579 /nfs/dbraw/zinc/23/75/79/505237579.db2.gz VQJQXJYYUJYTSA-FQEVSTJZSA-N 1 3 356.514 3.251 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797105 505274849 /nfs/dbraw/zinc/27/48/49/505274849.db2.gz VUXPNEJCZMGGNO-SXLOBPIMSA-N 1 3 365.521 3.339 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000561193866 505277257 /nfs/dbraw/zinc/27/72/57/505277257.db2.gz PKHQRSDVAODAPR-RLLQIKCJSA-N 1 3 372.557 3.117 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554864811 505284790 /nfs/dbraw/zinc/28/47/90/505284790.db2.gz GLBGILBWCVFRRQ-WIYYLYMNSA-N 1 3 363.505 3.424 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699480 505285085 /nfs/dbraw/zinc/28/50/85/505285085.db2.gz DHQDCZYUZVAXPY-QFIPXVFZSA-N 1 3 359.558 3.082 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345377 505364882 /nfs/dbraw/zinc/36/48/82/505364882.db2.gz OANUCKJSDZQMJB-WDSOQIARSA-N 1 3 372.513 3.311 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)N(C)C)cc1 ZINC000558346838 505364989 /nfs/dbraw/zinc/36/49/89/505364989.db2.gz DDKWMWQZWLIKHA-UIFIKXQLSA-N 1 3 372.557 3.120 20 0 FGADHO COc1cc(OC)c(C[C@H](C)NC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000567120182 505368596 /nfs/dbraw/zinc/36/85/96/505368596.db2.gz BDSWLZZMEPNYMH-HNNXBMFYSA-N 1 3 362.514 3.107 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000558415963 505383092 /nfs/dbraw/zinc/38/30/92/505383092.db2.gz FSYVQRXQMQACKM-YPAWHYETSA-N 1 3 364.489 3.473 20 0 FGADHO Cc1ccc(OC(F)F)c(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000558418960 505383959 /nfs/dbraw/zinc/38/39/59/505383959.db2.gz MCMKUXTWWSNRJK-UHFFFAOYSA-N 1 3 355.473 3.054 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCc3ccccc3)CC2)CC1 ZINC000567247803 505407896 /nfs/dbraw/zinc/40/78/96/505407896.db2.gz RLGHBAZOPXAPBE-UHFFFAOYSA-N 1 3 371.569 3.274 20 0 FGADHO Cc1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1-c1ccccc1 ZINC000564434520 505419461 /nfs/dbraw/zinc/41/94/61/505419461.db2.gz YWKWRMMHJGIXEW-UHFFFAOYSA-N 1 3 369.513 3.014 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000564548673 505449895 /nfs/dbraw/zinc/44/98/95/505449895.db2.gz LZBQGTDFXMTWAA-HOJAQTOUSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@H]1C ZINC000567515842 505485402 /nfs/dbraw/zinc/48/54/02/505485402.db2.gz DISSCYYAJLERAC-LVFSCSRESA-N 1 3 363.933 3.022 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000562138646 505526933 /nfs/dbraw/zinc/52/69/33/505526933.db2.gz FFWMZPJBPZWXKP-GGPKGHCWSA-N 1 3 360.546 3.016 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000562138646 505526938 /nfs/dbraw/zinc/52/69/38/505526938.db2.gz FFWMZPJBPZWXKP-GGPKGHCWSA-N 1 3 360.546 3.016 20 0 FGADHO CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000564860560 505541903 /nfs/dbraw/zinc/54/19/03/505541903.db2.gz QGFMPDZFOIEKPW-FGZHOGPDSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860560 505541906 /nfs/dbraw/zinc/54/19/06/505541906.db2.gz QGFMPDZFOIEKPW-FGZHOGPDSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860560 505541912 /nfs/dbraw/zinc/54/19/12/505541912.db2.gz QGFMPDZFOIEKPW-FGZHOGPDSA-N 1 3 374.569 3.302 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)CN3CCc4ccccc4C3)ccc21 ZINC000567706550 505544339 /nfs/dbraw/zinc/54/43/39/505544339.db2.gz WBHUBIHCDFRIKX-FYYLOGMGSA-N 1 3 365.521 3.067 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000567713033 505546324 /nfs/dbraw/zinc/54/63/24/505546324.db2.gz BSGHNNRTGJWBTL-INIZCTEOSA-N 1 3 362.493 3.103 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000567713033 505546326 /nfs/dbraw/zinc/54/63/26/505546326.db2.gz BSGHNNRTGJWBTL-INIZCTEOSA-N 1 3 362.493 3.103 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000582719933 506384064 /nfs/dbraw/zinc/38/40/64/506384064.db2.gz JRTOVFBIWPENLN-IBGZPJMESA-N 1 3 358.555 3.044 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197650 506479250 /nfs/dbraw/zinc/47/92/50/506479250.db2.gz HYBQNCSIWOKXNA-INIZCTEOSA-N 1 3 350.890 3.290 20 0 FGADHO COc1cccc(CNCC2(SC)CC[NH+](C)CC2)c1OC(F)F ZINC000589325602 506518695 /nfs/dbraw/zinc/51/86/95/506518695.db2.gz TXVUJIRHYMMUBN-UHFFFAOYSA-N 1 3 360.470 3.214 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000608414573 506550087 /nfs/dbraw/zinc/55/00/87/506550087.db2.gz LKKJNKADIZTAAX-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1 ZINC000583132010 506609097 /nfs/dbraw/zinc/60/90/97/506609097.db2.gz BYVDXMWZGGQDGD-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645614 506646125 /nfs/dbraw/zinc/64/61/25/506646125.db2.gz QAKDVLUUKLHNTL-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608674014 506658846 /nfs/dbraw/zinc/65/88/46/506658846.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608674014 506658854 /nfs/dbraw/zinc/65/88/54/506658854.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673339 506659154 /nfs/dbraw/zinc/65/91/54/506659154.db2.gz OLSDHCQQXHGOAG-CTNGQTDRSA-N 1 3 372.557 3.040 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673339 506659160 /nfs/dbraw/zinc/65/91/60/506659160.db2.gz OLSDHCQQXHGOAG-CTNGQTDRSA-N 1 3 372.557 3.040 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673415 506659373 /nfs/dbraw/zinc/65/93/73/506659373.db2.gz OLSDHCQQXHGOAG-TZIWHRDSSA-N 1 3 372.557 3.040 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673415 506659376 /nfs/dbraw/zinc/65/93/76/506659376.db2.gz OLSDHCQQXHGOAG-TZIWHRDSSA-N 1 3 372.557 3.040 20 0 FGADHO C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693367 506668480 /nfs/dbraw/zinc/66/84/80/506668480.db2.gz PWDDOPOZTXNQEA-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000604080635 506706787 /nfs/dbraw/zinc/70/67/87/506706787.db2.gz LVVNZZIRMDXGTP-HXUWFJFHSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000599966982 506729801 /nfs/dbraw/zinc/72/98/01/506729801.db2.gz AXEWJNOCYDDLRY-FQEVSTJZSA-N 1 3 371.569 3.322 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604189274 506744075 /nfs/dbraw/zinc/74/40/75/506744075.db2.gz XNQVDVMIHDWUHH-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604189274 506744079 /nfs/dbraw/zinc/74/40/79/506744079.db2.gz XNQVDVMIHDWUHH-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206806 506751774 /nfs/dbraw/zinc/75/17/74/506751774.db2.gz VWDYSJKFKDSUJU-NRFANRHFSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491481 506808280 /nfs/dbraw/zinc/80/82/80/506808280.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491481 506808287 /nfs/dbraw/zinc/80/82/87/506808287.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 1 3 369.553 3.374 20 0 FGADHO COC(=O)Cc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000600185956 506828877 /nfs/dbraw/zinc/82/88/77/506828877.db2.gz VTIXYMCERSJNJE-XMSQKQJNSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185956 506828883 /nfs/dbraw/zinc/82/88/83/506828883.db2.gz VTIXYMCERSJNJE-XMSQKQJNSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000600185956 506828892 /nfs/dbraw/zinc/82/88/92/506828892.db2.gz VTIXYMCERSJNJE-XMSQKQJNSA-N 1 3 366.505 3.402 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128596 506930541 /nfs/dbraw/zinc/93/05/41/506930541.db2.gz HNLXALGLGTXDAE-KNQAVFIVSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128596 506930543 /nfs/dbraw/zinc/93/05/43/506930543.db2.gz HNLXALGLGTXDAE-KNQAVFIVSA-N 1 3 371.569 3.130 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000600473863 506961693 /nfs/dbraw/zinc/96/16/93/506961693.db2.gz SDJHSNGGIIWMCY-OAQYLSRUSA-N 1 3 372.557 3.066 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818869 506979984 /nfs/dbraw/zinc/97/99/84/506979984.db2.gz DTFMYNFWLMKKBE-GOSISDBHSA-N 1 3 357.542 3.012 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818869 506979988 /nfs/dbraw/zinc/97/99/88/506979988.db2.gz DTFMYNFWLMKKBE-GOSISDBHSA-N 1 3 357.542 3.012 20 0 FGADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000583802320 506982760 /nfs/dbraw/zinc/98/27/60/506982760.db2.gz QKSKCKBTBVCRDT-YHELAOLJSA-N 1 3 372.557 3.371 20 0 FGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000594231192 507027760 /nfs/dbraw/zinc/02/77/60/507027760.db2.gz BCFPAWPBURBHSO-IRXDYDNUSA-N 1 3 362.518 3.011 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1 ZINC000605398735 507172691 /nfs/dbraw/zinc/17/26/91/507172691.db2.gz VMHIDSJJDGVBQR-OAQYLSRUSA-N 1 3 360.461 3.280 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000601338733 507338840 /nfs/dbraw/zinc/33/88/40/507338840.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N(C)Cc1ccccc1 ZINC000601338733 507338843 /nfs/dbraw/zinc/33/88/43/507338843.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO Ic1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594993438 507345061 /nfs/dbraw/zinc/34/50/61/507345061.db2.gz GJYIBLVTSSZGTK-CVEARBPZSA-N 1 3 370.278 3.050 20 0 FGADHO Ic1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594993438 507345064 /nfs/dbraw/zinc/34/50/64/507345064.db2.gz GJYIBLVTSSZGTK-CVEARBPZSA-N 1 3 370.278 3.050 20 0 FGADHO NC[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459719 507358176 /nfs/dbraw/zinc/35/81/76/507358176.db2.gz MOKYVLJGHFGANO-RTWAWAEBSA-N 1 3 366.509 3.013 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000606632898 507460218 /nfs/dbraw/zinc/46/02/18/507460218.db2.gz XHALFQNKTFKNKI-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO CC[C@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000602127394 507601687 /nfs/dbraw/zinc/60/16/87/507601687.db2.gz NBAKWDGGDUOPJC-NHCUHLMSSA-N 1 3 359.558 3.130 20 0 FGADHO CC[C@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000602127394 507601692 /nfs/dbraw/zinc/60/16/92/507601692.db2.gz NBAKWDGGDUOPJC-NHCUHLMSSA-N 1 3 359.558 3.130 20 0 FGADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358488 507699442 /nfs/dbraw/zinc/69/94/42/507699442.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358488 507699449 /nfs/dbraw/zinc/69/94/49/507699449.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419197 608882441 /nfs/dbraw/zinc/88/24/41/608882441.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419197 608882446 /nfs/dbraw/zinc/88/24/46/608882446.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1)CC1CC1 ZINC000825419197 608882450 /nfs/dbraw/zinc/88/24/50/608882450.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1)CC1CC1 ZINC000825419197 608882452 /nfs/dbraw/zinc/88/24/52/608882452.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125585959 700737651 /nfs/dbraw/zinc/73/76/51/700737651.db2.gz SOHMLXAKLTXHML-QGZVFWFLSA-N 1 3 358.404 3.083 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000182723686 705858302 /nfs/dbraw/zinc/85/83/02/705858302.db2.gz DKWGYIAMXCFBKL-MSOLQXFVSA-N 1 3 353.551 3.488 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000237346471 713590733 /nfs/dbraw/zinc/59/07/33/713590733.db2.gz JOYSGBFZEZECNT-GJZGRUSLSA-N 1 3 370.921 3.336 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309687 714003908 /nfs/dbraw/zinc/00/39/08/714003908.db2.gz YKNDOBXARXSSHX-QXCZDIPSSA-N 1 3 350.453 3.320 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309687 714003909 /nfs/dbraw/zinc/00/39/09/714003909.db2.gz YKNDOBXARXSSHX-QXCZDIPSSA-N 1 3 350.453 3.320 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1-c1ccccc1 ZINC000617504355 714663541 /nfs/dbraw/zinc/66/35/41/714663541.db2.gz RFYVHFVYNBIQQM-INIZCTEOSA-N 1 3 359.539 3.417 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1-c1ccccc1 ZINC000617504355 714663542 /nfs/dbraw/zinc/66/35/42/714663542.db2.gz RFYVHFVYNBIQQM-INIZCTEOSA-N 1 3 359.539 3.417 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396343 715327013 /nfs/dbraw/zinc/32/70/13/715327013.db2.gz PCZRERHOGGFLFH-HZPDHXFCSA-N 1 3 351.922 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396343 715327018 /nfs/dbraw/zinc/32/70/18/715327018.db2.gz PCZRERHOGGFLFH-HZPDHXFCSA-N 1 3 351.922 3.390 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420823 715332673 /nfs/dbraw/zinc/33/26/73/715332673.db2.gz PLOLFAQKLYQSOZ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420823 715332679 /nfs/dbraw/zinc/33/26/79/715332679.db2.gz PLOLFAQKLYQSOZ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccc(Br)cc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000623871318 715419636 /nfs/dbraw/zinc/41/96/36/715419636.db2.gz BBGJZKPSWFBNRN-AWEZNQCLSA-N 1 3 355.320 3.255 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119929 715476712 /nfs/dbraw/zinc/47/67/12/715476712.db2.gz MUSDEQNEROJJHX-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119929 715476714 /nfs/dbraw/zinc/47/67/14/715476714.db2.gz MUSDEQNEROJJHX-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119929 715476715 /nfs/dbraw/zinc/47/67/15/715476715.db2.gz MUSDEQNEROJJHX-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120662 715477632 /nfs/dbraw/zinc/47/76/32/715477632.db2.gz DPCQKGXKXCDBMD-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120662 715477635 /nfs/dbraw/zinc/47/76/35/715477635.db2.gz DPCQKGXKXCDBMD-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120662 715477638 /nfs/dbraw/zinc/47/76/38/715477638.db2.gz DPCQKGXKXCDBMD-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(N)CCOCC1 ZINC000629523825 716302705 /nfs/dbraw/zinc/30/27/05/716302705.db2.gz JUHXOPXTZIQSIM-ABAIWWIYSA-N 1 3 371.344 3.330 20 0 FGADHO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349259 718935369 /nfs/dbraw/zinc/93/53/69/718935369.db2.gz IHUFIZDGMMDCRB-LESCRADOSA-N 1 3 361.511 3.430 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccc(F)cc2Cl)C1 ZINC000652363639 718937343 /nfs/dbraw/zinc/93/73/43/718937343.db2.gz JWYONGVTZRXCBD-HFTRVMKXSA-N 1 3 356.869 3.219 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000653138210 719016291 /nfs/dbraw/zinc/01/62/91/719016291.db2.gz NVWJLSMZMQVPCB-WCQYABFASA-N 1 3 360.351 3.158 20 0 FGADHO CO[C@H](c1ccccc1F)[C@@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738035 719332625 /nfs/dbraw/zinc/33/26/25/719332625.db2.gz HJELCZGHDUXBBV-MDYRTPRTSA-N 1 3 350.478 3.135 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655805331 719342211 /nfs/dbraw/zinc/34/22/11/719342211.db2.gz LWISIRQJMAYUHA-HNJRGHQBSA-N 1 3 364.555 3.010 20 0 FGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000655827336 719345126 /nfs/dbraw/zinc/34/51/26/719345126.db2.gz SPJDTDXZOXPJCM-VDISTLRHSA-N 1 3 354.285 3.004 20 0 FGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658308253 719783665 /nfs/dbraw/zinc/78/36/65/719783665.db2.gz CVVXDHWYALHUAN-YFVAEKQCSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000665759095 720813869 /nfs/dbraw/zinc/81/38/69/720813869.db2.gz ZJSMVAMPYNISGZ-MAUKXSAKSA-N 1 3 366.937 3.068 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000665759095 720813874 /nfs/dbraw/zinc/81/38/74/720813874.db2.gz ZJSMVAMPYNISGZ-MAUKXSAKSA-N 1 3 366.937 3.068 20 0 FGADHO Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000666341852 720920858 /nfs/dbraw/zinc/92/08/58/720920858.db2.gz ANEXFUVEQIDEPJ-AWEZNQCLSA-N 1 3 369.579 3.044 20 0 FGADHO Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000666341852 720920860 /nfs/dbraw/zinc/92/08/60/720920860.db2.gz ANEXFUVEQIDEPJ-AWEZNQCLSA-N 1 3 369.579 3.044 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995783 721010623 /nfs/dbraw/zinc/01/06/23/721010623.db2.gz ZWXFVGDIKSNZHR-ZFWWWQNUSA-N 1 3 365.905 3.330 20 0 FGADHO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700802281 722409764 /nfs/dbraw/zinc/40/97/64/722409764.db2.gz HJQNIIVBGHLZJY-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618040 723356068 /nfs/dbraw/zinc/35/60/68/723356068.db2.gz ZFSJABXKAKXIGI-SFHVURJKSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618040 723356072 /nfs/dbraw/zinc/35/60/72/723356072.db2.gz ZFSJABXKAKXIGI-SFHVURJKSA-N 1 3 353.551 3.440 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CCC[C@@H]1C ZINC000766271884 723565512 /nfs/dbraw/zinc/56/55/12/723565512.db2.gz GVJGRBZOOWWWEP-KBPBESRZSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CCC[C@@H]1C ZINC000766271884 723565515 /nfs/dbraw/zinc/56/55/15/723565515.db2.gz GVJGRBZOOWWWEP-KBPBESRZSA-N 1 3 357.420 3.496 20 0 FGADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468189 725309502 /nfs/dbraw/zinc/30/95/02/725309502.db2.gz DKLPCLHTWJFYEZ-FQEVSTJZSA-N 1 3 353.526 3.112 20 0 FGADHO CN1CCC[C@H](C[N@H+](C)C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053314 727027322 /nfs/dbraw/zinc/02/73/22/727027322.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 1 3 373.310 3.069 20 0 FGADHO CN1CCC[C@H](C[N@@H+](C)C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053314 727027325 /nfs/dbraw/zinc/02/73/25/727027325.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 1 3 373.310 3.069 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044617 /nfs/dbraw/zinc/04/46/17/727044617.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 1 3 356.432 3.027 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044618 /nfs/dbraw/zinc/04/46/18/727044618.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 1 3 356.432 3.027 20 0 FGADHO [NH2+]=C(NC[C@H]1CCC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849097176 731228839 /nfs/dbraw/zinc/22/88/39/731228839.db2.gz FFGYWFFHDODFKS-INIZCTEOSA-N 1 3 350.457 3.200 20 0 FGADHO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849275423 731240548 /nfs/dbraw/zinc/24/05/48/731240548.db2.gz OQGRMNAJHLJJPB-ZDUSSCGKSA-N 1 3 356.967 3.207 20 0 FGADHO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849275423 731240550 /nfs/dbraw/zinc/24/05/50/731240550.db2.gz OQGRMNAJHLJJPB-ZDUSSCGKSA-N 1 3 356.967 3.207 20 0 FGADHO OCc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000858410861 732212062 /nfs/dbraw/zinc/21/20/62/732212062.db2.gz CRLYYYLWGDIQQS-INIZCTEOSA-N 1 3 351.372 3.279 20 0 FGADHO OCc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccn1 ZINC000858410861 732212064 /nfs/dbraw/zinc/21/20/64/732212064.db2.gz CRLYYYLWGDIQQS-INIZCTEOSA-N 1 3 351.372 3.279 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438040 733200969 /nfs/dbraw/zinc/20/09/69/733200969.db2.gz XWNVUKHBXGBUGK-UONOGXRCSA-N 1 3 367.456 3.154 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449772 733203392 /nfs/dbraw/zinc/20/33/92/733203392.db2.gz FBAQDGAOHUOFPH-LSDHHAIUSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449772 733203394 /nfs/dbraw/zinc/20/33/94/733203394.db2.gz FBAQDGAOHUOFPH-LSDHHAIUSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449772 733203395 /nfs/dbraw/zinc/20/33/95/733203395.db2.gz FBAQDGAOHUOFPH-LSDHHAIUSA-N 1 3 363.493 3.245 20 0 FGADHO FC(F)(F)C(F)(F)OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283609 735746434 /nfs/dbraw/zinc/74/64/34/735746434.db2.gz XSFOTWYZLMLAMP-OCCSQVGLSA-N 1 3 366.330 3.004 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292599 735747091 /nfs/dbraw/zinc/74/70/91/735747091.db2.gz UQJBHXDYJLFPMZ-JSGCOSHPSA-N 1 3 358.404 3.236 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697416 740033711 /nfs/dbraw/zinc/03/37/11/740033711.db2.gz SDCIYIYYIKOCHQ-RTBURBONSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697416 740033718 /nfs/dbraw/zinc/03/37/18/740033718.db2.gz SDCIYIYYIKOCHQ-RTBURBONSA-N 1 3 350.478 3.250 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794293 743776449 /nfs/dbraw/zinc/77/64/49/743776449.db2.gz UZRNJQLUUHNFSD-VXGBXAGGSA-N 1 3 363.449 3.005 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107362 743805590 /nfs/dbraw/zinc/80/55/90/743805590.db2.gz SBLAZBSTRIJEFS-OAHLLOKOSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107362 743805593 /nfs/dbraw/zinc/80/55/93/743805593.db2.gz SBLAZBSTRIJEFS-OAHLLOKOSA-N 1 3 351.535 3.429 20 0 FGADHO Fc1ccc([C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769290 743882013 /nfs/dbraw/zinc/88/20/13/743882013.db2.gz BQGSJDGWTQLZBO-IAGOWNOFSA-N 1 3 350.453 3.303 20 0 FGADHO CON1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000924993994 759428433 /nfs/dbraw/zinc/42/84/33/759428433.db2.gz QZIRZPQHPWGSCF-UHFFFAOYSA-N 1 3 351.922 3.167 20 0 FGADHO C[NH+]1CCC(O)(CN[C@H](Cc2cccc(F)c2Cl)c2ccco2)CC1 ZINC000925118259 759449978 /nfs/dbraw/zinc/44/99/78/759449978.db2.gz RYLKCMVXLGNBPO-MRXNPFEDSA-N 1 3 366.864 3.402 20 0 FGADHO C[C@@H]([NH3+])[C@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660762 759520019 /nfs/dbraw/zinc/52/00/19/759520019.db2.gz ANKXQHUYXBNWAK-BQPQTXTPSA-N 1 3 355.448 3.470 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925779967 759536549 /nfs/dbraw/zinc/53/65/49/759536549.db2.gz CNIQNNGGGBPDBA-RISCZKNCSA-N 1 3 352.454 3.409 20 0 FGADHO COCCC[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925788734 759539744 /nfs/dbraw/zinc/53/97/44/759539744.db2.gz BUNVVDAMXLBDNY-KMFMINBZSA-N 1 3 355.320 3.362 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925807263 759546256 /nfs/dbraw/zinc/54/62/56/759546256.db2.gz DVAZEMPVQMXMAJ-HNNXBMFYSA-N 1 3 358.555 3.270 20 0 FGADHO COc1cc(Br)cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000925832990 759554100 /nfs/dbraw/zinc/55/41/00/759554100.db2.gz YIACBYYCHQPWRZ-NSHDSACASA-N 1 3 364.287 3.471 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853063 759559585 /nfs/dbraw/zinc/55/95/85/759559585.db2.gz JFQXVMWLSJAEDR-JSGCOSHPSA-N 1 3 365.543 3.085 20 0 FGADHO O=C1O[C@H](CN[C@@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925857001 759561578 /nfs/dbraw/zinc/56/15/78/759561578.db2.gz YQXBLCUYXLWZHA-XHDPSFHLSA-N 1 3 369.292 3.256 20 0 FGADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785262 759821460 /nfs/dbraw/zinc/82/14/60/759821460.db2.gz ATXUCPYWNMUXPN-AVAUJXNBSA-N 1 3 356.432 3.473 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938714 766576721 /nfs/dbraw/zinc/57/67/21/766576721.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 1 3 367.965 3.174 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938714 766576726 /nfs/dbraw/zinc/57/67/26/766576726.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 1 3 367.965 3.174 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000130680010 206125368 /nfs/dbraw/zinc/12/53/68/206125368.db2.gz VHJVABZNTCLLOH-DHZHZOJOSA-N 1 3 357.542 3.116 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000570867311 505599106 /nfs/dbraw/zinc/59/91/06/505599106.db2.gz QURDMYRZGQRZEJ-MJGOQNOKSA-N 1 3 354.498 3.166 20 0 FGADHO COc1ncccc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000573734545 505606863 /nfs/dbraw/zinc/60/68/63/505606863.db2.gz ZFJPUNWMVYMQJF-MZADTFQBSA-N 1 3 351.494 3.418 20 0 FGADHO COc1ncccc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000573734545 505606866 /nfs/dbraw/zinc/60/68/66/505606866.db2.gz ZFJPUNWMVYMQJF-MZADTFQBSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302478 505661866 /nfs/dbraw/zinc/66/18/66/505661866.db2.gz CGMOETLUKVLWEA-BVSLBCMMSA-N 1 3 372.553 3.320 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000075860780 493787486 /nfs/dbraw/zinc/78/74/86/493787486.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 1 3 351.922 3.153 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000075860780 493787487 /nfs/dbraw/zinc/78/74/87/493787487.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 1 3 351.922 3.153 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000057844270 493807276 /nfs/dbraw/zinc/80/72/76/493807276.db2.gz OCQPJOOSWJWTOR-UHFFFAOYSA-N 1 3 351.494 3.130 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000057844270 493807279 /nfs/dbraw/zinc/80/72/79/493807279.db2.gz OCQPJOOSWJWTOR-UHFFFAOYSA-N 1 3 351.494 3.130 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)C ZINC000060955063 493960468 /nfs/dbraw/zinc/96/04/68/493960468.db2.gz ZJCJXWUQWQZXON-HXUWFJFHSA-N 1 3 360.546 3.242 20 0 FGADHO CC(C)[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000577265879 505697887 /nfs/dbraw/zinc/69/78/87/505697887.db2.gz CPJGSFDNEDGMBI-IBGZPJMESA-N 1 3 350.470 3.080 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1OCCN(C)C ZINC000063757927 494084392 /nfs/dbraw/zinc/08/43/92/494084392.db2.gz ZYUQFOVOKVVZBD-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1OCCN(C)C ZINC000063757927 494084397 /nfs/dbraw/zinc/08/43/97/494084397.db2.gz ZYUQFOVOKVVZBD-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085359792 494116904 /nfs/dbraw/zinc/11/69/04/494116904.db2.gz ZVUZTYTZIHPETR-AOIWGVFYSA-N 1 3 360.546 3.097 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000065477745 494202490 /nfs/dbraw/zinc/20/24/90/494202490.db2.gz PMRGZCUMWSFMIT-IBGZPJMESA-N 1 3 374.573 3.448 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CN3CCC(C)CC3)C2)s1 ZINC000580225971 505707599 /nfs/dbraw/zinc/70/75/99/505707599.db2.gz QZNWAOSSJADXBF-SFHVURJKSA-N 1 3 363.571 3.069 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CN3CCC(C)CC3)C2)s1 ZINC000580225971 505707601 /nfs/dbraw/zinc/70/76/01/505707601.db2.gz QZNWAOSSJADXBF-SFHVURJKSA-N 1 3 363.571 3.069 20 0 FGADHO CCCN1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000088174435 494211577 /nfs/dbraw/zinc/21/15/77/494211577.db2.gz DKWRQXPVJPHJCY-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718910 494264943 /nfs/dbraw/zinc/26/49/43/494264943.db2.gz VJXQHLGFUMWHPI-WMZOPIPTSA-N 1 3 372.557 3.430 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000568529343 505717036 /nfs/dbraw/zinc/71/70/36/505717036.db2.gz HXPVGAUDNQOLIV-UHFFFAOYSA-N 1 3 363.590 3.467 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000079389641 494444760 /nfs/dbraw/zinc/44/47/60/494444760.db2.gz QDQUYVWCGNCKEN-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960861 494445761 /nfs/dbraw/zinc/44/57/61/494445761.db2.gz UFGAPUVFJTUKEZ-IBGZPJMESA-N 1 3 359.558 3.178 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960861 494445764 /nfs/dbraw/zinc/44/57/64/494445764.db2.gz UFGAPUVFJTUKEZ-IBGZPJMESA-N 1 3 359.558 3.178 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079451704 494457275 /nfs/dbraw/zinc/45/72/75/494457275.db2.gz OQOYEAMJYLPYQU-UHFFFAOYSA-N 1 3 368.525 3.022 20 0 FGADHO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(OCCN(C)C)cc1 ZINC000090409423 494463422 /nfs/dbraw/zinc/46/34/22/494463422.db2.gz PWNTZNUNLABMMF-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336507 494586222 /nfs/dbraw/zinc/58/62/22/494586222.db2.gz BACAGMKTPCRLNG-GOEBONIOSA-N 1 3 364.921 3.114 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336507 494586230 /nfs/dbraw/zinc/58/62/30/494586230.db2.gz BACAGMKTPCRLNG-GOEBONIOSA-N 1 3 364.921 3.114 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369042 494587230 /nfs/dbraw/zinc/58/72/30/494587230.db2.gz MOWYDJDRMJAVGU-ZFWWWQNUSA-N 1 3 352.910 3.234 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166876 494622539 /nfs/dbraw/zinc/62/25/39/494622539.db2.gz HNGNQYSISDRFTB-WIYYLYMNSA-N 1 3 372.557 3.212 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000121218743 494652920 /nfs/dbraw/zinc/65/29/20/494652920.db2.gz MBHMNCVURAIKCZ-HOTGVXAUSA-N 1 3 355.473 3.212 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165338 494659587 /nfs/dbraw/zinc/65/95/87/494659587.db2.gz OZLDLTXMDSRWNF-UTKZUKDTSA-N 1 3 361.493 3.364 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165338 494659594 /nfs/dbraw/zinc/65/95/94/494659594.db2.gz OZLDLTXMDSRWNF-UTKZUKDTSA-N 1 3 361.493 3.364 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249818 494666251 /nfs/dbraw/zinc/66/62/51/494666251.db2.gz NXNCDFRBSGYHJW-RBUKOAKNSA-N 1 3 369.557 3.105 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000121249539 494666610 /nfs/dbraw/zinc/66/66/10/494666610.db2.gz NXNCDFRBSGYHJW-OALUTQOASA-N 1 3 369.557 3.105 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701683 /nfs/dbraw/zinc/70/16/83/494701683.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701685 /nfs/dbraw/zinc/70/16/85/494701685.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO c1cnn(Cc2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617129 505738027 /nfs/dbraw/zinc/73/80/27/505738027.db2.gz JOJHQRSLMFISNX-GGAORHGYSA-N 1 3 374.488 3.277 20 0 FGADHO CN(CCCOc1cccc(Cl)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000126398483 494737281 /nfs/dbraw/zinc/73/72/81/494737281.db2.gz FCDJTMLVNNWOGH-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CN(CCCOc1cccc(Cl)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126398483 494737288 /nfs/dbraw/zinc/73/72/88/494737288.db2.gz FCDJTMLVNNWOGH-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)COc1ccccc1 ZINC000092821312 494763066 /nfs/dbraw/zinc/76/30/66/494763066.db2.gz RFTFVGZTOVCCSU-OAQYLSRUSA-N 1 3 369.509 3.060 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)COc1ccccc1 ZINC000092821312 494763069 /nfs/dbraw/zinc/76/30/69/494763069.db2.gz RFTFVGZTOVCCSU-OAQYLSRUSA-N 1 3 369.509 3.060 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092072477 494777811 /nfs/dbraw/zinc/77/78/11/494777811.db2.gz QCUQSVBPSZSKPZ-HXUWFJFHSA-N 1 3 367.541 3.321 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092072477 494777816 /nfs/dbraw/zinc/77/78/16/494777816.db2.gz QCUQSVBPSZSKPZ-HXUWFJFHSA-N 1 3 367.541 3.321 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917006 494889756 /nfs/dbraw/zinc/88/97/56/494889756.db2.gz VKAAKHFKXCJRPY-QFBILLFUSA-N 1 3 365.949 3.478 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122137769 494930271 /nfs/dbraw/zinc/93/02/71/494930271.db2.gz WPFIXUADUBZION-OTWHNJEPSA-N 1 3 366.571 3.197 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122137769 494930273 /nfs/dbraw/zinc/93/02/73/494930273.db2.gz WPFIXUADUBZION-OTWHNJEPSA-N 1 3 366.571 3.197 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000127446130 494946138 /nfs/dbraw/zinc/94/61/38/494946138.db2.gz WYBALYPANAAPPB-QHCPKHFHSA-N 1 3 373.585 3.167 20 0 FGADHO CC[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N(C)C ZINC000122321995 494957445 /nfs/dbraw/zinc/95/74/45/494957445.db2.gz FJTWODIYBCDYMF-NRFANRHFSA-N 1 3 359.558 3.178 20 0 FGADHO CC[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N(C)C ZINC000122322224 494958006 /nfs/dbraw/zinc/95/80/06/494958006.db2.gz FJTWODIYBCDYMF-OAQYLSRUSA-N 1 3 359.558 3.178 20 0 FGADHO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000122407664 494969800 /nfs/dbraw/zinc/96/98/00/494969800.db2.gz MKWBQBGDCUMVBE-JTSKRJEESA-N 1 3 370.537 3.480 20 0 FGADHO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000122408187 494970903 /nfs/dbraw/zinc/97/09/03/494970903.db2.gz MKWBQBGDCUMVBE-VGSWGCGISA-N 1 3 370.537 3.480 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128352920 495084192 /nfs/dbraw/zinc/08/41/92/495084192.db2.gz UOAZEHUSGBNUNI-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123548085 495150019 /nfs/dbraw/zinc/15/00/19/495150019.db2.gz YFLAHJTUXXJIDK-MOPGFXCFSA-N 1 3 359.558 3.349 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320876 495220171 /nfs/dbraw/zinc/22/01/71/495220171.db2.gz UJWXDJMJPMKHAR-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000129678742 495279313 /nfs/dbraw/zinc/27/93/13/495279313.db2.gz SBXPZXYACVYKSA-CTNGQTDRSA-N 1 3 372.557 3.053 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000113552747 495313675 /nfs/dbraw/zinc/31/36/75/495313675.db2.gz GYOHWGRQFIBPCF-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000113552747 495313681 /nfs/dbraw/zinc/31/36/81/495313681.db2.gz GYOHWGRQFIBPCF-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@]4(CC=CCC4)C3)CC2)CC1 ZINC000114526464 495389723 /nfs/dbraw/zinc/38/97/23/495389723.db2.gz IPHFJCUXPFXBDM-JOCHJYFZSA-N 1 3 374.573 3.077 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530844 495463753 /nfs/dbraw/zinc/46/37/53/495463753.db2.gz RZUMEAINVLIESG-PZJWPPBQSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530844 495463757 /nfs/dbraw/zinc/46/37/57/495463757.db2.gz RZUMEAINVLIESG-PZJWPPBQSA-N 1 3 370.541 3.140 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000131119523 495494876 /nfs/dbraw/zinc/49/48/76/495494876.db2.gz NKPNYJPQVVAQCX-IFMALSPDSA-N 1 3 365.521 3.404 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000182403588 495550154 /nfs/dbraw/zinc/55/01/54/495550154.db2.gz BJZNRRUCCKHRMO-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000154246443 495556448 /nfs/dbraw/zinc/55/64/48/495556448.db2.gz GXMBMVGLKFOWHR-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000154288720 495569916 /nfs/dbraw/zinc/56/99/16/495569916.db2.gz VKMTUEALYNWIHA-GOSISDBHSA-N 1 3 373.463 3.010 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000173564646 495590704 /nfs/dbraw/zinc/59/07/04/495590704.db2.gz SDGYLWQRMLENRL-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO CC[C@@H](NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1nccn1C ZINC000182679697 495662245 /nfs/dbraw/zinc/66/22/45/495662245.db2.gz PYDQOCHIKUCIBX-HXUWFJFHSA-N 1 3 356.514 3.382 20 0 FGADHO COCCCN1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159137741 495668444 /nfs/dbraw/zinc/66/84/44/495668444.db2.gz OUFBXFQEFFFALU-QGZVFWFLSA-N 1 3 356.514 3.332 20 0 FGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000159137741 495668448 /nfs/dbraw/zinc/66/84/48/495668448.db2.gz OUFBXFQEFFFALU-QGZVFWFLSA-N 1 3 356.514 3.332 20 0 FGADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000176565103 495700902 /nfs/dbraw/zinc/70/09/02/495700902.db2.gz RSYRKSJPQJHOBF-PZJWPPBQSA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000150999490 495707067 /nfs/dbraw/zinc/70/70/67/495707067.db2.gz RIQKTGKSLQOBEA-KRWDZBQOSA-N 1 3 363.521 3.447 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176631883 495727792 /nfs/dbraw/zinc/72/77/92/495727792.db2.gz UBLRPWORVLNPFD-UXHICEINSA-N 1 3 360.546 3.153 20 0 FGADHO COC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000173911226 495744359 /nfs/dbraw/zinc/74/43/59/495744359.db2.gz WIJUOPLQVFVKBS-IBGZPJMESA-N 1 3 353.510 3.133 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898554 495747863 /nfs/dbraw/zinc/74/78/63/495747863.db2.gz SMGDDNOCEPQUEO-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898554 495747869 /nfs/dbraw/zinc/74/78/69/495747869.db2.gz SMGDDNOCEPQUEO-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO FC(F)Oc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173946925 495757585 /nfs/dbraw/zinc/75/75/85/495757585.db2.gz MWKRHPXOYOPLQH-UHFFFAOYSA-N 1 3 354.441 3.365 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000179884351 495770226 /nfs/dbraw/zinc/77/02/26/495770226.db2.gz KHYCGCYWIZYGGF-IAGOWNOFSA-N 1 3 362.562 3.039 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000173992916 495780027 /nfs/dbraw/zinc/78/00/27/495780027.db2.gz SKUXDAXXBQITDH-QZTJIDSGSA-N 1 3 357.542 3.123 20 0 FGADHO COc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000151579563 495884165 /nfs/dbraw/zinc/88/41/65/495884165.db2.gz MXPQVENKJPTCBU-MRXNPFEDSA-N 1 3 358.482 3.495 20 0 FGADHO CSC1(CN[C@H](C)c2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000580681512 505812899 /nfs/dbraw/zinc/81/28/99/505812899.db2.gz VBVNQOQMXZNZKM-GFCCVEGCSA-N 1 3 358.349 3.322 20 0 FGADHO C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785106 505814894 /nfs/dbraw/zinc/81/48/94/505814894.db2.gz AHRMQUFYAFABFC-QLXKLKPCSA-N 1 3 374.550 3.356 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000174650665 496047008 /nfs/dbraw/zinc/04/70/08/496047008.db2.gz BHHYMPYAIODSFA-ROUUACIJSA-N 1 3 357.542 3.123 20 0 FGADHO CC(C)OCC[C@@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000577947570 505825296 /nfs/dbraw/zinc/82/52/96/505825296.db2.gz LHROGDBBMWZCCE-WOIUINJBSA-N 1 3 362.558 3.430 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827760 /nfs/dbraw/zinc/82/77/60/505827760.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827762 /nfs/dbraw/zinc/82/77/62/505827762.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CN1Cc1ccccc1 ZINC000161629868 496211206 /nfs/dbraw/zinc/21/12/06/496211206.db2.gz WOALXMLFMNDIBY-SJLPKXTDSA-N 1 3 372.557 3.258 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000184497318 496412336 /nfs/dbraw/zinc/41/23/36/496412336.db2.gz ABQDKFDMCWFALK-DLBZAZTESA-N 1 3 367.559 3.363 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181493610 496418095 /nfs/dbraw/zinc/41/80/95/496418095.db2.gz UKLKEPALCIUXRW-PMACEKPBSA-N 1 3 351.579 3.122 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162942803 496437850 /nfs/dbraw/zinc/43/78/50/496437850.db2.gz HWDZVMUJCQJPKP-QGZVFWFLSA-N 1 3 362.481 3.109 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187458727 496449511 /nfs/dbraw/zinc/44/95/11/496449511.db2.gz OGXRMRLNRPOZIP-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187458727 496449513 /nfs/dbraw/zinc/44/95/13/496449513.db2.gz OGXRMRLNRPOZIP-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000172864194 496466135 /nfs/dbraw/zinc/46/61/35/496466135.db2.gz YMHGHIUIAAFTKL-MJGOQNOKSA-N 1 3 357.542 3.196 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219572 496483646 /nfs/dbraw/zinc/48/36/46/496483646.db2.gz NCVOCKZDCSRQAS-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219572 496483650 /nfs/dbraw/zinc/48/36/50/496483650.db2.gz NCVOCKZDCSRQAS-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219572 496483652 /nfs/dbraw/zinc/48/36/52/496483652.db2.gz NCVOCKZDCSRQAS-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522096 496486218 /nfs/dbraw/zinc/48/62/18/496486218.db2.gz BFQOCSWSRYYGTH-CXAGYDPISA-N 1 3 367.331 3.434 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccs1 ZINC000184743152 496515485 /nfs/dbraw/zinc/51/54/85/496515485.db2.gz NIJSCPFEHDCYJR-IRXDYDNUSA-N 1 3 371.550 3.111 20 0 FGADHO CC1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN(Cc2ccccc2)CC1 ZINC000578066035 505853688 /nfs/dbraw/zinc/85/36/88/505853688.db2.gz BTRLDLKSQZEMCR-NRFANRHFSA-N 1 3 369.553 3.279 20 0 FGADHO CN(Cc1cc(Br)cc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000153850480 496601179 /nfs/dbraw/zinc/60/11/79/496601179.db2.gz WJBSLWRKTOFSCD-UHFFFAOYSA-N 1 3 353.304 3.158 20 0 FGADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000164650209 496626448 /nfs/dbraw/zinc/62/64/48/496626448.db2.gz AMOGVSOXWQIYBN-QGZVFWFLSA-N 1 3 352.544 3.397 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260218 496661683 /nfs/dbraw/zinc/66/16/83/496661683.db2.gz ZGSBATQOVPGBDV-IRXDYDNUSA-N 1 3 364.555 3.395 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185124998 496671761 /nfs/dbraw/zinc/67/17/61/496671761.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185124998 496671766 /nfs/dbraw/zinc/67/17/66/496671766.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 1 3 372.557 3.297 20 0 FGADHO COc1ccc2c(c1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCCS2 ZINC000188109974 496687502 /nfs/dbraw/zinc/68/75/02/496687502.db2.gz IKXLJDNBIPIEAI-LJQANCHMSA-N 1 3 363.571 3.238 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000176125479 496694637 /nfs/dbraw/zinc/69/46/37/496694637.db2.gz YTXLGJNYUWENBM-UHFFFAOYSA-N 1 3 365.521 3.485 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000182225622 496713674 /nfs/dbraw/zinc/71/36/74/496713674.db2.gz BPEJVMKONJSOFQ-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000182225622 496713678 /nfs/dbraw/zinc/71/36/78/496713678.db2.gz BPEJVMKONJSOFQ-OFNKIYASSA-N 1 3 366.505 3.429 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000182272969 496724231 /nfs/dbraw/zinc/72/42/31/496724231.db2.gz GDJLOJCLNFIAOA-XZOQPEGZSA-N 1 3 350.506 3.364 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182273640 496724745 /nfs/dbraw/zinc/72/47/45/496724745.db2.gz OWLNFDXVJPWQED-KDOFPFPSSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182273640 496724747 /nfs/dbraw/zinc/72/47/47/496724747.db2.gz OWLNFDXVJPWQED-KDOFPFPSSA-N 1 3 359.539 3.431 20 0 FGADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194923682 496761669 /nfs/dbraw/zinc/76/16/69/496761669.db2.gz DVJBTNXQDZYJIB-LJQANCHMSA-N 1 3 373.516 3.028 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000273342311 496778426 /nfs/dbraw/zinc/77/84/26/496778426.db2.gz AQIGHNXFCRKAFD-WIYYLYMNSA-N 1 3 372.557 3.195 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000273347777 496780906 /nfs/dbraw/zinc/78/09/06/496780906.db2.gz CBRAZNZSIGOWQC-GOSISDBHSA-N 1 3 374.573 3.400 20 0 FGADHO COc1ccc([C@H]2C[C@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503218 496787897 /nfs/dbraw/zinc/78/78/97/496787897.db2.gz BWMYKQZIFKNIFO-FPOVZHCZSA-N 1 3 359.558 3.289 20 0 FGADHO COc1ccc([C@H]2C[C@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503218 496787902 /nfs/dbraw/zinc/78/79/02/496787902.db2.gz BWMYKQZIFKNIFO-FPOVZHCZSA-N 1 3 359.558 3.289 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000191585059 496821799 /nfs/dbraw/zinc/82/17/99/496821799.db2.gz UTGRFLAPZSKNJW-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000191602858 496827803 /nfs/dbraw/zinc/82/78/03/496827803.db2.gz OTZGYVQCDSFCBK-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO C[C@@H](NC1CC1)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000578129524 505869325 /nfs/dbraw/zinc/86/93/25/505869325.db2.gz KKLPRRYWTFRYJI-CYBMUJFWSA-N 1 3 372.340 3.414 20 0 FGADHO CN1CCC[C@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000247969684 496934606 /nfs/dbraw/zinc/93/46/06/496934606.db2.gz HEEFJBAPYDYUSS-ROUUACIJSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000247969684 496934612 /nfs/dbraw/zinc/93/46/12/496934612.db2.gz HEEFJBAPYDYUSS-ROUUACIJSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124296 496957554 /nfs/dbraw/zinc/95/75/54/496957554.db2.gz NSUDCBXWKSVZHC-CABCVRRESA-N 1 3 355.320 3.337 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124296 496957559 /nfs/dbraw/zinc/95/75/59/496957559.db2.gz NSUDCBXWKSVZHC-CABCVRRESA-N 1 3 355.320 3.337 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189042072 496988996 /nfs/dbraw/zinc/98/89/96/496988996.db2.gz JEHJOVAUFXTFDK-CYBMUJFWSA-N 1 3 363.855 3.474 20 0 FGADHO Cc1cc(NC(=O)CCN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000248390755 496992305 /nfs/dbraw/zinc/99/23/05/496992305.db2.gz CHBYDYVLUIBSCD-JIPZTSHUSA-N 1 3 370.497 3.058 20 0 FGADHO Cc1cc(NC(=O)CCN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000248390755 496992309 /nfs/dbraw/zinc/99/23/09/496992309.db2.gz CHBYDYVLUIBSCD-JIPZTSHUSA-N 1 3 370.497 3.058 20 0 FGADHO COCCC1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCCCC1 ZINC000189104541 497010196 /nfs/dbraw/zinc/01/01/96/497010196.db2.gz CFBNFWAXUREYRO-UHFFFAOYSA-N 1 3 351.579 3.122 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911717 505882067 /nfs/dbraw/zinc/88/20/67/505882067.db2.gz BQZIXADYKPACGR-PKOBYXMFSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911717 505882072 /nfs/dbraw/zinc/88/20/72/505882072.db2.gz BQZIXADYKPACGR-PKOBYXMFSA-N 1 3 352.482 3.053 20 0 FGADHO COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)no1 ZINC000192340219 497078731 /nfs/dbraw/zinc/07/87/31/497078731.db2.gz OHMSAEGNZHSYJO-QGZVFWFLSA-N 1 3 370.497 3.409 20 0 FGADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000572080099 505883791 /nfs/dbraw/zinc/88/37/91/505883791.db2.gz WQHXCWMKLFDZOX-JOCHJYFZSA-N 1 3 365.525 3.130 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823533 497110261 /nfs/dbraw/zinc/11/02/61/497110261.db2.gz FNXXPVCGDHHJEG-CWBXHPNXSA-N 1 3 350.506 3.375 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823533 497110267 /nfs/dbraw/zinc/11/02/67/497110267.db2.gz FNXXPVCGDHHJEG-CWBXHPNXSA-N 1 3 350.506 3.375 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823537 497110484 /nfs/dbraw/zinc/11/04/84/497110484.db2.gz FNXXPVCGDHHJEG-ODAXIHTASA-N 1 3 350.506 3.375 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823537 497110486 /nfs/dbraw/zinc/11/04/86/497110486.db2.gz FNXXPVCGDHHJEG-ODAXIHTASA-N 1 3 350.506 3.375 20 0 FGADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C2 ZINC000192439516 497114820 /nfs/dbraw/zinc/11/48/20/497114820.db2.gz IWUUQSSLYBVXRE-LJQANCHMSA-N 1 3 354.494 3.283 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248872703 497121879 /nfs/dbraw/zinc/12/18/79/497121879.db2.gz QSIMKBUJHIOTBS-YLJYHZDGSA-N 1 3 372.557 3.069 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516050 497143158 /nfs/dbraw/zinc/14/31/58/497143158.db2.gz MDXAFKJQFSLABW-LEWJYISDSA-N 1 3 370.541 3.092 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](N)c1ccccc1 ZINC000236876185 497161786 /nfs/dbraw/zinc/16/17/86/497161786.db2.gz OTGVNBRVJQUIBF-GOSISDBHSA-N 1 3 355.482 3.436 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000236885878 497162440 /nfs/dbraw/zinc/16/24/40/497162440.db2.gz HXOFIILHMCXIPM-FQEVSTJZSA-N 1 3 355.482 3.436 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000249106333 497167562 /nfs/dbraw/zinc/16/75/62/497167562.db2.gz QLKUOURNUNAYQG-UEXGIBASSA-N 1 3 352.563 3.139 20 0 FGADHO CC[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000236916346 497167952 /nfs/dbraw/zinc/16/79/52/497167952.db2.gz KFZIORAUNUFYKK-NRFANRHFSA-N 1 3 351.494 3.303 20 0 FGADHO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274905863 497196703 /nfs/dbraw/zinc/19/67/03/497196703.db2.gz MDWWYBIXORAJJE-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000192738113 497200054 /nfs/dbraw/zinc/20/00/54/497200054.db2.gz JHSXPGKPOXTZIR-HXUWFJFHSA-N 1 3 361.574 3.364 20 0 FGADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000192738113 497200057 /nfs/dbraw/zinc/20/00/57/497200057.db2.gz JHSXPGKPOXTZIR-HXUWFJFHSA-N 1 3 361.574 3.364 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265929430 497210687 /nfs/dbraw/zinc/21/06/87/497210687.db2.gz ADWSTCUWJCXTJQ-FQEVSTJZSA-N 1 3 355.526 3.230 20 0 FGADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000578231866 505893362 /nfs/dbraw/zinc/89/33/62/505893362.db2.gz QRAKXHJZRJLGPS-UHFFFAOYSA-N 1 3 369.431 3.498 20 0 FGADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000578231866 505893369 /nfs/dbraw/zinc/89/33/69/505893369.db2.gz QRAKXHJZRJLGPS-UHFFFAOYSA-N 1 3 369.431 3.498 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237529198 497251401 /nfs/dbraw/zinc/25/14/01/497251401.db2.gz PLVYQKPQLVQXDU-UWJYYQICSA-N 1 3 351.494 3.270 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000572126853 505896352 /nfs/dbraw/zinc/89/63/52/505896352.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 1 3 372.557 3.017 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000572126853 505896354 /nfs/dbraw/zinc/89/63/54/505896354.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 1 3 372.557 3.017 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000189872881 497275577 /nfs/dbraw/zinc/27/55/77/497275577.db2.gz XOSCWQMDAUDXDH-TZIWHRDSSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](N)c1ccccc1 ZINC000237704741 497278814 /nfs/dbraw/zinc/27/88/14/497278814.db2.gz GSTOMNWKNIYANP-UZLBHIALSA-N 1 3 371.550 3.412 20 0 FGADHO Cc1cc(NC(=O)[C@H](CN)c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237721732 497282059 /nfs/dbraw/zinc/28/20/59/497282059.db2.gz KQTSSGPRNOWMBH-HXUWFJFHSA-N 1 3 367.493 3.151 20 0 FGADHO CCOC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000193300313 497343861 /nfs/dbraw/zinc/34/38/61/497343861.db2.gz GTSPNQWSAKCTJB-XUBOLADHSA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193300313 497343865 /nfs/dbraw/zinc/34/38/65/497343865.db2.gz GTSPNQWSAKCTJB-XUBOLADHSA-N 1 3 357.498 3.002 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)c4ccccc43)CC2)CC1 ZINC000575000621 505902180 /nfs/dbraw/zinc/90/21/80/505902180.db2.gz IOFMLISGBLYLHF-KRWDZBQOSA-N 1 3 355.526 3.333 20 0 FGADHO COc1cc2c(cc1C[NH2+]CC1CCN(c3ccncc3)CC1)O[C@@H](C)C2 ZINC000569308081 505902884 /nfs/dbraw/zinc/90/28/84/505902884.db2.gz IDZBVXKKWOULHW-INIZCTEOSA-N 1 3 367.493 3.420 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407185 /nfs/dbraw/zinc/40/71/85/497407185.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407191 /nfs/dbraw/zinc/40/71/91/497407191.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 1 3 374.573 3.413 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245461280 497417846 /nfs/dbraw/zinc/41/78/46/497417846.db2.gz MWELCNNOCPCGFV-IXDOHACOSA-N 1 3 350.503 3.244 20 0 FGADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261607233 497418556 /nfs/dbraw/zinc/41/85/56/497418556.db2.gz ROLSWYLQZKYVPU-TYPHKJRUSA-N 1 3 355.526 3.030 20 0 FGADHO CN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658946 497491220 /nfs/dbraw/zinc/49/12/20/497491220.db2.gz PDFBQKLNRGBOAU-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262022006 497494143 /nfs/dbraw/zinc/49/41/43/497494143.db2.gz WGISKBDVUKKCJU-CYBMUJFWSA-N 1 3 353.869 3.129 20 0 FGADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671753 497495145 /nfs/dbraw/zinc/49/51/45/497495145.db2.gz HLPWQAVQHNQLMJ-KAOXLYBCSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671753 497495148 /nfs/dbraw/zinc/49/51/48/497495148.db2.gz HLPWQAVQHNQLMJ-KAOXLYBCSA-N 1 3 350.506 3.375 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262079141 497504677 /nfs/dbraw/zinc/50/46/77/497504677.db2.gz AQCBGBICVKFFNM-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262079141 497504682 /nfs/dbraw/zinc/50/46/82/497504682.db2.gz AQCBGBICVKFFNM-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505280 /nfs/dbraw/zinc/50/52/80/497505280.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 1 3 362.514 3.017 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505283 /nfs/dbraw/zinc/50/52/83/497505283.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 1 3 362.514 3.017 20 0 FGADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740163 497523226 /nfs/dbraw/zinc/52/32/26/497523226.db2.gz RLFAQAZIBYGAQC-AYWYSENESA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369456 497534577 /nfs/dbraw/zinc/53/45/77/497534577.db2.gz SKROTCBEDOPHLR-WIYYLYMNSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245831489 497545863 /nfs/dbraw/zinc/54/58/63/497545863.db2.gz BTCUDXCNPDUIIK-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245913381 497569435 /nfs/dbraw/zinc/56/94/35/497569435.db2.gz XMSUVANVZSMETP-RLLQIKCJSA-N 1 3 372.557 3.384 20 0 FGADHO Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000272232143 497572432 /nfs/dbraw/zinc/57/24/32/497572432.db2.gz URPGBWVNWFIPSJ-UZLBHIALSA-N 1 3 363.509 3.277 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245961870 497584738 /nfs/dbraw/zinc/58/47/38/497584738.db2.gz YHBKBFZJWOMKQE-YPAWHYETSA-N 1 3 371.569 3.117 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000262645660 497591080 /nfs/dbraw/zinc/59/10/80/497591080.db2.gz NLGOACRRVNVQOD-NDXORKPFSA-N 1 3 353.510 3.304 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246198603 497657011 /nfs/dbraw/zinc/65/70/11/497657011.db2.gz MVIBKDMQAMWPPV-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246198603 497657018 /nfs/dbraw/zinc/65/70/18/497657018.db2.gz MVIBKDMQAMWPPV-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272695451 497703947 /nfs/dbraw/zinc/70/39/47/497703947.db2.gz WYNPOTABAQXYOO-AZUAARDMSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H](NCCc1nnc2n1CCCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695451 497703955 /nfs/dbraw/zinc/70/39/55/497703955.db2.gz WYNPOTABAQXYOO-AZUAARDMSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H](NCCc1nnc2n1CCCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695451 497703958 /nfs/dbraw/zinc/70/39/58/497703958.db2.gz WYNPOTABAQXYOO-AZUAARDMSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1=CCN(C)CC1 ZINC000272721686 497711992 /nfs/dbraw/zinc/71/19/92/497711992.db2.gz JFJFWRQYMBPSJD-IAGOWNOFSA-N 1 3 358.530 3.065 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246409116 497724558 /nfs/dbraw/zinc/72/45/58/497724558.db2.gz DYTCHRQKVKHOJN-CWJKEVGVSA-N 1 3 372.557 3.212 20 0 FGADHO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1OCCN1CCCC1 ZINC000194673330 497735908 /nfs/dbraw/zinc/73/59/08/497735908.db2.gz UIVOCZVVDOOEQF-UHFFFAOYSA-N 1 3 371.525 3.283 20 0 FGADHO CCCCOc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC ZINC000268399663 497741406 /nfs/dbraw/zinc/74/14/06/497741406.db2.gz BSFXCEXKTPDOJV-UHFFFAOYSA-N 1 3 364.530 3.199 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000272854472 497745436 /nfs/dbraw/zinc/74/54/36/497745436.db2.gz IGQDMQSILKNYBH-UTKZUKDTSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000272854472 497745440 /nfs/dbraw/zinc/74/54/40/497745440.db2.gz IGQDMQSILKNYBH-UTKZUKDTSA-N 1 3 354.494 3.421 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780528 /nfs/dbraw/zinc/78/05/28/497780528.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780532 /nfs/dbraw/zinc/78/05/32/497780532.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000246583445 497781614 /nfs/dbraw/zinc/78/16/14/497781614.db2.gz YTMAKLPQQXFEJQ-IWMITWMQSA-N 1 3 359.514 3.064 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000246667855 497797437 /nfs/dbraw/zinc/79/74/37/497797437.db2.gz UVSZMWGZJIXJGP-DCCYDQLOSA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000280818568 497909433 /nfs/dbraw/zinc/90/94/33/497909433.db2.gz JUSGJEYNQLIWTN-UHFFFAOYSA-N 1 3 371.569 3.045 20 0 FGADHO CC[N@@H+](Cc1ccc2c(c1)CNCC2)CC1CCN(c2ccccn2)CC1 ZINC000572413810 505963667 /nfs/dbraw/zinc/96/36/67/505963667.db2.gz VUDZPKKIWRGNOU-UHFFFAOYSA-N 1 3 364.537 3.466 20 0 FGADHO CC[N@H+](Cc1ccc2c(c1)CNCC2)CC1CCN(c2ccccn2)CC1 ZINC000572413810 505963668 /nfs/dbraw/zinc/96/36/68/505963668.db2.gz VUDZPKKIWRGNOU-UHFFFAOYSA-N 1 3 364.537 3.466 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558643 505963924 /nfs/dbraw/zinc/96/39/24/505963924.db2.gz BSJCDBMOGJEWPS-FXAWDEMLSA-N 1 3 372.557 3.289 20 0 FGADHO CC[C@H](CO)N1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000301421925 498102527 /nfs/dbraw/zinc/10/25/27/498102527.db2.gz CYJOOIJQMOOTQU-CQSZACIVSA-N 1 3 365.424 3.038 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402590 505979592 /nfs/dbraw/zinc/97/95/92/505979592.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402590 505979594 /nfs/dbraw/zinc/97/95/94/505979594.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364767642 498134313 /nfs/dbraw/zinc/13/43/13/498134313.db2.gz BOSMWSVQTVGLSK-QMMLZNLJSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364767642 498134319 /nfs/dbraw/zinc/13/43/19/498134319.db2.gz BOSMWSVQTVGLSK-QMMLZNLJSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696809 498298513 /nfs/dbraw/zinc/29/85/13/498298513.db2.gz FKJIFQMYQZATLC-RVKKMQEKSA-N 1 3 363.477 3.078 20 0 FGADHO Cc1ccc([C@H](NCCCN2CCN(C(C)C)CC2)c2ccccn2)cc1 ZINC000282032410 498365898 /nfs/dbraw/zinc/36/58/98/498365898.db2.gz KYKBOSRRJSBUEH-QHCPKHFHSA-N 1 3 366.553 3.485 20 0 FGADHO Cc1ccc([C@H](NCCCN2CC[NH+](C(C)C)CC2)c2ccccn2)cc1 ZINC000282032410 498365900 /nfs/dbraw/zinc/36/59/00/498365900.db2.gz KYKBOSRRJSBUEH-QHCPKHFHSA-N 1 3 366.553 3.485 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000361717103 498423162 /nfs/dbraw/zinc/42/31/62/498423162.db2.gz AXUIBBQJUFXXSI-WAXPSYRMSA-N 1 3 361.555 3.168 20 0 FGADHO CCCN1CCN(C2CCN(c3ccnc4cc(F)ccc43)CC2)CC1 ZINC000361829329 498436374 /nfs/dbraw/zinc/43/63/74/498436374.db2.gz IQLRDYRMKYZNDF-UHFFFAOYSA-N 1 3 356.489 3.370 20 0 FGADHO CCCN1CC[NH+](C2CCN(c3ccnc4cc(F)ccc43)CC2)CC1 ZINC000361829329 498436383 /nfs/dbraw/zinc/43/63/83/498436383.db2.gz IQLRDYRMKYZNDF-UHFFFAOYSA-N 1 3 356.489 3.370 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307749 498461434 /nfs/dbraw/zinc/46/14/34/498461434.db2.gz MUNKPBIIPBMRKV-GOSISDBHSA-N 1 3 352.526 3.425 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953241 506040306 /nfs/dbraw/zinc/04/03/06/506040306.db2.gz MBLZVMJFLDAPMF-KIZRIRGWSA-N 1 3 372.553 3.461 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860729 498478627 /nfs/dbraw/zinc/47/86/27/498478627.db2.gz YMNASNLYAAFDEK-NUJGCVRESA-N 1 3 372.513 3.245 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860729 498478637 /nfs/dbraw/zinc/47/86/37/498478637.db2.gz YMNASNLYAAFDEK-NUJGCVRESA-N 1 3 372.513 3.245 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCc3cccc(OC)c3)CC2)CC1 ZINC000365570278 498537822 /nfs/dbraw/zinc/53/78/22/498537822.db2.gz NMLWYOLIPCMVSE-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000581824494 506067910 /nfs/dbraw/zinc/06/79/10/506067910.db2.gz MULHUJFFPFNEEX-QWHCGFSZSA-N 1 3 368.909 3.060 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000303485517 498679744 /nfs/dbraw/zinc/67/97/44/498679744.db2.gz QYUWGBGXRUBGHW-FQEVSTJZSA-N 1 3 374.573 3.318 20 0 FGADHO CCOCCOCc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298223330 498700402 /nfs/dbraw/zinc/70/04/02/498700402.db2.gz APINXOVKKRXYOC-UHFFFAOYSA-N 1 3 369.509 3.393 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260485 498732916 /nfs/dbraw/zinc/73/29/16/498732916.db2.gz WSPYAOAXNLXMEQ-BDTNDASRSA-N 1 3 367.537 3.229 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260485 498732924 /nfs/dbraw/zinc/73/29/24/498732924.db2.gz WSPYAOAXNLXMEQ-BDTNDASRSA-N 1 3 367.537 3.229 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CN1CCCC1 ZINC000320698301 498808697 /nfs/dbraw/zinc/80/86/97/498808697.db2.gz HVJRKOXHELPCKW-HIFRSBDPSA-N 1 3 361.313 3.055 20 0 FGADHO CCOc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1O ZINC000298591899 498823599 /nfs/dbraw/zinc/82/35/99/498823599.db2.gz YMQDUSMGQOWBDG-UHFFFAOYSA-N 1 3 370.493 3.037 20 0 FGADHO OC1(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692510 498839319 /nfs/dbraw/zinc/83/93/19/498839319.db2.gz WTLMVABSGNTKKF-FDFHNCONSA-N 1 3 372.553 3.198 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000579128762 506100379 /nfs/dbraw/zinc/10/03/79/506100379.db2.gz NDGDFHGNWADABG-SFHVURJKSA-N 1 3 365.521 3.404 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000363788812 498993997 /nfs/dbraw/zinc/99/39/97/498993997.db2.gz YCZJUKVZTNXMFM-QZTJIDSGSA-N 1 3 369.557 3.152 20 0 FGADHO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](CCCN2CCCC2)CC1 ZINC000366893752 499108643 /nfs/dbraw/zinc/10/86/43/499108643.db2.gz BPPNGHYJNQVWHU-NRFANRHFSA-N 1 3 361.574 3.366 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000367042127 499138707 /nfs/dbraw/zinc/13/87/07/499138707.db2.gz DMBQRJYJRXEORQ-JOCHJYFZSA-N 1 3 359.558 3.160 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892261 499146590 /nfs/dbraw/zinc/14/65/90/499146590.db2.gz LPEKFJOXIFFIIZ-RXVVDRJESA-N 1 3 372.557 3.084 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892261 499146593 /nfs/dbraw/zinc/14/65/93/499146593.db2.gz LPEKFJOXIFFIIZ-RXVVDRJESA-N 1 3 372.557 3.084 20 0 FGADHO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199370 499160453 /nfs/dbraw/zinc/16/04/53/499160453.db2.gz JJSBDNGCNVMEGZ-QZTJIDSGSA-N 1 3 373.541 3.069 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209986 499162511 /nfs/dbraw/zinc/16/25/11/499162511.db2.gz YLAALSIWICMWBU-AUUYWEPGSA-N 1 3 350.453 3.195 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209986 499162512 /nfs/dbraw/zinc/16/25/12/499162512.db2.gz YLAALSIWICMWBU-AUUYWEPGSA-N 1 3 350.453 3.195 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000370650848 499240016 /nfs/dbraw/zinc/24/00/16/499240016.db2.gz GMFJCEBBOPRUAI-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO Cn1cc(-c2ccccc2CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197492 506140878 /nfs/dbraw/zinc/14/08/78/506140878.db2.gz DBVQSQJAKYYGMK-GMAHTHKFSA-N 1 3 374.488 3.433 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026070 499256810 /nfs/dbraw/zinc/25/68/10/499256810.db2.gz ZVLZFUIPBGNNQK-IRNNPGBSSA-N 1 3 368.525 3.425 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370908658 499269692 /nfs/dbraw/zinc/26/96/92/499269692.db2.gz GVOZCXFOMFVAOT-LJQANCHMSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370908658 499269694 /nfs/dbraw/zinc/26/96/94/499269694.db2.gz GVOZCXFOMFVAOT-LJQANCHMSA-N 1 3 369.553 3.374 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O2 ZINC000368363062 499288802 /nfs/dbraw/zinc/28/88/02/499288802.db2.gz QZSURHYWBFMROE-ICSRJNTNSA-N 1 3 374.525 3.007 20 0 FGADHO C[C@@H]1CN(CCOc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301590 499307409 /nfs/dbraw/zinc/30/74/09/499307409.db2.gz GIUNLJFRXJMONS-DENIHFKCSA-N 1 3 367.537 3.176 20 0 FGADHO CN(C(=O)CC1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368697783 499323096 /nfs/dbraw/zinc/32/30/96/499323096.db2.gz CCBFWLJALMHADC-CBQGHPETSA-N 1 3 369.553 3.372 20 0 FGADHO CN(C(=O)CC1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368697783 499323097 /nfs/dbraw/zinc/32/30/97/499323097.db2.gz CCBFWLJALMHADC-CBQGHPETSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000369062600 499361601 /nfs/dbraw/zinc/36/16/01/499361601.db2.gz HRIYWHJSVGEYKF-MAUKXSAKSA-N 1 3 369.475 3.395 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000369153102 499371560 /nfs/dbraw/zinc/37/15/60/499371560.db2.gz BNFOZIMBFLMISF-UHFFFAOYSA-N 1 3 373.585 3.128 20 0 FGADHO Cc1oc(-c2ccccc2)nc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369609 499425415 /nfs/dbraw/zinc/42/54/15/499425415.db2.gz NBLBGJCLAPJHJL-HXUWFJFHSA-N 1 3 368.525 3.250 20 0 FGADHO CN(Cc1csc(C(C)(C)C)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373216468 499457863 /nfs/dbraw/zinc/45/78/63/499457863.db2.gz MINYFQNGBKZYSX-QGZVFWFLSA-N 1 3 350.576 3.041 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1OC ZINC000373523752 499474918 /nfs/dbraw/zinc/47/49/18/499474918.db2.gz QFKXLNGRDHJANV-IVMQYODDSA-N 1 3 362.514 3.388 20 0 FGADHO c1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(CN2CCC[C@@]23CCOC3)c1 ZINC000375278190 499502387 /nfs/dbraw/zinc/50/23/87/499502387.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(CN2CCC[C@@]23CCOC3)c1 ZINC000375278190 499502389 /nfs/dbraw/zinc/50/23/89/499502389.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(CN2CCC[C@]23CCOC3)c1 ZINC000375278190 499502391 /nfs/dbraw/zinc/50/23/91/499502391.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(CN2CCC[C@]23CCOC3)c1 ZINC000375278190 499502393 /nfs/dbraw/zinc/50/23/93/499502393.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 1 3 356.510 3.196 20 0 FGADHO C[NH+]1CCC(O)(CNCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000397518598 499564236 /nfs/dbraw/zinc/56/42/36/499564236.db2.gz TZFNURTWGSBUGY-UHFFFAOYSA-N 1 3 357.479 3.103 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959362 499565768 /nfs/dbraw/zinc/56/57/68/499565768.db2.gz DCWQVHBKICWDCE-NNWRFLSQSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959362 499565769 /nfs/dbraw/zinc/56/57/69/499565769.db2.gz DCWQVHBKICWDCE-NNWRFLSQSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccccc1F ZINC000398001315 499565860 /nfs/dbraw/zinc/56/58/60/499565860.db2.gz WEAWWFCPBMUIQM-SLYNCCJLSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccccc1F ZINC000398001315 499565862 /nfs/dbraw/zinc/56/58/62/499565862.db2.gz WEAWWFCPBMUIQM-SLYNCCJLSA-N 1 3 372.484 3.066 20 0 FGADHO COc1ccc2cc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246762 499673740 /nfs/dbraw/zinc/67/37/40/499673740.db2.gz WIYXZDRHLZFZMI-JPYJTQIMSA-N 1 3 367.537 3.306 20 0 FGADHO CN(Cc1cnc(-c2ccco2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623095 499711725 /nfs/dbraw/zinc/71/17/25/499711725.db2.gz DTGIUTVHCLRXKJ-INIZCTEOSA-N 1 3 360.527 3.003 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377704747 499723059 /nfs/dbraw/zinc/72/30/59/499723059.db2.gz WNKNYEHSTYGZPC-YZGWKJHDSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377704747 499723061 /nfs/dbraw/zinc/72/30/61/499723061.db2.gz WNKNYEHSTYGZPC-YZGWKJHDSA-N 1 3 370.493 3.204 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817991 499738102 /nfs/dbraw/zinc/73/81/02/499738102.db2.gz DIBXQFLCCJGORA-BDTNDASRSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817991 499738104 /nfs/dbraw/zinc/73/81/04/499738104.db2.gz DIBXQFLCCJGORA-BDTNDASRSA-N 1 3 363.505 3.123 20 0 FGADHO CSc1ccc(OC[C@H](O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000411434271 499739875 /nfs/dbraw/zinc/73/98/75/499739875.db2.gz ZNYCVVHPZKHGBI-GOSISDBHSA-N 1 3 366.571 3.202 20 0 FGADHO CC(C)C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414184896 499766991 /nfs/dbraw/zinc/76/69/91/499766991.db2.gz GAKCIJOKXPOYSG-GOSISDBHSA-N 1 3 365.587 3.222 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2s1 ZINC000414199144 499767786 /nfs/dbraw/zinc/76/77/86/499767786.db2.gz QSFHJCCMDFYHBU-QGZVFWFLSA-N 1 3 373.566 3.349 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2s1 ZINC000414199143 499767947 /nfs/dbraw/zinc/76/79/47/499767947.db2.gz QSFHJCCMDFYHBU-KRWDZBQOSA-N 1 3 373.566 3.349 20 0 FGADHO CC(C)c1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414205825 499768347 /nfs/dbraw/zinc/76/83/47/499768347.db2.gz XSVAMYICPFLKEE-IBGZPJMESA-N 1 3 359.558 3.257 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414324913 499778037 /nfs/dbraw/zinc/77/80/37/499778037.db2.gz LDWVCROSEAMLMJ-OAHLLOKOSA-N 1 3 357.523 3.296 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(F)cc1 ZINC000414330086 499778395 /nfs/dbraw/zinc/77/83/95/499778395.db2.gz RLBVLLAWPPIQIS-MRXNPFEDSA-N 1 3 369.484 3.374 20 0 FGADHO Cc1ccc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nn1 ZINC000414365701 499781402 /nfs/dbraw/zinc/78/14/02/499781402.db2.gz NATNUKXEUFYWEU-ROUUACIJSA-N 1 3 368.525 3.084 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000411731401 499783973 /nfs/dbraw/zinc/78/39/73/499783973.db2.gz BBVUNHBKLSJADV-HNNXBMFYSA-N 1 3 357.473 3.230 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000414443652 499793056 /nfs/dbraw/zinc/79/30/56/499793056.db2.gz ODRMYFPYIRSFAT-GOSISDBHSA-N 1 3 356.489 3.484 20 0 FGADHO OC1(C[NH2+]CCCCOc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000414523429 499802978 /nfs/dbraw/zinc/80/29/78/499802978.db2.gz ICTASSZLWZUJCH-UHFFFAOYSA-N 1 3 368.521 3.462 20 0 FGADHO COc1ccccc1/C=C/C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414557018 499808755 /nfs/dbraw/zinc/80/87/55/499808755.db2.gz ZHWCMCWDOHIRDG-YRNVUSSQSA-N 1 3 366.505 3.325 20 0 FGADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000414558950 499809175 /nfs/dbraw/zinc/80/91/75/499809175.db2.gz TYASXLRHIZHBJM-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997463 499811546 /nfs/dbraw/zinc/81/15/46/499811546.db2.gz IAMLXJHOLZDUSK-SFTDATJTSA-N 1 3 357.542 3.245 20 0 FGADHO C[NH2+]CC1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414664357 499818380 /nfs/dbraw/zinc/81/83/80/499818380.db2.gz CHWRUXZHIOOCSR-UHFFFAOYSA-N 1 3 353.514 3.492 20 0 FGADHO [NH3+]CC(=O)N1CCC[C@@H](CN(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709019 499821826 /nfs/dbraw/zinc/82/18/26/499821826.db2.gz QUNAEMGOFFTROX-IBGZPJMESA-N 1 3 369.484 3.025 20 0 FGADHO COC(=O)[C@@H]1CSCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084539 499822014 /nfs/dbraw/zinc/82/20/14/499822014.db2.gz TXNXFJRYRFSBEA-IBGZPJMESA-N 1 3 362.539 3.011 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412145879 499827944 /nfs/dbraw/zinc/82/79/44/499827944.db2.gz DJZOUGGKUHUQCR-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412145879 499827946 /nfs/dbraw/zinc/82/79/46/499827946.db2.gz DJZOUGGKUHUQCR-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO COc1ccc(Br)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788509 499831452 /nfs/dbraw/zinc/83/14/52/499831452.db2.gz WTVPPHCUVHPUAR-UONOGXRCSA-N 1 3 353.304 3.279 20 0 FGADHO Clc1cccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)c1 ZINC000414883011 499841349 /nfs/dbraw/zinc/84/13/49/499841349.db2.gz SVONKGBOIIHWMK-UHFFFAOYSA-N 1 3 355.873 3.395 20 0 FGADHO Cc1nc(COc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2)no1 ZINC000573288358 506161650 /nfs/dbraw/zinc/16/16/50/506161650.db2.gz XVRSMDSAJRELNG-JWTNVVGKSA-N 1 3 356.470 3.014 20 0 FGADHO Cc1nc(COc2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2)no1 ZINC000573288358 506161654 /nfs/dbraw/zinc/16/16/54/506161654.db2.gz XVRSMDSAJRELNG-JWTNVVGKSA-N 1 3 356.470 3.014 20 0 FGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945547 499847672 /nfs/dbraw/zinc/84/76/72/499847672.db2.gz RVOQVRVTKMZDNO-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO COc1ccc(OCc2nc(CNC[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414993761 499852600 /nfs/dbraw/zinc/85/26/00/499852600.db2.gz CNTAVCYWZLVANQ-LSDHHAIUSA-N 1 3 361.511 3.338 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004494 499854144 /nfs/dbraw/zinc/85/41/44/499854144.db2.gz OGAJXYKSZNZBQL-SWLSCSKDSA-N 1 3 363.303 3.446 20 0 FGADHO CC[C@@H](CCc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000415045222 499857676 /nfs/dbraw/zinc/85/76/76/499857676.db2.gz TUFGICIIDWYIBK-DLBZAZTESA-N 1 3 355.320 3.128 20 0 FGADHO c1csc(-c2nc(CNC3CCC([NH+]4CCNCC4)CC3)cs2)c1 ZINC000415051993 499858656 /nfs/dbraw/zinc/85/86/56/499858656.db2.gz KKNGHBOBZYUICT-UHFFFAOYSA-N 1 3 362.568 3.178 20 0 FGADHO C[C@@H]1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@]1(C)C[NH3+] ZINC000415059050 499859385 /nfs/dbraw/zinc/85/93/85/499859385.db2.gz WUFRQAWSWAMSPK-CXAGYDPISA-N 1 3 352.404 3.308 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@]1(C)CN ZINC000415059050 499859387 /nfs/dbraw/zinc/85/93/87/499859387.db2.gz WUFRQAWSWAMSPK-CXAGYDPISA-N 1 3 352.404 3.308 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@]1(C)CN ZINC000415059050 499859388 /nfs/dbraw/zinc/85/93/88/499859388.db2.gz WUFRQAWSWAMSPK-CXAGYDPISA-N 1 3 352.404 3.308 20 0 FGADHO c1ccc([C@@H]2C[C@@H](NCc3ccccc3CN3CCOCC3)CC[NH2+]2)cc1 ZINC000415077321 499861217 /nfs/dbraw/zinc/86/12/17/499861217.db2.gz HMSJZYNZFKLWQQ-GOTSBHOMSA-N 1 3 365.521 3.102 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415091427 499862334 /nfs/dbraw/zinc/86/23/34/499862334.db2.gz ZFLCQUAQWYOMOK-OTWHNJEPSA-N 1 3 354.498 3.352 20 0 FGADHO [NH3+]C1(CNCc2cc(F)c(F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000415136290 499869172 /nfs/dbraw/zinc/86/91/72/499869172.db2.gz RJTWJLOHWDKSSE-UHFFFAOYSA-N 1 3 363.427 3.187 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000415911157 499927367 /nfs/dbraw/zinc/92/73/67/499927367.db2.gz XHZWZJARYCUMKQ-QGZVFWFLSA-N 1 3 354.498 3.438 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960582 499933524 /nfs/dbraw/zinc/93/35/24/499933524.db2.gz QIIHHJOFAVGVIL-CZUORRHYSA-N 1 3 370.419 3.112 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960582 499933525 /nfs/dbraw/zinc/93/35/25/499933525.db2.gz QIIHHJOFAVGVIL-CZUORRHYSA-N 1 3 370.419 3.112 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000415960249 499933547 /nfs/dbraw/zinc/93/35/47/499933547.db2.gz UTPAIGSFENTZAI-QGZVFWFLSA-N 1 3 354.498 3.438 20 0 FGADHO [NH3+]Cc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000415960970 499934085 /nfs/dbraw/zinc/93/40/85/499934085.db2.gz CQOGOAWZHPPBAM-MRXNPFEDSA-N 1 3 370.419 3.256 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971255 499935746 /nfs/dbraw/zinc/93/57/46/499935746.db2.gz GFTHUBPQLCQQIX-JXFKEZNVSA-N 1 3 352.482 3.320 20 0 FGADHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415975247 499936309 /nfs/dbraw/zinc/93/63/09/499936309.db2.gz SJZUNTBRQHFRJO-LBPRGKRZSA-N 1 3 358.408 3.018 20 0 FGADHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415975247 499936311 /nfs/dbraw/zinc/93/63/11/499936311.db2.gz SJZUNTBRQHFRJO-LBPRGKRZSA-N 1 3 358.408 3.018 20 0 FGADHO [NH3+]Cc1cc(NC(=O)N2CCN(C3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415979267 499936465 /nfs/dbraw/zinc/93/64/65/499936465.db2.gz ZTJYCHYXCUPAKQ-UHFFFAOYSA-N 1 3 370.419 3.256 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972564 /nfs/dbraw/zinc/97/25/64/499972564.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972565 /nfs/dbraw/zinc/97/25/65/499972565.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291944 500030146 /nfs/dbraw/zinc/03/01/46/500030146.db2.gz BONWQYSRKZTOMJ-BBRMVZONSA-N 1 3 374.451 3.077 20 0 FGADHO COc1cc(CNC2CCC([NH+](C)C)CC2)c(Br)cc1O ZINC000421373935 500031383 /nfs/dbraw/zinc/03/13/83/500031383.db2.gz OCUGUYOQIYFMFZ-UHFFFAOYSA-N 1 3 357.292 3.126 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429412911 500073234 /nfs/dbraw/zinc/07/32/34/500073234.db2.gz QUDVBVQKZQWTJY-MRXNPFEDSA-N 1 3 369.347 3.064 20 0 FGADHO CC[C@@H](C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000413858067 500078350 /nfs/dbraw/zinc/07/83/50/500078350.db2.gz LXWAECBHNBRJFZ-SFTDATJTSA-N 1 3 371.569 3.476 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000429478543 500084732 /nfs/dbraw/zinc/08/47/32/500084732.db2.gz TVODDRFIRKIQHG-KRWDZBQOSA-N 1 3 351.494 3.235 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413920540 500095104 /nfs/dbraw/zinc/09/51/04/500095104.db2.gz VUGDKSWIEXAMAU-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537153 500100235 /nfs/dbraw/zinc/10/02/35/500100235.db2.gz CPKXFPHIKWNIOF-FXAWDEMLSA-N 1 3 360.546 3.229 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537153 500100239 /nfs/dbraw/zinc/10/02/39/500100239.db2.gz CPKXFPHIKWNIOF-FXAWDEMLSA-N 1 3 360.546 3.229 20 0 FGADHO CN(CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874316 500144671 /nfs/dbraw/zinc/14/46/71/500144671.db2.gz PIERSMKDQORVGZ-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417699175 500151618 /nfs/dbraw/zinc/15/16/18/500151618.db2.gz YWVXHMDXDWLBCG-SFHVURJKSA-N 1 3 372.557 3.243 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818347 500158622 /nfs/dbraw/zinc/15/86/22/500158622.db2.gz AGJGMYOGHLZYCJ-INIZCTEOSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccncc1Cl ZINC000421839498 500162020 /nfs/dbraw/zinc/16/20/20/500162020.db2.gz XEIOYRNBJHTOSV-MRXNPFEDSA-N 1 3 350.938 3.336 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000417835738 500181345 /nfs/dbraw/zinc/18/13/45/500181345.db2.gz LDHMYGSWROQHAY-JRGCBEDISA-N 1 3 372.557 3.246 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151218 500238019 /nfs/dbraw/zinc/23/80/19/500238019.db2.gz FGKWSCOZKGFSFR-VQTJNVASSA-N 1 3 372.557 3.058 20 0 FGADHO CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422246745 500240919 /nfs/dbraw/zinc/24/09/19/500240919.db2.gz UFTYMWVGZIKBRN-XVAXZDLZSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418188234 500245522 /nfs/dbraw/zinc/24/55/22/500245522.db2.gz GEPSLVCXNKINID-UTKZUKDTSA-N 1 3 374.573 3.257 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298931 500260124 /nfs/dbraw/zinc/26/01/24/500260124.db2.gz RBAFAVMKPVIZPG-UYAOXDASSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321787 500261604 /nfs/dbraw/zinc/26/16/04/500261604.db2.gz CQOAGGMKEMQPHB-RTWAWAEBSA-N 1 3 372.557 3.183 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635306 500264826 /nfs/dbraw/zinc/26/48/26/500264826.db2.gz VACPBGMCFLFGSL-VXGBXAGGSA-N 1 3 358.313 3.230 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418350107 500266509 /nfs/dbraw/zinc/26/65/09/500266509.db2.gz QPVDRDFTONZCDT-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418377340 500270232 /nfs/dbraw/zinc/27/02/32/500270232.db2.gz BGWCNPDOYVPSCI-WQUXRXDGSA-N 1 3 358.530 3.123 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000418466323 500280216 /nfs/dbraw/zinc/28/02/16/500280216.db2.gz RAJKCPWGPKODET-HNNXBMFYSA-N 1 3 360.527 3.041 20 0 FGADHO NC[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccc2ccccc2c1 ZINC000418498608 500284523 /nfs/dbraw/zinc/28/45/23/500284523.db2.gz KFAOBDQCKFUILF-OAQYLSRUSA-N 1 3 368.525 3.390 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422702433 500287300 /nfs/dbraw/zinc/28/73/00/500287300.db2.gz KRNOEQPBOCUPPO-OKZBNKHCSA-N 1 3 368.443 3.484 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705240 500287507 /nfs/dbraw/zinc/28/75/07/500287507.db2.gz RCTAZOBFUDAVIH-KZNAEPCWSA-N 1 3 362.514 3.155 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705924 500287533 /nfs/dbraw/zinc/28/75/33/500287533.db2.gz DBMZBCOEHMSXGU-CRAIPNDOSA-N 1 3 355.448 3.387 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714063 500288499 /nfs/dbraw/zinc/28/84/99/500288499.db2.gz QNVJUEXPQHSYRE-VWPQPMDRSA-N 1 3 369.484 3.274 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NCCSCCOc1cccc(Br)c1 ZINC000422716898 500289104 /nfs/dbraw/zinc/28/91/04/500289104.db2.gz UVHUDQOFQRGXSI-CHWSQXEVSA-N 1 3 361.349 3.277 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720097 500289982 /nfs/dbraw/zinc/28/99/82/500289982.db2.gz ZNWYTFLHGJCIBJ-FRFSOERESA-N 1 3 352.320 3.006 20 0 FGADHO CSc1nnc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734108 500291279 /nfs/dbraw/zinc/29/12/79/500291279.db2.gz RVPCAQKWUGBMIG-BBWFWOEESA-N 1 3 365.591 3.099 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N1CCCC1 ZINC000422749487 500293881 /nfs/dbraw/zinc/29/38/81/500293881.db2.gz ZKKWPSCLECKRGN-COPCDDAFSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCCC1 ZINC000422749487 500293882 /nfs/dbraw/zinc/29/38/82/500293882.db2.gz ZKKWPSCLECKRGN-COPCDDAFSA-N 1 3 367.537 3.380 20 0 FGADHO CN(CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758706 500294363 /nfs/dbraw/zinc/29/43/63/500294363.db2.gz KPCWEUSJYPULLC-UNMCSNQZSA-N 1 3 351.494 3.358 20 0 FGADHO c1ccc(CN2CC[C@H](N[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772061 500296114 /nfs/dbraw/zinc/29/61/14/500296114.db2.gz YCJJIYGADBKWGG-RRPUWOKSSA-N 1 3 363.505 3.106 20 0 FGADHO CS(=O)(=O)c1cccc([C@H](NC2CCC(C[NH3+])CC2)c2ccccc2)c1 ZINC000422798413 500299114 /nfs/dbraw/zinc/29/91/14/500299114.db2.gz QYHGERFAUXQYDA-VFIGECHUSA-N 1 3 372.534 3.287 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2c(OC)ccc3ccccc32)CC[NH2+]CC1 ZINC000422800296 500299534 /nfs/dbraw/zinc/29/95/34/500299534.db2.gz BCKBPUVBMRHUCS-MRXNPFEDSA-N 1 3 370.493 3.259 20 0 FGADHO COc1ccc([C@@H](NCc2cccc(CN(C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422810072 500301025 /nfs/dbraw/zinc/30/10/25/500301025.db2.gz RBUOIMHLMLDVRP-FGZHOGPDSA-N 1 3 353.510 3.340 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879792 500309565 /nfs/dbraw/zinc/30/95/65/500309565.db2.gz MQJMNAIODBERFK-VBNZEHGJSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1cccc(Br)c1 ZINC000422879792 500309567 /nfs/dbraw/zinc/30/95/67/500309567.db2.gz MQJMNAIODBERFK-VBNZEHGJSA-N 1 3 355.320 3.069 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707348 500310218 /nfs/dbraw/zinc/31/02/18/500310218.db2.gz BOKDUFDWSTYONO-SJORKVTESA-N 1 3 352.567 3.046 20 0 FGADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903403 500313899 /nfs/dbraw/zinc/31/38/99/500313899.db2.gz OMRMMGSABLHUPM-HGSOSGBHSA-N 1 3 371.569 3.308 20 0 FGADHO COc1ccc(C2(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422905901 500314726 /nfs/dbraw/zinc/31/47/26/500314726.db2.gz ZSRTVTKXFKYVTQ-NHCUHLMSSA-N 1 3 352.478 3.478 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nc(-c2ccncc2)cs1 ZINC000422907981 500314879 /nfs/dbraw/zinc/31/48/79/500314879.db2.gz CNRDFWUFDBSMAM-YJBOKZPZSA-N 1 3 352.507 3.296 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952642 500323382 /nfs/dbraw/zinc/32/33/82/500323382.db2.gz BTEQAAPJWRUWSR-HNNXBMFYSA-N 1 3 373.545 3.006 20 0 FGADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]3CN3CCCCC3)ccc21 ZINC000431036893 500326993 /nfs/dbraw/zinc/32/69/93/500326993.db2.gz HCYMINNJLOIXCH-HXUWFJFHSA-N 1 3 368.525 3.081 20 0 FGADHO OCC1CCN(Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422984163 500327436 /nfs/dbraw/zinc/32/74/36/500327436.db2.gz XFHKTSNMBQLAKE-BHDDXSALSA-N 1 3 357.542 3.224 20 0 FGADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021905 500332592 /nfs/dbraw/zinc/33/25/92/500332592.db2.gz GNQBASZQAUYNSU-VXGBXAGGSA-N 1 3 367.209 3.316 20 0 FGADHO COCC[C@H](Cc1ccco1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035521 500333609 /nfs/dbraw/zinc/33/36/09/500333609.db2.gz RRKJQOIZOMNAOZ-PBEJRMEISA-N 1 3 356.466 3.073 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047834 500335345 /nfs/dbraw/zinc/33/53/45/500335345.db2.gz HGJIWASLAFQPNA-GUYCJALGSA-N 1 3 369.431 3.027 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423049365 500335564 /nfs/dbraw/zinc/33/55/64/500335564.db2.gz JSUUROQOHAPTGC-YOEHRIQHSA-N 1 3 367.415 3.113 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060405 500336741 /nfs/dbraw/zinc/33/67/41/500336741.db2.gz IBHHNNMQIJHAAE-AOMKIAJQSA-N 1 3 352.526 3.410 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423073792 500338686 /nfs/dbraw/zinc/33/86/86/500338686.db2.gz JWAFDKKQVHIDRP-KEIZBESESA-N 1 3 370.512 3.448 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079700 500339673 /nfs/dbraw/zinc/33/96/73/500339673.db2.gz YQQRDVNUNIJEOH-ILRDRHFLSA-N 1 3 370.459 3.155 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423083423 500339756 /nfs/dbraw/zinc/33/97/56/500339756.db2.gz GAGIVXUMKTUGFK-YOODTLSXSA-N 1 3 369.475 3.340 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154053 500349240 /nfs/dbraw/zinc/34/92/40/500349240.db2.gz IOVKQKSMGULPKS-SMDDNHRTSA-N 1 3 370.415 3.002 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423160679 500349744 /nfs/dbraw/zinc/34/97/44/500349744.db2.gz MOVLCBMVFYOPAZ-QGTPRVQTSA-N 1 3 369.347 3.158 20 0 FGADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182898 500352441 /nfs/dbraw/zinc/35/24/41/500352441.db2.gz LYRYSAUJCVATPJ-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO Brc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199038 500354268 /nfs/dbraw/zinc/35/42/68/500354268.db2.gz AHYWLTDHMSIGOC-IBGZPJMESA-N 1 3 374.326 3.033 20 0 FGADHO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1Cc1ccccc1 ZINC000427152500 500360074 /nfs/dbraw/zinc/36/00/74/500360074.db2.gz KEMIVMLDPKVOPG-ICSRJNTNSA-N 1 3 357.542 3.278 20 0 FGADHO CCc1ccc([C@H](CNC(=O)c2ccccc2CC[NH2+]C)N(C)C)cc1 ZINC000423316320 500363120 /nfs/dbraw/zinc/36/31/20/500363120.db2.gz ZYCVRHFOWINVJB-NRFANRHFSA-N 1 3 353.510 3.044 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000423311993 500363184 /nfs/dbraw/zinc/36/31/84/500363184.db2.gz UUYRYXVPMRIFMP-SFHVURJKSA-N 1 3 357.523 3.077 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000423316199 500363555 /nfs/dbraw/zinc/36/35/55/500363555.db2.gz ASAGLRISZCLTKD-LAUBAEHRSA-N 1 3 351.494 3.443 20 0 FGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423356633 500366603 /nfs/dbraw/zinc/36/66/03/500366603.db2.gz QZFFFEIYVOKNSQ-SNVBAGLBSA-N 1 3 360.214 3.001 20 0 FGADHO C[C@H]1C[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384174 500368828 /nfs/dbraw/zinc/36/88/28/500368828.db2.gz JXTDRPXPUKBSFT-WCFLWFBJSA-N 1 3 365.490 3.099 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000423384785 500369113 /nfs/dbraw/zinc/36/91/13/500369113.db2.gz QMMUFUYQXUJFBM-QGZVFWFLSA-N 1 3 351.494 3.443 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423393615 500369323 /nfs/dbraw/zinc/36/93/23/500369323.db2.gz QQLSKCYMUYOYKU-OAHLLOKOSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423393615 500369327 /nfs/dbraw/zinc/36/93/27/500369327.db2.gz QQLSKCYMUYOYKU-OAHLLOKOSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1I ZINC000423421870 500373732 /nfs/dbraw/zinc/37/37/32/500373732.db2.gz BDEMGAHCCSQWRG-DIOULYMOSA-N 1 3 370.278 3.330 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542712 506192063 /nfs/dbraw/zinc/19/20/63/506192063.db2.gz XDKBAJCZOZDOLX-KRWDZBQOSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542712 506192064 /nfs/dbraw/zinc/19/20/64/506192064.db2.gz XDKBAJCZOZDOLX-KRWDZBQOSA-N 1 3 371.485 3.442 20 0 FGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511468 500380678 /nfs/dbraw/zinc/38/06/78/500380678.db2.gz TUOSZSMKJOHPAQ-BEFAXECRSA-N 1 3 361.511 3.189 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525244 500382378 /nfs/dbraw/zinc/38/23/78/500382378.db2.gz KGTIXZDABYKZKC-XMYZRKPFSA-N 1 3 359.489 3.286 20 0 FGADHO NC[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000423769154 500400394 /nfs/dbraw/zinc/40/03/94/500400394.db2.gz FWQMDLKRCMQWCR-FQEVSTJZSA-N 1 3 355.457 3.145 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC000431655079 500403517 /nfs/dbraw/zinc/40/35/17/500403517.db2.gz WGZZQMFTDMQPJQ-TZIWHRDSSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC000431655079 500403519 /nfs/dbraw/zinc/40/35/19/500403519.db2.gz WGZZQMFTDMQPJQ-TZIWHRDSSA-N 1 3 373.541 3.213 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC000423837063 500409667 /nfs/dbraw/zinc/40/96/67/500409667.db2.gz GNCGINCKJXAMQD-XLIONFOSSA-N 1 3 358.530 3.063 20 0 FGADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300649 500436969 /nfs/dbraw/zinc/43/69/69/500436969.db2.gz VBWHJEOBZBMCJX-PXNSSMCTSA-N 1 3 357.523 3.157 20 0 FGADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420300649 500436971 /nfs/dbraw/zinc/43/69/71/500436971.db2.gz VBWHJEOBZBMCJX-PXNSSMCTSA-N 1 3 357.523 3.157 20 0 FGADHO O=C(c1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324179 500441718 /nfs/dbraw/zinc/44/17/18/500441718.db2.gz GWVLTTJEYZNXKJ-SFTDATJTSA-N 1 3 355.526 3.134 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390447 500453952 /nfs/dbraw/zinc/45/39/52/500453952.db2.gz NKEQZZSWKBVXQE-YJBOKZPZSA-N 1 3 372.431 3.303 20 0 FGADHO CCc1nc(C)c(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000428205024 500481103 /nfs/dbraw/zinc/48/11/03/500481103.db2.gz HBLQGFZIPWDKFT-UHFFFAOYSA-N 1 3 362.562 3.174 20 0 FGADHO CC[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287627 500481941 /nfs/dbraw/zinc/48/19/41/500481941.db2.gz JERLXMPLQXHAQR-YJBOKZPZSA-N 1 3 363.933 3.371 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295862 500482544 /nfs/dbraw/zinc/48/25/44/500482544.db2.gz RLJSHSCQSBWAFG-QZTJIDSGSA-N 1 3 369.553 3.207 20 0 FGADHO CC(C)O[C@H](CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283947 500491544 /nfs/dbraw/zinc/49/15/44/500491544.db2.gz CJIMOGOEZVZOAU-BAGYTPMASA-N 1 3 359.558 3.111 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417940 500514124 /nfs/dbraw/zinc/51/41/24/500514124.db2.gz PILWFOUPBKQGQS-CVEARBPZSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417940 500514128 /nfs/dbraw/zinc/51/41/28/500514128.db2.gz PILWFOUPBKQGQS-CVEARBPZSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893463 500524059 /nfs/dbraw/zinc/52/40/59/500524059.db2.gz FBYZMWVRNLZWAP-KMFTYDHNSA-N 1 3 372.557 3.165 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200936 /nfs/dbraw/zinc/20/09/36/506200936.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200937 /nfs/dbraw/zinc/20/09/37/506200937.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 1 3 364.489 3.412 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545081 /nfs/dbraw/zinc/54/50/81/500545081.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545082 /nfs/dbraw/zinc/54/50/82/500545082.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C(C)C)C2)CC1 ZINC000432790285 500563916 /nfs/dbraw/zinc/56/39/16/500563916.db2.gz BSGXOQINXNHJDA-FQEVSTJZSA-N 1 3 371.569 3.444 20 0 FGADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049489 500613275 /nfs/dbraw/zinc/61/32/75/500613275.db2.gz VFWDDZZEIRIVPT-LJQANCHMSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783602 500625177 /nfs/dbraw/zinc/62/51/77/500625177.db2.gz QFOSKTVCFZUPQG-GQIGUUNPSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783602 500625179 /nfs/dbraw/zinc/62/51/79/500625179.db2.gz QFOSKTVCFZUPQG-GQIGUUNPSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783602 500625182 /nfs/dbraw/zinc/62/51/82/500625182.db2.gz QFOSKTVCFZUPQG-GQIGUUNPSA-N 1 3 357.523 3.013 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433316563 500670725 /nfs/dbraw/zinc/67/07/25/500670725.db2.gz ITNJREITTVNFLL-OAQYLSRUSA-N 1 3 371.500 3.409 20 0 FGADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058651 500670931 /nfs/dbraw/zinc/67/09/31/500670931.db2.gz KWOQZIGIDVLUKD-GHTZIAJQSA-N 1 3 373.541 3.200 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437634773 500672437 /nfs/dbraw/zinc/67/24/37/500672437.db2.gz KZIKBOCGPMPHAH-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437634773 500672441 /nfs/dbraw/zinc/67/24/41/500672441.db2.gz KZIKBOCGPMPHAH-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443589196 500742488 /nfs/dbraw/zinc/74/24/88/500742488.db2.gz KBVNNTLSPVKMGV-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037454 500907472 /nfs/dbraw/zinc/90/74/72/500907472.db2.gz NHONXSUFWXJKFH-JXXFODFXSA-N 1 3 351.485 3.026 20 0 FGADHO C[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037454 500907474 /nfs/dbraw/zinc/90/74/74/500907474.db2.gz NHONXSUFWXJKFH-JXXFODFXSA-N 1 3 351.485 3.026 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000449081923 500920427 /nfs/dbraw/zinc/92/04/27/500920427.db2.gz IZAVMWANSXJRIW-UHFFFAOYSA-N 1 3 359.558 3.119 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(CCc3ccccc3)s2)CC1 ZINC000449187900 500943824 /nfs/dbraw/zinc/94/38/24/500943824.db2.gz JOBRBNCUVHAJLC-UHFFFAOYSA-N 1 3 373.566 3.253 20 0 FGADHO CN(c1ccccc1CN1CCC([NH2+]CC2CC2)CC1)C1CCN(C)CC1 ZINC000435369236 500960548 /nfs/dbraw/zinc/96/05/48/500960548.db2.gz DQHIKYSQJZCHGP-UHFFFAOYSA-N 1 3 370.585 3.181 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383896 500964252 /nfs/dbraw/zinc/96/42/52/500964252.db2.gz JUWFIWIUEJMKBC-STZQEDGTSA-N 1 3 373.504 3.494 20 0 FGADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449305318 500971646 /nfs/dbraw/zinc/97/16/46/500971646.db2.gz RTLXRZVHMAQNAZ-CQSZACIVSA-N 1 3 374.356 3.376 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197896 500986231 /nfs/dbraw/zinc/98/62/31/500986231.db2.gz WVKGLCVVNPEBAF-LHQJTOJGSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197896 500986234 /nfs/dbraw/zinc/98/62/34/500986234.db2.gz WVKGLCVVNPEBAF-LHQJTOJGSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369136 500988345 /nfs/dbraw/zinc/98/83/45/500988345.db2.gz BBRJMZQPCMPSSD-KMEYYKJISA-N 1 3 370.603 3.223 20 0 FGADHO CN(c1ccccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C1CCN(C)CC1 ZINC000449507156 501020443 /nfs/dbraw/zinc/02/04/43/501020443.db2.gz LSZGDNQVHBVFQK-FYYLOGMGSA-N 1 3 371.569 3.104 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000611626145 506232924 /nfs/dbraw/zinc/23/29/24/506232924.db2.gz ZMRBHLHRAWIJIK-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000441044262 501079053 /nfs/dbraw/zinc/07/90/53/501079053.db2.gz WHCHDNYORXQZMJ-UHFFFAOYSA-N 1 3 364.578 3.206 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000449785992 501086882 /nfs/dbraw/zinc/08/68/82/501086882.db2.gz KJLSXINHFVSGQQ-OAQYLSRUSA-N 1 3 358.574 3.132 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000449785992 501086885 /nfs/dbraw/zinc/08/68/85/501086885.db2.gz KJLSXINHFVSGQQ-OAQYLSRUSA-N 1 3 358.574 3.132 20 0 FGADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339781 501094916 /nfs/dbraw/zinc/09/49/16/501094916.db2.gz BTGWUKYRMPARBL-XQBPLPMBSA-N 1 3 360.542 3.065 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1)C1CC1 ZINC000446429964 501120528 /nfs/dbraw/zinc/12/05/28/501120528.db2.gz QYGCNWFJLFAUPP-UHFFFAOYSA-N 1 3 369.509 3.468 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1)C1CC1 ZINC000446429964 501120535 /nfs/dbraw/zinc/12/05/35/501120535.db2.gz QYGCNWFJLFAUPP-UHFFFAOYSA-N 1 3 369.509 3.468 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000446564645 501133982 /nfs/dbraw/zinc/13/39/82/501133982.db2.gz LOOMBEIBCOLUJM-QGZVFWFLSA-N 1 3 360.546 3.423 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000446564645 501133986 /nfs/dbraw/zinc/13/39/86/501133986.db2.gz LOOMBEIBCOLUJM-QGZVFWFLSA-N 1 3 360.546 3.423 20 0 FGADHO COc1cc(Br)ccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884746 501176773 /nfs/dbraw/zinc/17/67/73/501176773.db2.gz QXSWYCVQHXHXAT-UHFFFAOYSA-N 1 3 353.304 3.422 20 0 FGADHO COc1c(Br)cccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884752 501177477 /nfs/dbraw/zinc/17/74/77/501177477.db2.gz RBEYBTJOBOSZGH-UHFFFAOYSA-N 1 3 353.304 3.422 20 0 FGADHO COC(=O)[C@](C)(C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000447096941 501204386 /nfs/dbraw/zinc/20/43/86/501204386.db2.gz KBAQWGKJEJBWSX-HXUWFJFHSA-N 1 3 350.478 3.109 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000450878763 501223288 /nfs/dbraw/zinc/22/32/88/501223288.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000450878763 501223289 /nfs/dbraw/zinc/22/32/89/501223289.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450878763 501223290 /nfs/dbraw/zinc/22/32/90/501223290.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 1 3 364.603 3.468 20 0 FGADHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878763 501223291 /nfs/dbraw/zinc/22/32/91/501223291.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 1 3 364.603 3.468 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453198187 501289311 /nfs/dbraw/zinc/28/93/11/501289311.db2.gz ONSFXQFXTWPYDR-QHCPKHFHSA-N 1 3 350.506 3.290 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000457898884 501331115 /nfs/dbraw/zinc/33/11/15/501331115.db2.gz KNXHGSMUIKJJGQ-UHFFFAOYSA-N 1 3 366.575 3.084 20 0 FGADHO C[N@H+](CCCCNCc1cn(-c2ccc(F)cc2Cl)nn1)C1CC1 ZINC000453601791 501358712 /nfs/dbraw/zinc/35/87/12/501358712.db2.gz VWUILSSSNAOEMP-UHFFFAOYSA-N 1 3 351.857 3.024 20 0 FGADHO C[N@@H+](CCCCNCc1cn(-c2ccc(F)cc2Cl)nn1)C1CC1 ZINC000453601791 501358715 /nfs/dbraw/zinc/35/87/15/501358715.db2.gz VWUILSSSNAOEMP-UHFFFAOYSA-N 1 3 351.857 3.024 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@H+](C)C2CC2)c(OC)c1 ZINC000453602514 501358735 /nfs/dbraw/zinc/35/87/35/501358735.db2.gz WGFNKWFRIRVPTM-UHFFFAOYSA-N 1 3 371.319 3.430 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@@H+](C)C2CC2)c(OC)c1 ZINC000453602514 501358739 /nfs/dbraw/zinc/35/87/39/501358739.db2.gz WGFNKWFRIRVPTM-UHFFFAOYSA-N 1 3 371.319 3.430 20 0 FGADHO COc1cccc([C@H]2C[C@H]([N@H+](C)CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000452010953 501418163 /nfs/dbraw/zinc/41/81/63/501418163.db2.gz CAMRKEKAULDWTH-MEMLXQNLSA-N 1 3 359.558 3.289 20 0 FGADHO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000452010953 501418166 /nfs/dbraw/zinc/41/81/66/501418166.db2.gz CAMRKEKAULDWTH-MEMLXQNLSA-N 1 3 359.558 3.289 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982403 501431719 /nfs/dbraw/zinc/43/17/19/501431719.db2.gz LOOQSEOHEVTPLO-FQEVSTJZSA-N 1 3 369.513 3.115 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982403 501431721 /nfs/dbraw/zinc/43/17/21/501431721.db2.gz LOOQSEOHEVTPLO-FQEVSTJZSA-N 1 3 369.513 3.115 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508434 501462099 /nfs/dbraw/zinc/46/20/99/501462099.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508434 501462101 /nfs/dbraw/zinc/46/21/01/501462101.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464631 /nfs/dbraw/zinc/46/46/31/501464631.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464634 /nfs/dbraw/zinc/46/46/34/501464634.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 1 3 372.557 3.021 20 0 FGADHO CC[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454447344 501547185 /nfs/dbraw/zinc/54/71/85/501547185.db2.gz FRPJWCCVAXQNKK-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569594 /nfs/dbraw/zinc/56/95/94/501569594.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569595 /nfs/dbraw/zinc/56/95/95/501569595.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619994 501593856 /nfs/dbraw/zinc/59/38/56/501593856.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619994 501593862 /nfs/dbraw/zinc/59/38/62/501593862.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646025 501600313 /nfs/dbraw/zinc/60/03/13/501600313.db2.gz PIZAEXDZFVMQPG-IRXDYDNUSA-N 1 3 352.567 3.011 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646025 501600314 /nfs/dbraw/zinc/60/03/14/501600314.db2.gz PIZAEXDZFVMQPG-IRXDYDNUSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000459398468 501646607 /nfs/dbraw/zinc/64/66/07/501646607.db2.gz ZFVDDZNSMZWFPL-UHFFFAOYSA-N 1 3 364.537 3.477 20 0 FGADHO c1cc(N2CCC([NH2+]CC3(N4CCSCC4)CCCCC3)CC2)ccn1 ZINC000459410408 501648945 /nfs/dbraw/zinc/64/89/45/501648945.db2.gz IGCWLTRTEGWJBZ-UHFFFAOYSA-N 1 3 374.598 3.392 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1SC ZINC000459414128 501649679 /nfs/dbraw/zinc/64/96/79/501649679.db2.gz PSIUDLCGARVWTI-XUVXKRRUSA-N 1 3 364.555 3.160 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457441 501701912 /nfs/dbraw/zinc/70/19/12/501701912.db2.gz NROKTAIHGSYTQO-IFMALSPDSA-N 1 3 372.557 3.197 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457441 501701913 /nfs/dbraw/zinc/70/19/13/501701913.db2.gz NROKTAIHGSYTQO-IFMALSPDSA-N 1 3 372.557 3.197 20 0 FGADHO COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000459764047 501710725 /nfs/dbraw/zinc/71/07/25/501710725.db2.gz WNIQZMUJYBRLEN-BWAGFHJFSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764047 501710727 /nfs/dbraw/zinc/71/07/27/501710727.db2.gz WNIQZMUJYBRLEN-BWAGFHJFSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764047 501710729 /nfs/dbraw/zinc/71/07/29/501710729.db2.gz WNIQZMUJYBRLEN-BWAGFHJFSA-N 1 3 368.521 3.271 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470718456 501781265 /nfs/dbraw/zinc/78/12/65/501781265.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470718456 501781268 /nfs/dbraw/zinc/78/12/68/501781268.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCCN(CCC)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000460347172 501799391 /nfs/dbraw/zinc/79/93/91/501799391.db2.gz MTMKTQWXYSDJAD-RTBURBONSA-N 1 3 359.558 3.381 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000460383392 501810003 /nfs/dbraw/zinc/81/00/03/501810003.db2.gz IAKYWFNHLFLCCQ-SBHAEUEKSA-N 1 3 368.562 3.131 20 0 FGADHO C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000477855721 501810172 /nfs/dbraw/zinc/81/01/72/501810172.db2.gz ILOXKDNQNWYRDC-PKOBYXMFSA-N 1 3 367.493 3.083 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CCC2)C1 ZINC000470867810 501835164 /nfs/dbraw/zinc/83/51/64/501835164.db2.gz GKAHFQCQAPGOKE-LJQANCHMSA-N 1 3 369.553 3.422 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1)C1CC1 ZINC000477951374 501838222 /nfs/dbraw/zinc/83/82/22/501838222.db2.gz SBXUZGUORNMKKL-UHFFFAOYSA-N 1 3 355.526 3.277 20 0 FGADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000474464891 501845275 /nfs/dbraw/zinc/84/52/75/501845275.db2.gz VGDZSZTYXFPBHP-FGZHOGPDSA-N 1 3 359.558 3.119 20 0 FGADHO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000467697913 501847359 /nfs/dbraw/zinc/84/73/59/501847359.db2.gz UQVNPKPCBHHVIJ-FQEVSTJZSA-N 1 3 369.484 3.025 20 0 FGADHO COc1cccc(OCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886045 /nfs/dbraw/zinc/88/60/45/501886045.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 1 3 352.478 3.138 20 0 FGADHO COc1cccc(OCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886050 /nfs/dbraw/zinc/88/60/50/501886050.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 1 3 352.478 3.138 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000474729809 501935933 /nfs/dbraw/zinc/93/59/33/501935933.db2.gz GTVFECFFAAGXTR-WOJBJXKFSA-N 1 3 371.569 3.309 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)c2)CC1 ZINC000474831543 501966488 /nfs/dbraw/zinc/96/64/88/501966488.db2.gz LMLHAQNGKCLSFZ-NRFANRHFSA-N 1 3 370.541 3.174 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000474831543 501966493 /nfs/dbraw/zinc/96/64/93/501966493.db2.gz LMLHAQNGKCLSFZ-NRFANRHFSA-N 1 3 370.541 3.174 20 0 FGADHO CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475163171 502087569 /nfs/dbraw/zinc/08/75/69/502087569.db2.gz FWVDKWUCRSLSSJ-ICSRJNTNSA-N 1 3 374.573 3.269 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000478808231 502092903 /nfs/dbraw/zinc/09/29/03/502092903.db2.gz UUDHHBRSQUPTNT-NRFANRHFSA-N 1 3 372.557 3.133 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000478808231 502092905 /nfs/dbraw/zinc/09/29/05/502092905.db2.gz UUDHHBRSQUPTNT-NRFANRHFSA-N 1 3 372.557 3.133 20 0 FGADHO CC[C@]1(C)CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781465 502093746 /nfs/dbraw/zinc/09/37/46/502093746.db2.gz VKRZGFURSCTXBS-JOCHJYFZSA-N 1 3 357.542 3.411 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881101 502136780 /nfs/dbraw/zinc/13/67/80/502136780.db2.gz QTZRLDIFUTURTN-NHCUHLMSSA-N 1 3 357.542 3.163 20 0 FGADHO COC[C@H]1CCCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000468693841 502149097 /nfs/dbraw/zinc/14/90/97/502149097.db2.gz LNPYJXDSUMVNQH-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO COC[C@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000468693841 502149101 /nfs/dbraw/zinc/14/91/01/502149101.db2.gz LNPYJXDSUMVNQH-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828688 502197787 /nfs/dbraw/zinc/19/77/87/502197787.db2.gz FCFMZGSBMSIKHC-MJGOQNOKSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000468828688 502197793 /nfs/dbraw/zinc/19/77/93/502197793.db2.gz FCFMZGSBMSIKHC-MJGOQNOKSA-N 1 3 363.933 3.358 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353432 502233312 /nfs/dbraw/zinc/23/33/12/502233312.db2.gz TZTVYCXLMVHTGC-WNRNVDISSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353432 502233315 /nfs/dbraw/zinc/23/33/15/502233315.db2.gz TZTVYCXLMVHTGC-WNRNVDISSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000472129378 502242863 /nfs/dbraw/zinc/24/28/63/502242863.db2.gz BCTCQVRABMIQLJ-KZNAEPCWSA-N 1 3 369.509 3.058 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268734 /nfs/dbraw/zinc/26/87/34/502268734.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 1 3 373.585 3.235 20 0 FGADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462010896 502273289 /nfs/dbraw/zinc/27/32/89/502273289.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462010896 502273295 /nfs/dbraw/zinc/27/32/95/502273295.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO C[NH+](C)CCN(C(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1 ZINC000469041952 502275494 /nfs/dbraw/zinc/27/54/94/502275494.db2.gz QAMJYRYKRFFDNE-UHFFFAOYSA-N 1 3 360.461 3.456 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147794 502290665 /nfs/dbraw/zinc/29/06/65/502290665.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147794 502290671 /nfs/dbraw/zinc/29/06/71/502290671.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 1 3 369.553 3.422 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000465575864 502312408 /nfs/dbraw/zinc/31/24/08/502312408.db2.gz QXRRYPNKXUZCFB-RXVVDRJESA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479680747 502342076 /nfs/dbraw/zinc/34/20/76/502342076.db2.gz YFTUEAOXZSBUIC-SVFBPWRDSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479680747 502342080 /nfs/dbraw/zinc/34/20/80/502342080.db2.gz YFTUEAOXZSBUIC-SVFBPWRDSA-N 1 3 374.573 3.489 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735951 502364490 /nfs/dbraw/zinc/36/44/90/502364490.db2.gz BXYQLILTSRLNSW-NRFANRHFSA-N 1 3 374.573 3.368 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735951 502364494 /nfs/dbraw/zinc/36/44/94/502364494.db2.gz BXYQLILTSRLNSW-NRFANRHFSA-N 1 3 374.573 3.368 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567414 502434441 /nfs/dbraw/zinc/43/44/41/502434441.db2.gz JIGPKKFTJBXAHI-HKBOAZHASA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567414 502434445 /nfs/dbraw/zinc/43/44/45/502434445.db2.gz JIGPKKFTJBXAHI-HKBOAZHASA-N 1 3 357.542 3.086 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580853 502436599 /nfs/dbraw/zinc/43/65/99/502436599.db2.gz HYJDZQXELXHYAT-NPDDRXJXSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580853 502436602 /nfs/dbraw/zinc/43/66/02/502436602.db2.gz HYJDZQXELXHYAT-NPDDRXJXSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCN(C2CCC2)C1 ZINC000487547284 502475814 /nfs/dbraw/zinc/47/58/14/502475814.db2.gz FYVLHILQOJVNAG-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CCCCC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000487664118 502499921 /nfs/dbraw/zinc/49/99/21/502499921.db2.gz IDUOFCXMPIIQHZ-HXUWFJFHSA-N 1 3 364.578 3.299 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000588709832 506317192 /nfs/dbraw/zinc/31/71/92/506317192.db2.gz DTULDVXGASFGTN-WERVVEIQSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760761 502535033 /nfs/dbraw/zinc/53/50/33/502535033.db2.gz NAQNTBUIADBLOL-ROUUACIJSA-N 1 3 357.542 3.182 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462721431 502549190 /nfs/dbraw/zinc/54/91/90/502549190.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462721431 502549197 /nfs/dbraw/zinc/54/91/97/502549197.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO COCC[NH+]1CCC(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000469800665 502550426 /nfs/dbraw/zinc/55/04/26/502550426.db2.gz RMEQCGJKENRUNR-SFHVURJKSA-N 1 3 373.463 3.009 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000473298281 502562462 /nfs/dbraw/zinc/56/24/62/502562462.db2.gz DEOZSDCAEBAZRA-AEFFLSMTSA-N 1 3 351.560 3.243 20 0 FGADHO Cc1cc2cc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857795 502570379 /nfs/dbraw/zinc/57/03/79/502570379.db2.gz XRXZFHNYKWVTPJ-PXNSSMCTSA-N 1 3 369.509 3.130 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462785226 502571042 /nfs/dbraw/zinc/57/10/42/502571042.db2.gz KPZOGEUIMKWSFT-RJGXRXQPSA-N 1 3 371.569 3.119 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596559 /nfs/dbraw/zinc/59/65/59/502596559.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596563 /nfs/dbraw/zinc/59/65/63/502596563.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 1 3 372.557 3.164 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510105 502616260 /nfs/dbraw/zinc/61/62/60/502616260.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510105 502616261 /nfs/dbraw/zinc/61/62/61/502616261.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@@H](C)O1 ZINC000469985465 502617822 /nfs/dbraw/zinc/61/78/22/502617822.db2.gz YCLRVZYMROXUKB-QZTJIDSGSA-N 1 3 357.542 3.366 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484646312 502694036 /nfs/dbraw/zinc/69/40/36/502694036.db2.gz UNXBXRNIEMERII-CTNGQTDRSA-N 1 3 372.557 3.339 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896503 502699555 /nfs/dbraw/zinc/69/95/55/502699555.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896503 502699558 /nfs/dbraw/zinc/69/95/58/502699558.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896503 502699564 /nfs/dbraw/zinc/69/95/64/502699564.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 1 3 365.537 3.155 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217016 502709661 /nfs/dbraw/zinc/70/96/61/502709661.db2.gz CFGZJGYJOHDSJG-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478267 502725632 /nfs/dbraw/zinc/72/56/32/502725632.db2.gz BMYXMWSCGCJODI-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478267 502725637 /nfs/dbraw/zinc/72/56/37/502725637.db2.gz BMYXMWSCGCJODI-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000473884245 502737214 /nfs/dbraw/zinc/73/72/14/502737214.db2.gz HLSPCGOTISQTSB-QUCCMNQESA-N 1 3 360.546 3.195 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)CC1 ZINC000470365306 502750559 /nfs/dbraw/zinc/75/05/59/502750559.db2.gz YHYLHBKYMXSBNA-UHFFFAOYSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000481177490 502774976 /nfs/dbraw/zinc/77/49/76/502774976.db2.gz ZYQQJFKTGLPRBY-RXVVDRJESA-N 1 3 351.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932125 502781335 /nfs/dbraw/zinc/78/13/35/502781335.db2.gz CXQAUEKCXVRZQF-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000474025813 502782156 /nfs/dbraw/zinc/78/21/56/502782156.db2.gz XHDIAQWSZFTZJX-KRWDZBQOSA-N 1 3 366.500 3.397 20 0 FGADHO CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000504909987 502822716 /nfs/dbraw/zinc/82/27/16/502822716.db2.gz VLTMFIVHERCXMT-NHCUHLMSSA-N 1 3 357.542 3.374 20 0 FGADHO CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000504909987 502822720 /nfs/dbraw/zinc/82/27/20/502822720.db2.gz VLTMFIVHERCXMT-NHCUHLMSSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072128 502844858 /nfs/dbraw/zinc/84/48/58/502844858.db2.gz YVBPCHFONNCDNR-KNQAVFIVSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072128 502844860 /nfs/dbraw/zinc/84/48/60/502844860.db2.gz YVBPCHFONNCDNR-KNQAVFIVSA-N 1 3 365.521 3.336 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000495696491 502858276 /nfs/dbraw/zinc/85/82/76/502858276.db2.gz LOLVUNWWEKWYDI-RTBURBONSA-N 1 3 363.571 3.036 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000495696491 502858279 /nfs/dbraw/zinc/85/82/79/502858279.db2.gz LOLVUNWWEKWYDI-RTBURBONSA-N 1 3 363.571 3.036 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500859611 502879872 /nfs/dbraw/zinc/87/98/72/502879872.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500859611 502879875 /nfs/dbraw/zinc/87/98/75/502879875.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000500991931 502907491 /nfs/dbraw/zinc/90/74/91/502907491.db2.gz XFWXRYOFSAFFLJ-YLJYHZDGSA-N 1 3 367.965 3.422 20 0 FGADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025161 502914711 /nfs/dbraw/zinc/91/47/11/502914711.db2.gz YXOHGWOVJASNQB-LQWHRVPQSA-N 1 3 372.557 3.171 20 0 FGADHO CC[C@@H]1CCCCN1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037230 502918630 /nfs/dbraw/zinc/91/86/30/502918630.db2.gz GIUKZSMXCYMVCH-LJQANCHMSA-N 1 3 358.530 3.021 20 0 FGADHO Cc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501068048 502927370 /nfs/dbraw/zinc/92/73/70/502927370.db2.gz KSAIYVFUFUPCQS-UHFFFAOYSA-N 1 3 366.509 3.485 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1F ZINC000501244689 502965994 /nfs/dbraw/zinc/96/59/94/502965994.db2.gz KQSUBUJTJOIQLJ-GOSISDBHSA-N 1 3 364.509 3.268 20 0 FGADHO CCc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000501244689 502965997 /nfs/dbraw/zinc/96/59/97/502965997.db2.gz KQSUBUJTJOIQLJ-GOSISDBHSA-N 1 3 364.509 3.268 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489491887 502971479 /nfs/dbraw/zinc/97/14/79/502971479.db2.gz FOQNXONCUOSHIS-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489491887 502971480 /nfs/dbraw/zinc/97/14/80/502971480.db2.gz FOQNXONCUOSHIS-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000505754983 502979049 /nfs/dbraw/zinc/97/90/49/502979049.db2.gz PQCMODLAHALEMM-XLIONFOSSA-N 1 3 363.521 3.194 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000505754983 502979051 /nfs/dbraw/zinc/97/90/51/502979051.db2.gz PQCMODLAHALEMM-XLIONFOSSA-N 1 3 363.521 3.194 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000489532283 502980824 /nfs/dbraw/zinc/98/08/24/502980824.db2.gz IEVONIFBOAGYCO-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513683004 503000189 /nfs/dbraw/zinc/00/01/89/503000189.db2.gz DYLNNOUGCSHLKC-ZHHKINOHSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513683004 503000193 /nfs/dbraw/zinc/00/01/93/503000193.db2.gz DYLNNOUGCSHLKC-ZHHKINOHSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513683004 503000197 /nfs/dbraw/zinc/00/01/97/503000197.db2.gz DYLNNOUGCSHLKC-ZHHKINOHSA-N 1 3 369.553 3.278 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000513690591 503001855 /nfs/dbraw/zinc/00/18/55/503001855.db2.gz KVSJRXCOWJONAZ-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000513690591 503001860 /nfs/dbraw/zinc/00/18/60/503001860.db2.gz KVSJRXCOWJONAZ-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000513690591 503001864 /nfs/dbraw/zinc/00/18/64/503001864.db2.gz KVSJRXCOWJONAZ-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000489684237 503010978 /nfs/dbraw/zinc/01/09/78/503010978.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 1 3 358.452 3.493 20 0 FGADHO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000489684237 503010982 /nfs/dbraw/zinc/01/09/82/503010982.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 1 3 358.452 3.493 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501492569 503019996 /nfs/dbraw/zinc/01/99/96/503019996.db2.gz VPEAPUZRBFCNFR-RBUKOAKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501492569 503020000 /nfs/dbraw/zinc/02/00/00/503020000.db2.gz VPEAPUZRBFCNFR-RBUKOAKNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000501546279 503035042 /nfs/dbraw/zinc/03/50/42/503035042.db2.gz NBENNHYAALMOGI-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000514053812 503076159 /nfs/dbraw/zinc/07/61/59/503076159.db2.gz BEFDBDNEAQWWSX-HKBOAZHASA-N 1 3 370.541 3.058 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCC2)cc1 ZINC000514053812 503076163 /nfs/dbraw/zinc/07/61/63/503076163.db2.gz BEFDBDNEAQWWSX-HKBOAZHASA-N 1 3 370.541 3.058 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000514725025 503177546 /nfs/dbraw/zinc/17/75/46/503177546.db2.gz LKMOHDPMQWCSBA-GMAHTHKFSA-N 1 3 363.505 3.031 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000514725021 503177555 /nfs/dbraw/zinc/17/75/55/503177555.db2.gz LKMOHDPMQWCSBA-FYYLOGMGSA-N 1 3 363.505 3.031 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000498412665 503181901 /nfs/dbraw/zinc/18/19/01/503181901.db2.gz IDNNNQYDXBWFBH-NQIIRXRSSA-N 1 3 374.573 3.407 20 0 FGADHO COc1ccc(Br)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000514819302 503200499 /nfs/dbraw/zinc/20/04/99/503200499.db2.gz CQBYHHMHUBDIPL-UHFFFAOYSA-N 1 3 373.360 3.375 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696862 503241754 /nfs/dbraw/zinc/24/17/54/503241754.db2.gz SRTSMMFWQTVMIH-PZJWPPBQSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696862 503241755 /nfs/dbraw/zinc/24/17/55/503241755.db2.gz SRTSMMFWQTVMIH-PZJWPPBQSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)N(C)C1CC1 ZINC000502797494 503275020 /nfs/dbraw/zinc/27/50/20/503275020.db2.gz YMNMAOJZTNEEGV-QZTJIDSGSA-N 1 3 372.557 3.432 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511271300 503290955 /nfs/dbraw/zinc/29/09/55/503290955.db2.gz VPJTXZUPCRDANU-LJQANCHMSA-N 1 3 372.557 3.190 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000498918994 503293422 /nfs/dbraw/zinc/29/34/22/503293422.db2.gz NFXXDTHGQWAGQS-OAQYLSRUSA-N 1 3 359.558 3.274 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498918994 503293426 /nfs/dbraw/zinc/29/34/26/503293426.db2.gz NFXXDTHGQWAGQS-OAQYLSRUSA-N 1 3 359.558 3.274 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000502874932 503295993 /nfs/dbraw/zinc/29/59/93/503295993.db2.gz BIURTEFYWFXYAF-HXUWFJFHSA-N 1 3 374.573 3.414 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000502874932 503295998 /nfs/dbraw/zinc/29/59/98/503295998.db2.gz BIURTEFYWFXYAF-HXUWFJFHSA-N 1 3 374.573 3.414 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521987 503314503 /nfs/dbraw/zinc/31/45/03/503314503.db2.gz CKORTKHGYSMHGI-YPAWHYETSA-N 1 3 369.553 3.442 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)NCCN2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441902 503323387 /nfs/dbraw/zinc/32/33/87/503323387.db2.gz VMAJHGOKSKTSDQ-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)NCCN2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441902 503323391 /nfs/dbraw/zinc/32/33/91/503323391.db2.gz VMAJHGOKSKTSDQ-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511512943 503335426 /nfs/dbraw/zinc/33/54/26/503335426.db2.gz NHCVCPPYHWIHGN-QUCCMNQESA-N 1 3 374.573 3.317 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511512944 503335675 /nfs/dbraw/zinc/33/56/75/503335675.db2.gz NHCVCPPYHWIHGN-UYAOXDASSA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000503065142 503339184 /nfs/dbraw/zinc/33/91/84/503339184.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000503065142 503339186 /nfs/dbraw/zinc/33/91/86/503339186.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000503065142 503339191 /nfs/dbraw/zinc/33/91/91/503339191.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@H]1CCCN1C ZINC000503065142 503339193 /nfs/dbraw/zinc/33/91/93/503339193.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 1 3 358.574 3.407 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)N(C)C ZINC000499200486 503354134 /nfs/dbraw/zinc/35/41/34/503354134.db2.gz BZGIWVHVSMOXHS-DYXWJJEUSA-N 1 3 374.573 3.263 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)N(C)C ZINC000499200486 503354139 /nfs/dbraw/zinc/35/41/39/503354139.db2.gz BZGIWVHVSMOXHS-DYXWJJEUSA-N 1 3 374.573 3.263 20 0 FGADHO CN(C(=O)NCC1([NH+](C)C)CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000503157477 503356980 /nfs/dbraw/zinc/35/69/80/503356980.db2.gz OMJSPHODQPXWET-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)N(C)C)cc1 ZINC000503214206 503368422 /nfs/dbraw/zinc/36/84/22/503368422.db2.gz CBOSSUAWJKUWLX-HXUWFJFHSA-N 1 3 362.562 3.358 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441083 503409541 /nfs/dbraw/zinc/40/95/41/503409541.db2.gz GNKADKCINNDFBH-VQTJNVASSA-N 1 3 364.578 3.016 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000511914890 503415091 /nfs/dbraw/zinc/41/50/91/503415091.db2.gz BWDKVSPYFZDARA-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000511914890 503415095 /nfs/dbraw/zinc/41/50/95/503415095.db2.gz BWDKVSPYFZDARA-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493880800 503452719 /nfs/dbraw/zinc/45/27/19/503452719.db2.gz BDSYSJUVSWAZKY-OAQYLSRUSA-N 1 3 366.505 3.127 20 0 FGADHO C[C@H]1CCCC[C@H]1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000512092537 503455660 /nfs/dbraw/zinc/45/56/60/503455660.db2.gz VTVKGUZRPXWTBY-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456668 /nfs/dbraw/zinc/45/66/68/503456668.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456683 /nfs/dbraw/zinc/45/66/83/503456683.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 1 3 372.557 3.069 20 0 FGADHO CCCN1CCN(c2ccccc2CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000516215161 503472174 /nfs/dbraw/zinc/47/21/74/503472174.db2.gz IKKJTMUVXUXKGS-UNMCSNQZSA-N 1 3 370.585 3.277 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702654 503547184 /nfs/dbraw/zinc/54/71/84/503547184.db2.gz WEPCCNRESVAODB-DYQZNNLLSA-N 1 3 373.585 3.374 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000516633063 503555926 /nfs/dbraw/zinc/55/59/26/503555926.db2.gz XEQZIAPJXOVREJ-RDTXWAMCSA-N 1 3 356.470 3.176 20 0 FGADHO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508851447 503577108 /nfs/dbraw/zinc/57/71/08/503577108.db2.gz HHODYFOYFUMZDW-XLIONFOSSA-N 1 3 360.546 3.289 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)C ZINC000508869450 503583296 /nfs/dbraw/zinc/58/32/96/503583296.db2.gz ICXBZRJUQHILGW-SBHAEUEKSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000508895916 503591993 /nfs/dbraw/zinc/59/19/93/503591993.db2.gz MAZKXRWLLDXFJE-RMJJICAUSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000508895916 503591997 /nfs/dbraw/zinc/59/19/97/503591997.db2.gz MAZKXRWLLDXFJE-RMJJICAUSA-N 1 3 360.546 3.110 20 0 FGADHO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901423 503594810 /nfs/dbraw/zinc/59/48/10/503594810.db2.gz YQNARIJNNGBPDG-RXVVDRJESA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N(C)C ZINC000508902342 503595565 /nfs/dbraw/zinc/59/55/65/503595565.db2.gz WFXJRBMWYWGSDS-YHELAOLJSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N(C)C ZINC000508902342 503595571 /nfs/dbraw/zinc/59/55/71/503595571.db2.gz WFXJRBMWYWGSDS-YHELAOLJSA-N 1 3 372.557 3.112 20 0 FGADHO c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512670801 503608861 /nfs/dbraw/zinc/60/88/61/503608861.db2.gz BHWDUBYMJNSLDZ-PWRODBHTSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512670801 503608862 /nfs/dbraw/zinc/60/88/62/503608862.db2.gz BHWDUBYMJNSLDZ-PWRODBHTSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512670801 503608863 /nfs/dbraw/zinc/60/88/63/503608863.db2.gz BHWDUBYMJNSLDZ-PWRODBHTSA-N 1 3 365.525 3.046 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988298 503645975 /nfs/dbraw/zinc/64/59/75/503645975.db2.gz NNNGOYLSCFMTNA-CQSZACIVSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988298 503645976 /nfs/dbraw/zinc/64/59/76/503645976.db2.gz NNNGOYLSCFMTNA-CQSZACIVSA-N 1 3 370.900 3.359 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696328 503685571 /nfs/dbraw/zinc/68/55/71/503685571.db2.gz IQRCYVZJFPGLAP-NRFANRHFSA-N 1 3 370.541 3.422 20 0 FGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000540395702 503758851 /nfs/dbraw/zinc/75/88/51/503758851.db2.gz DXNOKTBZIKQILN-KRWDZBQOSA-N 1 3 370.459 3.320 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517702163 503811501 /nfs/dbraw/zinc/81/15/01/503811501.db2.gz METKRHNAHLMYGC-SFHVURJKSA-N 1 3 374.573 3.448 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517702163 503811507 /nfs/dbraw/zinc/81/15/07/503811507.db2.gz METKRHNAHLMYGC-SFHVURJKSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715224 503864568 /nfs/dbraw/zinc/86/45/68/503864568.db2.gz LKFYUNSDFWDUDI-MOPGFXCFSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715224 503864572 /nfs/dbraw/zinc/86/45/72/503864572.db2.gz LKFYUNSDFWDUDI-MOPGFXCFSA-N 1 3 358.530 3.021 20 0 FGADHO CC(C)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345401 503884190 /nfs/dbraw/zinc/88/41/90/503884190.db2.gz ZGOQDZUJNKUXDR-YLJYHZDGSA-N 1 3 357.498 3.307 20 0 FGADHO C/C(=C/c1ccccc1)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000518274286 503940613 /nfs/dbraw/zinc/94/06/13/503940613.db2.gz RKDDWPWQSOYUKN-ZZEZOPTASA-N 1 3 350.510 3.287 20 0 FGADHO COc1cc(-c2ccccc2)ccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000540975249 503962162 /nfs/dbraw/zinc/96/21/62/503962162.db2.gz QKDPBVKZXZFWOL-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO C[C@H](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297795 504077672 /nfs/dbraw/zinc/07/76/72/504077672.db2.gz CQMQLAFQDRWQBH-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528146440 504090716 /nfs/dbraw/zinc/09/07/16/504090716.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528146440 504090723 /nfs/dbraw/zinc/09/07/23/504090723.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 1 3 364.578 3.061 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358046 504101085 /nfs/dbraw/zinc/10/10/85/504101085.db2.gz JAHKEUUDLLWWPV-JOCHJYFZSA-N 1 3 370.516 3.173 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000530879889 504117889 /nfs/dbraw/zinc/11/78/89/504117889.db2.gz AFPGQWDOJOPEKB-HUUCEWRRSA-N 1 3 372.340 3.049 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccc(Cl)cc1 ZINC000519141643 504148999 /nfs/dbraw/zinc/14/89/99/504148999.db2.gz ORAABOSMTDLPGQ-FQEVSTJZSA-N 1 3 366.933 3.214 20 0 FGADHO COCC[C@H](c1ccccc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491618 504152388 /nfs/dbraw/zinc/15/23/88/504152388.db2.gz QDWRCULVEGPWFU-OAQYLSRUSA-N 1 3 359.558 3.114 20 0 FGADHO Cc1ccc(C)c(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000544491921 504152499 /nfs/dbraw/zinc/15/24/99/504152499.db2.gz HCBFKLCVOBIIQR-UHFFFAOYSA-N 1 3 359.558 3.032 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555686 504172370 /nfs/dbraw/zinc/17/23/70/504172370.db2.gz JQWZYZFIDOAEHR-KNQAVFIVSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555686 504172387 /nfs/dbraw/zinc/17/23/87/504172387.db2.gz JQWZYZFIDOAEHR-KNQAVFIVSA-N 1 3 371.569 3.178 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000544598821 504186764 /nfs/dbraw/zinc/18/67/64/504186764.db2.gz YDCTXIJSRPUKSJ-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304468 504198115 /nfs/dbraw/zinc/19/81/15/504198115.db2.gz IBMVRSRBVNOISN-FQEVSTJZSA-N 1 3 356.514 3.020 20 0 FGADHO CCn1ccnc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000531141783 504202754 /nfs/dbraw/zinc/20/27/54/504202754.db2.gz BXMDJIHPGBPGEZ-UHFFFAOYSA-N 1 3 356.514 3.064 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCCC2 ZINC000538406467 504238117 /nfs/dbraw/zinc/23/81/17/504238117.db2.gz GUIGTLLMISJXIS-RBUKOAKNSA-N 1 3 361.530 3.240 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000534798739 504244899 /nfs/dbraw/zinc/24/48/99/504244899.db2.gz VHWITVMWAJJHDD-MHTWAQMVSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000534798739 504244904 /nfs/dbraw/zinc/24/49/04/504244904.db2.gz VHWITVMWAJJHDD-MHTWAQMVSA-N 1 3 358.526 3.243 20 0 FGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600730 504269578 /nfs/dbraw/zinc/26/95/78/504269578.db2.gz PPFMTCCLKOTYNL-AZUAARDMSA-N 1 3 361.505 3.028 20 0 FGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600730 504269581 /nfs/dbraw/zinc/26/95/81/504269581.db2.gz PPFMTCCLKOTYNL-AZUAARDMSA-N 1 3 361.505 3.028 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357240 504277742 /nfs/dbraw/zinc/27/77/42/504277742.db2.gz GVDAHCTYHVGBQM-CABCVRRESA-N 1 3 372.340 3.049 20 0 FGADHO CN(CCC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1cc[nH+]cc1 ZINC000541855245 504278188 /nfs/dbraw/zinc/27/81/88/504278188.db2.gz KUUPCCAZSZPBGT-UHFFFAOYSA-N 1 3 366.509 3.031 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000519641972 504286598 /nfs/dbraw/zinc/28/65/98/504286598.db2.gz HTWZTQVHIUTOMF-LQBOVUBWSA-N 1 3 355.526 3.108 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548061072 504315619 /nfs/dbraw/zinc/31/56/19/504315619.db2.gz YBGSJROFIBYKOO-UHFFFAOYSA-N 1 3 361.530 3.357 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548061072 504315623 /nfs/dbraw/zinc/31/56/23/504315623.db2.gz YBGSJROFIBYKOO-UHFFFAOYSA-N 1 3 361.530 3.357 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(SC4CC4)cc3)CC2)CC1 ZINC000542145141 504379864 /nfs/dbraw/zinc/37/98/64/504379864.db2.gz FTUHJZDIQXUGSQ-UHFFFAOYSA-N 1 3 373.566 3.230 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NCCC[N@H+](C)C1CCCCC1 ZINC000545247226 504415087 /nfs/dbraw/zinc/41/50/87/504415087.db2.gz YPGZWWFULAQDTI-QGZVFWFLSA-N 1 3 371.525 3.305 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000545247226 504415090 /nfs/dbraw/zinc/41/50/90/504415090.db2.gz YPGZWWFULAQDTI-QGZVFWFLSA-N 1 3 371.525 3.305 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN(C)C1CCCCC1 ZINC000545247226 504415097 /nfs/dbraw/zinc/41/50/97/504415097.db2.gz YPGZWWFULAQDTI-QGZVFWFLSA-N 1 3 371.525 3.305 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CCO)CCCC2)CC1 ZINC000531783976 504423348 /nfs/dbraw/zinc/42/33/48/504423348.db2.gz AZEFZZOGGPCXRE-UHFFFAOYSA-N 1 3 359.558 3.251 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305710 504436673 /nfs/dbraw/zinc/43/66/73/504436673.db2.gz PHDRZGHYUZLFFJ-NRFANRHFSA-N 1 3 368.525 3.181 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226422 504440427 /nfs/dbraw/zinc/44/04/27/504440427.db2.gz QNPKFIPBRAHSMT-WOJBJXKFSA-N 1 3 355.526 3.133 20 0 FGADHO Cc1c(Cl)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000548520975 504475839 /nfs/dbraw/zinc/47/58/39/504475839.db2.gz DGABENWMDIGTHF-UHFFFAOYSA-N 1 3 361.317 3.259 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531959499 504487809 /nfs/dbraw/zinc/48/78/09/504487809.db2.gz KDPRWGASKHELBX-ZIAGYGMSSA-N 1 3 374.392 3.435 20 0 FGADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000520406074 504491555 /nfs/dbraw/zinc/49/15/55/504491555.db2.gz YGLLLYICTLNBNT-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000532013830 504505490 /nfs/dbraw/zinc/50/54/90/504505490.db2.gz FDYCNNHHURETTI-UHFFFAOYSA-N 1 3 371.525 3.493 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCCNc2ccccn2)CC1 ZINC000532042394 504514397 /nfs/dbraw/zinc/51/43/97/504514397.db2.gz MZUKXLAFBJFNNV-UHFFFAOYSA-N 1 3 367.541 3.205 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299126 504523317 /nfs/dbraw/zinc/52/33/17/504523317.db2.gz WDKZZTJQGYKIHJ-CEXWTWQISA-N 1 3 368.525 3.337 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299126 504523321 /nfs/dbraw/zinc/52/33/21/504523321.db2.gz WDKZZTJQGYKIHJ-CEXWTWQISA-N 1 3 368.525 3.337 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000532195615 504569855 /nfs/dbraw/zinc/56/98/55/504569855.db2.gz VUBNGCVFLDMBEF-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C12CCC2 ZINC000539500231 504591191 /nfs/dbraw/zinc/59/11/91/504591191.db2.gz VIRXHMHIQJEIFW-FGZHOGPDSA-N 1 3 371.569 3.261 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233522 504688795 /nfs/dbraw/zinc/68/87/95/504688795.db2.gz QKKRSRJKTSHWOC-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO COCc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000539823302 504705053 /nfs/dbraw/zinc/70/50/53/504705053.db2.gz ZUIKDEHXPKIUPS-UHFFFAOYSA-N 1 3 363.546 3.054 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852510 504717677 /nfs/dbraw/zinc/71/76/77/504717677.db2.gz TVPVKAYHTHSVPZ-PZJWPPBQSA-N 1 3 357.542 3.077 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852510 504717681 /nfs/dbraw/zinc/71/76/81/504717681.db2.gz TVPVKAYHTHSVPZ-PZJWPPBQSA-N 1 3 357.542 3.077 20 0 FGADHO O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)CN1CCCC1 ZINC000546163978 504730886 /nfs/dbraw/zinc/73/08/86/504730886.db2.gz UWECTDPGXUTHOZ-UXHICEINSA-N 1 3 359.901 3.065 20 0 FGADHO CN(CCOc1cc(Cl)cc(Cl)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000536454925 504738444 /nfs/dbraw/zinc/73/84/44/504738444.db2.gz XNVWNJDLJDPBCJ-UHFFFAOYSA-N 1 3 374.356 3.330 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759025 /nfs/dbraw/zinc/75/90/25/504759025.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759028 /nfs/dbraw/zinc/75/90/28/504759028.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000552922993 504789109 /nfs/dbraw/zinc/78/91/09/504789109.db2.gz DDMOVWBIDAJNOH-OXJNMPFZSA-N 1 3 360.473 3.020 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000559260741 504811278 /nfs/dbraw/zinc/81/12/78/504811278.db2.gz APMAIRCJLTYXPB-WIYYLYMNSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000559260741 504811281 /nfs/dbraw/zinc/81/12/81/504811281.db2.gz APMAIRCJLTYXPB-WIYYLYMNSA-N 1 3 373.541 3.213 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)C1CCCCC1)C1CCN(C)CC1 ZINC000559333618 504838020 /nfs/dbraw/zinc/83/80/20/504838020.db2.gz OMNYNTZHWXGZBH-NRFANRHFSA-N 1 3 373.585 3.495 20 0 FGADHO CC(CN1CCC[C@@](CO)(C(C)C)C1)C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000559424516 504859010 /nfs/dbraw/zinc/85/90/10/504859010.db2.gz IXUIAZMPPRXKHY-FGZHOGPDSA-N 1 3 368.606 3.084 20 0 FGADHO CC(CN1CCC[C@@](CO)(C(C)C)C1)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000559424516 504859011 /nfs/dbraw/zinc/85/90/11/504859011.db2.gz IXUIAZMPPRXKHY-FGZHOGPDSA-N 1 3 368.606 3.084 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000549750990 504888378 /nfs/dbraw/zinc/88/83/78/504888378.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000549750990 504888382 /nfs/dbraw/zinc/88/83/82/504888382.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 1 3 363.571 3.341 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889020 /nfs/dbraw/zinc/88/90/20/504889020.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 1 3 359.558 3.082 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889023 /nfs/dbraw/zinc/88/90/23/504889023.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 1 3 359.558 3.082 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536207 504916267 /nfs/dbraw/zinc/91/62/67/504916267.db2.gz YCQXNADRLBJLEZ-GHTZIAJQSA-N 1 3 356.510 3.290 20 0 FGADHO Cc1ncccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549881828 504924049 /nfs/dbraw/zinc/92/40/49/504924049.db2.gz AJBQZJUGUFUXME-JOCHJYFZSA-N 1 3 365.521 3.408 20 0 FGADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896619 504946818 /nfs/dbraw/zinc/94/68/18/504946818.db2.gz VSQNTSUCPFFDCD-UEXGIBASSA-N 1 3 355.530 3.324 20 0 FGADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896619 504946821 /nfs/dbraw/zinc/94/68/21/504946821.db2.gz VSQNTSUCPFFDCD-UEXGIBASSA-N 1 3 355.530 3.324 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262721 505005782 /nfs/dbraw/zinc/00/57/82/505005782.db2.gz PJDAQYZMUNIPAX-GIVPXCGWSA-N 1 3 358.526 3.072 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@H]21 ZINC000556885979 505006623 /nfs/dbraw/zinc/00/66/23/505006623.db2.gz ROEHMXZOUOCSRN-IXDOHACOSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@H]21 ZINC000556885979 505006625 /nfs/dbraw/zinc/00/66/25/505006625.db2.gz ROEHMXZOUOCSRN-IXDOHACOSA-N 1 3 360.889 3.395 20 0 FGADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556886234 505006727 /nfs/dbraw/zinc/00/67/27/505006727.db2.gz KDNUJPUOQOXSOO-VAMGGRTRSA-N 1 3 357.542 3.039 20 0 FGADHO CC1(C)CC(NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328039 505023925 /nfs/dbraw/zinc/02/39/25/505023925.db2.gz KJPYHWJPVWYAKB-QUCCMNQESA-N 1 3 360.542 3.340 20 0 FGADHO CC1(C)CC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)N1 ZINC000550328039 505023930 /nfs/dbraw/zinc/02/39/30/505023930.db2.gz KJPYHWJPVWYAKB-QUCCMNQESA-N 1 3 360.542 3.340 20 0 FGADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000563065331 505038369 /nfs/dbraw/zinc/03/83/69/505038369.db2.gz HQBIIXDHRRRSIH-UZLBHIALSA-N 1 3 351.494 3.029 20 0 FGADHO Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000563082778 505041478 /nfs/dbraw/zinc/04/14/78/505041478.db2.gz ODZFGNINHXSCPZ-PKOBYXMFSA-N 1 3 359.514 3.316 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000563082604 505041922 /nfs/dbraw/zinc/04/19/22/505041922.db2.gz HBHNEYMCBZMHCA-XJKSGUPXSA-N 1 3 353.894 3.127 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615100 505073923 /nfs/dbraw/zinc/07/39/23/505073923.db2.gz DTRXCQAPYBHGJE-FCHUYYIVSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615100 505073929 /nfs/dbraw/zinc/07/39/29/505073929.db2.gz DTRXCQAPYBHGJE-FCHUYYIVSA-N 1 3 361.493 3.252 20 0 FGADHO COC1([C@H](C)NCc2cncc(C[NH2+][C@@H](C)C3(OC)CCC3)c2)CCC1 ZINC000563232844 505082420 /nfs/dbraw/zinc/08/24/20/505082420.db2.gz DGEGMOWYOWDAJR-IRXDYDNUSA-N 1 3 361.530 3.176 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000560525937 505114892 /nfs/dbraw/zinc/11/48/92/505114892.db2.gz BGNXSYNLMYNZNP-MLHJIOFPSA-N 1 3 363.933 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000560525937 505114895 /nfs/dbraw/zinc/11/48/95/505114895.db2.gz BGNXSYNLMYNZNP-MLHJIOFPSA-N 1 3 363.933 3.390 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000560530247 505116435 /nfs/dbraw/zinc/11/64/35/505116435.db2.gz PGQIAXOUHYTHJY-LQKXBSAESA-N 1 3 373.324 3.196 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000560530247 505116440 /nfs/dbraw/zinc/11/64/40/505116440.db2.gz PGQIAXOUHYTHJY-LQKXBSAESA-N 1 3 373.324 3.196 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000560530247 505116448 /nfs/dbraw/zinc/11/64/48/505116448.db2.gz PGQIAXOUHYTHJY-LQKXBSAESA-N 1 3 373.324 3.196 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000560533654 505116980 /nfs/dbraw/zinc/11/69/80/505116980.db2.gz UNBXDXTWXVHYBA-BVSLBCMMSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000560533654 505116985 /nfs/dbraw/zinc/11/69/85/505116985.db2.gz UNBXDXTWXVHYBA-BVSLBCMMSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000560533654 505116988 /nfs/dbraw/zinc/11/69/88/505116988.db2.gz UNBXDXTWXVHYBA-BVSLBCMMSA-N 1 3 350.510 3.300 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000550886271 505119467 /nfs/dbraw/zinc/11/94/67/505119467.db2.gz GOXICPJAUZGACQ-RBBKRZOGSA-N 1 3 359.558 3.132 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886559 505120258 /nfs/dbraw/zinc/12/02/58/505120258.db2.gz HMCFIZLOOWAUDF-ZWKOTPCHSA-N 1 3 355.530 3.423 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886559 505120261 /nfs/dbraw/zinc/12/02/61/505120261.db2.gz HMCFIZLOOWAUDF-ZWKOTPCHSA-N 1 3 355.530 3.423 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244450 505121406 /nfs/dbraw/zinc/12/14/06/505121406.db2.gz UXXUSAXJGKEFRT-BQFCYCMXSA-N 1 3 358.461 3.176 20 0 FGADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000566505024 505191642 /nfs/dbraw/zinc/19/16/42/505191642.db2.gz RCCUIUVQMRIRIY-CYBMUJFWSA-N 1 3 372.435 3.406 20 0 FGADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000560897297 505208583 /nfs/dbraw/zinc/20/85/83/505208583.db2.gz BKHNROXBIGIQGN-KRWDZBQOSA-N 1 3 366.347 3.490 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000561043773 505236622 /nfs/dbraw/zinc/23/66/22/505236622.db2.gz STDMBOUPYLFIEC-UHFFFAOYSA-N 1 3 358.530 3.212 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008594 505301385 /nfs/dbraw/zinc/30/13/85/505301385.db2.gz LHVXGOAAGFURFM-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008594 505301388 /nfs/dbraw/zinc/30/13/88/505301388.db2.gz LHVXGOAAGFURFM-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008594 505301390 /nfs/dbraw/zinc/30/13/90/505301390.db2.gz LHVXGOAAGFURFM-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310876 /nfs/dbraw/zinc/31/08/76/505310876.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 1 3 363.505 3.070 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310880 /nfs/dbraw/zinc/31/08/80/505310880.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 1 3 363.505 3.070 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C1CCN(C)CC1 ZINC000551813596 505316477 /nfs/dbraw/zinc/31/64/77/505316477.db2.gz NFTPSWNGVJEREW-YADHBBJMSA-N 1 3 357.542 3.360 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C1CCN(C)CC1 ZINC000551813596 505316481 /nfs/dbraw/zinc/31/64/81/505316481.db2.gz NFTPSWNGVJEREW-YADHBBJMSA-N 1 3 357.542 3.360 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cc1O ZINC000554998229 505323696 /nfs/dbraw/zinc/32/36/96/505323696.db2.gz XIIRTIQIDPNUSP-INIZCTEOSA-N 1 3 358.482 3.235 20 0 FGADHO CCc1cc(CCC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)on1 ZINC000564250057 505362706 /nfs/dbraw/zinc/36/27/06/505362706.db2.gz AJIVQHDZWCGNEH-ROUUACIJSA-N 1 3 363.546 3.381 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552053981 505384071 /nfs/dbraw/zinc/38/40/71/505384071.db2.gz DMJFXZJOBZTTLU-MXEMCNAFSA-N 1 3 359.583 3.066 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552053981 505384074 /nfs/dbraw/zinc/38/40/74/505384074.db2.gz DMJFXZJOBZTTLU-MXEMCNAFSA-N 1 3 359.583 3.066 20 0 FGADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(F)F ZINC000561974719 505482413 /nfs/dbraw/zinc/48/24/13/505482413.db2.gz DFGKNHJYEXLOEQ-MRXNPFEDSA-N 1 3 354.441 3.460 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000567532279 505490391 /nfs/dbraw/zinc/49/03/91/505490391.db2.gz RQSDHJFKDXVQJS-DYXWJJEUSA-N 1 3 364.493 3.296 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000567725668 505550154 /nfs/dbraw/zinc/55/01/54/505550154.db2.gz DXJRARZMLWXTPP-CTNGQTDRSA-N 1 3 360.542 3.294 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000564973749 505564790 /nfs/dbraw/zinc/56/47/90/505564790.db2.gz RMNQLVGWZUHXMJ-HDICACEKSA-N 1 3 367.493 3.101 20 0 FGADHO C[C@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000582727859 506387131 /nfs/dbraw/zinc/38/71/31/506387131.db2.gz QGMKSKJEPXXQIC-QUCCMNQESA-N 1 3 372.557 3.172 20 0 FGADHO Oc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000582860929 506459353 /nfs/dbraw/zinc/45/93/53/506459353.db2.gz NCSATCJNKBHPBR-RBBKRZOGSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000582860929 506459357 /nfs/dbraw/zinc/45/93/57/506459357.db2.gz NCSATCJNKBHPBR-RBBKRZOGSA-N 1 3 352.478 3.126 20 0 FGADHO CN(CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000612192995 506477301 /nfs/dbraw/zinc/47/73/01/506477301.db2.gz NEMIRZVSIRILNU-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656143 506651690 /nfs/dbraw/zinc/65/16/90/506651690.db2.gz LDLOTPAVIKWRCN-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608691523 506667709 /nfs/dbraw/zinc/66/77/09/506667709.db2.gz DTBSWKCIDJQGKZ-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608691523 506667713 /nfs/dbraw/zinc/66/77/13/506667713.db2.gz DTBSWKCIDJQGKZ-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)N(C(=O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000589998789 506701801 /nfs/dbraw/zinc/70/18/01/506701801.db2.gz PFLLNGCCAFTOSJ-UHFFFAOYSA-N 1 3 359.558 3.476 20 0 FGADHO CC(C)N(C(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000589998789 506701808 /nfs/dbraw/zinc/70/18/08/506701808.db2.gz PFLLNGCCAFTOSJ-UHFFFAOYSA-N 1 3 359.558 3.476 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000604116671 506719972 /nfs/dbraw/zinc/71/99/72/506719972.db2.gz XRPKYRZFFFTRMP-NRFANRHFSA-N 1 3 372.557 3.263 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000583343845 506728015 /nfs/dbraw/zinc/72/80/15/506728015.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000583343845 506728018 /nfs/dbraw/zinc/72/80/18/506728018.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 1 3 374.573 3.174 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000583348832 506729761 /nfs/dbraw/zinc/72/97/61/506729761.db2.gz HDIGZCMBQWLPKC-HUUCEWRRSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000583348832 506729767 /nfs/dbraw/zinc/72/97/67/506729767.db2.gz HDIGZCMBQWLPKC-HUUCEWRRSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000583348832 506729772 /nfs/dbraw/zinc/72/97/72/506729772.db2.gz HDIGZCMBQWLPKC-HUUCEWRRSA-N 1 3 367.921 3.386 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604161910 506730903 /nfs/dbraw/zinc/73/09/03/506730903.db2.gz PCOMGGHTWOSEJH-OAQYLSRUSA-N 1 3 372.557 3.389 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179912 506739581 /nfs/dbraw/zinc/73/95/81/506739581.db2.gz WNRQPIUSSRDSGZ-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179912 506739584 /nfs/dbraw/zinc/73/95/84/506739584.db2.gz WNRQPIUSSRDSGZ-PZJWPPBQSA-N 1 3 372.557 3.245 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604189275 506743024 /nfs/dbraw/zinc/74/30/24/506743024.db2.gz XNQVDVMIHDWUHH-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604189275 506743029 /nfs/dbraw/zinc/74/30/29/506743029.db2.gz XNQVDVMIHDWUHH-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000583597297 506868087 /nfs/dbraw/zinc/86/80/87/506868087.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000583597297 506868092 /nfs/dbraw/zinc/86/80/92/506868092.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 1 3 374.573 3.317 20 0 FGADHO C/C(=C/c1ccccc1OC(F)F)CNCCC[NH+]1CCC(O)CC1 ZINC000583663066 506900937 /nfs/dbraw/zinc/90/09/37/506900937.db2.gz LRVJKPBUDWXCBQ-SQFISAMPSA-N 1 3 354.441 3.128 20 0 FGADHO CN(C)C(=O)[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000604772843 506937497 /nfs/dbraw/zinc/93/74/97/506937497.db2.gz ZAXCTEBJDXIAOT-FQEVSTJZSA-N 1 3 371.550 3.379 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782088 506941095 /nfs/dbraw/zinc/94/10/95/506941095.db2.gz FPXVZMWLHQCZNY-HOJAQTOUSA-N 1 3 374.573 3.488 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000590786946 506957539 /nfs/dbraw/zinc/95/75/39/506957539.db2.gz ZGRCTOXXJADFJL-OAQYLSRUSA-N 1 3 362.558 3.404 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786946 506957545 /nfs/dbraw/zinc/95/75/45/506957545.db2.gz ZGRCTOXXJADFJL-OAQYLSRUSA-N 1 3 362.558 3.404 20 0 FGADHO CN1CCC2(CCCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000613190744 506960454 /nfs/dbraw/zinc/96/04/54/506960454.db2.gz JIZYVHLRRIDWFC-OAQYLSRUSA-N 1 3 369.553 3.028 20 0 FGADHO CN1CCC2(CCCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000613190744 506960456 /nfs/dbraw/zinc/96/04/56/506960456.db2.gz JIZYVHLRRIDWFC-OAQYLSRUSA-N 1 3 369.553 3.028 20 0 FGADHO CC[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998873 507026489 /nfs/dbraw/zinc/02/64/89/507026489.db2.gz JWHXQNVAQSETEL-LJQANCHMSA-N 1 3 357.542 3.411 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000584061975 507132456 /nfs/dbraw/zinc/13/24/56/507132456.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 1 3 369.509 3.082 20 0 FGADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000584061975 507132461 /nfs/dbraw/zinc/13/24/61/507132461.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 1 3 369.509 3.082 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000600839462 507143739 /nfs/dbraw/zinc/14/37/39/507143739.db2.gz NRMKGGNUGVCIQW-LJQANCHMSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000600839462 507143743 /nfs/dbraw/zinc/14/37/43/507143743.db2.gz NRMKGGNUGVCIQW-LJQANCHMSA-N 1 3 374.573 3.461 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000600887427 507162318 /nfs/dbraw/zinc/16/23/18/507162318.db2.gz KIOWWDJOXJGVEP-ICSRJNTNSA-N 1 3 374.573 3.489 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000600887427 507162324 /nfs/dbraw/zinc/16/23/24/507162324.db2.gz KIOWWDJOXJGVEP-ICSRJNTNSA-N 1 3 374.573 3.489 20 0 FGADHO COc1cc(Cl)c(CNCC2(SC)CC[NH+](C)CC2)cc1OC ZINC000601124679 507268898 /nfs/dbraw/zinc/26/88/98/507268898.db2.gz HNTFHRRPIYVQBB-UHFFFAOYSA-N 1 3 358.935 3.274 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000584415541 507333630 /nfs/dbraw/zinc/33/36/30/507333630.db2.gz MYGFCRKKKCZFTM-GOEBONIOSA-N 1 3 353.938 3.268 20 0 FGADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000595069601 507377840 /nfs/dbraw/zinc/37/78/40/507377840.db2.gz ZMFABRFEDGQZNK-IBGZPJMESA-N 1 3 359.514 3.005 20 0 FGADHO Cc1cccc(OC[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000584585360 507426717 /nfs/dbraw/zinc/42/67/17/507426717.db2.gz AFWUDOOTPAKTNW-OAQYLSRUSA-N 1 3 354.494 3.120 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000606659595 507472324 /nfs/dbraw/zinc/47/23/24/507472324.db2.gz OOTBDALOIJVJOW-ZJOUEHCJSA-N 1 3 374.573 3.411 20 0 FGADHO Cc1nc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)o1 ZINC000584815617 507519252 /nfs/dbraw/zinc/51/92/52/507519252.db2.gz JKFBBEHPZQQPDY-IBGZPJMESA-N 1 3 355.482 3.412 20 0 FGADHO CCOC(=O)c1csc(C2CCN(CCCC3CC[NH2+]CC3)CC2)n1 ZINC000592495925 507679451 /nfs/dbraw/zinc/67/94/51/507679451.db2.gz XKPHIABUWFWNDA-UHFFFAOYSA-N 1 3 365.543 3.279 20 0 FGADHO C[NH+]1CCC2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CC1 ZINC000614966737 507708205 /nfs/dbraw/zinc/70/82/05/507708205.db2.gz DBOLDQYNJJJVFI-UHFFFAOYSA-N 1 3 355.526 3.230 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187289288 712738235 /nfs/dbraw/zinc/73/82/35/712738235.db2.gz UZGUOGJMOOEBBO-HIFRSBDPSA-N 1 3 373.335 3.471 20 0 FGADHO Cc1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000237854718 713597992 /nfs/dbraw/zinc/59/79/92/713597992.db2.gz AOXZHLYMAMYSPJ-UHFFFAOYSA-N 1 3 358.555 3.139 20 0 FGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248674241 713656330 /nfs/dbraw/zinc/65/63/30/713656330.db2.gz WSNGCTCCBWLHNR-YLJYHZDGSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553373 713985212 /nfs/dbraw/zinc/98/52/12/713985212.db2.gz HJZIVWUXYJKCIJ-XWTMOSNGSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553373 713985215 /nfs/dbraw/zinc/98/52/15/713985215.db2.gz HJZIVWUXYJKCIJ-XWTMOSNGSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000512037376 714128915 /nfs/dbraw/zinc/12/89/15/714128915.db2.gz GPEAFQBBNYFFFF-BETUJISGSA-N 1 3 361.349 3.490 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000643064130 718003643 /nfs/dbraw/zinc/00/36/43/718003643.db2.gz MBGCEWUTYLAMJZ-YOEHRIQHSA-N 1 3 365.905 3.141 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000643064129 718003656 /nfs/dbraw/zinc/00/36/56/718003656.db2.gz MBGCEWUTYLAMJZ-WMLDXEAASA-N 1 3 365.905 3.141 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461104 718034845 /nfs/dbraw/zinc/03/48/45/718034845.db2.gz TXBRASQPJONGAZ-GWCFXTLKSA-N 1 3 350.816 3.143 20 0 FGADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165066 716119178 /nfs/dbraw/zinc/11/91/78/716119178.db2.gz LLDSDLSYHOLPQW-LBPRGKRZSA-N 1 3 350.450 3.292 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3sccc3CN(C)C)C2)cc1 ZINC000634457143 717082373 /nfs/dbraw/zinc/08/23/73/717082373.db2.gz SCPQXJXESTWKQP-SFHVURJKSA-N 1 3 357.523 3.122 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3sccc3CN(C)C)C2)cc1 ZINC000634457143 717082377 /nfs/dbraw/zinc/08/23/77/717082377.db2.gz SCPQXJXESTWKQP-SFHVURJKSA-N 1 3 357.523 3.122 20 0 FGADHO [NH3+]Cc1cccc2c1N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC000638543089 717456655 /nfs/dbraw/zinc/45/66/55/717456655.db2.gz PQOYHTIJWRAXNA-LSDHHAIUSA-N 1 3 356.388 3.172 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976894 718391240 /nfs/dbraw/zinc/39/12/40/718391240.db2.gz VWOUOOFYKDMNEE-BBWFWOEESA-N 1 3 363.933 3.229 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976896 718391446 /nfs/dbraw/zinc/39/14/46/718391446.db2.gz VWOUOOFYKDMNEE-ULQDDVLXSA-N 1 3 363.933 3.229 20 0 FGADHO C[NH+](C)CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ccccc1 ZINC000649660199 718546140 /nfs/dbraw/zinc/54/61/40/718546140.db2.gz AVMJIDQYJPUTTO-CVEARBPZSA-N 1 3 358.404 3.329 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000649684170 718550328 /nfs/dbraw/zinc/55/03/28/718550328.db2.gz HQSJARFJRMIZAL-CVEARBPZSA-N 1 3 358.404 3.477 20 0 FGADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723673 718721223 /nfs/dbraw/zinc/72/12/23/718721223.db2.gz RPFFIEOXYNZTKP-BBWFWOEESA-N 1 3 350.528 3.278 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479520 718818533 /nfs/dbraw/zinc/81/85/33/718818533.db2.gz HHBVQGYOHSEUTI-NRSFXHEJSA-N 1 3 355.448 3.089 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479520 718818539 /nfs/dbraw/zinc/81/85/39/718818539.db2.gz HHBVQGYOHSEUTI-NRSFXHEJSA-N 1 3 355.448 3.089 20 0 FGADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613507 718966442 /nfs/dbraw/zinc/96/64/42/718966442.db2.gz VLWBXAHKZVXPPE-JKSUJKDBSA-N 1 3 362.543 3.089 20 0 FGADHO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657846724 719720220 /nfs/dbraw/zinc/72/02/20/719720220.db2.gz QAZSOHHMJQSCSW-OCCSQVGLSA-N 1 3 364.839 3.336 20 0 FGADHO C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665638977 720794509 /nfs/dbraw/zinc/79/45/09/720794509.db2.gz IDULMLWFPKFZSM-JKSUJKDBSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665638977 720794515 /nfs/dbraw/zinc/79/45/15/720794515.db2.gz IDULMLWFPKFZSM-JKSUJKDBSA-N 1 3 368.953 3.314 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000673615683 721668032 /nfs/dbraw/zinc/66/80/32/721668032.db2.gz WKAHMIBBAXUOCP-HXUWFJFHSA-N 1 3 362.901 3.494 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600353 721966793 /nfs/dbraw/zinc/96/67/93/721966793.db2.gz MAKCRCIGWQHKJQ-XIRDDKMYSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600353 721966794 /nfs/dbraw/zinc/96/67/94/721966794.db2.gz MAKCRCIGWQHKJQ-XIRDDKMYSA-N 1 3 356.432 3.073 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000678747491 721975441 /nfs/dbraw/zinc/97/54/41/721975441.db2.gz YYDSCOMLGKVZRP-FUHWJXTLSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554747 722415913 /nfs/dbraw/zinc/41/59/13/722415913.db2.gz YCEGUXKHFIMCEH-CGTJXYLNSA-N 1 3 353.551 3.484 20 0 FGADHO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000760840209 723097580 /nfs/dbraw/zinc/09/75/80/723097580.db2.gz GRSYRBNLYHNVAU-AEFFLSMTSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000760840209 723097582 /nfs/dbraw/zinc/09/75/82/723097582.db2.gz GRSYRBNLYHNVAU-AEFFLSMTSA-N 1 3 353.551 3.486 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@@H+]1CCC[C@@H]1C ZINC000766270225 723565500 /nfs/dbraw/zinc/56/55/00/723565500.db2.gz PKXXSNOHJGBARD-KBPBESRZSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@H+]1CCC[C@@H]1C ZINC000766270225 723565502 /nfs/dbraw/zinc/56/55/02/723565502.db2.gz PKXXSNOHJGBARD-KBPBESRZSA-N 1 3 353.894 3.140 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016193 723774610 /nfs/dbraw/zinc/77/46/10/723774610.db2.gz WNAVFVKURGLZPO-FHLIZLRMSA-N 1 3 372.912 3.239 20 0 FGADHO C[NH+]1CCC(CCNCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800233078 724169703 /nfs/dbraw/zinc/16/97/03/724169703.db2.gz PADJFWHFAGEYFX-UHFFFAOYSA-N 1 3 354.520 3.312 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809606292 725251851 /nfs/dbraw/zinc/25/18/51/725251851.db2.gz OUFWAZOURAGZHO-HUUCEWRRSA-N 1 3 353.532 3.036 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115594 725289752 /nfs/dbraw/zinc/28/97/52/725289752.db2.gz LCANAGMLYKYQDB-LPHOPBHVSA-N 1 3 369.550 3.460 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115594 725289753 /nfs/dbraw/zinc/28/97/53/725289753.db2.gz LCANAGMLYKYQDB-LPHOPBHVSA-N 1 3 369.550 3.460 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507341 725370708 /nfs/dbraw/zinc/37/07/08/725370708.db2.gz YXPLNYLXCQPSAX-KSZLIROESA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507341 725370709 /nfs/dbraw/zinc/37/07/09/725370709.db2.gz YXPLNYLXCQPSAX-KSZLIROESA-N 1 3 353.551 3.342 20 0 FGADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364723 730610880 /nfs/dbraw/zinc/61/08/80/730610880.db2.gz NGRHKXUSPAMSET-INIZCTEOSA-N 1 3 368.308 3.174 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487705 730624224 /nfs/dbraw/zinc/62/42/24/730624224.db2.gz UECDZNNGJGHQLB-QGZVFWFLSA-N 1 3 366.937 3.156 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487705 730624229 /nfs/dbraw/zinc/62/42/29/730624229.db2.gz UECDZNNGJGHQLB-QGZVFWFLSA-N 1 3 366.937 3.156 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703302 /nfs/dbraw/zinc/70/33/02/730703302.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 1 3 358.555 3.471 20 0 FGADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703305 /nfs/dbraw/zinc/70/33/05/730703305.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 1 3 358.555 3.471 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108035 731230117 /nfs/dbraw/zinc/23/01/17/731230117.db2.gz VDAMUGVWBCNRDT-BBRMVZONSA-N 1 3 356.436 3.407 20 0 FGADHO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850431211 731356596 /nfs/dbraw/zinc/35/65/96/731356596.db2.gz UPYMSFZXDRKIKC-NRFANRHFSA-N 1 3 352.563 3.452 20 0 FGADHO COC[C@H](CC1CCOCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850431211 731356599 /nfs/dbraw/zinc/35/65/99/731356599.db2.gz UPYMSFZXDRKIKC-NRFANRHFSA-N 1 3 352.563 3.452 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239515 731686774 /nfs/dbraw/zinc/68/67/74/731686774.db2.gz GYOUEAAGZMEELL-ZBFHGGJFSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239515 731686776 /nfs/dbraw/zinc/68/67/76/731686776.db2.gz GYOUEAAGZMEELL-ZBFHGGJFSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853239515 731686777 /nfs/dbraw/zinc/68/67/77/731686777.db2.gz GYOUEAAGZMEELL-ZBFHGGJFSA-N 1 3 364.921 3.164 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH3+])(CC)CC1)c1ccsc1 ZINC000891349956 739895019 /nfs/dbraw/zinc/89/50/19/739895019.db2.gz YMMJDWXDQSYVOZ-INIZCTEOSA-N 1 3 352.548 3.044 20 0 FGADHO F[C@@H]1CC2(CC[C@@H]1NC[C@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737785 740039222 /nfs/dbraw/zinc/03/92/22/740039222.db2.gz KRISXJHTQHYMCQ-NXHRZFHOSA-N 1 3 368.518 3.183 20 0 FGADHO F[C@@H]1CC2(CC[C@@H]1NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737785 740039228 /nfs/dbraw/zinc/03/92/28/740039228.db2.gz KRISXJHTQHYMCQ-NXHRZFHOSA-N 1 3 368.518 3.183 20 0 FGADHO C[C@H]1CN(Cc2cc3c(cccc3O)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894076963 742235153 /nfs/dbraw/zinc/23/51/53/742235153.db2.gz REYFHSSWWLMLOM-YJBOKZPZSA-N 1 3 359.539 3.065 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C)(N3CCC3)CC2)C1 ZINC000895670450 742438428 /nfs/dbraw/zinc/43/84/28/742438428.db2.gz IRLQVPUWMIEEIG-LJQANCHMSA-N 1 3 351.535 3.194 20 0 FGADHO [NH3+][C@@H]1CC[C@H](CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000903442072 743851908 /nfs/dbraw/zinc/85/19/08/743851908.db2.gz IHSXJSBEMLAKNR-FUHWJXTLSA-N 1 3 356.539 3.055 20 0 FGADHO O=C(c1ccccc1Cl)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832962 743887014 /nfs/dbraw/zinc/88/70/14/743887014.db2.gz ULECMVQXEWDSFH-OXQOHEQNSA-N 1 3 362.901 3.003 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127115 743994345 /nfs/dbraw/zinc/99/43/45/743994345.db2.gz IZGCXQMVQLFMMN-FZKQIMNGSA-N 1 3 373.324 3.117 20 0 FGADHO CCN(CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126710 757883912 /nfs/dbraw/zinc/88/39/12/757883912.db2.gz LLKHGRBEYYEXJH-DLBZAZTESA-N 1 3 368.616 3.079 20 0 FGADHO CCN(CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126710 757883922 /nfs/dbraw/zinc/88/39/22/757883922.db2.gz LLKHGRBEYYEXJH-DLBZAZTESA-N 1 3 368.616 3.079 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000918120252 758304833 /nfs/dbraw/zinc/30/48/33/758304833.db2.gz HDTMIMVXGYRLRH-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO [NH3+]CC[C@@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483733 759129203 /nfs/dbraw/zinc/12/92/03/759129203.db2.gz QQPNLNFFEXQDEE-GFCCVEGCSA-N 1 3 350.260 3.275 20 0 FGADHO [NH3+]CC[C@@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491678 759130557 /nfs/dbraw/zinc/13/05/57/759130557.db2.gz MDCLTCJQGAWFIO-GFCCVEGCSA-N 1 3 350.260 3.275 20 0 FGADHO CCC[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038931 759435171 /nfs/dbraw/zinc/43/51/71/759435171.db2.gz HTCDVVMONRWYQI-QAPCUYQASA-N 1 3 350.938 3.334 20 0 FGADHO [NH3+]CCC[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925590182 759511548 /nfs/dbraw/zinc/51/15/48/759511548.db2.gz NSMDCMVTLQOACX-SFHVURJKSA-N 1 3 366.914 3.184 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629016 759515242 /nfs/dbraw/zinc/51/52/42/759515242.db2.gz JQWDQDZVIZCURR-BVPBIZIASA-N 1 3 351.897 3.331 20 0 FGADHO C[C@H]([NH3+])[C@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660764 759519672 /nfs/dbraw/zinc/51/96/72/759519672.db2.gz ANKXQHUYXBNWAK-CRZVIPCUSA-N 1 3 355.448 3.470 20 0 FGADHO C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925774402 759534677 /nfs/dbraw/zinc/53/46/77/759534677.db2.gz VEBQZFURCAYWFI-SLFFLAALSA-N 1 3 350.547 3.110 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925786661 759539124 /nfs/dbraw/zinc/53/91/24/759539124.db2.gz XRSGIWGTNYGWBX-HIFRSBDPSA-N 1 3 354.445 3.112 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cc(Br)c2ccccc2c1 ZINC000925807483 759546991 /nfs/dbraw/zinc/54/69/91/759546991.db2.gz VGYSPYCNVPLRSA-IWEFOYFVSA-N 1 3 363.299 3.444 20 0 FGADHO O=C1O[C@@H](CN[C@@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850579 759558532 /nfs/dbraw/zinc/55/85/32/759558532.db2.gz JPGWMIJUETZYRH-IUODEOHRSA-N 1 3 366.914 3.152 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971567618 762913746 /nfs/dbraw/zinc/91/37/46/762913746.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971567618 762913749 /nfs/dbraw/zinc/91/37/49/762913749.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999203290 765147638 /nfs/dbraw/zinc/14/76/38/765147638.db2.gz ABKPLMGJLQDBFW-OFQRWUPVSA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000999203290 765147645 /nfs/dbraw/zinc/14/76/45/765147645.db2.gz ABKPLMGJLQDBFW-OFQRWUPVSA-N 1 3 369.962 3.212 20 0 FGADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001001420346 765286858 /nfs/dbraw/zinc/28/68/58/765286858.db2.gz IHEITOJOLGIXDB-DNVCBOLYSA-N 1 3 363.933 3.008 20 0 FGADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001001420346 765286862 /nfs/dbraw/zinc/28/68/62/765286862.db2.gz IHEITOJOLGIXDB-DNVCBOLYSA-N 1 3 363.933 3.008 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000573637237 505584159 /nfs/dbraw/zinc/58/41/59/505584159.db2.gz JWASGZKISBIVAN-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000573647697 505585976 /nfs/dbraw/zinc/58/59/76/505585976.db2.gz RDIKGIBOFOLBGA-MUMAZLPKSA-N 1 3 368.468 3.374 20 0 FGADHO c1ccc2c(c1)O[C@H](CN[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843795 505593093 /nfs/dbraw/zinc/59/30/93/505593093.db2.gz TYSRXJGZBBOBKY-LDBYXDLTSA-N 1 3 368.502 3.385 20 0 FGADHO c1ccc2c(c1)O[C@H](CN[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CS2 ZINC000570843796 505593172 /nfs/dbraw/zinc/59/31/72/505593172.db2.gz TYSRXJGZBBOBKY-QLVMHMETSA-N 1 3 368.502 3.385 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674960 505593574 /nfs/dbraw/zinc/59/35/74/505593574.db2.gz RPQFOADDHUKGSZ-XLSPSMHOSA-N 1 3 369.509 3.091 20 0 FGADHO CC(C)OC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000570870888 505599424 /nfs/dbraw/zinc/59/94/24/505599424.db2.gz PXLXDPQQLRUHDD-FPOVZHCZSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870888 505599427 /nfs/dbraw/zinc/59/94/27/505599427.db2.gz PXLXDPQQLRUHDD-FPOVZHCZSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870888 505599430 /nfs/dbraw/zinc/59/94/30/505599430.db2.gz PXLXDPQQLRUHDD-FPOVZHCZSA-N 1 3 360.542 3.318 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078966 505659992 /nfs/dbraw/zinc/65/99/92/505659992.db2.gz SOGNGTFTLRCHMQ-KRWDZBQOSA-N 1 3 362.543 3.081 20 0 FGADHO OCCCSCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000573987895 505667133 /nfs/dbraw/zinc/66/71/33/505667133.db2.gz JKAJDYUSQSXZFG-PWRODBHTSA-N 1 3 362.583 3.382 20 0 FGADHO CSc1ccc(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000574019065 505675139 /nfs/dbraw/zinc/67/51/39/505675139.db2.gz AOAURPLYLZSQAB-SFHVURJKSA-N 1 3 366.571 3.200 20 0 FGADHO CSc1ccc(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000574019065 505675143 /nfs/dbraw/zinc/67/51/43/505675143.db2.gz AOAURPLYLZSQAB-SFHVURJKSA-N 1 3 366.571 3.200 20 0 FGADHO CN1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722581 493863789 /nfs/dbraw/zinc/86/37/89/493863789.db2.gz UHHQWCQURGOAJN-CYBMUJFWSA-N 1 3 369.303 3.042 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)CC(C)C ZINC000081395663 493886246 /nfs/dbraw/zinc/88/62/46/493886246.db2.gz QSUVUDAJMBYKFQ-NRFANRHFSA-N 1 3 374.573 3.166 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000571240143 505686893 /nfs/dbraw/zinc/68/68/93/505686893.db2.gz FXRNEUKMDQKBRQ-VQTJNVASSA-N 1 3 359.558 3.107 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000050802099 493935814 /nfs/dbraw/zinc/93/58/14/493935814.db2.gz NRVPMBCNRXISHN-UHFFFAOYSA-N 1 3 351.494 3.128 20 0 FGADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085365684 494117333 /nfs/dbraw/zinc/11/73/33/494117333.db2.gz RPWOBXRMFFYOQS-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1C ZINC000072599805 494214811 /nfs/dbraw/zinc/21/48/11/494214811.db2.gz VZSZJDNJVLNUDO-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1C ZINC000072599805 494214815 /nfs/dbraw/zinc/21/48/15/494214815.db2.gz VZSZJDNJVLNUDO-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)Cn2ccnc2C)CC1 ZINC000088702301 494256813 /nfs/dbraw/zinc/25/68/13/494256813.db2.gz UIVIXOBOBOOONA-LJQANCHMSA-N 1 3 369.557 3.149 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231292 494276652 /nfs/dbraw/zinc/27/66/52/494276652.db2.gz ZPJQUTFCAUIHRI-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231292 494276653 /nfs/dbraw/zinc/27/66/53/494276653.db2.gz ZPJQUTFCAUIHRI-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CN(CCOc1c(Cl)cccc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000089269447 494282539 /nfs/dbraw/zinc/28/25/39/494282539.db2.gz WMKBYPSWJFTGFT-UHFFFAOYSA-N 1 3 374.356 3.330 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568506533 505711997 /nfs/dbraw/zinc/71/19/97/505711997.db2.gz ZIHLDMOIJLGHTD-OAQYLSRUSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568506533 505712001 /nfs/dbraw/zinc/71/20/01/505712001.db2.gz ZIHLDMOIJLGHTD-OAQYLSRUSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000078668761 494339795 /nfs/dbraw/zinc/33/97/95/494339795.db2.gz CLMDUBADRQMJOZ-SFHVURJKSA-N 1 3 360.546 3.200 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000078668761 494339799 /nfs/dbraw/zinc/33/97/99/494339799.db2.gz CLMDUBADRQMJOZ-SFHVURJKSA-N 1 3 360.546 3.200 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000073327695 494358652 /nfs/dbraw/zinc/35/86/52/494358652.db2.gz UCWVQBIQMAUTKF-HXUWFJFHSA-N 1 3 370.541 3.083 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(CN(C)C)cc1 ZINC000066725930 494395619 /nfs/dbraw/zinc/39/56/19/494395619.db2.gz KNGNURCIKALWMS-UHFFFAOYSA-N 1 3 353.510 3.472 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000074100437 494481527 /nfs/dbraw/zinc/48/15/27/494481527.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000074100437 494481531 /nfs/dbraw/zinc/48/15/31/494481531.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000577420175 505723756 /nfs/dbraw/zinc/72/37/56/505723756.db2.gz TWRBMJXSRBSBPT-LJQANCHMSA-N 1 3 352.478 3.253 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091285080 494578070 /nfs/dbraw/zinc/57/80/70/494578070.db2.gz YCBCBOLEHVGIBS-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131361057 494594779 /nfs/dbraw/zinc/59/47/79/494594779.db2.gz FTPTYZKIFORVKX-GOSISDBHSA-N 1 3 368.525 3.473 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000121166617 494628274 /nfs/dbraw/zinc/62/82/74/494628274.db2.gz DLPBTJDANRXITB-JKSUJKDBSA-N 1 3 368.363 3.373 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000115813821 494629365 /nfs/dbraw/zinc/62/93/65/494629365.db2.gz APTJRHPKVSMNKG-FPOVZHCZSA-N 1 3 372.557 3.115 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000115813821 494629371 /nfs/dbraw/zinc/62/93/71/494629371.db2.gz APTJRHPKVSMNKG-FPOVZHCZSA-N 1 3 372.557 3.115 20 0 FGADHO CCC[NH2+][C@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000574273965 505735680 /nfs/dbraw/zinc/73/56/80/505735680.db2.gz XORNZRHSKGZYTE-QGZVFWFLSA-N 1 3 353.510 3.420 20 0 FGADHO COc1c(C)cnc(CN2CCC([N@H+](C)CC[C@@H]3CCCN3C)CC2)c1C ZINC000091708150 494655711 /nfs/dbraw/zinc/65/57/11/494655711.db2.gz LUPWZZNEWMQFTP-IBGZPJMESA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC([N@@H+](C)CC[C@@H]3CCCN3C)CC2)c1C ZINC000091708150 494655719 /nfs/dbraw/zinc/65/57/19/494655719.db2.gz LUPWZZNEWMQFTP-IBGZPJMESA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC(N(C)CC[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000091708150 494655724 /nfs/dbraw/zinc/65/57/24/494655724.db2.gz LUPWZZNEWMQFTP-IBGZPJMESA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC(N(C)CC[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000091708150 494655735 /nfs/dbraw/zinc/65/57/35/494655735.db2.gz LUPWZZNEWMQFTP-IBGZPJMESA-N 1 3 374.573 3.088 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355505 494717340 /nfs/dbraw/zinc/71/73/40/494717340.db2.gz NEZPEPJWFGPOBF-CVEARBPZSA-N 1 3 353.938 3.273 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108549649 494735112 /nfs/dbraw/zinc/73/51/12/494735112.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 1 3 372.557 3.060 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108549649 494735121 /nfs/dbraw/zinc/73/51/21/494735121.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 1 3 372.557 3.060 20 0 FGADHO CCC(CC)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820886 494761042 /nfs/dbraw/zinc/76/10/42/494761042.db2.gz CVMFFCWFEPCKCN-QGZVFWFLSA-N 1 3 360.546 3.313 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885562 494788301 /nfs/dbraw/zinc/78/83/01/494788301.db2.gz ACFRSORLNYBEON-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885562 494788307 /nfs/dbraw/zinc/78/83/07/494788307.db2.gz ACFRSORLNYBEON-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000121731650 494847303 /nfs/dbraw/zinc/84/73/03/494847303.db2.gz PUSUQPVACVUQER-CQSZACIVSA-N 1 3 356.507 3.002 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COCC)C2)CC1 ZINC000093419171 494890195 /nfs/dbraw/zinc/89/01/95/494890195.db2.gz ZGHFMHLOYDRJSX-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](COCC)C2)CC1 ZINC000093419171 494890199 /nfs/dbraw/zinc/89/01/99/494890199.db2.gz ZGHFMHLOYDRJSX-FQEVSTJZSA-N 1 3 359.558 3.467 20 0 FGADHO CCc1ccc(CC)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122130716 494929395 /nfs/dbraw/zinc/92/93/95/494929395.db2.gz YZCDPERCGJVDRL-UHFFFAOYSA-N 1 3 372.557 3.492 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000122713215 495019505 /nfs/dbraw/zinc/01/95/05/495019505.db2.gz FWQLTEHNJQYCSZ-SMOSDQRPSA-N 1 3 365.949 3.032 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000101596086 495083182 /nfs/dbraw/zinc/08/31/82/495083182.db2.gz DMZHTWNOCUOKOD-HNNXBMFYSA-N 1 3 360.420 3.458 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000102005434 495114303 /nfs/dbraw/zinc/11/43/03/495114303.db2.gz FBDDQHKUHDKIBZ-FQEVSTJZSA-N 1 3 360.546 3.019 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123401075 495126830 /nfs/dbraw/zinc/12/68/30/495126830.db2.gz GMPBOLXWQCHJOS-DLBZAZTESA-N 1 3 363.521 3.445 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119421606 495163237 /nfs/dbraw/zinc/16/32/37/495163237.db2.gz ZGIWLDGWUXWFFY-ZIAGYGMSSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119421606 495163240 /nfs/dbraw/zinc/16/32/40/495163240.db2.gz ZGIWLDGWUXWFFY-ZIAGYGMSSA-N 1 3 365.905 3.140 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000134635080 495179297 /nfs/dbraw/zinc/17/92/97/495179297.db2.gz YDFCEUVZOVTVJC-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000134635080 495179302 /nfs/dbraw/zinc/17/93/02/495179302.db2.gz YDFCEUVZOVTVJC-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CCc1ccc(CN(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000577623721 505766891 /nfs/dbraw/zinc/76/68/91/505766891.db2.gz YPQKWLRNTLNYLI-UHFFFAOYSA-N 1 3 371.569 3.404 20 0 FGADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119779972 495239156 /nfs/dbraw/zinc/23/91/56/495239156.db2.gz SUMSRHGFAUPVIX-FQEVSTJZSA-N 1 3 365.949 3.177 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135365879 495282921 /nfs/dbraw/zinc/28/29/21/495282921.db2.gz CPJRYSBSSJYFNP-JOCHJYFZSA-N 1 3 371.569 3.463 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000129728861 495287294 /nfs/dbraw/zinc/28/72/94/495287294.db2.gz NVPRWJGVCNONCM-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000129728861 495287298 /nfs/dbraw/zinc/28/72/98/495287298.db2.gz NVPRWJGVCNONCM-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CO[C@H](C)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120060750 495298752 /nfs/dbraw/zinc/29/87/52/495298752.db2.gz RLYINFYUIYPXOZ-MRXNPFEDSA-N 1 3 374.529 3.074 20 0 FGADHO CC(C)Oc1c(Cl)cccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120144928 495315412 /nfs/dbraw/zinc/31/54/12/495315412.db2.gz DVBDHWVJFAEQGR-UHFFFAOYSA-N 1 3 370.925 3.084 20 0 FGADHO O=C(CN1CCCCC[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315036 495350295 /nfs/dbraw/zinc/35/02/95/495350295.db2.gz BCSJQOSIDALWFS-NRFANRHFSA-N 1 3 355.526 3.347 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000138157165 495456543 /nfs/dbraw/zinc/45/65/43/495456543.db2.gz IOIPPQTVQFDTQD-CBNMVNINSA-N 1 3 372.557 3.071 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106513842 495460078 /nfs/dbraw/zinc/46/00/78/495460078.db2.gz ZUBJBAJQAGEWLB-PZJWPPBQSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513842 495460083 /nfs/dbraw/zinc/46/00/83/495460083.db2.gz ZUBJBAJQAGEWLB-PZJWPPBQSA-N 1 3 370.541 3.140 20 0 FGADHO Cc1cc(C)cc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000107335575 495525430 /nfs/dbraw/zinc/52/54/30/495525430.db2.gz MULUYRAJNYWXAJ-SFHVURJKSA-N 1 3 372.557 3.222 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000185386176 495558164 /nfs/dbraw/zinc/55/81/64/495558164.db2.gz MWAISZIFKOEHSA-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154266304 495561536 /nfs/dbraw/zinc/56/15/36/495561536.db2.gz QHWSHYALYNUSKE-YJBOKZPZSA-N 1 3 355.482 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154266304 495561539 /nfs/dbraw/zinc/56/15/39/495561539.db2.gz QHWSHYALYNUSKE-YJBOKZPZSA-N 1 3 355.482 3.051 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154302740 495573743 /nfs/dbraw/zinc/57/37/43/495573743.db2.gz AOMYMMVJADNYCN-INIZCTEOSA-N 1 3 351.560 3.095 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154326111 495582307 /nfs/dbraw/zinc/58/23/07/495582307.db2.gz DPDINCXPDCBPMQ-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173561437 495588814 /nfs/dbraw/zinc/58/88/14/495588814.db2.gz DWXIFLWGKHIVEZ-YLJYHZDGSA-N 1 3 360.546 3.153 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCC3CCCC3)CC2)CC1 ZINC000176382347 495629533 /nfs/dbraw/zinc/62/95/33/495629533.db2.gz MNNGNAPKYYELAP-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869574 505797219 /nfs/dbraw/zinc/79/72/19/505797219.db2.gz UITIKFALLACQSP-USXIJHARSA-N 1 3 369.431 3.056 20 0 FGADHO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150976732 495700239 /nfs/dbraw/zinc/70/02/39/495700239.db2.gz RAIHTGFKZXZLLF-QFIPXVFZSA-N 1 3 361.574 3.494 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000577847554 505804070 /nfs/dbraw/zinc/80/40/70/505804070.db2.gz VGSDTTQIRRXXTF-CSODHUTKSA-N 1 3 366.509 3.059 20 0 FGADHO CC(C)(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000574571561 505805748 /nfs/dbraw/zinc/80/57/48/505805748.db2.gz PVNPEQAPEDSOQN-AABGKKOBSA-N 1 3 369.484 3.195 20 0 FGADHO CC(C)[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000171435868 495872685 /nfs/dbraw/zinc/87/26/85/495872685.db2.gz YEXKXENMLQEAAZ-HKUYNNGSSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905785 /nfs/dbraw/zinc/90/57/85/495905785.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905792 /nfs/dbraw/zinc/90/57/92/495905792.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(OCCN(C)C)cc1 ZINC000155478437 495969033 /nfs/dbraw/zinc/96/90/33/495969033.db2.gz ABZHBIPEONNVEO-GOSISDBHSA-N 1 3 361.530 3.070 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571489 496000138 /nfs/dbraw/zinc/00/01/38/496000138.db2.gz ZKWBRZZSPDYBHR-QAPCUYQASA-N 1 3 351.922 3.169 20 0 FGADHO CC[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183498807 496010352 /nfs/dbraw/zinc/01/03/52/496010352.db2.gz LYQDQKJQKPBWKU-HXUWFJFHSA-N 1 3 356.514 3.178 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556058 496029124 /nfs/dbraw/zinc/02/91/24/496029124.db2.gz LQLRPHSHXJMZTM-QFIPXVFZSA-N 1 3 370.516 3.173 20 0 FGADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Cl)c2cccnc12 ZINC000177376269 496037618 /nfs/dbraw/zinc/03/76/18/496037618.db2.gz NXDVTBKMDOCSCL-UHFFFAOYSA-N 1 3 360.933 3.346 20 0 FGADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(Cl)c2cccnc12 ZINC000177376269 496037622 /nfs/dbraw/zinc/03/76/22/496037622.db2.gz NXDVTBKMDOCSCL-UHFFFAOYSA-N 1 3 360.933 3.346 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@@H](C)O1 ZINC000177489782 496083858 /nfs/dbraw/zinc/08/38/58/496083858.db2.gz CGOUIKPAVVFJNS-WOJBJXKFSA-N 1 3 362.562 3.265 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](C)C1 ZINC000177507563 496091609 /nfs/dbraw/zinc/09/16/09/496091609.db2.gz SQUPBNDXJDYLNM-ROUUACIJSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000577947592 505825001 /nfs/dbraw/zinc/82/50/01/505825001.db2.gz NUMOSPFMOMAXMS-KJXAQDMKSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000577947592 505825004 /nfs/dbraw/zinc/82/50/04/505825004.db2.gz NUMOSPFMOMAXMS-KJXAQDMKSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000577947592 505825009 /nfs/dbraw/zinc/82/50/09/505825009.db2.gz NUMOSPFMOMAXMS-KJXAQDMKSA-N 1 3 352.522 3.305 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671669 505828419 /nfs/dbraw/zinc/82/84/19/505828419.db2.gz OMKQPBVLEBXBMH-VQTJNVASSA-N 1 3 361.530 3.240 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000184233673 496297328 /nfs/dbraw/zinc/29/73/28/496297328.db2.gz FCLZUHWALUWPDL-AZUAARDMSA-N 1 3 357.542 3.455 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034292 496298044 /nfs/dbraw/zinc/29/80/44/496298044.db2.gz OZGMQNCGDWPLDW-KGLIPLIRSA-N 1 3 372.326 3.265 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000181264896 496332940 /nfs/dbraw/zinc/33/29/40/496332940.db2.gz LORZCMFXKBKVGX-UHFFFAOYSA-N 1 3 350.503 3.325 20 0 FGADHO COc1cc(OC)cc(OCCCNC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000181264896 496332942 /nfs/dbraw/zinc/33/29/42/496332942.db2.gz LORZCMFXKBKVGX-UHFFFAOYSA-N 1 3 350.503 3.325 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC000153039498 496333931 /nfs/dbraw/zinc/33/39/31/496333931.db2.gz VOLZZZFIAYNDQC-SFHVURJKSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC000153039498 496333932 /nfs/dbraw/zinc/33/39/32/496333932.db2.gz VOLZZZFIAYNDQC-SFHVURJKSA-N 1 3 350.482 3.014 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389595 496347079 /nfs/dbraw/zinc/34/70/79/496347079.db2.gz MEGBLNZBTIGZFW-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412994 496348700 /nfs/dbraw/zinc/34/87/00/496348700.db2.gz KTHBUGKUGPGILF-TZIWHRDSSA-N 1 3 374.573 3.299 20 0 FGADHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000181345234 496360959 /nfs/dbraw/zinc/36/09/59/496360959.db2.gz FKQSGKQLZOVWGN-SFHVURJKSA-N 1 3 351.494 3.249 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000157453155 496479732 /nfs/dbraw/zinc/47/97/32/496479732.db2.gz FUFQSOLCBINJSJ-UHFFFAOYSA-N 1 3 374.573 3.400 20 0 FGADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157534524 496498107 /nfs/dbraw/zinc/49/81/07/496498107.db2.gz LXCCSMXMNOSPOX-AWEZNQCLSA-N 1 3 369.351 3.421 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628240 496518128 /nfs/dbraw/zinc/51/81/28/496518128.db2.gz KBPQNAKBWKUUOZ-LJQANCHMSA-N 1 3 360.546 3.492 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628240 496518132 /nfs/dbraw/zinc/51/81/32/496518132.db2.gz KBPQNAKBWKUUOZ-LJQANCHMSA-N 1 3 360.546 3.492 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)cc1 ZINC000163579881 496534385 /nfs/dbraw/zinc/53/43/85/496534385.db2.gz AWXQBAWFVYUSLA-QGZVFWFLSA-N 1 3 364.497 3.355 20 0 FGADHO Cn1cc(-c2cc(CN3CCC(CCC[NH+]4CCCC4)CC3)on2)cn1 ZINC000185041318 496632596 /nfs/dbraw/zinc/63/25/96/496632596.db2.gz FVRHCZOETKQPKQ-UHFFFAOYSA-N 1 3 357.502 3.163 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000173359954 496658269 /nfs/dbraw/zinc/65/82/69/496658269.db2.gz MWELCNNOCPCGFV-ULQDDVLXSA-N 1 3 350.503 3.244 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166245967 496680899 /nfs/dbraw/zinc/68/08/99/496680899.db2.gz PVWLLUCLLXZFMY-DLBZAZTESA-N 1 3 371.447 3.347 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179122414 496682022 /nfs/dbraw/zinc/68/20/22/496682022.db2.gz HHMWMWOJWOWXPL-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166329444 496683615 /nfs/dbraw/zinc/68/36/15/496683615.db2.gz RXACMQFGWZRBOB-RXVVDRJESA-N 1 3 357.542 3.274 20 0 FGADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414700 496686886 /nfs/dbraw/zinc/68/68/86/496686886.db2.gz LRJUBHXYLGRACW-VSKRKVRLSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414700 496686896 /nfs/dbraw/zinc/68/68/96/496686896.db2.gz LRJUBHXYLGRACW-VSKRKVRLSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414700 496686903 /nfs/dbraw/zinc/68/69/03/496686903.db2.gz LRJUBHXYLGRACW-VSKRKVRLSA-N 1 3 369.553 3.388 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000580882059 505860277 /nfs/dbraw/zinc/86/02/77/505860277.db2.gz JAIOHGXTFFMBHQ-SFTDATJTSA-N 1 3 368.525 3.355 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000580882059 505860279 /nfs/dbraw/zinc/86/02/79/505860279.db2.gz JAIOHGXTFFMBHQ-SFTDATJTSA-N 1 3 368.525 3.355 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(OCCN(C)C)c1 ZINC000168150666 496708859 /nfs/dbraw/zinc/70/88/59/496708859.db2.gz LGUMUMWUXYYRHG-FUHWJXTLSA-N 1 3 372.488 3.091 20 0 FGADHO CC1CCN([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000185236414 496714099 /nfs/dbraw/zinc/71/40/99/496714099.db2.gz WSBHXKDFMCMQBJ-QGZVFWFLSA-N 1 3 366.575 3.114 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000182243861 496718503 /nfs/dbraw/zinc/71/85/03/496718503.db2.gz DRNLIKHBTJXGRS-SFHVURJKSA-N 1 3 366.933 3.196 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000246947832 496732680 /nfs/dbraw/zinc/73/26/80/496732680.db2.gz NVXVBAHMTOABGP-UYAOXDASSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000246947832 496732683 /nfs/dbraw/zinc/73/26/83/496732683.db2.gz NVXVBAHMTOABGP-UYAOXDASSA-N 1 3 357.542 3.475 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000277339485 496740657 /nfs/dbraw/zinc/74/06/57/496740657.db2.gz SIHMXKJPACGBRV-HXUWFJFHSA-N 1 3 357.542 3.231 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214088 496806523 /nfs/dbraw/zinc/80/65/23/496806523.db2.gz XEYQUTZCJKMYRF-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214088 496806524 /nfs/dbraw/zinc/80/65/24/496806524.db2.gz XEYQUTZCJKMYRF-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214088 496806528 /nfs/dbraw/zinc/80/65/28/496806528.db2.gz XEYQUTZCJKMYRF-IAGOWNOFSA-N 1 3 365.949 3.399 20 0 FGADHO CCOc1ccc([C@H](CC)NCCC[NH+]2CCC(O)CC2)cc1OCC ZINC000268882213 496812585 /nfs/dbraw/zinc/81/25/85/496812585.db2.gz XXOMAGPKLGVTGB-IBGZPJMESA-N 1 3 364.530 3.372 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000247325966 496835338 /nfs/dbraw/zinc/83/53/38/496835338.db2.gz XJELSTSHGXOUNL-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000268996085 496844363 /nfs/dbraw/zinc/84/43/63/496844363.db2.gz NSMQOCYVUHORML-CYBMUJFWSA-N 1 3 362.461 3.448 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496858017 /nfs/dbraw/zinc/85/80/17/496858017.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 1 3 374.573 3.411 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496858022 /nfs/dbraw/zinc/85/80/22/496858022.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 1 3 374.573 3.411 20 0 FGADHO CCCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195342842 496896968 /nfs/dbraw/zinc/89/69/68/496896968.db2.gz QXYXPHOVWIOESY-UHFFFAOYSA-N 1 3 358.530 3.319 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000269258904 496906037 /nfs/dbraw/zinc/90/60/37/496906037.db2.gz LKYRCCYUMRGBNK-KSCDAYEDSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000269258904 496906039 /nfs/dbraw/zinc/90/60/39/496906039.db2.gz LKYRCCYUMRGBNK-KSCDAYEDSA-N 1 3 365.521 3.349 20 0 FGADHO CN1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980890 496937231 /nfs/dbraw/zinc/93/72/31/496937231.db2.gz HLVRCDYJWVQJQF-FGZHOGPDSA-N 1 3 363.505 3.458 20 0 FGADHO C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000572056701 505879585 /nfs/dbraw/zinc/87/95/85/505879585.db2.gz YEYCXNQXGZXORL-MRXNPFEDSA-N 1 3 363.933 3.010 20 0 FGADHO C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000572056701 505879590 /nfs/dbraw/zinc/87/95/90/505879590.db2.gz YEYCXNQXGZXORL-MRXNPFEDSA-N 1 3 363.933 3.010 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888009 497018691 /nfs/dbraw/zinc/01/86/91/497018691.db2.gz VDPRMMMYLQVJGA-JOCHJYFZSA-N 1 3 359.558 3.024 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCCCC2 ZINC000248463701 497020649 /nfs/dbraw/zinc/02/06/49/497020649.db2.gz ZCAZHTKIXFDSLO-YPAWHYETSA-N 1 3 372.553 3.471 20 0 FGADHO CCOC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828301 497112811 /nfs/dbraw/zinc/11/28/11/497112811.db2.gz GTSPNQWSAKCTJB-WTGUMLROSA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828301 497112813 /nfs/dbraw/zinc/11/28/13/497112813.db2.gz GTSPNQWSAKCTJB-WTGUMLROSA-N 1 3 357.498 3.002 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000265424215 497118171 /nfs/dbraw/zinc/11/81/71/497118171.db2.gz KFRVEIVMWUCKPT-UHFFFAOYSA-N 1 3 372.944 3.348 20 0 FGADHO Cc1nn(C)c2ncc(CNCc3cccc(C[N@@H+](C)C(C)C)c3)cc12 ZINC000236669367 497129529 /nfs/dbraw/zinc/12/95/29/497129529.db2.gz ALSGVSSIQQCVGX-UHFFFAOYSA-N 1 3 351.498 3.407 20 0 FGADHO Cc1nn(C)c2ncc(CNCc3cccc(C[N@H+](C)C(C)C)c3)cc12 ZINC000236669367 497129535 /nfs/dbraw/zinc/12/95/35/497129535.db2.gz ALSGVSSIQQCVGX-UHFFFAOYSA-N 1 3 351.498 3.407 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000274647501 497137513 /nfs/dbraw/zinc/13/75/13/497137513.db2.gz CFJIBCYWAREWIX-WMZOPIPTSA-N 1 3 373.541 3.258 20 0 FGADHO CCCN1CCN(c2ccccc2CN[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236803997 497148567 /nfs/dbraw/zinc/14/85/67/497148567.db2.gz ADZOPEXJRWMQOZ-RTWAWAEBSA-N 1 3 358.574 3.181 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000265704784 497164531 /nfs/dbraw/zinc/16/45/31/497164531.db2.gz AKLCGSKPTKZZNO-WSTZPKSXSA-N 1 3 360.546 3.021 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000237103536 497191248 /nfs/dbraw/zinc/19/12/48/497191248.db2.gz YGHQJVDVZRJYAG-UHFFFAOYSA-N 1 3 366.509 3.190 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000192790412 497214882 /nfs/dbraw/zinc/21/48/82/497214882.db2.gz FEYSQYPWBARGKD-FQEVSTJZSA-N 1 3 358.574 3.354 20 0 FGADHO C[C@@H](CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237299126 497216445 /nfs/dbraw/zinc/21/64/45/497216445.db2.gz ISZUQKCLBIHTRT-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237600146 497261638 /nfs/dbraw/zinc/26/16/38/497261638.db2.gz HKAAOGSQNLHJSW-MSOLQXFVSA-N 1 3 357.542 3.354 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000189872852 497275864 /nfs/dbraw/zinc/27/58/64/497275864.db2.gz PYVQPXFXAMSZML-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753143 497286565 /nfs/dbraw/zinc/28/65/65/497286565.db2.gz WVKAOYFRBJDFLA-LJQANCHMSA-N 1 3 373.516 3.028 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)NC1CCCC1 ZINC000189951134 497304033 /nfs/dbraw/zinc/30/40/33/497304033.db2.gz NPWWMEZTFYWNIN-QZTJIDSGSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H](NC(=O)[C@H](N)CC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261585062 497416171 /nfs/dbraw/zinc/41/61/71/497416171.db2.gz IFYJXGGEBCJGFN-DZFGPLHGSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](NC(=O)[C@H](N)CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585062 497416177 /nfs/dbraw/zinc/41/61/77/497416177.db2.gz IFYJXGGEBCJGFN-DZFGPLHGSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573460 497416229 /nfs/dbraw/zinc/41/62/29/497416229.db2.gz APSJUSOSTPLNCI-IOMROCGXSA-N 1 3 351.494 3.055 20 0 FGADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826644 497457805 /nfs/dbraw/zinc/45/78/05/497457805.db2.gz NXAULELSMKWRPK-NRFANRHFSA-N 1 3 357.542 3.266 20 0 FGADHO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480636 /nfs/dbraw/zinc/48/06/36/497480636.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 1 3 373.504 3.046 20 0 FGADHO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480640 /nfs/dbraw/zinc/48/06/40/497480640.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 1 3 373.504 3.046 20 0 FGADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977588 497486349 /nfs/dbraw/zinc/48/63/49/497486349.db2.gz GQEOVIPNVFZDNA-LSDHHAIUSA-N 1 3 351.922 3.227 20 0 FGADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671745 497495432 /nfs/dbraw/zinc/49/54/32/497495432.db2.gz HLPWQAVQHNQLMJ-BXXSPATCSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671745 497495440 /nfs/dbraw/zinc/49/54/40/497495440.db2.gz HLPWQAVQHNQLMJ-BXXSPATCSA-N 1 3 350.506 3.375 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262079138 497505364 /nfs/dbraw/zinc/50/53/64/497505364.db2.gz AQCBGBICVKFFNM-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)Cc2ccccc2)C1 ZINC000262079138 497505367 /nfs/dbraw/zinc/50/53/67/497505367.db2.gz AQCBGBICVKFFNM-PGRDOPGGSA-N 1 3 365.521 3.105 20 0 FGADHO CCc1nocc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000581111878 505911830 /nfs/dbraw/zinc/91/18/30/505911830.db2.gz MEXJHDQVLLZACU-UHFFFAOYSA-N 1 3 356.514 3.237 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000267314404 497524074 /nfs/dbraw/zinc/52/40/74/497524074.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000267314404 497524078 /nfs/dbraw/zinc/52/40/78/497524078.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 1 3 372.557 3.021 20 0 FGADHO CN1CCC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277937 497533152 /nfs/dbraw/zinc/53/31/52/497533152.db2.gz KDRXWUVVQJBRPN-HOCLYGCPSA-N 1 3 354.420 3.027 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194069637 497562734 /nfs/dbraw/zinc/56/27/34/497562734.db2.gz NPUGBZSMXLSZNG-YPAWHYETSA-N 1 3 370.537 3.081 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC2(C[NH3+])CCCCC2)N2CCCC2)c1 ZINC000262682046 497599392 /nfs/dbraw/zinc/59/93/92/497599392.db2.gz SZIUWVGMYJMIJX-FQEVSTJZSA-N 1 3 373.541 3.248 20 0 FGADHO CCC[C@@](C)([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000262718835 497607661 /nfs/dbraw/zinc/60/76/61/497607661.db2.gz XMTLSMXZHXFEEV-LJQANCHMSA-N 1 3 351.922 3.186 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(N(C)C)c3C)CC2)CC1 ZINC000578336675 505917559 /nfs/dbraw/zinc/91/75/59/505917559.db2.gz MIJOULRUTCXZBV-UHFFFAOYSA-N 1 3 372.557 3.196 20 0 FGADHO CCC(CC)(CNC(=O)[C@@H](N)CCSC)[NH2+][C@@H](C)c1ccccc1 ZINC000272470852 497638040 /nfs/dbraw/zinc/63/80/40/497638040.db2.gz QDVBVGQAMWDECO-RDJZCZTQSA-N 1 3 351.560 3.093 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268049210 497668501 /nfs/dbraw/zinc/66/85/01/497668501.db2.gz ZJRDHVPKURTFOF-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268049210 497668507 /nfs/dbraw/zinc/66/85/07/497668507.db2.gz ZJRDHVPKURTFOF-GOSISDBHSA-N 1 3 364.534 3.007 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246269197 497679044 /nfs/dbraw/zinc/67/90/44/497679044.db2.gz AIWLPQMSEYHIHU-RTBURBONSA-N 1 3 374.573 3.393 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246269197 497679048 /nfs/dbraw/zinc/67/90/48/497679048.db2.gz AIWLPQMSEYHIHU-RTBURBONSA-N 1 3 374.573 3.393 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705715 497707417 /nfs/dbraw/zinc/70/74/17/497707417.db2.gz GMUJLTCWMLYYCA-CRAIPNDOSA-N 1 3 364.559 3.081 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705715 497707422 /nfs/dbraw/zinc/70/74/22/497707422.db2.gz GMUJLTCWMLYYCA-CRAIPNDOSA-N 1 3 364.559 3.081 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)cc2)C1 ZINC000246402926 497721635 /nfs/dbraw/zinc/72/16/35/497721635.db2.gz KADRFQKNWLKDDA-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](N(C)C)C3)cc2)C1 ZINC000246402926 497721642 /nfs/dbraw/zinc/72/16/42/497721642.db2.gz KADRFQKNWLKDDA-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246409124 497723757 /nfs/dbraw/zinc/72/37/57/497723757.db2.gz DYTCHRQKVKHOJN-GFOJFJKKSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@@H](O)Cc1ccccc1 ZINC000246434344 497733915 /nfs/dbraw/zinc/73/39/15/497733915.db2.gz ODKFMSGVBJRGEF-SVMVAKDDSA-N 1 3 356.510 3.270 20 0 FGADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560497 497773729 /nfs/dbraw/zinc/77/37/29/497773729.db2.gz LRJUBHXYLGRACW-FSSWDIPSSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560497 497773734 /nfs/dbraw/zinc/77/37/34/497773734.db2.gz LRJUBHXYLGRACW-FSSWDIPSSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246560497 497773740 /nfs/dbraw/zinc/77/37/40/497773740.db2.gz LRJUBHXYLGRACW-FSSWDIPSSA-N 1 3 369.553 3.388 20 0 FGADHO C[C@@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000299537595 497839003 /nfs/dbraw/zinc/83/90/03/497839003.db2.gz GMKLRWYNZIQNQD-SFHVURJKSA-N 1 3 372.557 3.038 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000572319054 505940280 /nfs/dbraw/zinc/94/02/80/505940280.db2.gz FIBSWLMDMZUJFK-NQIIRXRSSA-N 1 3 369.509 3.280 20 0 FGADHO CCN(Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1)C1CC1 ZINC000569481632 505945683 /nfs/dbraw/zinc/94/56/83/505945683.db2.gz MQRQKYLLEREAQJ-UHFFFAOYSA-N 1 3 353.466 3.261 20 0 FGADHO c1cn(Cc2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000569566676 505966580 /nfs/dbraw/zinc/96/65/80/505966580.db2.gz OSBHZFVKJRGVPU-GGAORHGYSA-N 1 3 374.488 3.277 20 0 FGADHO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285613888 498147084 /nfs/dbraw/zinc/14/70/84/498147084.db2.gz KIQHFKWASHZIPJ-INIZCTEOSA-N 1 3 365.477 3.333 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000289440440 498147452 /nfs/dbraw/zinc/14/74/52/498147452.db2.gz LWECRHCOCGRURE-UHFFFAOYSA-N 1 3 351.498 3.360 20 0 FGADHO CN1CCN(CC2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000289455444 498153666 /nfs/dbraw/zinc/15/36/66/498153666.db2.gz NTNDTMDRINFPEO-UHFFFAOYSA-N 1 3 364.537 3.208 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285640505 498156614 /nfs/dbraw/zinc/15/66/14/498156614.db2.gz LTNLBLKUXJACIY-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289579781 498203321 /nfs/dbraw/zinc/20/33/21/498203321.db2.gz TWHMSNXPHSWSGF-RTBURBONSA-N 1 3 358.482 3.063 20 0 FGADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281753376 498258387 /nfs/dbraw/zinc/25/83/87/498258387.db2.gz WAEKZFKSHXMFAI-GHTZIAJQSA-N 1 3 370.468 3.178 20 0 FGADHO COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000281753376 498258396 /nfs/dbraw/zinc/25/83/96/498258396.db2.gz WAEKZFKSHXMFAI-GHTZIAJQSA-N 1 3 370.468 3.178 20 0 FGADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1nc(-c2ccccc2)no1 ZINC000578734293 506008463 /nfs/dbraw/zinc/00/84/63/506008463.db2.gz BLRYTOBLCKDZOJ-MRXNPFEDSA-N 1 3 363.465 3.494 20 0 FGADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)C2 ZINC000360999106 498331378 /nfs/dbraw/zinc/33/13/78/498331378.db2.gz MSRCBYQLDXEKIM-ZVXPMLRVSA-N 1 3 362.521 3.143 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)CC3 ZINC000361068873 498341538 /nfs/dbraw/zinc/34/15/38/498341538.db2.gz RPOMJWSQNLUUES-ROUUACIJSA-N 1 3 366.553 3.092 20 0 FGADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCCC3)CC1 ZINC000286286880 498351011 /nfs/dbraw/zinc/35/10/11/498351011.db2.gz WICVPSSFLKOVCJ-UHFFFAOYSA-N 1 3 353.514 3.147 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCCC3)CC1 ZINC000286286880 498351018 /nfs/dbraw/zinc/35/10/18/498351018.db2.gz WICVPSSFLKOVCJ-UHFFFAOYSA-N 1 3 353.514 3.147 20 0 FGADHO C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000572661078 506022782 /nfs/dbraw/zinc/02/27/82/506022782.db2.gz BSBLEJKMURKVNO-MRXNPFEDSA-N 1 3 352.482 3.365 20 0 FGADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345682 498371575 /nfs/dbraw/zinc/37/15/75/498371575.db2.gz FHVLDCVZMSHGLT-WGLWSTOQSA-N 1 3 350.453 3.336 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000290069865 498416675 /nfs/dbraw/zinc/41/66/75/498416675.db2.gz VZHKTHIUWPMFSC-NSHDSACASA-N 1 3 370.478 3.019 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000365461779 498479426 /nfs/dbraw/zinc/47/94/26/498479426.db2.gz PLRKZCPLIHJIJK-UHFFFAOYSA-N 1 3 371.550 3.452 20 0 FGADHO Clc1ccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000569957942 506056384 /nfs/dbraw/zinc/05/63/84/506056384.db2.gz XHTCURNBQFGKPI-GVDBMIGSSA-N 1 3 360.889 3.443 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCCN1 ZINC000572832628 506063369 /nfs/dbraw/zinc/06/33/69/506063369.db2.gz RJEKQFCLAVPOPH-DYESRHJHSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572832628 506063372 /nfs/dbraw/zinc/06/33/72/506063372.db2.gz RJEKQFCLAVPOPH-DYESRHJHSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303067018 498645601 /nfs/dbraw/zinc/64/56/01/498645601.db2.gz NKBKGAWTJOFAPV-HSALFYBXSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303067018 498645606 /nfs/dbraw/zinc/64/56/06/498645606.db2.gz NKBKGAWTJOFAPV-HSALFYBXSA-N 1 3 366.594 3.164 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000365826339 498656505 /nfs/dbraw/zinc/65/65/05/498656505.db2.gz PSYGZARDRHVDIY-GOSISDBHSA-N 1 3 369.557 3.154 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000303269754 498659075 /nfs/dbraw/zinc/65/90/75/498659075.db2.gz HAOLEYCIPHJMCR-NHCUHLMSSA-N 1 3 372.557 3.258 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000298248313 498708722 /nfs/dbraw/zinc/70/87/22/498708722.db2.gz DDLNAGJBOFIXKT-GOSISDBHSA-N 1 3 366.509 3.175 20 0 FGADHO CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287369535 498732715 /nfs/dbraw/zinc/73/27/15/498732715.db2.gz SUIFNWDSKOUHIE-JGUMPVPUSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287369535 498732719 /nfs/dbraw/zinc/73/27/19/498732719.db2.gz SUIFNWDSKOUHIE-JGUMPVPUSA-N 1 3 370.541 3.090 20 0 FGADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312592138 498760658 /nfs/dbraw/zinc/76/06/58/498760658.db2.gz XDHWKAMZKOAMCI-ILWGZMRPSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592138 498760662 /nfs/dbraw/zinc/76/06/62/498760662.db2.gz XDHWKAMZKOAMCI-ILWGZMRPSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592138 498760670 /nfs/dbraw/zinc/76/06/70/498760670.db2.gz XDHWKAMZKOAMCI-ILWGZMRPSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000332742525 498780314 /nfs/dbraw/zinc/78/03/14/498780314.db2.gz VJXQHLGFUMWHPI-FUHWJXTLSA-N 1 3 372.557 3.430 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087913 506091048 /nfs/dbraw/zinc/09/10/48/506091048.db2.gz GJWYZSICFPERMB-DOTOQJQBSA-N 1 3 370.440 3.015 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000570145948 506101219 /nfs/dbraw/zinc/10/12/19/506101219.db2.gz VDVYRIQFNDFZHQ-HRAATJIYSA-N 1 3 364.493 3.464 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000570145948 506101222 /nfs/dbraw/zinc/10/12/22/506101222.db2.gz VDVYRIQFNDFZHQ-HRAATJIYSA-N 1 3 364.493 3.464 20 0 FGADHO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000295084766 498903191 /nfs/dbraw/zinc/90/31/91/498903191.db2.gz UIBKMDXBRDIICZ-RZUBCFFCSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084766 498903197 /nfs/dbraw/zinc/90/31/97/498903197.db2.gz UIBKMDXBRDIICZ-RZUBCFFCSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084766 498903202 /nfs/dbraw/zinc/90/32/02/498903202.db2.gz UIBKMDXBRDIICZ-RZUBCFFCSA-N 1 3 350.510 3.218 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288164806 498958816 /nfs/dbraw/zinc/95/88/16/498958816.db2.gz OUBCPAUJMVPIES-ABSDTBQOSA-N 1 3 360.546 3.050 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333302945 498972934 /nfs/dbraw/zinc/97/29/34/498972934.db2.gz KOGZSRYSISPTRV-UHFFFAOYSA-N 1 3 356.514 3.251 20 0 FGADHO Cc1cc([C@H](C)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000283916346 499012480 /nfs/dbraw/zinc/01/24/80/499012480.db2.gz DMXMOCKKJZQGRB-IBGZPJMESA-N 1 3 356.514 3.232 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291865745 499088020 /nfs/dbraw/zinc/08/80/20/499088020.db2.gz GZWORDBRFQLICD-WIYYLYMNSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291865745 499088023 /nfs/dbraw/zinc/08/80/23/499088023.db2.gz GZWORDBRFQLICD-WIYYLYMNSA-N 1 3 357.542 3.230 20 0 FGADHO CN1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328708 506131974 /nfs/dbraw/zinc/13/19/74/506131974.db2.gz CTZNHRGHTSGRCR-CRAIPNDOSA-N 1 3 358.511 3.411 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000369871830 499142634 /nfs/dbraw/zinc/14/26/34/499142634.db2.gz JLHUIVJAXMSZCW-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000372773571 499173443 /nfs/dbraw/zinc/17/34/43/499173443.db2.gz UJUHWJFSILQXBH-OAQYLSRUSA-N 1 3 363.590 3.359 20 0 FGADHO CN(c1ccccc1CN1CCC[C@@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000372805473 499177907 /nfs/dbraw/zinc/17/79/07/499177907.db2.gz SJJCRJFEFICODM-OAQYLSRUSA-N 1 3 367.541 3.251 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000370650507 499239945 /nfs/dbraw/zinc/23/99/45/499239945.db2.gz DSPPKHDRHGHFQP-MTQWCTHYSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000370650507 499239946 /nfs/dbraw/zinc/23/99/46/499239946.db2.gz DSPPKHDRHGHFQP-MTQWCTHYSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000370650507 499239947 /nfs/dbraw/zinc/23/99/47/499239947.db2.gz DSPPKHDRHGHFQP-MTQWCTHYSA-N 1 3 363.546 3.142 20 0 FGADHO COC(=O)c1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000367888225 499241885 /nfs/dbraw/zinc/24/18/85/499241885.db2.gz XHFCLQMPNMWWKX-UHFFFAOYSA-N 1 3 359.495 3.278 20 0 FGADHO C[C@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCO1 ZINC000370730545 499249078 /nfs/dbraw/zinc/24/90/78/499249078.db2.gz OYRGDLAATPHQIK-XXTHSBEZSA-N 1 3 371.569 3.273 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000370763846 499252517 /nfs/dbraw/zinc/25/25/17/499252517.db2.gz PWJXGYVJMUVZPB-DWLFOUALSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000370763846 499252518 /nfs/dbraw/zinc/25/25/18/499252518.db2.gz PWJXGYVJMUVZPB-DWLFOUALSA-N 1 3 365.521 3.351 20 0 FGADHO CN1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773610 499253331 /nfs/dbraw/zinc/25/33/31/499253331.db2.gz OXGXKOXCHMHSQK-PBHICJAKSA-N 1 3 371.447 3.332 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000367999478 499253390 /nfs/dbraw/zinc/25/33/90/499253390.db2.gz UYKZVRIQIBBSKD-FHWLQOOXSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000367999478 499253391 /nfs/dbraw/zinc/25/33/91/499253391.db2.gz UYKZVRIQIBBSKD-FHWLQOOXSA-N 1 3 357.498 3.256 20 0 FGADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367999478 499253393 /nfs/dbraw/zinc/25/33/93/499253393.db2.gz UYKZVRIQIBBSKD-FHWLQOOXSA-N 1 3 357.498 3.256 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000368297316 499283048 /nfs/dbraw/zinc/28/30/48/499283048.db2.gz WJPRBGZNYOJMQK-BDXSIMOUSA-N 1 3 351.535 3.238 20 0 FGADHO CC(C)[NH+]1CCN(CCCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000369203112 499376954 /nfs/dbraw/zinc/37/69/54/499376954.db2.gz KIDAFXIBSJZEDW-QFIPXVFZSA-N 1 3 352.526 3.177 20 0 FGADHO Cn1ccnc1[C@H](NCC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000372300863 499418272 /nfs/dbraw/zinc/41/82/72/499418272.db2.gz KJBKUZUOJDNXQO-OAQYLSRUSA-N 1 3 352.526 3.416 20 0 FGADHO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000372413107 499431858 /nfs/dbraw/zinc/43/18/58/499431858.db2.gz GMBNEEODDZERRX-UHFFFAOYSA-N 1 3 372.488 3.291 20 0 FGADHO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000372413107 499431859 /nfs/dbraw/zinc/43/18/59/499431859.db2.gz GMBNEEODDZERRX-UHFFFAOYSA-N 1 3 372.488 3.291 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558666 499476913 /nfs/dbraw/zinc/47/69/13/499476913.db2.gz CQIXLAWLRPWUNY-MCYKXBRJSA-N 1 3 374.525 3.170 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558666 499476914 /nfs/dbraw/zinc/47/69/14/499476914.db2.gz CQIXLAWLRPWUNY-MCYKXBRJSA-N 1 3 374.525 3.170 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510724 499526059 /nfs/dbraw/zinc/52/60/59/499526059.db2.gz INNAKQAZBCWEFN-DNVCBOLYSA-N 1 3 356.514 3.468 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676786 499542756 /nfs/dbraw/zinc/54/27/56/499542756.db2.gz AWNBERMDCQDTBD-JRGCBEDISA-N 1 3 357.542 3.453 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676786 499542758 /nfs/dbraw/zinc/54/27/58/499542758.db2.gz AWNBERMDCQDTBD-JRGCBEDISA-N 1 3 357.542 3.453 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330965 499550899 /nfs/dbraw/zinc/55/08/99/499550899.db2.gz RNEFQWAQLJCCAR-UYAOXDASSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330965 499550901 /nfs/dbraw/zinc/55/09/01/499550901.db2.gz RNEFQWAQLJCCAR-UYAOXDASSA-N 1 3 374.912 3.191 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688290 499555299 /nfs/dbraw/zinc/55/52/99/499555299.db2.gz ZMYNRXFVWIXVOL-FCEUIQTBSA-N 1 3 359.558 3.178 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@@H]21 ZINC000375854596 499562663 /nfs/dbraw/zinc/56/26/63/499562663.db2.gz UWCZDOFXVNDLDY-HKBOAZHASA-N 1 3 364.493 3.296 20 0 FGADHO Cc1nc(C)c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397558846 499564225 /nfs/dbraw/zinc/56/42/25/499564225.db2.gz RVEPCFVQAKEMRP-OAHLLOKOSA-N 1 3 359.539 3.438 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000397965999 499565818 /nfs/dbraw/zinc/56/58/18/499565818.db2.gz GXUDZLJECPARRU-ZNLUXHQJSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000397965999 499565819 /nfs/dbraw/zinc/56/58/19/499565819.db2.gz GXUDZLJECPARRU-ZNLUXHQJSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000573238948 506150995 /nfs/dbraw/zinc/15/09/95/506150995.db2.gz FKDCPXWUBQWAGX-XMSQKQJNSA-N 1 3 366.505 3.333 20 0 FGADHO CN(C)C(=O)c1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000376179247 499589206 /nfs/dbraw/zinc/58/92/06/499589206.db2.gz YYQSVMAEZUVGRY-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO CN(C)C(=O)c1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000376179247 499589207 /nfs/dbraw/zinc/58/92/07/499589207.db2.gz YYQSVMAEZUVGRY-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000376674151 499627829 /nfs/dbraw/zinc/62/78/29/499627829.db2.gz UFWZSYMRXVROPO-RDJZCZTQSA-N 1 3 369.475 3.395 20 0 FGADHO Cc1ccc2cc(CN(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)ccc2n1 ZINC000377621131 499711315 /nfs/dbraw/zinc/71/13/15/499711315.db2.gz AWXZBJKMFFMPMA-NRFANRHFSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1ccc2cc(CN(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)ccc2n1 ZINC000377621131 499711316 /nfs/dbraw/zinc/71/13/16/499711316.db2.gz AWXZBJKMFFMPMA-NRFANRHFSA-N 1 3 352.526 3.144 20 0 FGADHO COc1ccc2oc(CN(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2c1 ZINC000377623520 499712002 /nfs/dbraw/zinc/71/20/02/499712002.db2.gz FHQGZDHZDIKEFU-SFHVURJKSA-N 1 3 357.498 3.042 20 0 FGADHO COc1ccc2oc(CN(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2c1 ZINC000377623520 499712004 /nfs/dbraw/zinc/71/20/04/499712004.db2.gz FHQGZDHZDIKEFU-SFHVURJKSA-N 1 3 357.498 3.042 20 0 FGADHO CN(Cc1cnc(C2CCCC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628945 499712493 /nfs/dbraw/zinc/71/24/93/499712493.db2.gz OZAUGNIIYFKCBA-GOSISDBHSA-N 1 3 362.587 3.401 20 0 FGADHO CCCNC(=O)[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227009 499714158 /nfs/dbraw/zinc/71/41/58/499714158.db2.gz UJQGSZWOXBPRHR-OAQYLSRUSA-N 1 3 357.542 3.411 20 0 FGADHO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411227009 499714160 /nfs/dbraw/zinc/71/41/60/499714160.db2.gz UJQGSZWOXBPRHR-OAQYLSRUSA-N 1 3 357.542 3.411 20 0 FGADHO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411227009 499714161 /nfs/dbraw/zinc/71/41/61/499714161.db2.gz UJQGSZWOXBPRHR-OAQYLSRUSA-N 1 3 357.542 3.411 20 0 FGADHO C[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2sccc21 ZINC000414207194 499768391 /nfs/dbraw/zinc/76/83/91/499768391.db2.gz ZGUSXKSHCWIFKF-WMZOPIPTSA-N 1 3 363.571 3.073 20 0 FGADHO C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656196 499773590 /nfs/dbraw/zinc/77/35/90/499773590.db2.gz PUQYSNUAMWGCHX-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO C[C@H](CCCc1cccnc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298293 499775398 /nfs/dbraw/zinc/77/53/98/499775398.db2.gz GWVUQQVVXBDSLL-HXUWFJFHSA-N 1 3 367.537 3.410 20 0 FGADHO CC(C)O[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1(C)C ZINC000414305763 499776109 /nfs/dbraw/zinc/77/61/09/499776109.db2.gz NQRSHECDNFPEMT-PMACEKPBSA-N 1 3 360.542 3.195 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000414308703 499776366 /nfs/dbraw/zinc/77/63/66/499776366.db2.gz IQNUQCUWJKASQU-APWZRJJASA-N 1 3 360.473 3.193 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414322543 499777730 /nfs/dbraw/zinc/77/77/30/499777730.db2.gz GZASDKCOOYHFEJ-KRWDZBQOSA-N 1 3 351.494 3.235 20 0 FGADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412014824 499813245 /nfs/dbraw/zinc/81/32/45/499813245.db2.gz RBMSLBPWJTTYDF-VXKWHMMOSA-N 1 3 369.553 3.388 20 0 FGADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cc2ccccc2o1 ZINC000414698696 499821182 /nfs/dbraw/zinc/82/11/82/499821182.db2.gz XTHGXXVDFPZZNA-SJORKVTESA-N 1 3 357.498 3.403 20 0 FGADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cc2ccccc2o1 ZINC000414698696 499821184 /nfs/dbraw/zinc/82/11/84/499821184.db2.gz XTHGXXVDFPZZNA-SJORKVTESA-N 1 3 357.498 3.403 20 0 FGADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819777 499834386 /nfs/dbraw/zinc/83/43/86/499834386.db2.gz ZQNXVCJZUVKHTJ-HUUCEWRRSA-N 1 3 371.481 3.230 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851384 499837938 /nfs/dbraw/zinc/83/79/38/499837938.db2.gz JCOPKYIZMPVHKG-BZUAXINKSA-N 1 3 351.922 3.055 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851908 499838001 /nfs/dbraw/zinc/83/80/01/499838001.db2.gz JNMRBQKSXCWJRN-MCIONIFRSA-N 1 3 368.319 3.144 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855893 499838156 /nfs/dbraw/zinc/83/81/56/499838156.db2.gz XUXPBVKEKWLHFQ-DOMZBBRYSA-N 1 3 356.308 3.129 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853042 499838326 /nfs/dbraw/zinc/83/83/26/499838326.db2.gz KNMSVPQANPTALI-HLLBOEOZSA-N 1 3 351.922 3.055 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412343325 499846825 /nfs/dbraw/zinc/84/68/25/499846825.db2.gz ICFYJNSDYSLXPR-WIYYLYMNSA-N 1 3 355.526 3.371 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414967198 499849854 /nfs/dbraw/zinc/84/98/54/499849854.db2.gz GZYDGTKWZINFLU-GOSISDBHSA-N 1 3 355.482 3.291 20 0 FGADHO COCC1(CNCc2cc(Cl)ccc2OCC2CC2)CC[NH2+]CC1 ZINC000414978357 499850647 /nfs/dbraw/zinc/85/06/47/499850647.db2.gz SKIAENQKGKXSBI-UHFFFAOYSA-N 1 3 352.906 3.235 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006218 499854362 /nfs/dbraw/zinc/85/43/62/499854362.db2.gz KFADJZHAFOVUSP-QFBILLFUSA-N 1 3 360.452 3.245 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000415012810 499854760 /nfs/dbraw/zinc/85/47/60/499854760.db2.gz XNJGPKOGLAAJMG-KNQAVFIVSA-N 1 3 364.468 3.494 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011010 499854969 /nfs/dbraw/zinc/85/49/69/499854969.db2.gz VQJIJMYMRPAGOQ-AAEUAGOBSA-N 1 3 354.285 3.181 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415028440 499856060 /nfs/dbraw/zinc/85/60/60/499856060.db2.gz YMVKEWZTIVQALH-JOCQHMNTSA-N 1 3 371.319 3.321 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3CN(C[C@@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102870 499863920 /nfs/dbraw/zinc/86/39/20/499863920.db2.gz JGRCYEHXBSPXFN-HGHGUNKESA-N 1 3 352.482 3.090 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@@H]3CCCNC3)C4)n2)cc1 ZINC000415102870 499863922 /nfs/dbraw/zinc/86/39/22/499863922.db2.gz JGRCYEHXBSPXFN-HGHGUNKESA-N 1 3 352.482 3.090 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@@H]3CCCNC3)C4)n2)cc1 ZINC000415102870 499863924 /nfs/dbraw/zinc/86/39/24/499863924.db2.gz JGRCYEHXBSPXFN-HGHGUNKESA-N 1 3 352.482 3.090 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000415123255 499866524 /nfs/dbraw/zinc/86/65/24/499866524.db2.gz PJTOUZFMWJMJQP-MISYRCLQSA-N 1 3 372.557 3.107 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126362 499867065 /nfs/dbraw/zinc/86/70/65/499867065.db2.gz MAXGTXXICYRFIU-IRXDYDNUSA-N 1 3 358.404 3.304 20 0 FGADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OCC ZINC000415132417 499868271 /nfs/dbraw/zinc/86/82/71/499868271.db2.gz UDQXLISFJQLAJB-WIYYLYMNSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000415304736 499885010 /nfs/dbraw/zinc/88/50/10/499885010.db2.gz GEXTWQXZFDIYHE-PXNSSMCTSA-N 1 3 374.529 3.142 20 0 FGADHO [NH3+]C[C@@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CCCC1 ZINC000415315464 499885721 /nfs/dbraw/zinc/88/57/21/499885721.db2.gz ZZACXFMUKIDKBY-HXUWFJFHSA-N 1 3 374.529 3.190 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)CC1 ZINC000415879744 499923633 /nfs/dbraw/zinc/92/36/33/499923633.db2.gz CJLMBLATCMONDM-GOSISDBHSA-N 1 3 370.541 3.308 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415903795 499926396 /nfs/dbraw/zinc/92/63/96/499926396.db2.gz QRERYCVKIVAPEW-LJQANCHMSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000415910597 499927474 /nfs/dbraw/zinc/92/74/74/499927474.db2.gz CAANINDQVRRZIY-QGZVFWFLSA-N 1 3 354.498 3.438 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N(C)CCCN(C)Cc2ccco2)c1 ZINC000415937939 499930706 /nfs/dbraw/zinc/93/07/06/499930706.db2.gz XKAXTBQNMYDZBA-UHFFFAOYSA-N 1 3 358.486 3.375 20 0 FGADHO C[C@@H](NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000415951147 499932802 /nfs/dbraw/zinc/93/28/02/499932802.db2.gz FKIZAGJJBNVQEF-LLVKDONJSA-N 1 3 360.424 3.262 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415954153 499933044 /nfs/dbraw/zinc/93/30/44/499933044.db2.gz JYEZZWUTEOLHJI-UHFFFAOYSA-N 1 3 364.509 3.303 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000415966371 499934497 /nfs/dbraw/zinc/93/44/97/499934497.db2.gz GLIUUOQXCIBIAA-CHWSQXEVSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000415966371 499934498 /nfs/dbraw/zinc/93/44/98/499934498.db2.gz GLIUUOQXCIBIAA-CHWSQXEVSA-N 1 3 372.435 3.406 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415978948 499936505 /nfs/dbraw/zinc/93/65/05/499936505.db2.gz QCQDCRFWWBRPNC-UHFFFAOYSA-N 1 3 352.482 3.240 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000415978013 499936625 /nfs/dbraw/zinc/93/66/25/499936625.db2.gz ZOCAQNMVBQAIQC-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979605 499936928 /nfs/dbraw/zinc/93/69/28/499936928.db2.gz DTCFKCOEYYGFDT-OXJNMPFZSA-N 1 3 352.482 3.048 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCCN1CCN(C)CC1 ZINC000573300734 506166037 /nfs/dbraw/zinc/16/60/37/506166037.db2.gz MVFIXYCHEHEGIQ-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036124 499954211 /nfs/dbraw/zinc/95/42/11/499954211.db2.gz SOIGUUYJLSVIHP-OXQOHEQNSA-N 1 3 354.498 3.013 20 0 FGADHO CN(C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235217 499989771 /nfs/dbraw/zinc/98/97/71/499989771.db2.gz SGDDTSQWNLFKJB-UXHICEINSA-N 1 3 357.473 3.238 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220959 500009179 /nfs/dbraw/zinc/00/91/79/500009179.db2.gz ZHJPTJMFERSJJE-LEWJYISDSA-N 1 3 372.557 3.291 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(CC(C)C)s3)CC2)CC1 ZINC000421367586 500028328 /nfs/dbraw/zinc/02/83/28/500028328.db2.gz FIJFJIWAECZDAP-UHFFFAOYSA-N 1 3 364.603 3.334 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(CC(C)C)s3)CC2)CC1 ZINC000421367586 500028329 /nfs/dbraw/zinc/02/83/29/500028329.db2.gz FIJFJIWAECZDAP-UHFFFAOYSA-N 1 3 364.603 3.334 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417298296 500033009 /nfs/dbraw/zinc/03/30/09/500033009.db2.gz PSOXVDZNSYSEOO-OAHLLOKOSA-N 1 3 374.451 3.125 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1(O)CCOCC1 ZINC000417350989 500046003 /nfs/dbraw/zinc/04/60/03/500046003.db2.gz ATTXRQYFJVPJEV-NJDAHSKKSA-N 1 3 372.553 3.054 20 0 FGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377531 500053755 /nfs/dbraw/zinc/05/37/55/500053755.db2.gz GAGZRDFXXQHVRX-HKUYNNGSSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377531 500053757 /nfs/dbraw/zinc/05/37/57/500053757.db2.gz GAGZRDFXXQHVRX-HKUYNNGSSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(C)Cc1ccccc1 ZINC000417591729 500119354 /nfs/dbraw/zinc/11/93/54/500119354.db2.gz SMKVUIZVKSVFFF-RXVVDRJESA-N 1 3 368.525 3.286 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N(C)Cc1ccccc1 ZINC000417591728 500119554 /nfs/dbraw/zinc/11/95/54/500119554.db2.gz SMKVUIZVKSVFFF-NQIIRXRSSA-N 1 3 368.525 3.286 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000416839914 500135128 /nfs/dbraw/zinc/13/51/28/500135128.db2.gz KPUMQZXOZSUHEA-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416968542 500169506 /nfs/dbraw/zinc/16/95/06/500169506.db2.gz YPJDTTLRUDZDJU-NRFANRHFSA-N 1 3 368.525 3.198 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000416985615 500175771 /nfs/dbraw/zinc/17/57/71/500175771.db2.gz YUWXTERNROJYLV-NRFANRHFSA-N 1 3 372.557 3.166 20 0 FGADHO C[C@H](C(=O)NC1CCC([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000422004315 500195901 /nfs/dbraw/zinc/19/59/01/500195901.db2.gz GBAHSIZEVBZWGF-OSFYOIPJSA-N 1 3 371.569 3.319 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000425933791 500213556 /nfs/dbraw/zinc/21/35/56/500213556.db2.gz WVRSOKUNPSHODN-OLZOCXBDSA-N 1 3 361.408 3.090 20 0 FGADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933791 500213560 /nfs/dbraw/zinc/21/35/60/500213560.db2.gz WVRSOKUNPSHODN-OLZOCXBDSA-N 1 3 361.408 3.090 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017107 500214712 /nfs/dbraw/zinc/21/47/12/500214712.db2.gz RZMWDELSLZMSMY-WWMYMODYSA-N 1 3 366.509 3.026 20 0 FGADHO CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071388 500225546 /nfs/dbraw/zinc/22/55/46/500225546.db2.gz WGGBRVSTPMUMQP-WOJBJXKFSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071388 500225550 /nfs/dbraw/zinc/22/55/50/500225550.db2.gz WGGBRVSTPMUMQP-WOJBJXKFSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071388 500225553 /nfs/dbraw/zinc/22/55/53/500225553.db2.gz WGGBRVSTPMUMQP-WOJBJXKFSA-N 1 3 358.526 3.072 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166627 500240905 /nfs/dbraw/zinc/24/09/05/500240905.db2.gz ZOAYIYZIGQDAAG-UXHICEINSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccco1 ZINC000418171361 500241890 /nfs/dbraw/zinc/24/18/90/500241890.db2.gz UPYFGCIDNWVJPK-RLFYNMQTSA-N 1 3 358.486 3.228 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176942 500243389 /nfs/dbraw/zinc/24/33/89/500243389.db2.gz HLTKOQLGHKFABF-PKOBYXMFSA-N 1 3 366.937 3.103 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183878 500244277 /nfs/dbraw/zinc/24/42/77/500244277.db2.gz OXZMRGMEKNJXEG-YOEHRIQHSA-N 1 3 354.926 3.150 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418196577 500247953 /nfs/dbraw/zinc/24/79/53/500247953.db2.gz RJSPAZGPIOYBBN-MHJFOBGBSA-N 1 3 360.546 3.057 20 0 FGADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542541 500251539 /nfs/dbraw/zinc/25/15/39/500251539.db2.gz KTVCZTYDTAPSKC-LSDHHAIUSA-N 1 3 351.922 3.227 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(CC)CC)cc1 ZINC000418222369 500252003 /nfs/dbraw/zinc/25/20/03/500252003.db2.gz WXEWWHXUEAAJDX-CTNGQTDRSA-N 1 3 360.546 3.012 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288835 500257055 /nfs/dbraw/zinc/25/70/55/500257055.db2.gz KIOLDJJFSHMMLN-HBFSDRIKSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288835 500257059 /nfs/dbraw/zinc/25/70/59/500257059.db2.gz KIOLDJJFSHMMLN-HBFSDRIKSA-N 1 3 363.521 3.131 20 0 FGADHO CC(C)[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N(C)C ZINC000426367448 500265475 /nfs/dbraw/zinc/26/54/75/500265475.db2.gz UIKSLDCCFDTKIZ-QFIPXVFZSA-N 1 3 373.585 3.424 20 0 FGADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418350120 500266343 /nfs/dbraw/zinc/26/63/43/500266343.db2.gz QPVDRDFTONZCDT-IRFCIJBXSA-N 1 3 372.557 3.243 20 0 FGADHO [NH3+]CC1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCCC1 ZINC000430705586 500272636 /nfs/dbraw/zinc/27/26/36/500272636.db2.gz LGWLAPVTHSKINY-OAQYLSRUSA-N 1 3 355.526 3.020 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000430740694 500278591 /nfs/dbraw/zinc/27/85/91/500278591.db2.gz BZKSUCXRBQXGBL-PGRDOPGGSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000430740694 500278593 /nfs/dbraw/zinc/27/85/93/500278593.db2.gz BZKSUCXRBQXGBL-PGRDOPGGSA-N 1 3 365.521 3.277 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503850 500285828 /nfs/dbraw/zinc/28/58/28/500285828.db2.gz ZUCJJLGKTPIHPI-UWJYYQICSA-N 1 3 368.525 3.213 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503850 500285830 /nfs/dbraw/zinc/28/58/30/500285830.db2.gz ZUCJJLGKTPIHPI-UWJYYQICSA-N 1 3 368.525 3.213 20 0 FGADHO COCCN(C)CC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707516 500287667 /nfs/dbraw/zinc/28/76/67/500287667.db2.gz AGQHYBXSFIAMJO-FKBYEOEOSA-N 1 3 353.510 3.430 20 0 FGADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422710365 500287865 /nfs/dbraw/zinc/28/78/65/500287865.db2.gz LTRGTTKBTYSSLV-KSSFIOAISA-N 1 3 355.448 3.257 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723356 500290125 /nfs/dbraw/zinc/29/01/25/500290125.db2.gz RCDWECXOGOJPPX-AWEZNQCLSA-N 1 3 374.479 3.442 20 0 FGADHO CSc1nnc(CCCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727319 500290954 /nfs/dbraw/zinc/29/09/54/500290954.db2.gz HCTPAYBFMLRYDF-SJORKVTESA-N 1 3 367.607 3.489 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731691 500291605 /nfs/dbraw/zinc/29/16/05/500291605.db2.gz OAMDKFDRYGZYTF-CPUCHLNUSA-N 1 3 357.420 3.142 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738280 500292613 /nfs/dbraw/zinc/29/26/13/500292613.db2.gz YJOSGTIIHFVKGL-OLMNPRSZSA-N 1 3 355.448 3.257 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753354 500294615 /nfs/dbraw/zinc/29/46/15/500294615.db2.gz CEJXZDJQDZPEFB-DYVFJYSZSA-N 1 3 354.441 3.327 20 0 FGADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422780643 500296374 /nfs/dbraw/zinc/29/63/74/500296374.db2.gz JQBJPWFSZMNIAL-QFHJOOASSA-N 1 3 363.933 3.056 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](N)c2ccccc2CC)CC1 ZINC000418642452 500300016 /nfs/dbraw/zinc/30/00/16/500300016.db2.gz AKVSUMSQLGXDAK-NRFANRHFSA-N 1 3 374.573 3.402 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](N)c2ccccc2CC)CC1 ZINC000418642452 500300019 /nfs/dbraw/zinc/30/00/19/500300019.db2.gz AKVSUMSQLGXDAK-NRFANRHFSA-N 1 3 374.573 3.402 20 0 FGADHO COC[C@H](Cc1ccccc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819685 500302109 /nfs/dbraw/zinc/30/21/09/500302109.db2.gz IUKADVDACLUIGH-CZTZKLFOSA-N 1 3 352.478 3.090 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000422837644 500304335 /nfs/dbraw/zinc/30/43/35/500304335.db2.gz MQTFMTLELFSHGW-WIYYLYMNSA-N 1 3 359.558 3.044 20 0 FGADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418681753 500307142 /nfs/dbraw/zinc/30/71/42/500307142.db2.gz ZCAUIYZNKITSME-QWFCFKBJSA-N 1 3 360.546 3.371 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707346 500310133 /nfs/dbraw/zinc/31/01/33/500310133.db2.gz BOKDUFDWSTYONO-IAGOWNOFSA-N 1 3 352.567 3.046 20 0 FGADHO CCc1nc(CN2CCC(CN[C@@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913016 500315429 /nfs/dbraw/zinc/31/54/29/500315429.db2.gz OVRGYKGJWXMMFN-ROUUACIJSA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H](CC)[C@@H]3CCCN3)CC2)cs1 ZINC000422913016 500315432 /nfs/dbraw/zinc/31/54/32/500315432.db2.gz OVRGYKGJWXMMFN-ROUUACIJSA-N 1 3 350.576 3.038 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422956343 500323106 /nfs/dbraw/zinc/32/31/06/500323106.db2.gz PMBWGWXDWAXFQN-HIFRSBDPSA-N 1 3 368.319 3.193 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422956343 500323110 /nfs/dbraw/zinc/32/31/10/500323110.db2.gz PMBWGWXDWAXFQN-HIFRSBDPSA-N 1 3 368.319 3.193 20 0 FGADHO c1coc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)N2CCCC2)c1 ZINC000422964437 500324752 /nfs/dbraw/zinc/32/47/52/500324752.db2.gz LOSCHQDZEODHSS-IPJJNNNSSA-N 1 3 367.493 3.262 20 0 FGADHO COc1cccc(COCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999986 500329003 /nfs/dbraw/zinc/32/90/03/500329003.db2.gz GKLMCESXCCDTMK-IRLDBZIGSA-N 1 3 368.477 3.057 20 0 FGADHO CN1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]1c1ccccc1 ZINC000423010967 500330517 /nfs/dbraw/zinc/33/05/17/500330517.db2.gz HPXOMMYNVQHJKA-JVSAHFFESA-N 1 3 363.505 3.277 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020646 500331490 /nfs/dbraw/zinc/33/14/90/500331490.db2.gz CJWSQNKIUGJLCY-HSQYWUDLSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cccc(OCc2ccccc2)c1 ZINC000423020646 500331495 /nfs/dbraw/zinc/33/14/95/500331495.db2.gz CJWSQNKIUGJLCY-HSQYWUDLSA-N 1 3 354.494 3.150 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423018774 500331595 /nfs/dbraw/zinc/33/15/95/500331595.db2.gz ZSJIHLABNUNJHK-KBPBESRZSA-N 1 3 351.454 3.353 20 0 FGADHO Fc1ccccc1NCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038421 500333971 /nfs/dbraw/zinc/33/39/71/500333971.db2.gz YSZPBZVZYQAWFF-FPOVZHCZSA-N 1 3 355.457 3.473 20 0 FGADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)c2)n1 ZINC000423082206 500339829 /nfs/dbraw/zinc/33/98/29/500339829.db2.gz WMMNAMOKEHYHOO-JKSUJKDBSA-N 1 3 359.495 3.346 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108213 500343164 /nfs/dbraw/zinc/34/31/64/500343164.db2.gz FSIWKNDEEGDSQU-NRSPTQNISA-N 1 3 357.542 3.121 20 0 FGADHO COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000423151570 500348706 /nfs/dbraw/zinc/34/87/06/500348706.db2.gz CRQNZPGCMTWNCM-KGLIPLIRSA-N 1 3 373.497 3.156 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1OC ZINC000423160200 500349651 /nfs/dbraw/zinc/34/96/51/500349651.db2.gz ZDSBMARTYGKUIT-SJORKVTESA-N 1 3 350.503 3.142 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000423332288 500364792 /nfs/dbraw/zinc/36/47/92/500364792.db2.gz QSJZDTCJFNOILL-INIZCTEOSA-N 1 3 351.494 3.273 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 ZINC000423357762 500366728 /nfs/dbraw/zinc/36/67/28/500366728.db2.gz APRKJEMTZIHYOZ-HNNXBMFYSA-N 1 3 352.482 3.465 20 0 FGADHO Cc1ccc([C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374543 500368391 /nfs/dbraw/zinc/36/83/91/500368391.db2.gz CIFYVXSLJGJIEO-DLBZAZTESA-N 1 3 359.436 3.245 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392424 500369604 /nfs/dbraw/zinc/36/96/04/500369604.db2.gz QLGGCNPQMUWOMT-SMDDNHRTSA-N 1 3 369.353 3.192 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000423404993 500371234 /nfs/dbraw/zinc/37/12/34/500371234.db2.gz YOWWNYQBOZVJFZ-RLLQIKCJSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529896 500383274 /nfs/dbraw/zinc/38/32/74/500383274.db2.gz QLEGZBUECROABV-DUEJHXMNSA-N 1 3 355.526 3.171 20 0 FGADHO CC[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551545 500384521 /nfs/dbraw/zinc/38/45/21/500384521.db2.gz GCJMLBDCEIMVHA-IBGZPJMESA-N 1 3 356.489 3.255 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000419696435 500390169 /nfs/dbraw/zinc/39/01/69/500390169.db2.gz VEMHSOYASDBARV-RBUKOAKNSA-N 1 3 356.558 3.289 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423738220 500398067 /nfs/dbraw/zinc/39/80/67/500398067.db2.gz FXZYKUMCUXUPHE-QHCPKHFHSA-N 1 3 365.521 3.028 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000431651066 500403170 /nfs/dbraw/zinc/40/31/70/500403170.db2.gz HCLQERJKBNMWMZ-OAQYLSRUSA-N 1 3 374.573 3.347 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830262 500430385 /nfs/dbraw/zinc/43/03/85/500430385.db2.gz JHKPEYRKIMGKRU-COPCDDAFSA-N 1 3 365.521 3.316 20 0 FGADHO [NH3+]CC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000420278236 500432131 /nfs/dbraw/zinc/43/21/31/500432131.db2.gz VBWIEEWXRBLLKF-UHFFFAOYSA-N 1 3 361.287 3.077 20 0 FGADHO C[C@](C[NH3+])(NCCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297660 500435809 /nfs/dbraw/zinc/43/58/09/500435809.db2.gz ZAFLUTSPAUNGGQ-WOJBJXKFSA-N 1 3 357.523 3.061 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295019 500435822 /nfs/dbraw/zinc/43/58/22/500435822.db2.gz BUBDXPDCJUEEHC-LAUBAEHRSA-N 1 3 351.494 3.034 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000420316259 500440200 /nfs/dbraw/zinc/44/02/00/500440200.db2.gz NARNIVCLGGGFLH-FXAWDEMLSA-N 1 3 359.901 3.037 20 0 FGADHO CCN(C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420333537 500443446 /nfs/dbraw/zinc/44/34/46/500443446.db2.gz HREKUMISZKMUSN-OXJNMPFZSA-N 1 3 361.505 3.199 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cncn3C(C)C)CC2)c1 ZINC000424135386 500458974 /nfs/dbraw/zinc/45/89/74/500458974.db2.gz PCXKLYAIDZCTFF-UHFFFAOYSA-N 1 3 369.557 3.464 20 0 FGADHO CC(C)n1cncc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000424139986 500459641 /nfs/dbraw/zinc/45/96/41/500459641.db2.gz VXTCNWWKYNUOJS-UHFFFAOYSA-N 1 3 369.557 3.152 20 0 FGADHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380505 500494427 /nfs/dbraw/zinc/49/44/27/500494427.db2.gz PSIKRTMCHOXLCJ-CQSZACIVSA-N 1 3 350.528 3.390 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(OC)ccc3Cl)CC2)CC1 ZINC000420972931 500544729 /nfs/dbraw/zinc/54/47/29/500544729.db2.gz BOLYGJSMLWXEGT-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625770 500605484 /nfs/dbraw/zinc/60/54/84/500605484.db2.gz OXOCPLRBKYUSDW-RBUKOAKNSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625770 500605488 /nfs/dbraw/zinc/60/54/88/500605488.db2.gz OXOCPLRBKYUSDW-RBUKOAKNSA-N 1 3 364.578 3.014 20 0 FGADHO C[NH+](C)[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000433110902 500628093 /nfs/dbraw/zinc/62/80/93/500628093.db2.gz CUALCZYAGCJZPE-JOCHJYFZSA-N 1 3 365.521 3.460 20 0 FGADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000433162288 500637590 /nfs/dbraw/zinc/63/75/90/500637590.db2.gz UENCNYNGINRRJR-SFHVURJKSA-N 1 3 357.523 3.377 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442953730 500652754 /nfs/dbraw/zinc/65/27/54/500652754.db2.gz BQFRJOUSOSAUBP-FYYLOGMGSA-N 1 3 369.553 3.089 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442953730 500652756 /nfs/dbraw/zinc/65/27/56/500652756.db2.gz BQFRJOUSOSAUBP-FYYLOGMGSA-N 1 3 369.553 3.089 20 0 FGADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000573562696 506212532 /nfs/dbraw/zinc/21/25/32/506212532.db2.gz CWRWWWZNSUCXIV-IBGZPJMESA-N 1 3 365.477 3.487 20 0 FGADHO CC(C)N1CCc2nc(C[NH2+]C[C@H]3N(C)CCCC3(C)C)sc2C1 ZINC000447897481 500688206 /nfs/dbraw/zinc/68/82/06/500688206.db2.gz NEZGZCLJZZKZMM-QGZVFWFLSA-N 1 3 350.576 3.120 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215801 500733894 /nfs/dbraw/zinc/73/38/94/500733894.db2.gz ZTRHTDICBWLALF-TZIWHRDSSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215801 500733895 /nfs/dbraw/zinc/73/38/95/500733895.db2.gz ZTRHTDICBWLALF-TZIWHRDSSA-N 1 3 374.573 3.265 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348435 500774391 /nfs/dbraw/zinc/77/43/91/500774391.db2.gz XKLCFBPEXLTDNB-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348435 500774393 /nfs/dbraw/zinc/77/43/93/500774393.db2.gz XKLCFBPEXLTDNB-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO COc1cc(F)cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000449061938 500915200 /nfs/dbraw/zinc/91/52/00/500915200.db2.gz XIFOTSKBWIKORY-UHFFFAOYSA-N 1 3 358.457 3.081 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449075291 500918945 /nfs/dbraw/zinc/91/89/45/500918945.db2.gz DPZHGHKHYWGWHD-UHFFFAOYSA-N 1 3 355.526 3.356 20 0 FGADHO C[NH+](C)CCOc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000449092855 500922855 /nfs/dbraw/zinc/92/28/55/500922855.db2.gz VKVJNBKHRJHLQQ-UHFFFAOYSA-N 1 3 370.493 3.468 20 0 FGADHO CCn1nnc(C)c1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449128137 500931295 /nfs/dbraw/zinc/93/12/95/500931295.db2.gz RMDSODVJZMLKPH-UHFFFAOYSA-N 1 3 361.921 3.262 20 0 FGADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000449326197 500978551 /nfs/dbraw/zinc/97/85/51/500978551.db2.gz SZWJLTXWSCLZNH-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CSCC1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000449331091 500979906 /nfs/dbraw/zinc/97/99/06/500979906.db2.gz XGGLVMWWIKPFEB-UHFFFAOYSA-N 1 3 351.560 3.424 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000449491488 501015806 /nfs/dbraw/zinc/01/58/06/501015806.db2.gz HCCWTKQUPVYVAK-DENIHFKCSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000449491488 501015810 /nfs/dbraw/zinc/01/58/10/501015810.db2.gz HCCWTKQUPVYVAK-DENIHFKCSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550157 501030777 /nfs/dbraw/zinc/03/07/77/501030777.db2.gz CJKKCSKMVBEBNP-URVUXULASA-N 1 3 371.569 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550157 501030778 /nfs/dbraw/zinc/03/07/78/501030778.db2.gz CJKKCSKMVBEBNP-URVUXULASA-N 1 3 371.569 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615786 501043741 /nfs/dbraw/zinc/04/37/41/501043741.db2.gz ABLSBFSYVUPKKB-FQEVSTJZSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615786 501043745 /nfs/dbraw/zinc/04/37/45/501043745.db2.gz ABLSBFSYVUPKKB-FQEVSTJZSA-N 1 3 359.558 3.202 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781068 501085182 /nfs/dbraw/zinc/08/51/82/501085182.db2.gz ZGSFFTSCYWFIOP-RSPOEFSDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781068 501085184 /nfs/dbraw/zinc/08/51/84/501085184.db2.gz ZGSFFTSCYWFIOP-RSPOEFSDSA-N 1 3 360.546 3.273 20 0 FGADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(OC(F)F)cc1C ZINC000441348229 501124167 /nfs/dbraw/zinc/12/41/67/501124167.db2.gz MMLJUBZOFWELKW-UHFFFAOYSA-N 1 3 355.473 3.020 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640440 501173296 /nfs/dbraw/zinc/17/32/96/501173296.db2.gz MDPJSPKMELDCSK-XMSQKQJNSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640440 501173298 /nfs/dbraw/zinc/17/32/98/501173298.db2.gz MDPJSPKMELDCSK-XMSQKQJNSA-N 1 3 353.510 3.394 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239473 /nfs/dbraw/zinc/23/94/73/501239473.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 1 3 358.530 3.009 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239474 /nfs/dbraw/zinc/23/94/74/501239474.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 1 3 358.530 3.009 20 0 FGADHO CC1(C)OCC[C@H]1NCc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1F ZINC000451243121 501254466 /nfs/dbraw/zinc/25/44/66/501254466.db2.gz OXDCBXPQUHXLIC-ZWKOTPCHSA-N 1 3 350.478 3.140 20 0 FGADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109349 501271279 /nfs/dbraw/zinc/27/12/79/501271279.db2.gz MHVYLSILEQZIHO-LEWJYISDSA-N 1 3 355.526 3.052 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000457652761 501278185 /nfs/dbraw/zinc/27/81/85/501278185.db2.gz AVXDANCKCVMDTQ-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453153532 501280455 /nfs/dbraw/zinc/28/04/55/501280455.db2.gz VFPKNHGVKDDFBW-DOIPELPJSA-N 1 3 355.526 3.030 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453153532 501280459 /nfs/dbraw/zinc/28/04/59/501280459.db2.gz VFPKNHGVKDDFBW-DOIPELPJSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@](O)(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000453165137 501282734 /nfs/dbraw/zinc/28/27/34/501282734.db2.gz AYWSDXRCCICYDY-MHORFTMASA-N 1 3 356.432 3.333 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453179890 501286365 /nfs/dbraw/zinc/28/63/65/501286365.db2.gz PPQOVOHSAFZTKM-NJDAHSKKSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453179890 501286373 /nfs/dbraw/zinc/28/63/73/501286373.db2.gz PPQOVOHSAFZTKM-NJDAHSKKSA-N 1 3 350.510 3.360 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453252477 501299834 /nfs/dbraw/zinc/29/98/34/501299834.db2.gz IRYKKNCAFYGAML-APWZRJJASA-N 1 3 367.559 3.219 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329550 /nfs/dbraw/zinc/32/95/50/501329550.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329551 /nfs/dbraw/zinc/32/95/51/501329551.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329554 /nfs/dbraw/zinc/32/95/54/501329554.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329557 /nfs/dbraw/zinc/32/95/57/501329557.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598970175 506253329 /nfs/dbraw/zinc/25/33/29/506253329.db2.gz ZELBQODTWIMUTN-UHFFFAOYSA-N 1 3 368.543 3.028 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000454158894 501472793 /nfs/dbraw/zinc/47/27/93/501472793.db2.gz ZEDMDFHXDKXIEJ-UHFFFAOYSA-N 1 3 372.557 3.216 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454190242 501478950 /nfs/dbraw/zinc/47/89/50/501478950.db2.gz IJZCSLLSCOBNFC-IBGZPJMESA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000454195303 501479947 /nfs/dbraw/zinc/47/99/47/501479947.db2.gz PWQODJWAJLXQEC-OAQYLSRUSA-N 1 3 372.557 3.386 20 0 FGADHO CCOC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007308 501599752 /nfs/dbraw/zinc/59/97/52/501599752.db2.gz CWZMYCRQJSWZSP-SFTDATJTSA-N 1 3 360.542 3.006 20 0 FGADHO CCOC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007308 501599754 /nfs/dbraw/zinc/59/97/54/501599754.db2.gz CWZMYCRQJSWZSP-SFTDATJTSA-N 1 3 360.542 3.006 20 0 FGADHO COc1cccc([C@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CCN2C2CC2)c1 ZINC000459456295 501656914 /nfs/dbraw/zinc/65/69/14/501656914.db2.gz HKNNTDSUCODZNQ-VXKWHMMOSA-N 1 3 355.526 3.189 20 0 FGADHO CC1(c2ccccc2)CC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000459469377 501658936 /nfs/dbraw/zinc/65/89/36/501658936.db2.gz SCOHMZZZMISWQU-OOMBGRCJSA-N 1 3 350.506 3.463 20 0 FGADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1 ZINC000457413407 501694760 /nfs/dbraw/zinc/69/47/60/501694760.db2.gz CJVFVVQLAGBHRU-IBGZPJMESA-N 1 3 374.554 3.124 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000457536328 501718351 /nfs/dbraw/zinc/71/83/51/501718351.db2.gz VIAYPAJCHXIQLB-HXUWFJFHSA-N 1 3 360.546 3.153 20 0 FGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1I ZINC000467373203 501779775 /nfs/dbraw/zinc/77/97/75/501779775.db2.gz KDMSIPYXOUPOIX-WFASDCNBSA-N 1 3 358.267 3.029 20 0 FGADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373203 501779779 /nfs/dbraw/zinc/77/97/79/501779779.db2.gz KDMSIPYXOUPOIX-WFASDCNBSA-N 1 3 358.267 3.029 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470758276 501793987 /nfs/dbraw/zinc/79/39/87/501793987.db2.gz WDYVGTHCHNRCFX-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000467444976 501796822 /nfs/dbraw/zinc/79/68/22/501796822.db2.gz XZWMOIVFMLCGHF-UHFFFAOYSA-N 1 3 350.551 3.343 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000467444976 501796825 /nfs/dbraw/zinc/79/68/25/501796825.db2.gz XZWMOIVFMLCGHF-UHFFFAOYSA-N 1 3 350.551 3.343 20 0 FGADHO CCCN(CCC)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460347171 501798961 /nfs/dbraw/zinc/79/89/61/501798961.db2.gz MTMKTQWXYSDJAD-OALUTQOASA-N 1 3 359.558 3.381 20 0 FGADHO C[NH+](C)CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000460507317 501842726 /nfs/dbraw/zinc/84/27/26/501842726.db2.gz KIQKGSLMGDUEGP-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000464071304 501890439 /nfs/dbraw/zinc/89/04/39/501890439.db2.gz XAVZJAPGKLAIBJ-YPAWHYETSA-N 1 3 372.553 3.328 20 0 FGADHO CCN(CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891327 /nfs/dbraw/zinc/89/13/27/501891327.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 1 3 369.475 3.325 20 0 FGADHO CCN(CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891331 /nfs/dbraw/zinc/89/13/31/501891331.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 1 3 369.475 3.325 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481917086 501917485 /nfs/dbraw/zinc/91/74/85/501917485.db2.gz OZLYEXKZJBWSPL-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000478408688 501971283 /nfs/dbraw/zinc/97/12/83/501971283.db2.gz VSOKVJQERRWSIR-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285217 502015639 /nfs/dbraw/zinc/01/56/39/502015639.db2.gz JDURGPXMVDRENF-SFHVURJKSA-N 1 3 367.484 3.041 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285217 502015642 /nfs/dbraw/zinc/01/56/42/502015642.db2.gz JDURGPXMVDRENF-SFHVURJKSA-N 1 3 367.484 3.041 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000475031656 502027219 /nfs/dbraw/zinc/02/72/19/502027219.db2.gz KFBSVGOLVLSORR-LVCYWYKZSA-N 1 3 352.563 3.139 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475129612 502070719 /nfs/dbraw/zinc/07/07/19/502070719.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475129612 502070722 /nfs/dbraw/zinc/07/07/22/502070722.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO CO[C@@H](CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)C(F)(F)F ZINC000468613022 502125049 /nfs/dbraw/zinc/12/50/49/502125049.db2.gz QVLVEHWDLOPATO-SFHVURJKSA-N 1 3 373.463 3.274 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000468695610 502150045 /nfs/dbraw/zinc/15/00/45/502150045.db2.gz GQJPWPKHHZWTIA-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000468695610 502150047 /nfs/dbraw/zinc/15/00/47/502150047.db2.gz GQJPWPKHHZWTIA-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750416 502170612 /nfs/dbraw/zinc/17/06/12/502170612.db2.gz ZHPBHPODAOZTPM-CALCHBBNSA-N 1 3 361.555 3.089 20 0 FGADHO C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486532912 502183689 /nfs/dbraw/zinc/18/36/89/502183689.db2.gz GHRAAAUHTLSYRL-XLIONFOSSA-N 1 3 361.493 3.472 20 0 FGADHO CC(C)OCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163679 502253731 /nfs/dbraw/zinc/25/37/31/502253731.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 1 3 360.542 3.151 20 0 FGADHO CC(C)OCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163679 502253737 /nfs/dbraw/zinc/25/37/37/502253737.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 1 3 360.542 3.151 20 0 FGADHO CC[C@@H]1CN(CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236799 502280328 /nfs/dbraw/zinc/28/03/28/502280328.db2.gz CBQSQZADOYCYNR-NQIIRXRSSA-N 1 3 357.542 3.103 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CCCC1 ZINC000465552193 502304244 /nfs/dbraw/zinc/30/42/44/502304244.db2.gz ZLOWBHVJLYNOCQ-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CCCC1 ZINC000465552193 502304247 /nfs/dbraw/zinc/30/42/47/502304247.db2.gz ZLOWBHVJLYNOCQ-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000475904470 502327355 /nfs/dbraw/zinc/32/73/55/502327355.db2.gz ZHIWOGDTMSUNQC-OAHLLOKOSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425823 502412738 /nfs/dbraw/zinc/41/27/38/502412738.db2.gz GMOYMLQOCHVZGR-NRFANRHFSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465886185 502415993 /nfs/dbraw/zinc/41/59/93/502415993.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465886185 502415998 /nfs/dbraw/zinc/41/59/98/502415998.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000466030884 502459663 /nfs/dbraw/zinc/45/96/63/502459663.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000466030884 502459666 /nfs/dbraw/zinc/45/96/66/502459666.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466084922 502474240 /nfs/dbraw/zinc/47/42/40/502474240.db2.gz LNACSDLPCDFPOY-VAMGGRTRSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466084922 502474244 /nfs/dbraw/zinc/47/42/44/502474244.db2.gz LNACSDLPCDFPOY-VAMGGRTRSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000462535418 502478635 /nfs/dbraw/zinc/47/86/35/502478635.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000462535418 502478637 /nfs/dbraw/zinc/47/86/37/502478637.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970074 502488093 /nfs/dbraw/zinc/48/80/93/502488093.db2.gz KLAADWGEBINFCM-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970074 502488097 /nfs/dbraw/zinc/48/80/97/502488097.db2.gz KLAADWGEBINFCM-MOPGFXCFSA-N 1 3 360.546 3.071 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)N(C)C)cc1 ZINC000476631417 502544803 /nfs/dbraw/zinc/54/48/03/502544803.db2.gz RLCPNFNSJPVJNH-PMACEKPBSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)N(C)C)cc1 ZINC000476631417 502544807 /nfs/dbraw/zinc/54/48/07/502544807.db2.gz RLCPNFNSJPVJNH-PMACEKPBSA-N 1 3 360.546 3.025 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469884989 502583440 /nfs/dbraw/zinc/58/34/40/502583440.db2.gz RBXFLLXWEKXPNZ-NNWRFLSQSA-N 1 3 352.526 3.416 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600043 502616528 /nfs/dbraw/zinc/61/65/28/502616528.db2.gz HJBAYSZDQMAIQN-AVRDEDQJSA-N 1 3 365.521 3.437 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600043 502616533 /nfs/dbraw/zinc/61/65/33/502616533.db2.gz HJBAYSZDQMAIQN-AVRDEDQJSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609543 502619599 /nfs/dbraw/zinc/61/95/99/502619599.db2.gz LPDNTNBEILAVCS-IAGOWNOFSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609543 502619604 /nfs/dbraw/zinc/61/96/04/502619604.db2.gz LPDNTNBEILAVCS-IAGOWNOFSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374613 502634789 /nfs/dbraw/zinc/63/47/89/502634789.db2.gz REWGAKFWLLUJOT-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO COC(=O)c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)n(C)c1C ZINC000462949472 502639927 /nfs/dbraw/zinc/63/99/27/502639927.db2.gz AHJUDFXOICAJAD-UHFFFAOYSA-N 1 3 361.530 3.208 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000463058418 502678472 /nfs/dbraw/zinc/67/84/72/502678472.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000463058418 502678477 /nfs/dbraw/zinc/67/84/77/502678477.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000477192587 502703955 /nfs/dbraw/zinc/70/39/55/502703955.db2.gz KJUGEVBFXZMGJP-PWRODBHTSA-N 1 3 372.557 3.069 20 0 FGADHO CCN1CCN(c2ccccc2CNCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000480915598 502704346 /nfs/dbraw/zinc/70/43/46/502704346.db2.gz ZETSUIYMZDPALX-UHFFFAOYSA-N 1 3 358.574 3.040 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478268 502725291 /nfs/dbraw/zinc/72/52/91/502725291.db2.gz BMYXMWSCGCJODI-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC000488478268 502725296 /nfs/dbraw/zinc/72/52/96/502725296.db2.gz BMYXMWSCGCJODI-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000477356558 502752236 /nfs/dbraw/zinc/75/22/36/502752236.db2.gz BQSBGLJDNSJDAX-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CNC2 ZINC000470369059 502752490 /nfs/dbraw/zinc/75/24/90/502752490.db2.gz ILITWXAMGSBZEM-UHFFFAOYSA-N 1 3 357.420 3.026 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000488584012 502757967 /nfs/dbraw/zinc/75/79/67/502757967.db2.gz QHDJOYVARDJJBE-GHTZIAJQSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000488584012 502757975 /nfs/dbraw/zinc/75/79/75/502757975.db2.gz QHDJOYVARDJJBE-GHTZIAJQSA-N 1 3 372.557 3.114 20 0 FGADHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781751 /nfs/dbraw/zinc/78/17/51/502781751.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781756 /nfs/dbraw/zinc/78/17/56/502781756.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)N1CCCCCC1 ZINC000467098549 502786864 /nfs/dbraw/zinc/78/68/64/502786864.db2.gz BTCUNCDXOGUALW-QGZVFWFLSA-N 1 3 356.514 3.406 20 0 FGADHO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000588774125 506335117 /nfs/dbraw/zinc/33/51/17/506335117.db2.gz PVZPDXJLOHCIKE-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000509133217 502829775 /nfs/dbraw/zinc/82/97/75/502829775.db2.gz XEZZDPDHSJYEMA-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000509133217 502829780 /nfs/dbraw/zinc/82/97/80/502829780.db2.gz XEZZDPDHSJYEMA-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684642 502858118 /nfs/dbraw/zinc/85/81/18/502858118.db2.gz PYNUMHGFNFIIAJ-OAQYLSRUSA-N 1 3 355.526 3.275 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1)C(C)C ZINC000495728415 502861409 /nfs/dbraw/zinc/86/14/09/502861409.db2.gz NSZKAQNTJWLOPW-RTBURBONSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1)C(C)C ZINC000495728415 502861411 /nfs/dbraw/zinc/86/14/11/502861411.db2.gz NSZKAQNTJWLOPW-RTBURBONSA-N 1 3 363.571 3.035 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091563 502877788 /nfs/dbraw/zinc/87/77/88/502877788.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091563 502877791 /nfs/dbraw/zinc/87/77/91/502877791.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 1 3 372.557 3.072 20 0 FGADHO C[N@@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C2(CCCCC2)C1 ZINC000509380810 502887715 /nfs/dbraw/zinc/88/77/15/502887715.db2.gz VNCYSQXUGBHBIS-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO C[N@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C2(CCCCC2)C1 ZINC000509380810 502887720 /nfs/dbraw/zinc/88/77/20/502887720.db2.gz VNCYSQXUGBHBIS-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN(C2CCC2)C1 ZINC000489148806 502888122 /nfs/dbraw/zinc/88/81/22/502888122.db2.gz JVFLSISWDYPNPR-IBGZPJMESA-N 1 3 364.578 3.158 20 0 FGADHO C[N@H+](CCc1ccc2c(c1)CCO2)CC1CCN(c2ccncc2)CC1 ZINC000501030618 502915824 /nfs/dbraw/zinc/91/58/24/502915824.db2.gz MEUKTJRUVRWKOD-UHFFFAOYSA-N 1 3 351.494 3.407 20 0 FGADHO C[N@@H+](CCc1ccc2c(c1)CCO2)CC1CCN(c2ccncc2)CC1 ZINC000501030618 502915829 /nfs/dbraw/zinc/91/58/29/502915829.db2.gz MEUKTJRUVRWKOD-UHFFFAOYSA-N 1 3 351.494 3.407 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000497122827 502923016 /nfs/dbraw/zinc/92/30/16/502923016.db2.gz BPXRHKQKMZVHDV-IRLDBZIGSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000497122827 502923020 /nfs/dbraw/zinc/92/30/20/502923020.db2.gz BPXRHKQKMZVHDV-IRLDBZIGSA-N 1 3 359.558 3.202 20 0 FGADHO CC(C)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000501151559 502949341 /nfs/dbraw/zinc/94/93/41/502949341.db2.gz UHEHVRZRLDSRQS-FQEVSTJZSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000513523323 502958788 /nfs/dbraw/zinc/95/87/88/502958788.db2.gz ZOEXXKKFQCKJBM-IBGZPJMESA-N 1 3 361.505 3.030 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727446 502974238 /nfs/dbraw/zinc/97/42/38/502974238.db2.gz ZOFXATAISUKGQR-OAQYLSRUSA-N 1 3 357.542 3.054 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727446 502974239 /nfs/dbraw/zinc/97/42/39/502974239.db2.gz ZOFXATAISUKGQR-OAQYLSRUSA-N 1 3 357.542 3.054 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520233 502978198 /nfs/dbraw/zinc/97/81/98/502978198.db2.gz CHFYNXZIYVXUTQ-QUCCMNQESA-N 1 3 373.541 3.201 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1 ZINC000497549533 502985232 /nfs/dbraw/zinc/98/52/32/502985232.db2.gz AOYPZRNEWBORKA-QZTJIDSGSA-N 1 3 366.525 3.094 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501498999 503021388 /nfs/dbraw/zinc/02/13/88/503021388.db2.gz BSHMRJKPZWHYMX-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501498999 503021389 /nfs/dbraw/zinc/02/13/89/503021389.db2.gz BSHMRJKPZWHYMX-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515808 503026844 /nfs/dbraw/zinc/02/68/44/503026844.db2.gz CUEOOZWPQBYORS-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501515808 503026847 /nfs/dbraw/zinc/02/68/47/503026847.db2.gz CUEOOZWPQBYORS-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000501550412 503035479 /nfs/dbraw/zinc/03/54/79/503035479.db2.gz KPQHIDYMQMMJFM-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810056 503046395 /nfs/dbraw/zinc/04/63/95/503046395.db2.gz XMOLKIOOCQIDAM-UXHICEINSA-N 1 3 358.526 3.263 20 0 FGADHO C[C@@]1(c2ccccc2)CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097994 503048604 /nfs/dbraw/zinc/04/86/04/503048604.db2.gz HYJWIUNRLDXHIN-HSZRJFAPSA-N 1 3 369.553 3.173 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000510366237 503100222 /nfs/dbraw/zinc/10/02/22/503100222.db2.gz XKIMCHPCFZADQJ-HXUWFJFHSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000514215015 503114902 /nfs/dbraw/zinc/11/49/02/503114902.db2.gz QIALOZVRUDWJCJ-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000514215015 503114904 /nfs/dbraw/zinc/11/49/04/503114904.db2.gz QIALOZVRUDWJCJ-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514229269 503119701 /nfs/dbraw/zinc/11/97/01/503119701.db2.gz PFLSFTAOAUHVRG-CTNGQTDRSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000514229269 503119702 /nfs/dbraw/zinc/11/97/02/503119702.db2.gz PFLSFTAOAUHVRG-CTNGQTDRSA-N 1 3 372.557 3.306 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135365 503148997 /nfs/dbraw/zinc/14/89/97/503148997.db2.gz DPWHCLHFBVDTAO-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000502223327 503165688 /nfs/dbraw/zinc/16/56/88/503165688.db2.gz LGGYWBGILXIOAC-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000498418972 503183257 /nfs/dbraw/zinc/18/32/57/503183257.db2.gz AMJDBEOLIHXAJB-XLIONFOSSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502432142 503199132 /nfs/dbraw/zinc/19/91/32/503199132.db2.gz QRDQWJRFROFRER-URVUXULASA-N 1 3 355.526 3.181 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490863246 503238195 /nfs/dbraw/zinc/23/81/95/503238195.db2.gz RMQJRWALIADXNC-QZTJIDSGSA-N 1 3 372.557 3.058 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244183 /nfs/dbraw/zinc/24/41/83/503244183.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244185 /nfs/dbraw/zinc/24/41/85/503244185.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490971302 503254484 /nfs/dbraw/zinc/25/44/84/503254484.db2.gz WBCPGKMGLQQUGG-FPOVZHCZSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490971302 503254488 /nfs/dbraw/zinc/25/44/88/503254488.db2.gz WBCPGKMGLQQUGG-FPOVZHCZSA-N 1 3 359.558 3.179 20 0 FGADHO C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CCN(C)CC1 ZINC000490987782 503256251 /nfs/dbraw/zinc/25/62/51/503256251.db2.gz MXZHDHGSDDAPQF-FXAWDEMLSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CCN(C)CC1 ZINC000490987782 503256254 /nfs/dbraw/zinc/25/62/54/503256254.db2.gz MXZHDHGSDDAPQF-FXAWDEMLSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000502912249 503306581 /nfs/dbraw/zinc/30/65/81/503306581.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000502912249 503306584 /nfs/dbraw/zinc/30/65/84/503306584.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515294261 503308220 /nfs/dbraw/zinc/30/82/20/503308220.db2.gz JBOSSAIGYORCNU-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515294261 503308224 /nfs/dbraw/zinc/30/82/24/503308224.db2.gz JBOSSAIGYORCNU-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507518567 503313212 /nfs/dbraw/zinc/31/32/12/503313212.db2.gz DKQGNIRUWYDNNR-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507518567 503313214 /nfs/dbraw/zinc/31/32/14/503313214.db2.gz DKQGNIRUWYDNNR-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507518567 503313219 /nfs/dbraw/zinc/31/32/19/503313219.db2.gz DKQGNIRUWYDNNR-KZKAQZJJSA-N 1 3 368.496 3.229 20 0 FGADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000511584264 503348240 /nfs/dbraw/zinc/34/82/40/503348240.db2.gz CZNODFMPHLNSJJ-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811094 503406108 /nfs/dbraw/zinc/40/61/08/503406108.db2.gz OMYCLNHDIKUOBN-YJBOKZPZSA-N 1 3 366.937 3.103 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CCCCC3CCOCC3)CC2)CC1 ZINC000499545755 503429078 /nfs/dbraw/zinc/42/90/78/503429078.db2.gz CSZVBGDQVDTQDO-UHFFFAOYSA-N 1 3 351.579 3.074 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892021 503453844 /nfs/dbraw/zinc/45/38/44/503453844.db2.gz RQDSPVWJQSWBHV-LBEHMCEESA-N 1 3 371.447 3.188 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917842 503458087 /nfs/dbraw/zinc/45/80/87/503458087.db2.gz VHWITVMWAJJHDD-IVAOSVALSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917842 503458091 /nfs/dbraw/zinc/45/80/91/503458091.db2.gz VHWITVMWAJJHDD-IVAOSVALSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493979090 503469896 /nfs/dbraw/zinc/46/98/96/503469896.db2.gz WTLVWJXUSIVRCP-MRXNPFEDSA-N 1 3 355.320 3.303 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493979090 503469900 /nfs/dbraw/zinc/46/99/00/503469900.db2.gz WTLVWJXUSIVRCP-MRXNPFEDSA-N 1 3 355.320 3.303 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000508544916 503517939 /nfs/dbraw/zinc/51/79/39/503517939.db2.gz DFXMBFFDWVHXJQ-HXUWFJFHSA-N 1 3 372.557 3.163 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565573 503538226 /nfs/dbraw/zinc/53/82/26/503538226.db2.gz MGYUWSZIVBIADB-FPOVZHCZSA-N 1 3 374.573 3.491 20 0 FGADHO CN(C)Cc1ccc(-c2noc(-c3ccccc3OCC[NH+](C)C)n2)cc1 ZINC000504240523 503542469 /nfs/dbraw/zinc/54/24/69/503542469.db2.gz AYVDYLMFQHJYMD-UHFFFAOYSA-N 1 3 366.465 3.406 20 0 FGADHO C[C@H](O)C[C@@H]1CCCCCN1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439321 503550863 /nfs/dbraw/zinc/55/08/63/503550863.db2.gz QAMQONNZYSBDCY-TUFLPTIASA-N 1 3 354.579 3.408 20 0 FGADHO C[C@H](O)C[C@@H]1CCCCCN1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439321 503550864 /nfs/dbraw/zinc/55/08/64/503550864.db2.gz QAMQONNZYSBDCY-TUFLPTIASA-N 1 3 354.579 3.408 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000504420579 503572518 /nfs/dbraw/zinc/57/25/18/503572518.db2.gz XIPMLRKQDRZZLW-PMACEKPBSA-N 1 3 360.546 3.192 20 0 FGADHO CCN(CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000494630123 503578621 /nfs/dbraw/zinc/57/86/21/503578621.db2.gz FHZRFOUFBGCOGL-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508882796 503587490 /nfs/dbraw/zinc/58/74/90/503587490.db2.gz RHLGQADKOUEIBW-JTJHWIPRSA-N 1 3 372.557 3.254 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508882796 503587493 /nfs/dbraw/zinc/58/74/93/503587493.db2.gz RHLGQADKOUEIBW-JTJHWIPRSA-N 1 3 372.557 3.254 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)N(C)C ZINC000508891140 503590337 /nfs/dbraw/zinc/59/03/37/503590337.db2.gz ARUIOSUCCZJVOE-PKOBYXMFSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508924956 503601287 /nfs/dbraw/zinc/60/12/87/503601287.db2.gz QVQXSIBMFBKZRD-WKLXEZJCSA-N 1 3 372.557 3.253 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508924956 503601290 /nfs/dbraw/zinc/60/12/90/503601290.db2.gz QVQXSIBMFBKZRD-WKLXEZJCSA-N 1 3 372.557 3.253 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000536666705 503668879 /nfs/dbraw/zinc/66/88/79/503668879.db2.gz RTWUOPKHAQEDGO-GHTZIAJQSA-N 1 3 371.569 3.248 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000536666705 503668884 /nfs/dbraw/zinc/66/88/84/503668884.db2.gz RTWUOPKHAQEDGO-GHTZIAJQSA-N 1 3 371.569 3.248 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000517112054 503671769 /nfs/dbraw/zinc/67/17/69/503671769.db2.gz IEKXHVZLCUGDJN-SFTDATJTSA-N 1 3 372.557 3.258 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2CC(C)C)[C@H](C)C1 ZINC000540147206 503688972 /nfs/dbraw/zinc/68/89/72/503688972.db2.gz QNDKPEBAKCIPDC-NJYVYQBISA-N 1 3 353.595 3.224 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533051060 503714307 /nfs/dbraw/zinc/71/43/07/503714307.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533051060 503714313 /nfs/dbraw/zinc/71/43/13/503714313.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1cccc(C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C2CC2)c1 ZINC000536832680 503736279 /nfs/dbraw/zinc/73/62/79/503736279.db2.gz MPHXXXGQTPRRHQ-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000533155519 503745425 /nfs/dbraw/zinc/74/54/25/503745425.db2.gz ABAASFVQUNMWHQ-UHFFFAOYSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388949 503756522 /nfs/dbraw/zinc/75/65/22/503756522.db2.gz XQBADYLEJQQQKY-OXQOHEQNSA-N 1 3 352.482 3.469 20 0 FGADHO CCC1(C[NH2+][C@@H](C)CS(=O)(=O)CC)CCN(Cc2ccccc2)CC1 ZINC000537093200 503800956 /nfs/dbraw/zinc/80/09/56/503800956.db2.gz BKXCATYQMAHTOM-SFHVURJKSA-N 1 3 366.571 3.092 20 0 FGADHO CC(CN1CCC2(CCOCC2)[C@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573911 503816493 /nfs/dbraw/zinc/81/64/93/503816493.db2.gz JQTROSQVHQKOTL-WOJBJXKFSA-N 1 3 364.574 3.405 20 0 FGADHO CC(CN1CCC2(CCOCC2)[C@H]1C)C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573911 503816495 /nfs/dbraw/zinc/81/64/95/503816495.db2.gz JQTROSQVHQKOTL-WOJBJXKFSA-N 1 3 364.574 3.405 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000517769881 503832944 /nfs/dbraw/zinc/83/29/44/503832944.db2.gz WEDZFRLXKGBEPZ-QGZVFWFLSA-N 1 3 360.546 3.147 20 0 FGADHO CC(C)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345398 503884057 /nfs/dbraw/zinc/88/40/57/503884057.db2.gz ZGOQDZUJNKUXDR-XLIONFOSSA-N 1 3 357.498 3.307 20 0 FGADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000533741320 503938710 /nfs/dbraw/zinc/93/87/10/503938710.db2.gz GBGWQENVGQGVRV-IYBDPMFKSA-N 1 3 350.551 3.234 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534148 503945152 /nfs/dbraw/zinc/94/51/52/503945152.db2.gz APIIUZWEFHUHKS-PGRDOPGGSA-N 1 3 368.525 3.345 20 0 FGADHO CN(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)Cc1ccccc1 ZINC000533809776 503957385 /nfs/dbraw/zinc/95/73/85/503957385.db2.gz WEZZPNLULLLQCR-HXUWFJFHSA-N 1 3 374.573 3.113 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855450 503973504 /nfs/dbraw/zinc/97/35/04/503973504.db2.gz XVHSLVQJRVZPTN-IBGZPJMESA-N 1 3 353.913 3.474 20 0 FGADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000537629398 503983255 /nfs/dbraw/zinc/98/32/55/503983255.db2.gz FLNJHLLSXGZILR-UHFFFAOYSA-N 1 3 374.504 3.171 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2Cl)c1 ZINC000518519423 504007984 /nfs/dbraw/zinc/00/79/84/504007984.db2.gz TZGNIHMQMQEJKN-GOSISDBHSA-N 1 3 362.901 3.321 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2Cl)c1 ZINC000518519423 504007986 /nfs/dbraw/zinc/00/79/86/504007986.db2.gz TZGNIHMQMQEJKN-GOSISDBHSA-N 1 3 362.901 3.321 20 0 FGADHO Cc1cc([C@@H](NCCC[N@H+]2CCCN(C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102722 /nfs/dbraw/zinc/10/27/22/504102722.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@@H](NCCC[N@@H+]2CCCN(C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102727 /nfs/dbraw/zinc/10/27/27/504102727.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@@H](NCCCN2CCC[N@@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102733 /nfs/dbraw/zinc/10/27/33/504102733.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 1 3 370.516 3.236 20 0 FGADHO Cc1cc([C@@H](NCCCN2CCC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102738 /nfs/dbraw/zinc/10/27/38/504102738.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 1 3 370.516 3.236 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545741 504171144 /nfs/dbraw/zinc/17/11/44/504171144.db2.gz PDAXCWHQAFXALL-JOCHJYFZSA-N 1 3 370.516 3.173 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000519286044 504184195 /nfs/dbraw/zinc/18/41/95/504184195.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 1 3 357.542 3.294 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000519286044 504184202 /nfs/dbraw/zinc/18/42/02/504184202.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 1 3 357.542 3.294 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000519383440 504208087 /nfs/dbraw/zinc/20/80/87/504208087.db2.gz WOTBAVRTYARFPU-LEWJYISDSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000519449724 504223690 /nfs/dbraw/zinc/22/36/90/504223690.db2.gz KXWDDRXROBVIPB-ICSRJNTNSA-N 1 3 360.546 3.099 20 0 FGADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393626 504233504 /nfs/dbraw/zinc/23/35/04/504233504.db2.gz BVIQUDCXXNGEHL-RDJZCZTQSA-N 1 3 373.497 3.070 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461025 504233585 /nfs/dbraw/zinc/23/35/85/504233585.db2.gz ZOHZPMPQHBNOSX-GOEBONIOSA-N 1 3 359.436 3.327 20 0 FGADHO COC(=O)c1occc1CNCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000538396525 504234530 /nfs/dbraw/zinc/23/45/30/504234530.db2.gz ZFWPMZZZHGIAQA-UHFFFAOYSA-N 1 3 372.465 3.077 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCN(C)c1ccncc1 ZINC000541858028 504279305 /nfs/dbraw/zinc/27/93/05/504279305.db2.gz YDILUSFRWMXNSW-UHFFFAOYSA-N 1 3 354.498 3.065 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCN(C)c1ccncc1 ZINC000541858028 504279308 /nfs/dbraw/zinc/27/93/08/504279308.db2.gz YDILUSFRWMXNSW-UHFFFAOYSA-N 1 3 354.498 3.065 20 0 FGADHO c1ccc(C[N@H+]2CCC3(C2)CCN(CCOC[C@@H]2CCCO2)CC3)cc1 ZINC000534964766 504296613 /nfs/dbraw/zinc/29/66/13/504296613.db2.gz AHZUDVOWLYDNER-NRFANRHFSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(CCOC[C@@H]2CCCO2)CC3)cc1 ZINC000534964766 504296620 /nfs/dbraw/zinc/29/66/20/504296620.db2.gz AHZUDVOWLYDNER-NRFANRHFSA-N 1 3 358.526 3.170 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083714 504323503 /nfs/dbraw/zinc/32/35/03/504323503.db2.gz ZZEBTPWYRFQFEJ-JBACZVJFSA-N 1 3 357.542 3.306 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083714 504323509 /nfs/dbraw/zinc/32/35/09/504323509.db2.gz ZZEBTPWYRFQFEJ-JBACZVJFSA-N 1 3 357.542 3.306 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342801 /nfs/dbraw/zinc/34/28/01/504342801.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 1 3 358.486 3.262 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342803 /nfs/dbraw/zinc/34/28/03/504342803.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 1 3 358.486 3.262 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483286 504460943 /nfs/dbraw/zinc/46/09/43/504460943.db2.gz WAGWAPPDUDMGKI-KNQAVFIVSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@@H](NCCC(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483286 504460946 /nfs/dbraw/zinc/46/09/46/504460946.db2.gz WAGWAPPDUDMGKI-KNQAVFIVSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@@H](NCCC(=O)NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483286 504460949 /nfs/dbraw/zinc/46/09/49/504460949.db2.gz WAGWAPPDUDMGKI-KNQAVFIVSA-N 1 3 365.521 3.193 20 0 FGADHO COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548483525 504462372 /nfs/dbraw/zinc/46/23/72/504462372.db2.gz CDDVQYRHYLNWGH-TZIWHRDSSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075802 504465641 /nfs/dbraw/zinc/46/56/41/504465641.db2.gz LMTUHSTWIQORQR-IXDOHACOSA-N 1 3 359.514 3.111 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCN1CCC(C)CC1 ZINC000520544253 504524727 /nfs/dbraw/zinc/52/47/27/504524727.db2.gz SPLYFBRZLMKLIO-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)C1CCOCC1 ZINC000532192730 504568636 /nfs/dbraw/zinc/56/86/36/504568636.db2.gz GRDRFYCWPPRLMZ-JOCHJYFZSA-N 1 3 359.558 3.119 20 0 FGADHO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000520856261 504597180 /nfs/dbraw/zinc/59/71/80/504597180.db2.gz WLIDYVKFBAUIKG-IBGZPJMESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823086 504625737 /nfs/dbraw/zinc/62/57/37/504625737.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823086 504625741 /nfs/dbraw/zinc/62/57/41/504625741.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)NCC[NH+](C)C ZINC000539647073 504637707 /nfs/dbraw/zinc/63/77/07/504637707.db2.gz SKOOXCWOCJGWQW-DYVFJYSZSA-N 1 3 357.901 3.222 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473543 504662296 /nfs/dbraw/zinc/66/22/96/504662296.db2.gz GJMRYARALMXNHV-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473543 504662304 /nfs/dbraw/zinc/66/23/04/504662304.db2.gz GJMRYARALMXNHV-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000532473543 504662310 /nfs/dbraw/zinc/66/23/10/504662310.db2.gz GJMRYARALMXNHV-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000532531840 504684896 /nfs/dbraw/zinc/68/48/96/504684896.db2.gz UDKDNTGUFRKMEK-INIZCTEOSA-N 1 3 374.447 3.199 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000539831443 504707860 /nfs/dbraw/zinc/70/78/60/504707860.db2.gz DLYZQROUBGTWCJ-UHFFFAOYSA-N 1 3 356.514 3.032 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000559276613 504817139 /nfs/dbraw/zinc/81/71/39/504817139.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000559276613 504817143 /nfs/dbraw/zinc/81/71/43/504817143.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 1 3 357.542 3.374 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](CC(C)C)C3)CC2)CC1 ZINC000565185396 504820954 /nfs/dbraw/zinc/82/09/54/504820954.db2.gz JNBWKBVJGSWNMZ-LJQANCHMSA-N 1 3 363.590 3.467 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@H]3C(C)C)CC2)CC1 ZINC000565202765 504824930 /nfs/dbraw/zinc/82/49/30/504824930.db2.gz BJEWTZFTHFPVSE-HXUWFJFHSA-N 1 3 361.574 3.220 20 0 FGADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172693 504844184 /nfs/dbraw/zinc/84/41/84/504844184.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172693 504844186 /nfs/dbraw/zinc/84/41/86/504844186.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 1 3 369.553 3.372 20 0 FGADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565302958 504849204 /nfs/dbraw/zinc/84/92/04/504849204.db2.gz ICRPPJGHRZBFLN-JKSUJKDBSA-N 1 3 371.506 3.360 20 0 FGADHO CCCCOc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000565391807 504873047 /nfs/dbraw/zinc/87/30/47/504873047.db2.gz YRCKVAYRQAEETL-UHFFFAOYSA-N 1 3 359.558 3.325 20 0 FGADHO Clc1ccc([C@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000565476556 504899123 /nfs/dbraw/zinc/89/91/23/504899123.db2.gz RPBXOQSEFDQPLJ-IAGOWNOFSA-N 1 3 359.905 3.351 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921417 /nfs/dbraw/zinc/92/14/17/504921417.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 1 3 359.558 3.301 20 0 FGADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000553623947 504966294 /nfs/dbraw/zinc/96/62/94/504966294.db2.gz BXEAAJLGMMIFAT-HXUWFJFHSA-N 1 3 357.542 3.075 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963557 505032312 /nfs/dbraw/zinc/03/23/12/505032312.db2.gz PRTJBVYOZCBTHY-ICSRJNTNSA-N 1 3 362.514 3.201 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc2c1CCNC2 ZINC000565940632 505033377 /nfs/dbraw/zinc/03/33/77/505033377.db2.gz ZWWCMCUDPKFXSI-UHFFFAOYSA-N 1 3 366.509 3.448 20 0 FGADHO CC1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000563099967 505048150 /nfs/dbraw/zinc/04/81/50/505048150.db2.gz JGIPIFVLXGGXFN-SFTDATJTSA-N 1 3 369.553 3.137 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063611 505070183 /nfs/dbraw/zinc/07/01/83/505070183.db2.gz DUPKJRPKNOKMBW-QYZOEREBSA-N 1 3 370.493 3.291 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063611 505070187 /nfs/dbraw/zinc/07/01/87/505070187.db2.gz DUPKJRPKNOKMBW-QYZOEREBSA-N 1 3 370.493 3.291 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071990 /nfs/dbraw/zinc/07/19/90/505071990.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 1 3 358.551 3.414 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071991 /nfs/dbraw/zinc/07/19/91/505071991.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 1 3 358.551 3.414 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000566088766 505076111 /nfs/dbraw/zinc/07/61/11/505076111.db2.gz KZFVDFMHBXJLNR-JOQOYGCGSA-N 1 3 360.452 3.250 20 0 FGADHO Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CCCC2)cc1C ZINC000566089339 505077240 /nfs/dbraw/zinc/07/72/40/505077240.db2.gz ZVSORZSDUHPHBP-YSIASYRMSA-N 1 3 373.541 3.144 20 0 FGADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CCCC2)cc1C ZINC000566089339 505077243 /nfs/dbraw/zinc/07/72/43/505077243.db2.gz ZVSORZSDUHPHBP-YSIASYRMSA-N 1 3 373.541 3.144 20 0 FGADHO Clc1ccc2sc(C3CCN(CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000563215654 505077790 /nfs/dbraw/zinc/07/77/90/505077790.db2.gz LXAVTEUQANYBNC-UHFFFAOYSA-N 1 3 364.946 3.034 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700348 505085923 /nfs/dbraw/zinc/08/59/23/505085923.db2.gz GASOQRJJKYWSGV-VXKWHMMOSA-N 1 3 371.569 3.447 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000566171372 505103602 /nfs/dbraw/zinc/10/36/02/505103602.db2.gz CKYWPVNQQLOANK-OAQYLSRUSA-N 1 3 351.494 3.159 20 0 FGADHO c1ccc(N2CCO[C@H](CN3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000563350127 505116886 /nfs/dbraw/zinc/11/68/86/505116886.db2.gz LJBVEQUJOJZLTA-HSZRJFAPSA-N 1 3 371.569 3.480 20 0 FGADHO c1ccc(OCc2cccnc2)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000566230300 505118899 /nfs/dbraw/zinc/11/88/99/505118899.db2.gz ZZHHOVLGYAAGOK-FQEVSTJZSA-N 1 3 351.494 3.482 20 0 FGADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000560543232 505120672 /nfs/dbraw/zinc/12/06/72/505120672.db2.gz BGQTXQHKKUAKEA-NMVRNDPTSA-N 1 3 365.880 3.047 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557482130 505147127 /nfs/dbraw/zinc/14/71/27/505147127.db2.gz XNCPXHAOGVLYDT-QFIPXVFZSA-N 1 3 365.521 3.099 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557482130 505147131 /nfs/dbraw/zinc/14/71/31/505147131.db2.gz XNCPXHAOGVLYDT-QFIPXVFZSA-N 1 3 365.521 3.099 20 0 FGADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC000554412852 505169744 /nfs/dbraw/zinc/16/97/44/505169744.db2.gz SVZBPXBAKTZXKP-FQEVSTJZSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000560920542 505211343 /nfs/dbraw/zinc/21/13/43/505211343.db2.gz SAEAKOXMLNMULQ-IEBWSBKVSA-N 1 3 362.514 3.006 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000554603776 505219044 /nfs/dbraw/zinc/21/90/44/505219044.db2.gz ABNZTSZCUOEGIK-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000554603776 505219047 /nfs/dbraw/zinc/21/90/47/505219047.db2.gz ABNZTSZCUOEGIK-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751455 505228257 /nfs/dbraw/zinc/22/82/57/505228257.db2.gz CJJQPCGHOPHDKA-SFHVURJKSA-N 1 3 365.587 3.265 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751455 505228261 /nfs/dbraw/zinc/22/82/61/505228261.db2.gz CJJQPCGHOPHDKA-SFHVURJKSA-N 1 3 365.587 3.265 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4oc(C)nc4c3)CC2)CC1 ZINC000561089567 505247620 /nfs/dbraw/zinc/24/76/20/505247620.db2.gz NRMICHMDKLNLRK-UHFFFAOYSA-N 1 3 370.497 3.271 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)CC1 ZINC000566747231 505263010 /nfs/dbraw/zinc/26/30/10/505263010.db2.gz FBMZBKCKEDKKMP-GGPKGHCWSA-N 1 3 363.590 3.371 20 0 FGADHO O=C(CN[C@@H](c1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000561198956 505277491 /nfs/dbraw/zinc/27/74/91/505277491.db2.gz CVTLBVFWKYAIIA-JOCHJYFZSA-N 1 3 373.516 3.390 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554856266 505282678 /nfs/dbraw/zinc/28/26/78/505282678.db2.gz NOQJUQQNNYJOPJ-QUCCMNQESA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856266 505282683 /nfs/dbraw/zinc/28/26/83/505282683.db2.gz NOQJUQQNNYJOPJ-QUCCMNQESA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H](NCCC(=O)NC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856266 505282688 /nfs/dbraw/zinc/28/26/88/505282688.db2.gz NOQJUQQNNYJOPJ-QUCCMNQESA-N 1 3 357.542 3.326 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000558095934 505306963 /nfs/dbraw/zinc/30/69/63/505306963.db2.gz ORKKRXQWWOXIRN-GOSISDBHSA-N 1 3 372.557 3.243 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000558252909 505345361 /nfs/dbraw/zinc/34/53/61/505345361.db2.gz AUKZFTCWSZDSJC-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000558252909 505345364 /nfs/dbraw/zinc/34/53/64/505345364.db2.gz AUKZFTCWSZDSJC-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000558252909 505345367 /nfs/dbraw/zinc/34/53/67/505345367.db2.gz AUKZFTCWSZDSJC-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000564294056 505374876 /nfs/dbraw/zinc/37/48/76/505374876.db2.gz UTNUEQHRRGJERM-HXUWFJFHSA-N 1 3 361.489 3.351 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000552044160 505379969 /nfs/dbraw/zinc/37/99/69/505379969.db2.gz SLDLZTPXPDEWTB-QZWWFDLISA-N 1 3 365.468 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000552044160 505379974 /nfs/dbraw/zinc/37/99/74/505379974.db2.gz SLDLZTPXPDEWTB-QZWWFDLISA-N 1 3 365.468 3.329 20 0 FGADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000555230805 505385648 /nfs/dbraw/zinc/38/56/48/505385648.db2.gz HBZLIHPJBALKHG-MAUKXSAKSA-N 1 3 351.922 3.323 20 0 FGADHO CCC[NH+]1CCC(CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000567314852 505424999 /nfs/dbraw/zinc/42/49/99/505424999.db2.gz XVNMOOCBFDNKRX-UHFFFAOYSA-N 1 3 365.319 3.308 20 0 FGADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000567333359 505432811 /nfs/dbraw/zinc/43/28/11/505432811.db2.gz UHNGCKIEWCUJRV-SFHVURJKSA-N 1 3 370.497 3.141 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000561784850 505436831 /nfs/dbraw/zinc/43/68/31/505436831.db2.gz LKRQRCVNCJXDJP-UXHICEINSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000561784850 505436835 /nfs/dbraw/zinc/43/68/35/505436835.db2.gz LKRQRCVNCJXDJP-UXHICEINSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000561784842 505437041 /nfs/dbraw/zinc/43/70/41/505437041.db2.gz LKRQRCVNCJXDJP-PMACEKPBSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000561784842 505437044 /nfs/dbraw/zinc/43/70/44/505437044.db2.gz LKRQRCVNCJXDJP-PMACEKPBSA-N 1 3 369.553 3.444 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093064 505516248 /nfs/dbraw/zinc/51/62/48/505516248.db2.gz UWRVKSCZDULSAH-IUODEOHRSA-N 1 3 368.403 3.271 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093064 505516252 /nfs/dbraw/zinc/51/62/52/505516252.db2.gz UWRVKSCZDULSAH-IUODEOHRSA-N 1 3 368.403 3.271 20 0 FGADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc21 ZINC000567642334 505522885 /nfs/dbraw/zinc/52/28/85/505522885.db2.gz JMFLHGGZWFLHSY-MOPGFXCFSA-N 1 3 366.461 3.198 20 0 FGADHO COc1cncc(/C=C\CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901053 505553640 /nfs/dbraw/zinc/55/36/40/505553640.db2.gz ZBZZHSVQBFCXFO-HAKIGUCZSA-N 1 3 373.541 3.315 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818319 505559532 /nfs/dbraw/zinc/55/95/32/505559532.db2.gz JZXMLSBRJNCRCS-RXVVDRJESA-N 1 3 373.541 3.069 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818319 505559534 /nfs/dbraw/zinc/55/95/34/505559534.db2.gz JZXMLSBRJNCRCS-RXVVDRJESA-N 1 3 373.541 3.069 20 0 FGADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000608617255 506633610 /nfs/dbraw/zinc/63/36/10/506633610.db2.gz UYUSLABVRXJHGP-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604116116 506720013 /nfs/dbraw/zinc/72/00/13/506720013.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604116116 506720019 /nfs/dbraw/zinc/72/00/19/506720019.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000604179041 506739555 /nfs/dbraw/zinc/73/95/55/506739555.db2.gz ANHODMGKKUNDSL-PMACEKPBSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000604179041 506739558 /nfs/dbraw/zinc/73/95/58/506739558.db2.gz ANHODMGKKUNDSL-PMACEKPBSA-N 1 3 374.573 3.189 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604201566 506749365 /nfs/dbraw/zinc/74/93/65/506749365.db2.gz ABAGTGGFMIQNIB-NRFANRHFSA-N 1 3 372.557 3.197 20 0 FGADHO COC(=O)Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000600185955 506829718 /nfs/dbraw/zinc/82/97/18/506829718.db2.gz VTIXYMCERSJNJE-PGRDOPGGSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185955 506829722 /nfs/dbraw/zinc/82/97/22/506829722.db2.gz VTIXYMCERSJNJE-PGRDOPGGSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000600185955 506829725 /nfs/dbraw/zinc/82/97/25/506829725.db2.gz VTIXYMCERSJNJE-PGRDOPGGSA-N 1 3 366.505 3.402 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000604648336 506901442 /nfs/dbraw/zinc/90/14/42/506901442.db2.gz LCGVQANUPSEKBD-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC000604784712 506943077 /nfs/dbraw/zinc/94/30/77/506943077.db2.gz NIHMEIQHJWQCPZ-OALUTQOASA-N 1 3 362.562 3.263 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000600473845 506961754 /nfs/dbraw/zinc/96/17/54/506961754.db2.gz SDJHSNGGIIWMCY-NRFANRHFSA-N 1 3 372.557 3.066 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863732 506966111 /nfs/dbraw/zinc/96/61/11/506966111.db2.gz DXNCDYSEEUACPI-QGZVFWFLSA-N 1 3 374.504 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863732 506966117 /nfs/dbraw/zinc/96/61/17/506966117.db2.gz DXNCDYSEEUACPI-QGZVFWFLSA-N 1 3 374.504 3.104 20 0 FGADHO CCOC(=O)C1([C@@H](C)NC2(c3c(F)cccc3F)CCC2)CC[NH2+]CC1 ZINC000600714949 507079148 /nfs/dbraw/zinc/07/91/48/507079148.db2.gz VZVHBBLXNLVUBS-CQSZACIVSA-N 1 3 366.452 3.255 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000583989128 507089366 /nfs/dbraw/zinc/08/93/66/507089366.db2.gz FHKZVYJKIKOFFZ-INIZCTEOSA-N 1 3 358.448 3.461 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203114 507152457 /nfs/dbraw/zinc/15/24/57/507152457.db2.gz DKIFOOOIYJJRBI-YADHBBJMSA-N 1 3 371.569 3.178 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000591203114 507152466 /nfs/dbraw/zinc/15/24/66/507152466.db2.gz DKIFOOOIYJJRBI-YADHBBJMSA-N 1 3 371.569 3.178 20 0 FGADHO CSC1(CNCc2cn(-c3ccccc3F)nc2C)CC[NH+](C)CC1 ZINC000594521358 507169695 /nfs/dbraw/zinc/16/96/95/507169695.db2.gz PUONIKIKNLYAFJ-UHFFFAOYSA-N 1 3 362.518 3.237 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(C)C1CC1 ZINC000591555147 507289401 /nfs/dbraw/zinc/28/94/01/507289401.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(C)C1CC1 ZINC000591555147 507289406 /nfs/dbraw/zinc/28/94/06/507289406.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 1 3 372.557 3.200 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601215110 507298396 /nfs/dbraw/zinc/29/83/96/507298396.db2.gz STWYCCIBNNRDEF-WOJBJXKFSA-N 1 3 360.546 3.242 20 0 FGADHO NC[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc2ccccc2c1 ZINC000584459720 507358484 /nfs/dbraw/zinc/35/84/84/507358484.db2.gz MOKYVLJGHFGANO-SFTDATJTSA-N 1 3 366.509 3.013 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000606626369 507457644 /nfs/dbraw/zinc/45/76/44/507457644.db2.gz KFVCDIYQCJYZJB-UHFFFAOYSA-N 1 3 366.594 3.262 20 0 FGADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660224 507472536 /nfs/dbraw/zinc/47/25/36/507472536.db2.gz YEPXZIVGPJFHGM-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000595571742 507566983 /nfs/dbraw/zinc/56/69/83/507566983.db2.gz BWLOOTFQRRYBLT-PMACEKPBSA-N 1 3 357.542 3.292 20 0 FGADHO COc1cc(Br)c(CN[C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000089549453 700392237 /nfs/dbraw/zinc/39/22/37/700392237.db2.gz UKFNPFIGDCFUJM-GFCCVEGCSA-N 1 3 371.319 3.286 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161307935 705273283 /nfs/dbraw/zinc/27/32/83/705273283.db2.gz OQONPMBUWRZLNW-SFHVURJKSA-N 1 3 353.551 3.441 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161307935 705273287 /nfs/dbraw/zinc/27/32/87/705273287.db2.gz OQONPMBUWRZLNW-SFHVURJKSA-N 1 3 353.551 3.441 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289626 712690704 /nfs/dbraw/zinc/69/07/04/712690704.db2.gz TZTRQEDUBGROHT-RHSMWYFYSA-N 1 3 369.893 3.475 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414927968 714005950 /nfs/dbraw/zinc/00/59/50/714005950.db2.gz PQPOXGWTENHRRY-UXIGCNINSA-N 1 3 354.292 3.026 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000522411798 714187187 /nfs/dbraw/zinc/18/71/87/714187187.db2.gz IWCOJRWEWFKMQX-QGZVFWFLSA-N 1 3 366.575 3.161 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000522411798 714187191 /nfs/dbraw/zinc/18/71/91/714187191.db2.gz IWCOJRWEWFKMQX-QGZVFWFLSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000617506451 714663157 /nfs/dbraw/zinc/66/31/57/714663157.db2.gz NXQSPJJOEIWIGB-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000617506451 714663159 /nfs/dbraw/zinc/66/31/59/714663159.db2.gz NXQSPJJOEIWIGB-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1(C)C ZINC000623405553 715328990 /nfs/dbraw/zinc/32/89/90/715328990.db2.gz NLNUTTUZOKUQRP-RBUKOAKNSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624096059 715471663 /nfs/dbraw/zinc/47/16/63/715471663.db2.gz SFRJGQNJUVCCFG-UHOSZYNNSA-N 1 3 351.485 3.216 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326735 715512594 /nfs/dbraw/zinc/51/25/94/715512594.db2.gz SSHLHTLAEQXLSN-GBESFXJTSA-N 1 3 351.485 3.074 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326735 715512598 /nfs/dbraw/zinc/51/25/98/715512598.db2.gz SSHLHTLAEQXLSN-GBESFXJTSA-N 1 3 351.485 3.074 20 0 FGADHO NC1(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CCOCC1 ZINC000629521455 716303036 /nfs/dbraw/zinc/30/30/36/716303036.db2.gz QQTCHVSKZFKITM-INIZCTEOSA-N 1 3 353.304 3.314 20 0 FGADHO CN(CCOCC[NH3+])Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000629667144 716332816 /nfs/dbraw/zinc/33/28/16/716332816.db2.gz UZECLXCKUSTOJP-UHFFFAOYSA-N 1 3 364.921 3.366 20 0 FGADHO FC(F)(F)Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000631075259 716560113 /nfs/dbraw/zinc/56/01/13/716560113.db2.gz OUFXVDTYKFFJNK-KRWDZBQOSA-N 1 3 356.432 3.382 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000638380512 717441549 /nfs/dbraw/zinc/44/15/49/717441549.db2.gz FNVXIHSUULEACQ-IEBWSBKVSA-N 1 3 351.485 3.218 20 0 FGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638654790 717472649 /nfs/dbraw/zinc/47/26/49/717472649.db2.gz GCEDGLSRRBWSGK-KSSFIOAISA-N 1 3 354.922 3.241 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000645118272 718184109 /nfs/dbraw/zinc/18/41/09/718184109.db2.gz NZKIAFUPVYDDGG-IRXDYDNUSA-N 1 3 364.559 3.011 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645118272 718184112 /nfs/dbraw/zinc/18/41/12/718184112.db2.gz NZKIAFUPVYDDGG-IRXDYDNUSA-N 1 3 364.559 3.011 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976293 718391189 /nfs/dbraw/zinc/39/11/89/718391189.db2.gz MOTVEDLHFCAIAU-LSDHHAIUSA-N 1 3 369.962 3.072 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976829 718391464 /nfs/dbraw/zinc/39/14/64/718391464.db2.gz URYGHSUBBTVDCM-RYQLBKOJSA-N 1 3 363.933 3.229 20 0 FGADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(C)(C)[NH3+] ZINC000648137419 718400980 /nfs/dbraw/zinc/40/09/80/718400980.db2.gz HBFPCSPTYPPKCU-UHFFFAOYSA-N 1 3 359.436 3.113 20 0 FGADHO C[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586023 718438134 /nfs/dbraw/zinc/43/81/34/718438134.db2.gz SLWPHRLVAGZVCE-QRWLVFNGSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586023 718438135 /nfs/dbraw/zinc/43/81/35/718438135.db2.gz SLWPHRLVAGZVCE-QRWLVFNGSA-N 1 3 351.485 3.169 20 0 FGADHO CO[C@H](c1ccccc1F)[C@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738034 719332420 /nfs/dbraw/zinc/33/24/20/719332420.db2.gz HJELCZGHDUXBBV-KNBMTAEXSA-N 1 3 350.478 3.135 20 0 FGADHO Cc1c(Br)cccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655799661 719341714 /nfs/dbraw/zinc/34/17/14/719341714.db2.gz LQXQUNPMCYKTME-KRWDZBQOSA-N 1 3 367.331 3.491 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@@H](C)O1 ZINC000657368515 719634475 /nfs/dbraw/zinc/63/44/75/719634475.db2.gz XZPZEVLNFCLCPI-HZPDHXFCSA-N 1 3 350.478 3.346 20 0 FGADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657594895 719680958 /nfs/dbraw/zinc/68/09/58/719680958.db2.gz KSFKJMUPDXGAKL-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657594895 719680960 /nfs/dbraw/zinc/68/09/60/719680960.db2.gz KSFKJMUPDXGAKL-GOSISDBHSA-N 1 3 360.885 3.205 20 0 FGADHO FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978938 719967396 /nfs/dbraw/zinc/96/73/96/719967396.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@@H]1OCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978938 719967397 /nfs/dbraw/zinc/96/73/97/719967397.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 1 3 350.453 3.399 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000665130233 720732884 /nfs/dbraw/zinc/73/28/84/720732884.db2.gz SWYPXKYAKDRBDC-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000665130233 720732887 /nfs/dbraw/zinc/73/28/87/720732887.db2.gz SWYPXKYAKDRBDC-ZDUSSCGKSA-N 1 3 360.424 3.099 20 0 FGADHO Brc1ccc(-c2c[nH]c(CN[C@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000666954289 721005083 /nfs/dbraw/zinc/00/50/83/721005083.db2.gz UBPDSCKXHQXLPG-HNNXBMFYSA-N 1 3 361.287 3.071 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583624 721469003 /nfs/dbraw/zinc/46/90/03/721469003.db2.gz LKESMJXGPIHAHE-ROUUACIJSA-N 1 3 366.937 3.164 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133759 721519093 /nfs/dbraw/zinc/51/90/93/721519093.db2.gz IURRZIGPFKMMQL-BZSNNMDCSA-N 1 3 366.937 3.115 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670136240 721519353 /nfs/dbraw/zinc/51/93/53/721519353.db2.gz SHTMOXTVEJRQJJ-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876420 721777202 /nfs/dbraw/zinc/77/72/02/721777202.db2.gz WRDXJSAQYHBQAR-STQMWFEESA-N 1 3 372.376 3.330 20 0 FGADHO c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001164938204 721914195 /nfs/dbraw/zinc/91/41/95/721914195.db2.gz YOPIGFAXZWKIOE-CALCHBBNSA-N 1 3 351.479 3.182 20 0 FGADHO CN(Cc1ccc(C(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457131 722385875 /nfs/dbraw/zinc/38/58/75/722385875.db2.gz FCZPPTUMCREQQM-AWEZNQCLSA-N 1 3 361.477 3.367 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789137 722409806 /nfs/dbraw/zinc/40/98/06/722409806.db2.gz SZKMREOUBPMTTN-RCCFBDPRSA-N 1 3 353.551 3.486 20 0 FGADHO CC[NH+](CC)Cc1cc([C@@H](C)NC2COC(C)(C)OC2)ccc1OC ZINC000757706721 722978737 /nfs/dbraw/zinc/97/87/37/722978737.db2.gz YMOFTAMBXUVLRU-OAHLLOKOSA-N 1 3 350.503 3.339 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760905348 723103461 /nfs/dbraw/zinc/10/34/61/723103461.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760905348 723103465 /nfs/dbraw/zinc/10/34/65/723103465.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764469282 723416081 /nfs/dbraw/zinc/41/60/81/723416081.db2.gz OFFNEQUQIJXHFM-QAPCUYQASA-N 1 3 369.525 3.459 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764469282 723416083 /nfs/dbraw/zinc/41/60/83/723416083.db2.gz OFFNEQUQIJXHFM-QAPCUYQASA-N 1 3 369.525 3.459 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766271355 723565486 /nfs/dbraw/zinc/56/54/86/723565486.db2.gz UGDLQZNTEKJVBH-KGLIPLIRSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CCC[C@@H]1C ZINC000766271355 723565489 /nfs/dbraw/zinc/56/54/89/723565489.db2.gz UGDLQZNTEKJVBH-KGLIPLIRSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766274866 723565705 /nfs/dbraw/zinc/56/57/05/723565705.db2.gz WMUFKLYKBFFCBH-ZIAGYGMSSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766274866 723565706 /nfs/dbraw/zinc/56/57/06/723565706.db2.gz WMUFKLYKBFFCBH-ZIAGYGMSSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000798187886 723912005 /nfs/dbraw/zinc/91/20/05/723912005.db2.gz VFDJZKMTQRRMMW-NJINODPHSA-N 1 3 351.535 3.285 20 0 FGADHO CC(C)(C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000788786764 725088010 /nfs/dbraw/zinc/08/80/10/725088010.db2.gz YJOOHAAVJITWJC-UHFFFAOYSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)C[C@@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811474531 725368071 /nfs/dbraw/zinc/36/80/71/725368071.db2.gz KSWLQIUPVTVAGB-SFHVURJKSA-N 1 3 353.551 3.390 20 0 FGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984963 727290781 /nfs/dbraw/zinc/29/07/81/727290781.db2.gz CZGWREFSBOZEET-BRWVUGGUSA-N 1 3 351.535 3.429 20 0 FGADHO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984963 727290783 /nfs/dbraw/zinc/29/07/83/727290783.db2.gz CZGWREFSBOZEET-BRWVUGGUSA-N 1 3 351.535 3.429 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133366 727350676 /nfs/dbraw/zinc/35/06/76/727350676.db2.gz OWTYGIPPRQHRKG-BFHYXJOUSA-N 1 3 361.313 3.196 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000819277677 727363611 /nfs/dbraw/zinc/36/36/11/727363611.db2.gz FWOOTRUNIHTOAW-KVULBXGLSA-N 1 3 371.294 3.228 20 0 FGADHO CC1CCN([C@H](CNC(=O)c2cccc(C[NH3+])c2)c2cccs2)CC1 ZINC000825769603 729394821 /nfs/dbraw/zinc/39/48/21/729394821.db2.gz BMWSAUOVFHUVJD-GOSISDBHSA-N 1 3 357.523 3.410 20 0 FGADHO CC[N@H+](CCC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844315008 730701988 /nfs/dbraw/zinc/70/19/88/730701988.db2.gz FTLHKPFLJORTPO-LJQANCHMSA-N 1 3 351.535 3.050 20 0 FGADHO CC[N@@H+](CCC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844315008 730701993 /nfs/dbraw/zinc/70/19/93/730701993.db2.gz FTLHKPFLJORTPO-LJQANCHMSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707280 /nfs/dbraw/zinc/70/72/80/730707280.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 1 3 351.535 3.098 20 0 FGADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707282 /nfs/dbraw/zinc/70/72/82/730707282.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)(C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000845963143 730912952 /nfs/dbraw/zinc/91/29/52/730912952.db2.gz LLZTYRISNUXIJI-UHFFFAOYSA-N 1 3 353.551 3.391 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095535 731228789 /nfs/dbraw/zinc/22/87/89/731228789.db2.gz BITSRMWYTKCOSG-PQUAAJSLSA-N 1 3 352.885 3.265 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508762 731366407 /nfs/dbraw/zinc/36/64/07/731366407.db2.gz OATWJNNVTOKXMM-FUHWJXTLSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508762 731366413 /nfs/dbraw/zinc/36/64/13/731366413.db2.gz OATWJNNVTOKXMM-FUHWJXTLSA-N 1 3 357.885 3.079 20 0 FGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)ccn1 ZINC000850516653 731367429 /nfs/dbraw/zinc/36/74/29/731367429.db2.gz IHXJMHZRGGTOBB-CEXWTWQISA-N 1 3 363.596 3.263 20 0 FGADHO C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000850535517 731370345 /nfs/dbraw/zinc/37/03/45/731370345.db2.gz YYEYDBPQQOAQID-QGTPRVQTSA-N 1 3 354.441 3.092 20 0 FGADHO C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853241932 731686540 /nfs/dbraw/zinc/68/65/40/731686540.db2.gz YVUSKFQFSIPZLU-JFIYKMOQSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436134 733200814 /nfs/dbraw/zinc/20/08/14/733200814.db2.gz UWKPLGWFYVZQEK-KGLIPLIRSA-N 1 3 367.456 3.152 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436134 733200816 /nfs/dbraw/zinc/20/08/16/733200816.db2.gz UWKPLGWFYVZQEK-KGLIPLIRSA-N 1 3 367.456 3.152 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1CN1CCCCC1 ZINC000866442216 733350278 /nfs/dbraw/zinc/35/02/78/733350278.db2.gz HCTWTUJHXLAWIV-WMLDXEAASA-N 1 3 356.457 3.348 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892613143 740023190 /nfs/dbraw/zinc/02/31/90/740023190.db2.gz QMOMMFNGXSTGQG-RBUKOAKNSA-N 1 3 350.478 3.252 20 0 FGADHO COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OCCC(C)C ZINC000903955520 743904663 /nfs/dbraw/zinc/90/46/63/743904663.db2.gz UHDRLLCIQMAMLR-INIZCTEOSA-N 1 3 356.457 3.455 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391708 758911596 /nfs/dbraw/zinc/91/15/96/758911596.db2.gz GKSNOFGDSQRPMC-PDOICOKGSA-N 1 3 365.587 3.400 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391708 758911599 /nfs/dbraw/zinc/91/15/99/758911599.db2.gz GKSNOFGDSQRPMC-PDOICOKGSA-N 1 3 365.587 3.400 20 0 FGADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1F ZINC000925217328 759463654 /nfs/dbraw/zinc/46/36/54/759463654.db2.gz XYQWNHXBDNITHW-HQSKLWIPSA-N 1 3 350.478 3.215 20 0 FGADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1F ZINC000925217328 759463660 /nfs/dbraw/zinc/46/36/60/759463660.db2.gz XYQWNHXBDNITHW-HQSKLWIPSA-N 1 3 350.478 3.215 20 0 FGADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)C1(Br)CC1 ZINC000925222778 759463812 /nfs/dbraw/zinc/46/38/12/759463812.db2.gz SVHPQHVRYPDVER-AWEZNQCLSA-N 1 3 367.331 3.049 20 0 FGADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(Br)CC1 ZINC000925222778 759463813 /nfs/dbraw/zinc/46/38/13/759463813.db2.gz SVHPQHVRYPDVER-AWEZNQCLSA-N 1 3 367.331 3.049 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925777855 759535997 /nfs/dbraw/zinc/53/59/97/759535997.db2.gz QZKJAGRXZZHMEA-KBRIMQKVSA-N 1 3 352.425 3.003 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747080 760448191 /nfs/dbraw/zinc/44/81/91/760448191.db2.gz ARNVTGDUQOHYQY-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747080 760448198 /nfs/dbraw/zinc/44/81/98/760448198.db2.gz ARNVTGDUQOHYQY-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747080 760448201 /nfs/dbraw/zinc/44/82/01/760448201.db2.gz ARNVTGDUQOHYQY-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000931701003 760934676 /nfs/dbraw/zinc/93/46/76/760934676.db2.gz UWEUUSAWCNCBEQ-DLBZAZTESA-N 1 3 351.535 3.240 20 0 FGADHO CN(C)CC(C)(C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000102419015 257350318 /nfs/dbraw/zinc/35/03/18/257350318.db2.gz FWSZLMWEADFUMH-UHFFFAOYSA-N 1 3 353.304 3.402 20 0 FGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000573647699 505585884 /nfs/dbraw/zinc/58/58/84/505585884.db2.gz RDIKGIBOFOLBGA-QMJOVRGKSA-N 1 3 368.468 3.374 20 0 FGADHO CSC1(CNCc2cn(C)nc2C2CCCCC2)CC[NH+](C)CC1 ZINC000568010760 505595844 /nfs/dbraw/zinc/59/58/44/505595844.db2.gz RILXADQUMVHVOD-UHFFFAOYSA-N 1 3 350.576 3.385 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200868 505642484 /nfs/dbraw/zinc/64/24/84/505642484.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200868 505642490 /nfs/dbraw/zinc/64/24/90/505642490.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1)CC1CC1 ZINC000577025517 505647288 /nfs/dbraw/zinc/64/72/88/505647288.db2.gz GBGXNUBVIZYLTI-UHFFFAOYSA-N 1 3 361.530 3.146 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1)CC1CC1 ZINC000577025517 505647291 /nfs/dbraw/zinc/64/72/91/505647291.db2.gz GBGXNUBVIZYLTI-UHFFFAOYSA-N 1 3 361.530 3.146 20 0 FGADHO C[C@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952997 505652137 /nfs/dbraw/zinc/65/21/37/505652137.db2.gz YTEHXAMIGVMPRK-RHSMWYFYSA-N 1 3 371.447 3.128 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000568307464 505663072 /nfs/dbraw/zinc/66/30/72/505663072.db2.gz WRQVXQCHQQJLSN-MJGOQNOKSA-N 1 3 362.514 3.006 20 0 FGADHO COC(=O)c1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109784 493823776 /nfs/dbraw/zinc/82/37/76/493823776.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 1 3 352.478 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109784 493823777 /nfs/dbraw/zinc/82/37/77/493823777.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 1 3 352.478 3.427 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000048395058 493825487 /nfs/dbraw/zinc/82/54/87/493825487.db2.gz HZKKDPMXMUPHCO-SFHVURJKSA-N 1 3 364.559 3.057 20 0 FGADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568408492 505687446 /nfs/dbraw/zinc/68/74/46/505687446.db2.gz OFNBUYQIZQTUCO-UHFFFAOYSA-N 1 3 371.500 3.134 20 0 FGADHO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000050800525 493935137 /nfs/dbraw/zinc/93/51/37/493935137.db2.gz ZAXFMXCSOSKSFD-OXQOHEQNSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000061501588 493981042 /nfs/dbraw/zinc/98/10/42/493981042.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 1 3 374.573 3.176 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000061501588 493981045 /nfs/dbraw/zinc/98/10/45/493981045.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 1 3 374.573 3.176 20 0 FGADHO CC1CCN(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000061550869 493982667 /nfs/dbraw/zinc/98/26/67/493982667.db2.gz GUMXLLZYJIOGPZ-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000052208464 494011303 /nfs/dbraw/zinc/01/13/03/494011303.db2.gz CRXNNHCSMSYCDX-LJQANCHMSA-N 1 3 352.494 3.009 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000052208464 494011305 /nfs/dbraw/zinc/01/13/05/494011305.db2.gz CRXNNHCSMSYCDX-LJQANCHMSA-N 1 3 352.494 3.009 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[N@@H+](CC(C)C)C(C)C)CC1 ZINC000052589443 494043397 /nfs/dbraw/zinc/04/33/97/494043397.db2.gz UPPPJRFINIYYPI-UHFFFAOYSA-N 1 3 359.558 3.442 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[N@H+](CC(C)C)C(C)C)CC1 ZINC000052589443 494043401 /nfs/dbraw/zinc/04/34/01/494043401.db2.gz UPPPJRFINIYYPI-UHFFFAOYSA-N 1 3 359.558 3.442 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063665411 494075562 /nfs/dbraw/zinc/07/55/62/494075562.db2.gz KIKNGEARDVMJNX-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063665411 494075565 /nfs/dbraw/zinc/07/55/65/494075565.db2.gz KIKNGEARDVMJNX-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000063781700 494088130 /nfs/dbraw/zinc/08/81/30/494088130.db2.gz NETNWDKDEOYQOH-LJQANCHMSA-N 1 3 357.542 3.137 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000065469720 494201413 /nfs/dbraw/zinc/20/14/13/494201413.db2.gz DDBBBGGTGGDOMZ-NRFANRHFSA-N 1 3 374.573 3.409 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065480346 494202562 /nfs/dbraw/zinc/20/25/62/494202562.db2.gz BGZRWGGHOLAWBJ-IBGZPJMESA-N 1 3 374.573 3.446 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065480346 494202566 /nfs/dbraw/zinc/20/25/66/494202566.db2.gz BGZRWGGHOLAWBJ-IBGZPJMESA-N 1 3 374.573 3.446 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000568495061 505708837 /nfs/dbraw/zinc/70/88/37/505708837.db2.gz RHDKHRUXHQWCRA-BBTUJRGHSA-N 1 3 357.542 3.331 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000078559860 494320264 /nfs/dbraw/zinc/32/02/64/494320264.db2.gz VYBHFLTYMWVSKB-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121449 494406439 /nfs/dbraw/zinc/40/64/39/494406439.db2.gz JOPNZJAEQDGUAO-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121449 494406443 /nfs/dbraw/zinc/40/64/43/494406443.db2.gz JOPNZJAEQDGUAO-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523142 494478451 /nfs/dbraw/zinc/47/84/51/494478451.db2.gz PYJVVCBKOYFVOK-AHRSYUTCSA-N 1 3 374.525 3.266 20 0 FGADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090522723 494478647 /nfs/dbraw/zinc/47/86/47/494478647.db2.gz NHQUTAGPMZUQAA-XKQJLSEDSA-N 1 3 351.560 3.432 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(OCCN(C)C)c1 ZINC000090541740 494480196 /nfs/dbraw/zinc/48/01/96/494480196.db2.gz VPPQILBPVBFLST-YVWKXTFCSA-N 1 3 364.555 3.332 20 0 FGADHO CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090846160 494500439 /nfs/dbraw/zinc/50/04/39/494500439.db2.gz HLELNLWDSBCIJE-INIZCTEOSA-N 1 3 358.530 3.336 20 0 FGADHO C[NH+](C)CCOc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937391 494504842 /nfs/dbraw/zinc/50/48/42/494504842.db2.gz ZEPLAYKXGWBZIK-FPOVZHCZSA-N 1 3 369.509 3.280 20 0 FGADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000090937084 494505048 /nfs/dbraw/zinc/50/50/48/494505048.db2.gz DRMNLXWXXDTTMO-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000056523138 494519638 /nfs/dbraw/zinc/51/96/38/494519638.db2.gz LLPJPYCJTCCADJ-OAQYLSRUSA-N 1 3 356.510 3.243 20 0 FGADHO CCN1CCN(c2ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000074337568 494521483 /nfs/dbraw/zinc/52/14/83/494521483.db2.gz NYVCEPMWYPSFMT-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000107832861 494608344 /nfs/dbraw/zinc/60/83/44/494608344.db2.gz WFRIOZHCSZQRLL-NRFANRHFSA-N 1 3 374.573 3.270 20 0 FGADHO Cc1ccc(F)c(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426267 494623350 /nfs/dbraw/zinc/62/33/50/494623350.db2.gz DCPIMMCUUUYLOU-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000121372093 494725154 /nfs/dbraw/zinc/72/51/54/494725154.db2.gz AIWLPQMSEYHIHU-RBUKOAKNSA-N 1 3 374.573 3.393 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000121372093 494725165 /nfs/dbraw/zinc/72/51/65/494725165.db2.gz AIWLPQMSEYHIHU-RBUKOAKNSA-N 1 3 374.573 3.393 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000108561914 494740225 /nfs/dbraw/zinc/74/02/25/494740225.db2.gz MPQQLANEMOYYSJ-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561914 494740232 /nfs/dbraw/zinc/74/02/32/494740232.db2.gz MPQQLANEMOYYSJ-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000093066169 494822096 /nfs/dbraw/zinc/82/20/96/494822096.db2.gz OTHDLQULVMTEPV-HDICACEKSA-N 1 3 356.514 3.066 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000093066171 494822593 /nfs/dbraw/zinc/82/25/93/494822593.db2.gz OTHDLQULVMTEPV-QZTJIDSGSA-N 1 3 356.514 3.066 20 0 FGADHO C[C@@H](CCC(C)(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132138862 494826705 /nfs/dbraw/zinc/82/67/05/494826705.db2.gz BSGARBDICHRBBN-INIZCTEOSA-N 1 3 352.567 3.059 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000577529617 505746089 /nfs/dbraw/zinc/74/60/89/505746089.db2.gz VVKKRZINDWQVQI-NYVOZVTQSA-N 1 3 365.521 3.316 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000577529617 505746091 /nfs/dbraw/zinc/74/60/91/505746091.db2.gz VVKKRZINDWQVQI-NYVOZVTQSA-N 1 3 365.521 3.316 20 0 FGADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574322676 505746731 /nfs/dbraw/zinc/74/67/31/505746731.db2.gz RWUHSJJJQFYMHF-SFHVURJKSA-N 1 3 356.489 3.450 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121869659 494878490 /nfs/dbraw/zinc/87/84/90/494878490.db2.gz WWZWJLJASNAEMC-OAQYLSRUSA-N 1 3 357.542 3.005 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534540 494888984 /nfs/dbraw/zinc/88/89/84/494888984.db2.gz YZXUAYXEENPIAB-YOEHRIQHSA-N 1 3 370.463 3.093 20 0 FGADHO CCO[C@H]1C[C@H](O)C12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613966 494905586 /nfs/dbraw/zinc/90/55/86/494905586.db2.gz PLUMCOVXMLDYQU-SFTDATJTSA-N 1 3 374.569 3.397 20 0 FGADHO CCO[C@H]1C[C@H](O)C12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613966 494905587 /nfs/dbraw/zinc/90/55/87/494905587.db2.gz PLUMCOVXMLDYQU-SFTDATJTSA-N 1 3 374.569 3.397 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927503 /nfs/dbraw/zinc/92/75/03/494927503.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 1 3 357.542 3.473 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927507 /nfs/dbraw/zinc/92/75/07/494927507.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 1 3 357.542 3.473 20 0 FGADHO CC(C)[C@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950359 494947650 /nfs/dbraw/zinc/94/76/50/494947650.db2.gz OPPXJNJDTIPCMB-HOCLYGCPSA-N 1 3 352.910 3.162 20 0 FGADHO CCCCNc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127463914 494948575 /nfs/dbraw/zinc/94/85/75/494948575.db2.gz JKSJGKHLVHCLFZ-UHFFFAOYSA-N 1 3 372.557 3.187 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096092 /nfs/dbraw/zinc/09/60/92/495096092.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 1 3 373.585 3.378 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125072 /nfs/dbraw/zinc/12/50/72/495125072.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125074 /nfs/dbraw/zinc/12/50/74/495125074.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125078 /nfs/dbraw/zinc/12/50/78/495125078.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125081 /nfs/dbraw/zinc/12/50/81/495125081.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO [NH3+][C@H](CC(=O)NCC1CCN(Cc2ccccc2F)CC1)c1ccccc1 ZINC000119661370 495212370 /nfs/dbraw/zinc/21/23/70/495212370.db2.gz ZZKKBPORVUHUNX-OAQYLSRUSA-N 1 3 369.484 3.244 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000103555105 495246893 /nfs/dbraw/zinc/24/68/93/495246893.db2.gz OIEVQJDRGMXOLH-QGZVFWFLSA-N 1 3 355.320 3.146 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129489900 495252862 /nfs/dbraw/zinc/25/28/62/495252862.db2.gz SNHBEYOHMOLPNA-UWJYYQICSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129489900 495252867 /nfs/dbraw/zinc/25/28/67/495252867.db2.gz SNHBEYOHMOLPNA-UWJYYQICSA-N 1 3 351.494 3.235 20 0 FGADHO COC[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265850 /nfs/dbraw/zinc/26/58/50/495265850.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265855 /nfs/dbraw/zinc/26/58/55/495265855.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265859 /nfs/dbraw/zinc/26/58/59/495265859.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265861 /nfs/dbraw/zinc/26/58/61/495265861.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 1 3 360.542 3.403 20 0 FGADHO CN(CCC[NH+]1CCCC1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000120077625 495302116 /nfs/dbraw/zinc/30/21/16/495302116.db2.gz UVSIORYPPLBOCS-UHFFFAOYSA-N 1 3 353.514 3.016 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000125187769 495403596 /nfs/dbraw/zinc/40/35/96/495403596.db2.gz XCPMTJZSQZAQBE-GUDVDZBRSA-N 1 3 361.574 3.268 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000137672079 495448628 /nfs/dbraw/zinc/44/86/28/495448628.db2.gz IZFQBIYHAONZFN-DQVLVPHSSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C(C)C)CC1 ZINC000140588363 495497851 /nfs/dbraw/zinc/49/78/51/495497851.db2.gz BISZOFXGQYYJPP-NRFANRHFSA-N 1 3 357.542 3.196 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131293102 495517951 /nfs/dbraw/zinc/51/79/51/495517951.db2.gz CLUOVXUXRHWVSX-LSDHHAIUSA-N 1 3 358.523 3.390 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000131292667 495518089 /nfs/dbraw/zinc/51/80/89/495518089.db2.gz CLUOVXUXRHWVSX-GJZGRUSLSA-N 1 3 358.523 3.390 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000107326791 495525251 /nfs/dbraw/zinc/52/52/51/495525251.db2.gz BVZSEWZHOAPHGR-HXUWFJFHSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374067 495537165 /nfs/dbraw/zinc/53/71/65/495537165.db2.gz MHUNPQIFYCLXTF-YLJYHZDGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374067 495537170 /nfs/dbraw/zinc/53/71/70/495537170.db2.gz MHUNPQIFYCLXTF-YLJYHZDGSA-N 1 3 372.557 3.200 20 0 FGADHO CN(C[C@H](O)CCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182426329 495560227 /nfs/dbraw/zinc/56/02/27/495560227.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 1 3 352.522 3.434 20 0 FGADHO CN(C[C@H](O)CCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182426329 495560232 /nfs/dbraw/zinc/56/02/32/495560232.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 1 3 352.522 3.434 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438482 495563817 /nfs/dbraw/zinc/56/38/17/495563817.db2.gz QYYZEJZEBNQVJH-KRWDZBQOSA-N 1 3 354.922 3.194 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438482 495563825 /nfs/dbraw/zinc/56/38/25/495563825.db2.gz QYYZEJZEBNQVJH-KRWDZBQOSA-N 1 3 354.922 3.194 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574984 /nfs/dbraw/zinc/57/49/84/495574984.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 1 3 374.573 3.411 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574988 /nfs/dbraw/zinc/57/49/88/495574988.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000185438056 495577368 /nfs/dbraw/zinc/57/73/68/495577368.db2.gz GNLFJJZGZUPSDD-MRXNPFEDSA-N 1 3 357.498 3.489 20 0 FGADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000154380921 495598650 /nfs/dbraw/zinc/59/86/50/495598650.db2.gz RSWMDZVOUISXQS-HXUWFJFHSA-N 1 3 359.514 3.110 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510349 495605222 /nfs/dbraw/zinc/60/52/22/495605222.db2.gz WOGPOYHCHKLVOF-ABHNRTSZSA-N 1 3 361.496 3.457 20 0 FGADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510349 495605226 /nfs/dbraw/zinc/60/52/26/495605226.db2.gz WOGPOYHCHKLVOF-ABHNRTSZSA-N 1 3 361.496 3.457 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000150175919 495607489 /nfs/dbraw/zinc/60/74/89/495607489.db2.gz SCODUEDVHVPFSO-HXUWFJFHSA-N 1 3 360.546 3.021 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154442245 495617355 /nfs/dbraw/zinc/61/73/55/495617355.db2.gz JTRMYZTYNVVWKL-SFHVURJKSA-N 1 3 371.447 3.190 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000580602550 505794182 /nfs/dbraw/zinc/79/41/82/505794182.db2.gz JYPNHYJLZHBADH-AJSBUHFISA-N 1 3 352.522 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602550 505794186 /nfs/dbraw/zinc/79/41/86/505794186.db2.gz JYPNHYJLZHBADH-AJSBUHFISA-N 1 3 352.522 3.399 20 0 FGADHO CCOC(=O)CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000159105872 495660614 /nfs/dbraw/zinc/66/06/14/495660614.db2.gz CNXHHLJGEMONCF-UHFFFAOYSA-N 1 3 374.525 3.326 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000171056932 495705292 /nfs/dbraw/zinc/70/52/92/495705292.db2.gz GNFPLPWANKVZOG-RTWAWAEBSA-N 1 3 370.541 3.012 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000151003616 495709066 /nfs/dbraw/zinc/70/90/66/495709066.db2.gz GBGOURIPATZNGG-GOSISDBHSA-N 1 3 352.526 3.425 20 0 FGADHO C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751380 495709644 /nfs/dbraw/zinc/70/96/44/495709644.db2.gz PWGWUPIOVBYTFS-SCTDSRPQSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751380 495709648 /nfs/dbraw/zinc/70/96/48/495709648.db2.gz PWGWUPIOVBYTFS-SCTDSRPQSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000185751380 495709652 /nfs/dbraw/zinc/70/96/52/495709652.db2.gz PWGWUPIOVBYTFS-SCTDSRPQSA-N 1 3 371.525 3.150 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009429 495709827 /nfs/dbraw/zinc/70/98/27/495709827.db2.gz NZVOHIGIAFCWNS-VNHYZAJKSA-N 1 3 360.420 3.455 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834566 495712787 /nfs/dbraw/zinc/71/27/87/495712787.db2.gz ZZJZIQLQOBSBGT-IBGZPJMESA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834566 495712791 /nfs/dbraw/zinc/71/27/91/495712791.db2.gz ZZJZIQLQOBSBGT-IBGZPJMESA-N 1 3 371.529 3.058 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759366 /nfs/dbraw/zinc/75/93/66/495759366.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 1 3 360.542 3.248 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759373 /nfs/dbraw/zinc/75/93/73/495759373.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 1 3 360.542 3.248 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000577846771 505803493 /nfs/dbraw/zinc/80/34/93/505803493.db2.gz ZIBWPFOJGITETD-INMHGKMJSA-N 1 3 351.560 3.271 20 0 FGADHO C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151476443 495852030 /nfs/dbraw/zinc/85/20/30/495852030.db2.gz NDFYHQFLEPWPOD-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1CCCCCC1 ZINC000180421016 495990138 /nfs/dbraw/zinc/99/01/38/495990138.db2.gz QSPRTAOFCMYQIU-SFHVURJKSA-N 1 3 372.557 3.420 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000155581254 496001866 /nfs/dbraw/zinc/00/18/66/496001866.db2.gz CLVOWCZRANWIAB-HOTGVXAUSA-N 1 3 355.473 3.273 20 0 FGADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000183483219 496004688 /nfs/dbraw/zinc/00/46/88/496004688.db2.gz MXRDCRYYBARXLM-INIZCTEOSA-N 1 3 358.530 3.261 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022517 496025132 /nfs/dbraw/zinc/02/51/32/496025132.db2.gz UYLVNXBWKHSJKS-IYBDPMFKSA-N 1 3 352.469 3.329 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022517 496025136 /nfs/dbraw/zinc/02/51/36/496025136.db2.gz UYLVNXBWKHSJKS-IYBDPMFKSA-N 1 3 352.469 3.329 20 0 FGADHO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000177353416 496029145 /nfs/dbraw/zinc/02/91/45/496029145.db2.gz XYFNTJATWJXLPE-SFHVURJKSA-N 1 3 353.510 3.089 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000155697533 496039471 /nfs/dbraw/zinc/03/94/71/496039471.db2.gz MEFGJNAADCUKAN-JKSUJKDBSA-N 1 3 351.560 3.094 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155745004 496055657 /nfs/dbraw/zinc/05/56/57/496055657.db2.gz WJGFHQOCYRCFIU-LSDHHAIUSA-N 1 3 359.436 3.262 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177484531 496080983 /nfs/dbraw/zinc/08/09/83/496080983.db2.gz HODXWCPDTWYFAU-HOTGVXAUSA-N 1 3 366.468 3.167 20 0 FGADHO Cc1nc(C)c(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490776 496083344 /nfs/dbraw/zinc/08/33/44/496083344.db2.gz OYWUUPYWJOUEDG-GJZGRUSLSA-N 1 3 351.560 3.471 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152365723 496128325 /nfs/dbraw/zinc/12/83/25/496128325.db2.gz VXUSMXZXWAEDBQ-NVXWUHKLSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152365723 496128329 /nfs/dbraw/zinc/12/83/29/496128329.db2.gz VXUSMXZXWAEDBQ-NVXWUHKLSA-N 1 3 363.933 3.151 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000156026342 496136912 /nfs/dbraw/zinc/13/69/12/496136912.db2.gz MGWLEOZJZLXQEF-UHFFFAOYSA-N 1 3 371.550 3.452 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878717 496235394 /nfs/dbraw/zinc/23/53/94/496235394.db2.gz LTDOROZUKUZTET-OALUTQOASA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878717 496235403 /nfs/dbraw/zinc/23/54/03/496235403.db2.gz LTDOROZUKUZTET-OALUTQOASA-N 1 3 372.557 3.195 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000175216533 496295397 /nfs/dbraw/zinc/29/53/97/496295397.db2.gz HKIQASVXCZZWLW-UHFFFAOYSA-N 1 3 365.477 3.486 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)CCCO2 ZINC000178034100 496296342 /nfs/dbraw/zinc/29/63/42/496296342.db2.gz ARXQLAJSRRDHOK-MBOZVWFJSA-N 1 3 362.514 3.388 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034908 496297662 /nfs/dbraw/zinc/29/76/62/496297662.db2.gz QBSRLDBTBSABAD-XWSHUIEDSA-N 1 3 359.558 3.128 20 0 FGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000187148349 496314288 /nfs/dbraw/zinc/31/42/88/496314288.db2.gz OQAWHALFVLFBRH-JOCHJYFZSA-N 1 3 367.537 3.335 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000156849309 496347784 /nfs/dbraw/zinc/34/77/84/496347784.db2.gz UZNIANJRZBINJG-RBBKRZOGSA-N 1 3 357.542 3.266 20 0 FGADHO C[C@@H]([NH3+])c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000178200319 496367402 /nfs/dbraw/zinc/36/74/02/496367402.db2.gz BDNAZHLJYWMLCJ-GOSISDBHSA-N 1 3 366.509 3.247 20 0 FGADHO C[C@H](NCc1ccc2c(c1)OCCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000178209345 496371146 /nfs/dbraw/zinc/37/11/46/496371146.db2.gz GBMLZBKRHWPFLC-INIZCTEOSA-N 1 3 356.466 3.249 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000157096030 496404898 /nfs/dbraw/zinc/40/48/98/496404898.db2.gz FKZXHXGLOMWFIP-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000157096030 496404901 /nfs/dbraw/zinc/40/49/01/496404901.db2.gz FKZXHXGLOMWFIP-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184508876 496417359 /nfs/dbraw/zinc/41/73/59/496417359.db2.gz FLCIECBTSZTYKH-GJZGRUSLSA-N 1 3 352.910 3.306 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000184508876 496417363 /nfs/dbraw/zinc/41/73/63/496417363.db2.gz FLCIECBTSZTYKH-GJZGRUSLSA-N 1 3 352.910 3.306 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000157261630 496440667 /nfs/dbraw/zinc/44/06/67/496440667.db2.gz DPWAURXDFKGFAI-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000157261630 496440669 /nfs/dbraw/zinc/44/06/69/496440669.db2.gz DPWAURXDFKGFAI-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC[C@H]2CCC[N@@H+]2C)CC1 ZINC000181644057 496483964 /nfs/dbraw/zinc/48/39/64/496483964.db2.gz FSZPLQTXARXGGT-IEBWSBKVSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC[C@H]2CCC[N@H+]2C)CC1 ZINC000181644057 496483968 /nfs/dbraw/zinc/48/39/68/496483968.db2.gz FSZPLQTXARXGGT-IEBWSBKVSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282278 496492822 /nfs/dbraw/zinc/49/28/22/496492822.db2.gz OKLGWEJNJRVBAI-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282278 496492825 /nfs/dbraw/zinc/49/28/25/496492825.db2.gz OKLGWEJNJRVBAI-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282278 496492829 /nfs/dbraw/zinc/49/28/29/496492829.db2.gz OKLGWEJNJRVBAI-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)COc1ccccc1 ZINC000184743703 496515802 /nfs/dbraw/zinc/51/58/02/496515802.db2.gz VSWJQGFSIJAXTN-SBHAEUEKSA-N 1 3 368.521 3.173 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770657 496565205 /nfs/dbraw/zinc/56/52/05/496565205.db2.gz YLSASIPPLAKKQR-LPHOPBHVSA-N 1 3 363.571 3.238 20 0 FGADHO Cc1nccnc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000187847138 496593859 /nfs/dbraw/zinc/59/38/59/496593859.db2.gz AATCBTQHVIAVSK-SFHVURJKSA-N 1 3 353.514 3.038 20 0 FGADHO COC[C@@H]([NH2+]Cc1cccc(CN2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965505 496633946 /nfs/dbraw/zinc/63/39/46/496633946.db2.gz OURMVZUYGIHXMV-JOCHJYFZSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965505 496633953 /nfs/dbraw/zinc/63/39/53/496633953.db2.gz OURMVZUYGIHXMV-JOCHJYFZSA-N 1 3 360.542 3.450 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176029183 496649962 /nfs/dbraw/zinc/64/99/62/496649962.db2.gz RHVAPNDDFPWJFF-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](N)CCSC)ccc21 ZINC000166167480 496678115 /nfs/dbraw/zinc/67/81/15/496678115.db2.gz XHMQMDQRGOEVSW-QGZVFWFLSA-N 1 3 362.543 3.002 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000173415052 496682797 /nfs/dbraw/zinc/68/27/97/496682797.db2.gz YMWQKXTWOBPHPP-DLBZAZTESA-N 1 3 364.559 3.011 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546498 496702628 /nfs/dbraw/zinc/70/26/28/496702628.db2.gz BQUKQVOTBIUDBL-DBXWQHBBSA-N 1 3 357.542 3.182 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284826 496725802 /nfs/dbraw/zinc/72/58/02/496725802.db2.gz LNVFIKNLDIJZCF-UFYCRDLUSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000273270751 496759717 /nfs/dbraw/zinc/75/97/17/496759717.db2.gz HNYNNWNLAXTBFY-UHFFFAOYSA-N 1 3 359.558 3.084 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761644 496777128 /nfs/dbraw/zinc/77/71/28/496777128.db2.gz OEQFXZBODTVUJE-PIPMEXSNSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761644 496777135 /nfs/dbraw/zinc/77/71/35/496777135.db2.gz OEQFXZBODTVUJE-PIPMEXSNSA-N 1 3 354.494 3.371 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000247148651 496792943 /nfs/dbraw/zinc/79/29/43/496792943.db2.gz WUJUXJUFSNITIL-LNLFQRSKSA-N 1 3 362.514 3.388 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000191533630 496801230 /nfs/dbraw/zinc/80/12/30/496801230.db2.gz IXGZSPXXWJYGTR-HSZRJFAPSA-N 1 3 373.585 3.165 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000191533630 496801236 /nfs/dbraw/zinc/80/12/36/496801236.db2.gz IXGZSPXXWJYGTR-HSZRJFAPSA-N 1 3 373.585 3.165 20 0 FGADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269003487 496845506 /nfs/dbraw/zinc/84/55/06/496845506.db2.gz PWBROGLBLIUSEH-ZDUSSCGKSA-N 1 3 363.502 3.365 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCCN(C)C)cc1 ZINC000273615834 496854106 /nfs/dbraw/zinc/85/41/06/496854106.db2.gz XJSUAHXKVNSTLW-MOPGFXCFSA-N 1 3 352.544 3.011 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247473688 496867511 /nfs/dbraw/zinc/86/75/11/496867511.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247473688 496867516 /nfs/dbraw/zinc/86/75/16/496867516.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195342161 496895528 /nfs/dbraw/zinc/89/55/28/496895528.db2.gz YFZWMPDOYUAKGR-UHFFFAOYSA-N 1 3 374.529 3.154 20 0 FGADHO Cc1ccc(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341223 496895896 /nfs/dbraw/zinc/89/58/96/496895896.db2.gz VQQDFCIMUYNYQG-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCCN(C4CCCC4)CC3)ccc21 ZINC000269245203 496903725 /nfs/dbraw/zinc/90/37/25/496903725.db2.gz LZNRLIFSYIPGGE-UHFFFAOYSA-N 1 3 368.525 3.081 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058408 496948850 /nfs/dbraw/zinc/94/88/50/496948850.db2.gz ORJBFWMSXFFIND-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO COc1cccc(CCCN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000269656494 496984560 /nfs/dbraw/zinc/98/45/60/496984560.db2.gz NLPJRLIKCNYDIZ-UHFFFAOYSA-N 1 3 359.558 3.118 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391527 496991441 /nfs/dbraw/zinc/99/14/41/496991441.db2.gz CKEXFZUTTFGBBO-MDNUFGMLSA-N 1 3 366.553 3.470 20 0 FGADHO CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000248398651 496995440 /nfs/dbraw/zinc/99/54/40/496995440.db2.gz JBKLOUHWICZRSH-YTFSRNRJSA-N 1 3 369.553 3.135 20 0 FGADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447713 497015068 /nfs/dbraw/zinc/01/50/68/497015068.db2.gz NOSQITMXGSLBEC-DNVCBOLYSA-N 1 3 358.457 3.252 20 0 FGADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447713 497015071 /nfs/dbraw/zinc/01/50/71/497015071.db2.gz NOSQITMXGSLBEC-DNVCBOLYSA-N 1 3 358.457 3.252 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000274395457 497087666 /nfs/dbraw/zinc/08/76/66/497087666.db2.gz FCARUVNWEXKLQL-INIZCTEOSA-N 1 3 369.509 3.058 20 0 FGADHO OCC[C@H](NCCCCCC[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000274417383 497092903 /nfs/dbraw/zinc/09/29/03/497092903.db2.gz NKKVYVIBCKRFGB-ROUUACIJSA-N 1 3 364.486 3.159 20 0 FGADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390123 497098473 /nfs/dbraw/zinc/09/84/73/497098473.db2.gz ITUBEMIFWIHMPM-TZIWHRDSSA-N 1 3 353.510 3.004 20 0 FGADHO FC(F)C(F)(F)COCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000278551041 497151181 /nfs/dbraw/zinc/15/11/81/497151181.db2.gz VTYSFYJPMQMZKS-UHFFFAOYSA-N 1 3 362.411 3.200 20 0 FGADHO C[C@H](NCCc1cn2c(n1)SCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763066 497159746 /nfs/dbraw/zinc/15/97/46/497159746.db2.gz KQRDDBCHZZVSJI-FUHWJXTLSA-N 1 3 356.539 3.032 20 0 FGADHO C[C@H](NCCc1cn2c(n1)SCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763066 497159749 /nfs/dbraw/zinc/15/97/49/497159749.db2.gz KQRDDBCHZZVSJI-FUHWJXTLSA-N 1 3 356.539 3.032 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000236877079 497161204 /nfs/dbraw/zinc/16/12/04/497161204.db2.gz BYGPTSFLFZTTDP-JFIYKMOQSA-N 1 3 351.560 3.273 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000236886597 497163047 /nfs/dbraw/zinc/16/30/47/497163047.db2.gz DGPNMLWDGHBEDG-HXUWFJFHSA-N 1 3 355.482 3.088 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000237587658 497259608 /nfs/dbraw/zinc/25/96/08/497259608.db2.gz LSSNWVPQLIDJLZ-JRGCBEDISA-N 1 3 351.494 3.246 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)NC1CCCC1 ZINC000189951113 497304276 /nfs/dbraw/zinc/30/42/76/497304276.db2.gz NPWWMEZTFYWNIN-ROUUACIJSA-N 1 3 357.542 3.182 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317842 /nfs/dbraw/zinc/31/78/42/497317842.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000569298089 505899500 /nfs/dbraw/zinc/89/95/00/505899500.db2.gz RAIMPKQHXMERSG-ROUUACIJSA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000569298089 505899501 /nfs/dbraw/zinc/89/95/01/505899501.db2.gz RAIMPKQHXMERSG-ROUUACIJSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202675 497376612 /nfs/dbraw/zinc/37/66/12/497376612.db2.gz VMLNAAAXGKXYOH-XDNAFOTISA-N 1 3 363.571 3.338 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202675 497376615 /nfs/dbraw/zinc/37/66/15/497376615.db2.gz VMLNAAAXGKXYOH-XDNAFOTISA-N 1 3 363.571 3.338 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000245428109 497400747 /nfs/dbraw/zinc/40/07/47/497400747.db2.gz IIXLNEVKIQAZAU-NLWGTHIKSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000245428109 497400750 /nfs/dbraw/zinc/40/07/50/497400750.db2.gz IIXLNEVKIQAZAU-NLWGTHIKSA-N 1 3 360.546 3.021 20 0 FGADHO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(Cc2ccccc2)CC1 ZINC000261579760 497416205 /nfs/dbraw/zinc/41/62/05/497416205.db2.gz DWGUEVBIYXFDTL-IHWFROFDSA-N 1 3 355.526 3.030 20 0 FGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581080580 505906080 /nfs/dbraw/zinc/90/60/80/505906080.db2.gz RVCKAGONEWEZFC-UHFFFAOYSA-N 1 3 371.500 3.134 20 0 FGADHO CCOC(=O)c1csc(CCNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000190350753 497446064 /nfs/dbraw/zinc/44/60/64/497446064.db2.gz WAWAKIPVLNORCK-UHFFFAOYSA-N 1 3 373.522 3.117 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CCN(C)CC1 ZINC000271875089 497476888 /nfs/dbraw/zinc/47/68/88/497476888.db2.gz NYLYGDIWRCXBNY-CYBMUJFWSA-N 1 3 355.404 3.274 20 0 FGADHO c1ccc(Sc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123449 497512458 /nfs/dbraw/zinc/51/24/58/497512458.db2.gz MMVIJPUXDWFDGN-IBGZPJMESA-N 1 3 353.535 3.317 20 0 FGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022474 497550246 /nfs/dbraw/zinc/55/02/46/497550246.db2.gz XTSJLGMJHIWRGA-GXRSIYKFSA-N 1 3 354.538 3.488 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441533 497552642 /nfs/dbraw/zinc/55/26/42/497552642.db2.gz CJMSDOZIBBWUJZ-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441533 497552647 /nfs/dbraw/zinc/55/26/47/497552647.db2.gz CJMSDOZIBBWUJZ-TYPHKJRUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272206560 497564478 /nfs/dbraw/zinc/56/44/78/497564478.db2.gz PLQPETLNVDZCHW-FXAWDEMLSA-N 1 3 372.534 3.090 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000276453239 497578351 /nfs/dbraw/zinc/57/83/51/497578351.db2.gz LXJFZBUIBZDMHA-SFTDATJTSA-N 1 3 366.509 3.358 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262629468 497587978 /nfs/dbraw/zinc/58/79/78/497587978.db2.gz DLWSUVZNWYFIJR-MBDNFAEBSA-N 1 3 369.553 3.278 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128634 497631028 /nfs/dbraw/zinc/63/10/28/497631028.db2.gz IVMUIYNJFYANIB-CGTJXYLNSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128634 497631031 /nfs/dbraw/zinc/63/10/31/497631031.db2.gz IVMUIYNJFYANIB-CGTJXYLNSA-N 1 3 366.575 3.255 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000194469434 497677315 /nfs/dbraw/zinc/67/73/15/497677315.db2.gz HYOFNECNSGFGKW-LJQANCHMSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246347998 497703527 /nfs/dbraw/zinc/70/35/27/497703527.db2.gz JOSYUAHWYBHFJM-AQNXPRMDSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246347998 497703530 /nfs/dbraw/zinc/70/35/30/497703530.db2.gz JOSYUAHWYBHFJM-AQNXPRMDSA-N 1 3 364.578 3.157 20 0 FGADHO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272704252 497707895 /nfs/dbraw/zinc/70/78/95/497707895.db2.gz ZVHVAFRUBWKGRW-AVRDEDQJSA-N 1 3 365.521 3.437 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705722 497707985 /nfs/dbraw/zinc/70/79/85/497707985.db2.gz GMUJLTCWMLYYCA-YJBOKZPZSA-N 1 3 364.559 3.081 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705722 497707987 /nfs/dbraw/zinc/70/79/87/497707987.db2.gz GMUJLTCWMLYYCA-YJBOKZPZSA-N 1 3 364.559 3.081 20 0 FGADHO CC1(C)CN(C2(CNC(=O)C[C@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325192 497758152 /nfs/dbraw/zinc/75/81/52/497758152.db2.gz KDNJBFIREUPTQW-IBGZPJMESA-N 1 3 373.541 3.006 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750709 497759469 /nfs/dbraw/zinc/75/94/69/497759469.db2.gz URCDHHZUKIOWMI-SFTDATJTSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750709 497759472 /nfs/dbraw/zinc/75/94/72/497759472.db2.gz URCDHHZUKIOWMI-SFTDATJTSA-N 1 3 357.542 3.135 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246567061 497776453 /nfs/dbraw/zinc/77/64/53/497776453.db2.gz XNXJQTMHZPCMCP-KFKAGJAMSA-N 1 3 362.514 3.122 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246583938 497782376 /nfs/dbraw/zinc/78/23/76/497782376.db2.gz UKGPJZURCCXTCV-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246583938 497782381 /nfs/dbraw/zinc/78/23/81/497782381.db2.gz UKGPJZURCCXTCV-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296397 497885300 /nfs/dbraw/zinc/88/53/00/497885300.db2.gz BWUBIUZTEQNGLV-UNMCSNQZSA-N 1 3 361.493 3.358 20 0 FGADHO Cc1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296397 497885308 /nfs/dbraw/zinc/88/53/08/497885308.db2.gz BWUBIUZTEQNGLV-UNMCSNQZSA-N 1 3 361.493 3.358 20 0 FGADHO C[C@@H]1C[C@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069477 497911361 /nfs/dbraw/zinc/91/13/61/497911361.db2.gz SBSDXRNUXBJOFE-QUCCMNQESA-N 1 3 353.514 3.081 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000285144723 498005830 /nfs/dbraw/zinc/00/58/30/498005830.db2.gz JTAXKSBTJDJQAC-HXUWFJFHSA-N 1 3 370.497 3.181 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000572486952 505980969 /nfs/dbraw/zinc/98/09/69/505980969.db2.gz QMLJUVFSONDCEB-NQIIRXRSSA-N 1 3 357.542 3.232 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000572486952 505980971 /nfs/dbraw/zinc/98/09/71/505980971.db2.gz QMLJUVFSONDCEB-NQIIRXRSSA-N 1 3 357.542 3.232 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1cccc(OC)c1 ZINC000572492724 505981616 /nfs/dbraw/zinc/98/16/16/505981616.db2.gz QKKOACUXMWCIQM-OAQYLSRUSA-N 1 3 369.509 3.009 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652728 505989994 /nfs/dbraw/zinc/98/99/94/505989994.db2.gz VSVGIAKLTFASCA-QLFBSQMISA-N 1 3 369.431 3.354 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853525 498174587 /nfs/dbraw/zinc/17/45/87/498174587.db2.gz ZVIXKSWSHXQPNP-DJIMGWMZSA-N 1 3 351.922 3.213 20 0 FGADHO C[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285791415 498202074 /nfs/dbraw/zinc/20/20/74/498202074.db2.gz UTOISRHWWAKOFN-INIZCTEOSA-N 1 3 362.477 3.349 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789709 498293957 /nfs/dbraw/zinc/29/39/57/498293957.db2.gz NFBNFYVZZZUUGH-CEXWTWQISA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789709 498293964 /nfs/dbraw/zinc/29/39/64/498293964.db2.gz NFBNFYVZZZUUGH-CEXWTWQISA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000289789709 498293968 /nfs/dbraw/zinc/29/39/68/498293968.db2.gz NFBNFYVZZZUUGH-CEXWTWQISA-N 1 3 356.539 3.279 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000281867238 498296852 /nfs/dbraw/zinc/29/68/52/498296852.db2.gz MDAKJIORWVIRGM-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000578759145 506014645 /nfs/dbraw/zinc/01/46/45/506014645.db2.gz RPGYYXMDQCTZTP-RBBKRZOGSA-N 1 3 360.542 3.152 20 0 FGADHO CN(C)C(=O)N1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289948371 498365707 /nfs/dbraw/zinc/36/57/07/498365707.db2.gz XHZSAWJQFKWYKK-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000581597679 506024983 /nfs/dbraw/zinc/02/49/83/506024983.db2.gz NNPMWHSPQNJIJT-UHFFFAOYSA-N 1 3 372.557 3.344 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000578806400 506025281 /nfs/dbraw/zinc/02/52/81/506025281.db2.gz OPXSPOLXWYGATM-FBBABVLZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000578806400 506025286 /nfs/dbraw/zinc/02/52/86/506025286.db2.gz OPXSPOLXWYGATM-FBBABVLZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@@H]1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000297373597 498426749 /nfs/dbraw/zinc/42/67/49/498426749.db2.gz HWXOVNFMRSUBJH-XMSQKQJNSA-N 1 3 350.510 3.303 20 0 FGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000293774336 498484785 /nfs/dbraw/zinc/48/47/85/498484785.db2.gz SLXUTILJEIBMFY-HNNXBMFYSA-N 1 3 356.507 3.146 20 0 FGADHO c1ccc(COc2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)nc1 ZINC000569927748 506050234 /nfs/dbraw/zinc/05/02/34/506050234.db2.gz JJYJDLKTTCMVAK-HXUWFJFHSA-N 1 3 351.494 3.482 20 0 FGADHO C[NH+](C)CCOc1cnccc1CNCCc1ccc(F)cc1Cl ZINC000578943788 506056195 /nfs/dbraw/zinc/05/61/95/506056195.db2.gz MVYMRIMFXLMVQY-UHFFFAOYSA-N 1 3 351.853 3.147 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@H]1SC ZINC000298040219 498646358 /nfs/dbraw/zinc/64/63/58/498646358.db2.gz HGNPLIZLFDMBAU-XUVXKRRUSA-N 1 3 364.555 3.158 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298063936 498653647 /nfs/dbraw/zinc/65/36/47/498653647.db2.gz KIUREZJSWYLMJX-QGZVFWFLSA-N 1 3 360.502 3.040 20 0 FGADHO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130643 498672999 /nfs/dbraw/zinc/67/29/99/498672999.db2.gz PZNSEVRUTUIQSQ-AZUAARDMSA-N 1 3 357.542 3.075 20 0 FGADHO C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130643 498673001 /nfs/dbraw/zinc/67/30/01/498673001.db2.gz PZNSEVRUTUIQSQ-AZUAARDMSA-N 1 3 357.542 3.075 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000365858091 498674088 /nfs/dbraw/zinc/67/40/88/498674088.db2.gz BMWUXBLTDDIKSV-IBGZPJMESA-N 1 3 357.542 3.476 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365866275 498677944 /nfs/dbraw/zinc/67/79/44/498677944.db2.gz LWXYSQIWKRKCPW-HXUWFJFHSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000365866275 498677947 /nfs/dbraw/zinc/67/79/47/498677947.db2.gz LWXYSQIWKRKCPW-HXUWFJFHSA-N 1 3 365.521 3.390 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000298261650 498713708 /nfs/dbraw/zinc/71/37/08/498713708.db2.gz FPVSZQZQBNYIGK-UHFFFAOYSA-N 1 3 369.900 3.385 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977444 498718709 /nfs/dbraw/zinc/71/87/09/498718709.db2.gz HDGYQHGXAMQSSM-QHCPKHFHSA-N 1 3 371.569 3.085 20 0 FGADHO CCOc1c(Cl)cccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579041506 506080658 /nfs/dbraw/zinc/08/06/58/506080658.db2.gz NOVUTDYPTBGJQY-UHFFFAOYSA-N 1 3 353.938 3.197 20 0 FGADHO CN(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1c(F)cccc1F ZINC000298498362 498792083 /nfs/dbraw/zinc/79/20/83/498792083.db2.gz QIJAMAKHVHKEOU-LJQANCHMSA-N 1 3 360.452 3.221 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000298611488 498828314 /nfs/dbraw/zinc/82/83/14/498828314.db2.gz ZZVUOHIZDLZZIP-INIZCTEOSA-N 1 3 366.465 3.358 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000283302471 498845643 /nfs/dbraw/zinc/84/56/43/498845643.db2.gz NKKVMTLCVKFXSU-MRXNPFEDSA-N 1 3 355.473 3.355 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287828646 498877081 /nfs/dbraw/zinc/87/70/81/498877081.db2.gz VNURHSUGLZYZSX-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295020757 498881951 /nfs/dbraw/zinc/88/19/51/498881951.db2.gz NEUWJLZGPYQCFW-CCNLRDMRSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295020757 498881961 /nfs/dbraw/zinc/88/19/61/498881961.db2.gz NEUWJLZGPYQCFW-CCNLRDMRSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@@H](N(C)Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091962 498906592 /nfs/dbraw/zinc/90/65/92/498906592.db2.gz FJTFAYAOTWRWNN-LSDHHAIUSA-N 1 3 354.510 3.008 20 0 FGADHO C[C@@H](N(C)Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091962 498906597 /nfs/dbraw/zinc/90/65/97/498906597.db2.gz FJTFAYAOTWRWNN-LSDHHAIUSA-N 1 3 354.510 3.008 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCN(C2CCCC2)CC1 ZINC000363646759 498921663 /nfs/dbraw/zinc/92/16/63/498921663.db2.gz OGHIHOUXBSCHHT-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000582056894 506123191 /nfs/dbraw/zinc/12/31/91/506123191.db2.gz ZITKQWLEGHGXMM-ZFWWWQNUSA-N 1 3 368.319 3.064 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000579234925 506126232 /nfs/dbraw/zinc/12/62/32/506126232.db2.gz SDMSZENXKOWXLJ-SFHVURJKSA-N 1 3 357.542 3.079 20 0 FGADHO CN1CCC([N@@H+]2CC[C@@H](N[C@@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829940 499014875 /nfs/dbraw/zinc/01/48/75/499014875.db2.gz UOQIXXCSHCMAEE-KNQAVFIVSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@@H](N[C@@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829940 499014882 /nfs/dbraw/zinc/01/48/82/499014882.db2.gz UOQIXXCSHCMAEE-KNQAVFIVSA-N 1 3 368.500 3.068 20 0 FGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000366666191 499025231 /nfs/dbraw/zinc/02/52/31/499025231.db2.gz LNDAEKLGDUFJNB-RLLQIKCJSA-N 1 3 373.541 3.069 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280254 499081846 /nfs/dbraw/zinc/08/18/46/499081846.db2.gz XXAPKYVEQZQRMW-XZOQPEGZSA-N 1 3 371.569 3.085 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000364051641 499100752 /nfs/dbraw/zinc/10/07/52/499100752.db2.gz KUEWVQNPEOMOOQ-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071755 499143640 /nfs/dbraw/zinc/14/36/40/499143640.db2.gz CLPDRQPWJHGOLU-NFBKMPQASA-N 1 3 371.569 3.226 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071755 499143642 /nfs/dbraw/zinc/14/36/42/499143642.db2.gz CLPDRQPWJHGOLU-NFBKMPQASA-N 1 3 371.569 3.226 20 0 FGADHO COC(=O)N1CCC(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000367517558 499208262 /nfs/dbraw/zinc/20/82/62/499208262.db2.gz CBADQYUZOUYJPG-LPHOPBHVSA-N 1 3 351.535 3.098 20 0 FGADHO COC(=O)N1CCC(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000367517558 499208263 /nfs/dbraw/zinc/20/82/63/499208263.db2.gz CBADQYUZOUYJPG-LPHOPBHVSA-N 1 3 351.535 3.098 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367610072 499217664 /nfs/dbraw/zinc/21/76/64/499217664.db2.gz ZXMGIMBIDNWAHJ-PCCBWWKXSA-N 1 3 367.493 3.172 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250295 /nfs/dbraw/zinc/25/02/95/499250295.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 1 3 373.504 3.426 20 0 FGADHO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250297 /nfs/dbraw/zinc/25/02/97/499250297.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 1 3 373.504 3.426 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(Sc4ccccn4)o3)C2)CC1 ZINC000368347041 499287296 /nfs/dbraw/zinc/28/72/96/499287296.db2.gz GRESZEWGGHBTBB-MRXNPFEDSA-N 1 3 372.538 3.084 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CCN3CCC[C@H]3C1)C2 ZINC000368354033 499288272 /nfs/dbraw/zinc/28/82/72/499288272.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 1 3 363.546 3.240 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCN3CCC[C@H]3C1)C2 ZINC000368354033 499288273 /nfs/dbraw/zinc/28/82/73/499288273.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 1 3 363.546 3.240 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000368354031 499288451 /nfs/dbraw/zinc/28/84/51/499288451.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 1 3 363.546 3.240 20 0 FGADHO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000368354031 499288453 /nfs/dbraw/zinc/28/84/53/499288453.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 1 3 363.546 3.240 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230381 499300409 /nfs/dbraw/zinc/30/04/09/499300409.db2.gz LVEMRSIVDKPLSR-YJBOKZPZSA-N 1 3 355.482 3.099 20 0 FGADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)ccn1 ZINC000368520485 499304093 /nfs/dbraw/zinc/30/40/93/499304093.db2.gz VTTUCBRDMLCZLA-QUCCMNQESA-N 1 3 354.498 3.233 20 0 FGADHO C[C@H]1CN(CCOc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301597 499307148 /nfs/dbraw/zinc/30/71/48/499307148.db2.gz GIUNLJFRXJMONS-UGKGYDQZSA-N 1 3 367.537 3.176 20 0 FGADHO C[C@H]1CN(CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691919 499355799 /nfs/dbraw/zinc/35/57/99/499355799.db2.gz DTCMQTXTFMJRAK-IBGZPJMESA-N 1 3 367.537 3.319 20 0 FGADHO C[C@H]1CN(CCOc2cccc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000371691919 499355801 /nfs/dbraw/zinc/35/58/01/499355801.db2.gz DTCMQTXTFMJRAK-IBGZPJMESA-N 1 3 367.537 3.319 20 0 FGADHO C[C@H]1CN(CCOc2cccc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000371691919 499355803 /nfs/dbraw/zinc/35/58/03/499355803.db2.gz DTCMQTXTFMJRAK-IBGZPJMESA-N 1 3 367.537 3.319 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N(C)CCC[NH+]3CCCC3)CC2)c1 ZINC000369071292 499362564 /nfs/dbraw/zinc/36/25/64/499362564.db2.gz MFXOMXUJCPXBCY-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@H]21 ZINC000375854598 499562647 /nfs/dbraw/zinc/56/26/47/499562647.db2.gz UWCZDOFXVNDLDY-QHAWAJNXSA-N 1 3 364.493 3.296 20 0 FGADHO OC1(C[NH2+]CCc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 ZINC000397615182 499564715 /nfs/dbraw/zinc/56/47/15/499564715.db2.gz SZYSLJGIHRLKEB-UHFFFAOYSA-N 1 3 358.913 3.499 20 0 FGADHO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410106 499736316 /nfs/dbraw/zinc/73/63/16/499736316.db2.gz CIMHSECIHBRJES-RTWAWAEBSA-N 1 3 355.526 3.163 20 0 FGADHO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410106 499736318 /nfs/dbraw/zinc/73/63/18/499736318.db2.gz CIMHSECIHBRJES-RTWAWAEBSA-N 1 3 355.526 3.163 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199365 499768196 /nfs/dbraw/zinc/76/81/96/499768196.db2.gz WUPXERYPSHHHDV-AHRSYUTCSA-N 1 3 365.949 3.033 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199365 499768197 /nfs/dbraw/zinc/76/81/97/499768197.db2.gz WUPXERYPSHHHDV-AHRSYUTCSA-N 1 3 365.949 3.033 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414324912 499778097 /nfs/dbraw/zinc/77/80/97/499778097.db2.gz LDWVCROSEAMLMJ-HNNXBMFYSA-N 1 3 357.523 3.296 20 0 FGADHO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553134 499807738 /nfs/dbraw/zinc/80/77/38/499807738.db2.gz HXPONOWKQLMZFZ-UTKZUKDTSA-N 1 3 369.553 3.466 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714847 499822055 /nfs/dbraw/zinc/82/20/55/499822055.db2.gz VYWYIVUEWAKVJA-SFTDATJTSA-N 1 3 357.542 3.061 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714847 499822056 /nfs/dbraw/zinc/82/20/56/499822056.db2.gz VYWYIVUEWAKVJA-SFTDATJTSA-N 1 3 357.542 3.061 20 0 FGADHO COc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780313 499830503 /nfs/dbraw/zinc/83/05/03/499830503.db2.gz LIHGHHSCXSBPND-GJZGRUSLSA-N 1 3 353.304 3.279 20 0 FGADHO Cc1cc(Br)cc(CNCC[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000414828651 499835001 /nfs/dbraw/zinc/83/50/01/499835001.db2.gz JDNQCMNVOCNQTH-LLVKDONJSA-N 1 3 363.246 3.448 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414847726 499837232 /nfs/dbraw/zinc/83/72/32/499837232.db2.gz GAIPGPYSXFGCSE-MGPQQGTHSA-N 1 3 368.319 3.144 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414850898 499837904 /nfs/dbraw/zinc/83/79/04/499837904.db2.gz IREDPESJBRLSEM-MGPQQGTHSA-N 1 3 373.419 3.280 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412329499 499845248 /nfs/dbraw/zinc/84/52/48/499845248.db2.gz BLVRTAPCXUGRIG-NQIIRXRSSA-N 1 3 355.526 3.371 20 0 FGADHO Cc1cccn2cc(COc3ccc(C[NH2+]C4(C)CCNCC4)cc3)nc12 ZINC000414948432 499847850 /nfs/dbraw/zinc/84/78/50/499847850.db2.gz YELMZLYLVIMYDV-UHFFFAOYSA-N 1 3 364.493 3.453 20 0 FGADHO FC(F)(F)c1cccc(C2(C[NH2+]C[C@H]3CCCNC3)CCOCC2)c1 ZINC000415094759 499862773 /nfs/dbraw/zinc/86/27/73/499862773.db2.gz YETGXJUTESJULA-HNNXBMFYSA-N 1 3 356.432 3.343 20 0 FGADHO FC(F)(F)c1cccc(C2(CNC[C@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094759 499862775 /nfs/dbraw/zinc/86/27/75/499862775.db2.gz YETGXJUTESJULA-HNNXBMFYSA-N 1 3 356.432 3.343 20 0 FGADHO CN(C)Cc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)c(F)c1 ZINC000412557566 499863203 /nfs/dbraw/zinc/86/32/03/499863203.db2.gz JHVJNNGRDOTLOL-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO CCCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415121380 499866104 /nfs/dbraw/zinc/86/61/04/499866104.db2.gz GYRDGYVZWVEQJV-GHTZIAJQSA-N 1 3 362.514 3.202 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1SC ZINC000415121492 499866310 /nfs/dbraw/zinc/86/63/10/499866310.db2.gz IEEDMWRRNWFNGC-IAGOWNOFSA-N 1 3 350.528 3.135 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130362 499867810 /nfs/dbraw/zinc/86/78/10/499867810.db2.gz QREOPLRJTFWMTA-MSOLQXFVSA-N 1 3 372.431 3.346 20 0 FGADHO [NH3+]CC1(O)CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000415147323 499870346 /nfs/dbraw/zinc/87/03/46/499870346.db2.gz HLYNDFVQLZOONW-QPJJXVBHSA-N 1 3 352.478 3.064 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415898080 499925572 /nfs/dbraw/zinc/92/55/72/499925572.db2.gz GXGWXRJCRPGCGG-QFBILLFUSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000415906591 499926782 /nfs/dbraw/zinc/92/67/82/499926782.db2.gz XUDLMTSYHDBFKF-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO CNCc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000415907695 499927188 /nfs/dbraw/zinc/92/71/88/499927188.db2.gz BUTUIQYRLVLQMY-SFHVURJKSA-N 1 3 358.530 3.382 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000415919454 499928528 /nfs/dbraw/zinc/92/85/28/499928528.db2.gz NGSILFCYBNZPAW-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000415944510 499931399 /nfs/dbraw/zinc/93/13/99/499931399.db2.gz PKONWYHWWRQMOZ-LJQANCHMSA-N 1 3 354.498 3.091 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC1 ZINC000415963963 499934440 /nfs/dbraw/zinc/93/44/40/499934440.db2.gz VODAKTWGZBKBNE-UHFFFAOYSA-N 1 3 352.482 3.322 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000415966451 499935071 /nfs/dbraw/zinc/93/50/71/499935071.db2.gz ZQKMWPSNFXBKNE-FQEVSTJZSA-N 1 3 370.497 3.359 20 0 FGADHO C[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971688 499935673 /nfs/dbraw/zinc/93/56/73/499935673.db2.gz GSBYBLLDRNOZSM-KRWDZBQOSA-N 1 3 352.482 3.274 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415971450 499935726 /nfs/dbraw/zinc/93/57/26/499935726.db2.gz JTQFEPUSQVFYAB-IAGOWNOFSA-N 1 3 374.529 3.048 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974725 499935868 /nfs/dbraw/zinc/93/58/68/499935868.db2.gz RYCJHRYRGRNNRB-UHFFFAOYSA-N 1 3 358.408 3.114 20 0 FGADHO CC1(C)CCCN(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415973009 499935999 /nfs/dbraw/zinc/93/59/99/499935999.db2.gz PNGWDGQLPBWQGA-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417294765 500031784 /nfs/dbraw/zinc/03/17/84/500031784.db2.gz ITHQHWKMNLYROS-XJKSGUPXSA-N 1 3 374.451 3.125 20 0 FGADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000425375435 500089040 /nfs/dbraw/zinc/08/90/40/500089040.db2.gz ZOLVMHPCFYPRME-XUVXKRRUSA-N 1 3 360.567 3.399 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000417687883 500149693 /nfs/dbraw/zinc/14/96/93/500149693.db2.gz IHGKSYNHYTWQBO-GOSISDBHSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000417698499 500151681 /nfs/dbraw/zinc/15/16/81/500151681.db2.gz GIVUOCJUFXPGCF-QFBILLFUSA-N 1 3 354.498 3.115 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417734325 500159666 /nfs/dbraw/zinc/15/96/66/500159666.db2.gz KAXQTWPTNVHKNX-JZXOWHBKSA-N 1 3 366.575 3.146 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000417833182 500180536 /nfs/dbraw/zinc/18/05/36/500180536.db2.gz LSHRKDZEFNSVJP-JOCHJYFZSA-N 1 3 365.521 3.221 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000417011787 500183356 /nfs/dbraw/zinc/18/33/56/500183356.db2.gz UARATRBYAJETNJ-JFIYKMOQSA-N 1 3 366.575 3.195 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000417942842 500201610 /nfs/dbraw/zinc/20/16/10/500201610.db2.gz UGICKODPSOWKPF-RRWXTXHCSA-N 1 3 360.546 3.229 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000425933793 500213709 /nfs/dbraw/zinc/21/37/09/500213709.db2.gz WVRSOKUNPSHODN-STQMWFEESA-N 1 3 361.408 3.090 20 0 FGADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933793 500213712 /nfs/dbraw/zinc/21/37/12/500213712.db2.gz WVRSOKUNPSHODN-STQMWFEESA-N 1 3 361.408 3.090 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000579473135 506183686 /nfs/dbraw/zinc/18/36/86/506183686.db2.gz HXGQSMOLTRKODF-JTDSTZFVSA-N 1 3 364.917 3.329 20 0 FGADHO O=C(NCCN1CCCCC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426155966 500242111 /nfs/dbraw/zinc/24/21/11/500242111.db2.gz CTAWWHUDSCEYBV-UHFFFAOYSA-N 1 3 374.529 3.159 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174566 500242399 /nfs/dbraw/zinc/24/23/99/500242399.db2.gz FGWCOXRPNCGJPP-KRWDZBQOSA-N 1 3 366.937 3.164 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N(C)C ZINC000418186466 500244998 /nfs/dbraw/zinc/24/49/98/500244998.db2.gz RYRMMLXCMHUZMO-JTJHWIPRSA-N 1 3 372.557 3.017 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418190129 500245968 /nfs/dbraw/zinc/24/59/68/500245968.db2.gz WBMGJUDWUPRXPN-YYWHXJBOSA-N 1 3 368.525 3.457 20 0 FGADHO NC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000418501307 500284821 /nfs/dbraw/zinc/28/48/21/500284821.db2.gz QRHATYXPLPLAFA-NRFANRHFSA-N 1 3 366.509 3.109 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641161 500285550 /nfs/dbraw/zinc/28/55/50/500285550.db2.gz XGRFXSQQYLQSFP-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000422641161 500285555 /nfs/dbraw/zinc/28/55/55/500285555.db2.gz XGRFXSQQYLQSFP-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000422641161 500285557 /nfs/dbraw/zinc/28/55/57/500285557.db2.gz XGRFXSQQYLQSFP-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO COc1cccc(OC)c1Oc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422725858 500290085 /nfs/dbraw/zinc/29/00/85/500290085.db2.gz YUIKBXGQQIMWBB-DLBZAZTESA-N 1 3 371.481 3.498 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720099 500290277 /nfs/dbraw/zinc/29/02/77/500290277.db2.gz ZNWYTFLHGJCIBJ-UKPHBRMFSA-N 1 3 352.320 3.006 20 0 FGADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000422736290 500292603 /nfs/dbraw/zinc/29/26/03/500292603.db2.gz VUVLQNIODFKCJZ-DHUIEDIVSA-N 1 3 366.465 3.084 20 0 FGADHO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCCC1 ZINC000422742412 500293241 /nfs/dbraw/zinc/29/32/41/500293241.db2.gz GHJOLKHOTOHPKG-IIBYNOLFSA-N 1 3 368.525 3.345 20 0 FGADHO CN(CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422758700 500294749 /nfs/dbraw/zinc/29/47/49/500294749.db2.gz KPCWEUSJYPULLC-IFMALSPDSA-N 1 3 351.494 3.358 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772527 500296217 /nfs/dbraw/zinc/29/62/17/500296217.db2.gz YWVGWFRJIZTOLH-HLIPFELVSA-N 1 3 357.523 3.196 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779937 500296505 /nfs/dbraw/zinc/29/65/05/500296505.db2.gz CKEUGFHATZVXGM-IIBYNOLFSA-N 1 3 352.457 3.102 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422801437 500299718 /nfs/dbraw/zinc/29/97/18/500299718.db2.gz BXOCIZOHCNIGJN-DNVJHFABSA-N 1 3 370.585 3.017 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809219 500300483 /nfs/dbraw/zinc/30/04/83/500300483.db2.gz RKBFLRSUIUNQIZ-NLWGTHIKSA-N 1 3 357.523 3.196 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810560 500301068 /nfs/dbraw/zinc/30/10/68/500301068.db2.gz NQJMWHOZQQUKID-HLSZOSTASA-N 1 3 371.569 3.306 20 0 FGADHO CC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N1CCc2ccccc2C1 ZINC000422813416 500301413 /nfs/dbraw/zinc/30/14/13/500301413.db2.gz YCQCLGHTELJRDY-YSZBQJHXSA-N 1 3 351.538 3.371 20 0 FGADHO CC[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422813416 500301415 /nfs/dbraw/zinc/30/14/15/500301415.db2.gz YCQCLGHTELJRDY-YSZBQJHXSA-N 1 3 351.538 3.371 20 0 FGADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1OCc1ccncc1 ZINC000430911316 500306128 /nfs/dbraw/zinc/30/61/28/500306128.db2.gz BNCZGDYSAQHEOW-UHFFFAOYSA-N 1 3 367.493 3.245 20 0 FGADHO CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418694617 500309127 /nfs/dbraw/zinc/30/91/27/500309127.db2.gz WAOLXMUNMKOINO-ICSRJNTNSA-N 1 3 360.546 3.200 20 0 FGADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418701412 500309863 /nfs/dbraw/zinc/30/98/63/500309863.db2.gz GGYQOPLZRFZDJF-OALUTQOASA-N 1 3 368.525 3.066 20 0 FGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884058 500310009 /nfs/dbraw/zinc/31/00/09/500310009.db2.gz RNHZPLHZZFXWIG-RTWAWAEBSA-N 1 3 367.493 3.454 20 0 FGADHO Cc1nccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cc1F ZINC000422904171 500313864 /nfs/dbraw/zinc/31/38/64/500313864.db2.gz PSWLREIAALVPFB-QRWLVFNGSA-N 1 3 352.457 3.368 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422911863 500315535 /nfs/dbraw/zinc/31/55/35/500315535.db2.gz UPJACYFGNOZODP-BSDSXHPESA-N 1 3 363.933 3.438 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422911864 500315730 /nfs/dbraw/zinc/31/57/30/500315730.db2.gz UPJACYFGNOZODP-WNRNVDISSA-N 1 3 363.933 3.438 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@@H]3N)CC2)cs1 ZINC000422913539 500316157 /nfs/dbraw/zinc/31/61/57/500316157.db2.gz QDSATHUTDKCLHU-ROUUACIJSA-N 1 3 350.576 3.167 20 0 FGADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422922440 500316884 /nfs/dbraw/zinc/31/68/84/500316884.db2.gz STBFNJGHXVEPIJ-NJDAHSKKSA-N 1 3 374.525 3.071 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1 ZINC000422922440 500316887 /nfs/dbraw/zinc/31/68/87/500316887.db2.gz STBFNJGHXVEPIJ-NJDAHSKKSA-N 1 3 374.525 3.071 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418750131 500318119 /nfs/dbraw/zinc/31/81/19/500318119.db2.gz NNZRQVQOLIBXMN-NRSPTQNISA-N 1 3 372.557 3.213 20 0 FGADHO Clc1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928419 500318449 /nfs/dbraw/zinc/31/84/49/500318449.db2.gz KMIOYUCCVXRUOU-DJIMGWMZSA-N 1 3 350.890 3.164 20 0 FGADHO COc1ccc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000426787500 500320591 /nfs/dbraw/zinc/32/05/91/500320591.db2.gz FGLPDSQHJZGPHZ-RTBURBONSA-N 1 3 360.542 3.449 20 0 FGADHO Brc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422951238 500322820 /nfs/dbraw/zinc/32/28/20/500322820.db2.gz ZYRGDRCATMVWQL-BBWFWOEESA-N 1 3 353.304 3.338 20 0 FGADHO Brc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951239 500322847 /nfs/dbraw/zinc/32/28/47/500322847.db2.gz ZYRGDRCATMVWQL-BRWVUGGUSA-N 1 3 353.304 3.338 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000422984896 500327219 /nfs/dbraw/zinc/32/72/19/500327219.db2.gz BOBBHULKJXXAQO-SNVBAGLBSA-N 1 3 365.326 3.466 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423035487 500333847 /nfs/dbraw/zinc/33/38/47/500333847.db2.gz RNAXUCCYECTSDZ-ZBFHGGJFSA-N 1 3 355.320 3.497 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000423106970 500343197 /nfs/dbraw/zinc/34/31/97/500343197.db2.gz KDEXJLWEAHGFOS-PBHICJAKSA-N 1 3 366.347 3.232 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000423106970 500343204 /nfs/dbraw/zinc/34/32/04/500343204.db2.gz KDEXJLWEAHGFOS-PBHICJAKSA-N 1 3 366.347 3.232 20 0 FGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119485 500344719 /nfs/dbraw/zinc/34/47/19/500344719.db2.gz CNWZLEPBYXPGJJ-WFASDCNBSA-N 1 3 350.304 3.451 20 0 FGADHO CC(C)c1nnc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123459 500345282 /nfs/dbraw/zinc/34/52/82/500345282.db2.gz DRVRTXRJNPLISH-KXBFYZLASA-N 1 3 358.511 3.050 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127102 500345808 /nfs/dbraw/zinc/34/58/08/500345808.db2.gz SXXHSZYIYQWDHV-DGCLKSJQSA-N 1 3 356.919 3.300 20 0 FGADHO OC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134600 500347172 /nfs/dbraw/zinc/34/71/72/500347172.db2.gz XBQRPUJJKUWUSX-NYSBEXSLSA-N 1 3 372.896 3.261 20 0 FGADHO OC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134602 500347422 /nfs/dbraw/zinc/34/74/22/500347422.db2.gz XBQRPUJJKUWUSX-ZRCAFCQKSA-N 1 3 372.896 3.261 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147505 500348387 /nfs/dbraw/zinc/34/83/87/500348387.db2.gz CPTQOELELJLIRV-QIIPPGSGSA-N 1 3 360.452 3.121 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423147505 500348389 /nfs/dbraw/zinc/34/83/89/500348389.db2.gz CPTQOELELJLIRV-QIIPPGSGSA-N 1 3 360.452 3.121 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056369 500348841 /nfs/dbraw/zinc/34/88/41/500348841.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056369 500348844 /nfs/dbraw/zinc/34/88/44/500348844.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 1 3 367.537 3.126 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCNCc2cccnc2)CC1 ZINC000423183964 500352382 /nfs/dbraw/zinc/35/23/82/500352382.db2.gz HAYILGFTISHPKS-HXUWFJFHSA-N 1 3 366.553 3.247 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423205993 500355056 /nfs/dbraw/zinc/35/50/56/500355056.db2.gz WQCWBXMFWHFLCT-OAHLLOKOSA-N 1 3 353.532 3.151 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290049 500361962 /nfs/dbraw/zinc/36/19/62/500361962.db2.gz CCRFCIFLGUPOBG-AVRDEDQJSA-N 1 3 353.510 3.178 20 0 FGADHO Cc1cc([C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)ccc1F ZINC000423375157 500367967 /nfs/dbraw/zinc/36/79/67/500367967.db2.gz CWNMARMIZRTZAK-IAGOWNOFSA-N 1 3 359.411 3.011 20 0 FGADHO FC(F)(F)[C@@H](CN[C@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372804 500368066 /nfs/dbraw/zinc/36/80/66/500368066.db2.gz BJOZUPSUWIXDKU-CVEARBPZSA-N 1 3 361.477 3.405 20 0 FGADHO CSc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379199 500368836 /nfs/dbraw/zinc/36/88/36/500368836.db2.gz GKCCXMGJKHNYKB-NHYWBVRUSA-N 1 3 365.440 3.034 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385469 500369419 /nfs/dbraw/zinc/36/94/19/500369419.db2.gz KRZBMBNSILSBCF-WBMJQRKESA-N 1 3 361.477 3.114 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392413 500369619 /nfs/dbraw/zinc/36/96/19/500369619.db2.gz QLGGCNPQMUWOMT-BXUZGUMPSA-N 1 3 369.353 3.192 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387641 500369750 /nfs/dbraw/zinc/36/97/50/500369750.db2.gz SSKABVRWLWIXHG-FIKGOQFSSA-N 1 3 351.494 3.489 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423388075 500369867 /nfs/dbraw/zinc/36/98/67/500369867.db2.gz SXRDBLKNSCKRAF-IOASZLSFSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423388075 500369870 /nfs/dbraw/zinc/36/98/70/500369870.db2.gz SXRDBLKNSCKRAF-IOASZLSFSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)cc(Cl)c1 ZINC000423452879 500375926 /nfs/dbraw/zinc/37/59/26/500375926.db2.gz KGWHUHPOPXJEDY-LSKLOWJMSA-N 1 3 370.324 3.291 20 0 FGADHO C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423768925 500400065 /nfs/dbraw/zinc/40/00/65/500400065.db2.gz BQCXAGNMEOGFOH-RBUKOAKNSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000423777844 500400824 /nfs/dbraw/zinc/40/08/24/500400824.db2.gz SJKBNBYPWCOZAT-ZOCIIQOWSA-N 1 3 359.901 3.395 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431656136 500404112 /nfs/dbraw/zinc/40/41/12/500404112.db2.gz VFRJZASMGLPTNL-RTWAWAEBSA-N 1 3 351.494 3.070 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000423968798 500426217 /nfs/dbraw/zinc/42/62/17/500426217.db2.gz KRIVQTQDVTYZJD-NRFANRHFSA-N 1 3 351.494 3.492 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845535 500433086 /nfs/dbraw/zinc/43/30/86/500433086.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 1 3 359.558 3.259 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431845535 500433089 /nfs/dbraw/zinc/43/30/89/500433089.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 1 3 359.558 3.259 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307928 500438590 /nfs/dbraw/zinc/43/85/90/500438590.db2.gz RRVZBEURQMUYBO-JTHBVZDNSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307928 500438591 /nfs/dbraw/zinc/43/85/91/500438591.db2.gz RRVZBEURQMUYBO-JTHBVZDNSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000420315244 500440069 /nfs/dbraw/zinc/44/00/69/500440069.db2.gz LKGCXWDLMCESHC-IBGZPJMESA-N 1 3 367.493 3.088 20 0 FGADHO C[C@@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420322531 500441959 /nfs/dbraw/zinc/44/19/59/500441959.db2.gz AIIPFDLEKFIBTO-VUCTXSBTSA-N 1 3 353.304 3.338 20 0 FGADHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330690 500442400 /nfs/dbraw/zinc/44/24/00/500442400.db2.gz BEMFHGNDUXRMJF-BHIYHBOVSA-N 1 3 351.494 3.488 20 0 FGADHO C[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416288 500457710 /nfs/dbraw/zinc/45/77/10/500457710.db2.gz VRSMNUFMFPKUJJ-PLMTUMEDSA-N 1 3 371.550 3.261 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284231 500481174 /nfs/dbraw/zinc/48/11/74/500481174.db2.gz DCWQSOAKKUMYRV-RTBURBONSA-N 1 3 369.553 3.278 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289015 500481802 /nfs/dbraw/zinc/48/18/02/500481802.db2.gz LGAKHOHVPHNCHT-IBGZPJMESA-N 1 3 357.542 3.198 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292130 500482526 /nfs/dbraw/zinc/48/25/26/500482526.db2.gz OCRPFMINDWNQRU-ZWKOTPCHSA-N 1 3 365.521 3.481 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424309167 500484527 /nfs/dbraw/zinc/48/45/27/500484527.db2.gz HZOHQHAWEUNZHY-HZPDHXFCSA-N 1 3 353.938 3.273 20 0 FGADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428231482 500484642 /nfs/dbraw/zinc/48/46/42/500484642.db2.gz WFYSKYQVDHSCOI-PWRODBHTSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428231482 500484643 /nfs/dbraw/zinc/48/46/43/500484643.db2.gz WFYSKYQVDHSCOI-PWRODBHTSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428231482 500484645 /nfs/dbraw/zinc/48/46/45/500484645.db2.gz WFYSKYQVDHSCOI-PWRODBHTSA-N 1 3 357.542 3.183 20 0 FGADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425334 500514663 /nfs/dbraw/zinc/51/46/63/500514663.db2.gz MFGLZJRNZOHUKO-BEFAXECRSA-N 1 3 361.486 3.321 20 0 FGADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425334 500514666 /nfs/dbraw/zinc/51/46/66/500514666.db2.gz MFGLZJRNZOHUKO-BEFAXECRSA-N 1 3 361.486 3.321 20 0 FGADHO C[C@@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420904574 500527112 /nfs/dbraw/zinc/52/71/12/500527112.db2.gz PUHOLOJVYHZYRE-KMFTYDHNSA-N 1 3 372.557 3.165 20 0 FGADHO Clc1cnc(OCC[NH2+]C2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000582406112 506203865 /nfs/dbraw/zinc/20/38/65/506203865.db2.gz HYYHRLUBAHEQLJ-UHFFFAOYSA-N 1 3 367.280 3.421 20 0 FGADHO CN(Cc1cc(C(F)(F)F)n[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442844970 500633971 /nfs/dbraw/zinc/63/39/71/500633971.db2.gz XCQYPMUEMNGYAD-UHFFFAOYSA-N 1 3 353.392 3.172 20 0 FGADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442878613 500638993 /nfs/dbraw/zinc/63/89/93/500638993.db2.gz ZJJGRWAFISJUCL-SFHVURJKSA-N 1 3 374.573 3.143 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000443640858 500748989 /nfs/dbraw/zinc/74/89/89/500748989.db2.gz OHDRRFHITRLLJQ-JOCHJYFZSA-N 1 3 371.569 3.464 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000439177350 500866532 /nfs/dbraw/zinc/86/65/32/500866532.db2.gz LEYIMLYOUWIEEI-DLBZAZTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCCC[C@@H]1C ZINC000439177350 500866533 /nfs/dbraw/zinc/86/65/33/500866533.db2.gz LEYIMLYOUWIEEI-DLBZAZTESA-N 1 3 366.575 3.084 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439215965 500870902 /nfs/dbraw/zinc/87/09/02/500870902.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 1 3 370.541 3.090 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439215965 500870905 /nfs/dbraw/zinc/87/09/05/500870905.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 1 3 370.541 3.090 20 0 FGADHO COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000449033945 500906138 /nfs/dbraw/zinc/90/61/38/500906138.db2.gz BIVQGDZNFKPJTG-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO COc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000449033945 500906139 /nfs/dbraw/zinc/90/61/39/500906139.db2.gz BIVQGDZNFKPJTG-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@@H](C[NH2+]Cc1cccc(CN(C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449219778 500951309 /nfs/dbraw/zinc/95/13/09/500951309.db2.gz NZLVZIRVEVQUBG-INIZCTEOSA-N 1 3 360.523 3.045 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000449237874 500954711 /nfs/dbraw/zinc/95/47/11/500954711.db2.gz PFBKUQBUSWSBMC-MSYGRNIXSA-N 1 3 372.553 3.398 20 0 FGADHO C[C@@H]([NH3+])C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435373017 500961125 /nfs/dbraw/zinc/96/11/25/500961125.db2.gz CSFRNWVYDXNBMX-QGZVFWFLSA-N 1 3 361.493 3.494 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388653 500966191 /nfs/dbraw/zinc/96/61/91/500966191.db2.gz IHNUVQOLCZVWPS-DUXKGJEZSA-N 1 3 359.477 3.103 20 0 FGADHO CN(Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435436913 500976848 /nfs/dbraw/zinc/97/68/48/500976848.db2.gz IJDBPCSDVUTKJV-HNNXBMFYSA-N 1 3 352.404 3.465 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562895 500992825 /nfs/dbraw/zinc/99/28/25/500992825.db2.gz JTYXHTORWCAZIB-JZXOWHBKSA-N 1 3 361.555 3.092 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449480756 501013520 /nfs/dbraw/zinc/01/35/20/501013520.db2.gz ZMXUXKQFWMQROU-IBGZPJMESA-N 1 3 357.542 3.267 20 0 FGADHO CC(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200280 501102649 /nfs/dbraw/zinc/10/26/49/501102649.db2.gz CCLDNAOGIFKIBI-FNAHDJPLSA-N 1 3 364.574 3.120 20 0 FGADHO CC(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200280 501102651 /nfs/dbraw/zinc/10/26/51/501102651.db2.gz CCLDNAOGIFKIBI-FNAHDJPLSA-N 1 3 364.574 3.120 20 0 FGADHO CCc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450403511 501112746 /nfs/dbraw/zinc/11/27/46/501112746.db2.gz AXIXWNOLUBVYOJ-UWJYYQICSA-N 1 3 352.526 3.259 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000441367101 501128210 /nfs/dbraw/zinc/12/82/10/501128210.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 1 3 357.542 3.377 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000441367101 501128212 /nfs/dbraw/zinc/12/82/12/501128212.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 1 3 357.542 3.377 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000446744689 501160358 /nfs/dbraw/zinc/16/03/58/501160358.db2.gz KFPURUJPKSSHAC-WIYYLYMNSA-N 1 3 371.529 3.130 20 0 FGADHO O=C([C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1)N1CCCCC1 ZINC000447027842 501195528 /nfs/dbraw/zinc/19/55/28/501195528.db2.gz MPDFPFHAOZPGMC-NRFANRHFSA-N 1 3 355.526 3.204 20 0 FGADHO CC1(C)OCC[C@@H]1NCc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1F ZINC000451243120 501254540 /nfs/dbraw/zinc/25/45/40/501254540.db2.gz OXDCBXPQUHXLIC-ROUUACIJSA-N 1 3 350.478 3.140 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3ccncn3)CC2)c1 ZINC000453059580 501260709 /nfs/dbraw/zinc/26/07/09/501260709.db2.gz BJOPYUBHWGVMDI-LJQANCHMSA-N 1 3 353.514 3.038 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453103876 501269857 /nfs/dbraw/zinc/26/98/57/501269857.db2.gz XONFSOFAEIRVSV-GXRSIYKFSA-N 1 3 360.542 3.053 20 0 FGADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453103876 501269859 /nfs/dbraw/zinc/26/98/59/501269859.db2.gz XONFSOFAEIRVSV-GXRSIYKFSA-N 1 3 360.542 3.053 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000458481505 501454444 /nfs/dbraw/zinc/45/44/44/501454444.db2.gz DADXPDMJFQDFKR-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555127 501473344 /nfs/dbraw/zinc/47/33/44/501473344.db2.gz LZPFAAHULZYSNT-ZIBCJSCZSA-N 1 3 372.557 3.097 20 0 FGADHO CC(C)N(C)CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454622 501504021 /nfs/dbraw/zinc/50/40/21/501504021.db2.gz VELJJDZDAIOMLH-QFIPXVFZSA-N 1 3 371.569 3.476 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646026 501600245 /nfs/dbraw/zinc/60/02/45/501600245.db2.gz PIZAEXDZFVMQPG-SJORKVTESA-N 1 3 352.567 3.011 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646026 501600247 /nfs/dbraw/zinc/60/02/47/501600247.db2.gz PIZAEXDZFVMQPG-SJORKVTESA-N 1 3 352.567 3.011 20 0 FGADHO CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459167018 501607288 /nfs/dbraw/zinc/60/72/88/501607288.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459167018 501607291 /nfs/dbraw/zinc/60/72/91/501607291.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc(OC)c1OC ZINC000459371031 501641257 /nfs/dbraw/zinc/64/12/57/501641257.db2.gz HXQHKAFLLFQBNU-HNNXBMFYSA-N 1 3 371.481 3.427 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459701138 501700935 /nfs/dbraw/zinc/70/09/35/501700935.db2.gz NANFIWVIKGSXHF-HXUWFJFHSA-N 1 3 365.521 3.094 20 0 FGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738336 501706643 /nfs/dbraw/zinc/70/66/43/501706643.db2.gz RQKKARYZFHSBRC-ZDUSSCGKSA-N 1 3 369.303 3.042 20 0 FGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738336 501706644 /nfs/dbraw/zinc/70/66/44/501706644.db2.gz RQKKARYZFHSBRC-ZDUSSCGKSA-N 1 3 369.303 3.042 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457500241 501711706 /nfs/dbraw/zinc/71/17/06/501711706.db2.gz XHJXBWHNIDUNOL-DLBZAZTESA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457500241 501711709 /nfs/dbraw/zinc/71/17/09/501711709.db2.gz XHJXBWHNIDUNOL-DLBZAZTESA-N 1 3 364.559 3.009 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000467368706 501779265 /nfs/dbraw/zinc/77/92/65/501779265.db2.gz IKENFDVQTIEHDN-QAPCUYQASA-N 1 3 358.448 3.319 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346833 501797681 /nfs/dbraw/zinc/79/76/81/501797681.db2.gz IARJMTWCGLNALI-RTBURBONSA-N 1 3 371.569 3.429 20 0 FGADHO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000460343617 501797855 /nfs/dbraw/zinc/79/78/55/501797855.db2.gz PJNGWPVNBMVOCJ-IYWMVGAKSA-N 1 3 371.569 3.237 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458776451 501869942 /nfs/dbraw/zinc/86/99/42/501869942.db2.gz NLTSJHTXULOFDN-HKUYNNGSSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000467842675 501889372 /nfs/dbraw/zinc/88/93/72/501889372.db2.gz RJDNUZNCIIVNAM-INIZCTEOSA-N 1 3 360.452 3.223 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018780 501931162 /nfs/dbraw/zinc/93/11/62/501931162.db2.gz BKFFWCVILANQLB-DBVUQKKJSA-N 1 3 362.514 3.245 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995836 501939895 /nfs/dbraw/zinc/93/98/95/501939895.db2.gz XOOBCOOFZMMNDA-FCHUYYIVSA-N 1 3 351.494 3.279 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995836 501939898 /nfs/dbraw/zinc/93/98/98/501939898.db2.gz XOOBCOOFZMMNDA-FCHUYYIVSA-N 1 3 351.494 3.279 20 0 FGADHO CC(C)(CNC(=O)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000478414018 501973772 /nfs/dbraw/zinc/97/37/72/501973772.db2.gz SZXHOWMPQMZFON-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475009722 502020163 /nfs/dbraw/zinc/02/01/63/502020163.db2.gz SCLGFRCHMNYWJV-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037622 502030856 /nfs/dbraw/zinc/03/08/56/502030856.db2.gz FSROFTIZVCCJCZ-STZQEDGTSA-N 1 3 365.521 3.284 20 0 FGADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCOCC[NH+](C)C)o1 ZINC000471550664 502061803 /nfs/dbraw/zinc/06/18/03/502061803.db2.gz JRIXNWHAEWGJTL-UHFFFAOYSA-N 1 3 368.481 3.109 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)CC2CCN(C)CC2)CCCC1)c1ccccc1 ZINC000486248105 502098711 /nfs/dbraw/zinc/09/87/11/502098711.db2.gz CFKPEDFKBMKWTR-GOSISDBHSA-N 1 3 357.542 3.498 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429405 502111124 /nfs/dbraw/zinc/11/11/24/502111124.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 1 3 369.553 3.228 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429405 502111125 /nfs/dbraw/zinc/11/11/25/502111125.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 1 3 369.553 3.228 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(CC)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000471835805 502150148 /nfs/dbraw/zinc/15/01/48/502150148.db2.gz QLPNZKXKPKXMJF-OAQYLSRUSA-N 1 3 374.573 3.369 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000461716690 502176726 /nfs/dbraw/zinc/17/67/26/502176726.db2.gz QBPYJMQNMIYXTR-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N2CCCC2)cc1 ZINC000479205371 502192688 /nfs/dbraw/zinc/19/26/88/502192688.db2.gz LECKGYPFRVVAQW-SFTDATJTSA-N 1 3 369.484 3.130 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207209 502192952 /nfs/dbraw/zinc/19/29/52/502192952.db2.gz IQYPZPDEMRRHKF-MAODMQOUSA-N 1 3 369.484 3.037 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207209 502192954 /nfs/dbraw/zinc/19/29/54/502192954.db2.gz IQYPZPDEMRRHKF-MAODMQOUSA-N 1 3 369.484 3.037 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000461790082 502201479 /nfs/dbraw/zinc/20/14/79/502201479.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000461790082 502201484 /nfs/dbraw/zinc/20/14/84/502201484.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)Oc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482871321 502203962 /nfs/dbraw/zinc/20/39/62/502203962.db2.gz QSBKARJRVDDRBQ-QGZVFWFLSA-N 1 3 361.530 3.067 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Cl)c1C ZINC000468877108 502214979 /nfs/dbraw/zinc/21/49/79/502214979.db2.gz HZLFWWAWEDVFJK-INIZCTEOSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Cl)c1C ZINC000468877108 502214984 /nfs/dbraw/zinc/21/49/84/502214984.db2.gz HZLFWWAWEDVFJK-INIZCTEOSA-N 1 3 351.922 3.137 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000468890283 502219202 /nfs/dbraw/zinc/21/92/02/502219202.db2.gz HRIVQJZFJIWHCW-OAQYLSRUSA-N 1 3 360.546 3.024 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486698198 502234522 /nfs/dbraw/zinc/23/45/22/502234522.db2.gz HIQMAPCBKSSJRF-UHFFFAOYSA-N 1 3 355.526 3.325 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000465396176 502249323 /nfs/dbraw/zinc/24/93/23/502249323.db2.gz DCTYJHHNIWBLLZ-HXUWFJFHSA-N 1 3 366.594 3.118 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000465396176 502249326 /nfs/dbraw/zinc/24/93/26/502249326.db2.gz DCTYJHHNIWBLLZ-HXUWFJFHSA-N 1 3 366.594 3.118 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000465555470 502306537 /nfs/dbraw/zinc/30/65/37/502306537.db2.gz XKTCWXXKYBJZBL-RXVVDRJESA-N 1 3 372.557 3.200 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000465575865 502312992 /nfs/dbraw/zinc/31/29/92/502312992.db2.gz QXRRYPNKXUZCFB-WIYYLYMNSA-N 1 3 372.557 3.200 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465669272 502341671 /nfs/dbraw/zinc/34/16/71/502341671.db2.gz WJUSKEUDBXWUAU-QYZOEREBSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465669272 502341675 /nfs/dbraw/zinc/34/16/75/502341675.db2.gz WJUSKEUDBXWUAU-QYZOEREBSA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103826 502359898 /nfs/dbraw/zinc/35/98/98/502359898.db2.gz OCAHUIGCEQBMAI-QZTJIDSGSA-N 1 3 366.575 3.113 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465758091 502374328 /nfs/dbraw/zinc/37/43/28/502374328.db2.gz PDUIBSBLLFKXDL-NRSPTQNISA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465758091 502374330 /nfs/dbraw/zinc/37/43/30/502374330.db2.gz PDUIBSBLLFKXDL-NRSPTQNISA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000465769585 502378914 /nfs/dbraw/zinc/37/89/14/502378914.db2.gz HNXCNSCAESQKIH-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822363 502395952 /nfs/dbraw/zinc/39/59/52/502395952.db2.gz VZOOWROLOMBKJP-SFTDATJTSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822363 502395956 /nfs/dbraw/zinc/39/59/56/502395956.db2.gz VZOOWROLOMBKJP-SFTDATJTSA-N 1 3 372.557 3.161 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042100 502464298 /nfs/dbraw/zinc/46/42/98/502464298.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042100 502464302 /nfs/dbraw/zinc/46/43/02/502464302.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000588709823 506317607 /nfs/dbraw/zinc/31/76/07/506317607.db2.gz DTULDVXGASFGTN-ANTGDGSKSA-N 1 3 352.563 3.403 20 0 FGADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869167 502576141 /nfs/dbraw/zinc/57/61/41/502576141.db2.gz CJIHMNBPLIJJOR-HDICACEKSA-N 1 3 359.514 3.281 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)n(C)c1C ZINC000462791335 502576205 /nfs/dbraw/zinc/57/62/05/502576205.db2.gz SDONQLUHSUHJDC-UHFFFAOYSA-N 1 3 369.509 3.396 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019065 502602274 /nfs/dbraw/zinc/60/22/74/502602274.db2.gz WDKYZMQFZYPNIJ-LVCYWYKZSA-N 1 3 364.578 3.013 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2cccc(NC3CCN(CCC(F)(F)F)CC3)c2)C1 ZINC000462866503 502604954 /nfs/dbraw/zinc/60/49/54/502604954.db2.gz NBWOKGNVEMVMFP-GOSISDBHSA-N 1 3 371.447 3.082 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2cccc(NC3CCN(CCC(F)(F)F)CC3)c2)C1 ZINC000462866503 502604960 /nfs/dbraw/zinc/60/49/60/502604960.db2.gz NBWOKGNVEMVMFP-GOSISDBHSA-N 1 3 371.447 3.082 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000480679628 502640500 /nfs/dbraw/zinc/64/05/00/502640500.db2.gz VPYIKTINHZBOTH-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000480679628 502640505 /nfs/dbraw/zinc/64/05/05/502640505.db2.gz VPYIKTINHZBOTH-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000480679628 502640511 /nfs/dbraw/zinc/64/05/11/502640511.db2.gz VPYIKTINHZBOTH-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[NH+]1CCCCC1)N(C)C ZINC000476984054 502641334 /nfs/dbraw/zinc/64/13/34/502641334.db2.gz PZVVDDAUKFCHBH-AZUAARDMSA-N 1 3 360.546 3.161 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484646318 502694894 /nfs/dbraw/zinc/69/48/94/502694894.db2.gz UNXBXRNIEMERII-TZIWHRDSSA-N 1 3 372.557 3.339 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466922235 502727723 /nfs/dbraw/zinc/72/77/23/502727723.db2.gz VTROXXRYGZDGEI-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473884243 502737444 /nfs/dbraw/zinc/73/74/44/502737444.db2.gz HLSPCGOTISQTSB-ICSRJNTNSA-N 1 3 360.546 3.195 20 0 FGADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000463331667 502761113 /nfs/dbraw/zinc/76/11/13/502761113.db2.gz ZUILGXTZBQIZER-RBSFLKMASA-N 1 3 367.921 3.480 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049480 502790345 /nfs/dbraw/zinc/79/03/45/502790345.db2.gz YXYPEWLMUIWVMJ-YTFSRNRJSA-N 1 3 371.569 3.119 20 0 FGADHO CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000504909986 502822392 /nfs/dbraw/zinc/82/23/92/502822392.db2.gz VLTMFIVHERCXMT-LEWJYISDSA-N 1 3 357.542 3.374 20 0 FGADHO CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000504909986 502822396 /nfs/dbraw/zinc/82/23/96/502822396.db2.gz VLTMFIVHERCXMT-LEWJYISDSA-N 1 3 357.542 3.374 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000500817377 502870357 /nfs/dbraw/zinc/87/03/57/502870357.db2.gz KSYOSYSOFRBRGS-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CCCCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985375 502906312 /nfs/dbraw/zinc/90/63/12/502906312.db2.gz RUJJJXWAEVAZCQ-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO CCCCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000500985375 502906318 /nfs/dbraw/zinc/90/63/18/502906318.db2.gz RUJJJXWAEVAZCQ-PMACEKPBSA-N 1 3 353.595 3.318 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000513381357 502920330 /nfs/dbraw/zinc/92/03/30/502920330.db2.gz AUROQCOXIHFVND-OAQYLSRUSA-N 1 3 372.557 3.049 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000513381357 502920333 /nfs/dbraw/zinc/92/03/33/502920333.db2.gz AUROQCOXIHFVND-OAQYLSRUSA-N 1 3 372.557 3.049 20 0 FGADHO C[C@H](C(=O)NC1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048513 502922238 /nfs/dbraw/zinc/92/22/38/502922238.db2.gz VXTOVCXKAYISEV-QGZVFWFLSA-N 1 3 358.530 3.067 20 0 FGADHO CC(C)N(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000501050647 502922371 /nfs/dbraw/zinc/92/23/71/502922371.db2.gz DTYFDWGWBZIZCA-UHFFFAOYSA-N 1 3 372.557 3.409 20 0 FGADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066127 502926474 /nfs/dbraw/zinc/92/64/74/502926474.db2.gz CTPIUSXMLAMSBN-QUCCMNQESA-N 1 3 372.557 3.409 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000513450208 502941955 /nfs/dbraw/zinc/94/19/55/502941955.db2.gz HIVMXDCWGHYBRE-UHFFFAOYSA-N 1 3 367.537 3.213 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000513450208 502941957 /nfs/dbraw/zinc/94/19/57/502941957.db2.gz HIVMXDCWGHYBRE-UHFFFAOYSA-N 1 3 367.537 3.213 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601127 502945430 /nfs/dbraw/zinc/94/54/30/502945430.db2.gz KFDJTIBMZRWAMK-JZXOWHBKSA-N 1 3 364.534 3.081 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000489535970 502980704 /nfs/dbraw/zinc/98/07/04/502980704.db2.gz IHUJCSAPCDCFLV-ZWKOTPCHSA-N 1 3 360.546 3.289 20 0 FGADHO CCCN(C)c1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000505806128 502990112 /nfs/dbraw/zinc/99/01/12/502990112.db2.gz CEGKRXDFOVTQIE-OAQYLSRUSA-N 1 3 374.573 3.021 20 0 FGADHO CCCN(C)c1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000505806128 502990117 /nfs/dbraw/zinc/99/01/17/502990117.db2.gz CEGKRXDFOVTQIE-OAQYLSRUSA-N 1 3 374.573 3.021 20 0 FGADHO CN1CCC(N2CCC([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)CC1 ZINC000501379423 502996763 /nfs/dbraw/zinc/99/67/63/502996763.db2.gz XAZDLYKNLMVXLS-NQIIRXRSSA-N 1 3 356.558 3.256 20 0 FGADHO CN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713836 503007398 /nfs/dbraw/zinc/00/73/98/503007398.db2.gz UQWDBYJZEPUOGU-VJBWXMMDSA-N 1 3 370.585 3.051 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499001 503021535 /nfs/dbraw/zinc/02/15/35/503021535.db2.gz BSHMRJKPZWHYMX-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499001 503021540 /nfs/dbraw/zinc/02/15/40/503021540.db2.gz BSHMRJKPZWHYMX-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501499000 503021765 /nfs/dbraw/zinc/02/17/65/503021765.db2.gz BSHMRJKPZWHYMX-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499000 503021771 /nfs/dbraw/zinc/02/17/71/503021771.db2.gz BSHMRJKPZWHYMX-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000501547125 503034652 /nfs/dbraw/zinc/03/46/52/503034652.db2.gz RSROJLFXCSVBMS-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798378 503038328 /nfs/dbraw/zinc/03/83/28/503038328.db2.gz XDNNYONCCWHVCV-CYBMUJFWSA-N 1 3 372.282 3.120 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000501573139 503041800 /nfs/dbraw/zinc/04/18/00/503041800.db2.gz GEQANMLVDHETDA-UHFFFAOYSA-N 1 3 374.573 3.414 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501573139 503041802 /nfs/dbraw/zinc/04/18/02/503041802.db2.gz GEQANMLVDHETDA-UHFFFAOYSA-N 1 3 374.573 3.414 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N(C)C ZINC000497835706 503051551 /nfs/dbraw/zinc/05/15/51/503051551.db2.gz KEEDKSPZOZTHNG-LQWHRVPQSA-N 1 3 372.557 3.302 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N(C)C ZINC000497835706 503051556 /nfs/dbraw/zinc/05/15/56/503051556.db2.gz KEEDKSPZOZTHNG-LQWHRVPQSA-N 1 3 372.557 3.302 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000514202456 503111381 /nfs/dbraw/zinc/11/13/81/503111381.db2.gz YDFOYJRBDKYKON-NRFANRHFSA-N 1 3 374.573 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942316 503112591 /nfs/dbraw/zinc/11/25/91/503112591.db2.gz LGSDSSUTSANQNF-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000514564190 503137603 /nfs/dbraw/zinc/13/76/03/503137603.db2.gz CDIMULUMFGOJED-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711944 503159361 /nfs/dbraw/zinc/15/93/61/503159361.db2.gz RZHOCVNCQSZIAR-HXUWFJFHSA-N 1 3 364.578 3.158 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000502215602 503164099 /nfs/dbraw/zinc/16/40/99/503164099.db2.gz NVHCIOQPAVEGIS-UHFFFAOYSA-N 1 3 364.578 3.158 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000502267521 503171622 /nfs/dbraw/zinc/17/16/22/503171622.db2.gz MAZMMWDXKNSPIM-SFHVURJKSA-N 1 3 362.518 3.013 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000502267521 503171625 /nfs/dbraw/zinc/17/16/25/503171625.db2.gz MAZMMWDXKNSPIM-SFHVURJKSA-N 1 3 362.518 3.013 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414388 503183058 /nfs/dbraw/zinc/18/30/58/503183058.db2.gz PHJKYHAKCNKFSS-QCLGFWRNSA-N 1 3 362.518 3.023 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414388 503183061 /nfs/dbraw/zinc/18/30/61/503183061.db2.gz PHJKYHAKCNKFSS-QCLGFWRNSA-N 1 3 362.518 3.023 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929526 503196195 /nfs/dbraw/zinc/19/61/95/503196195.db2.gz GCZAMODEXHFBLJ-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929526 503196198 /nfs/dbraw/zinc/19/61/98/503196198.db2.gz GCZAMODEXHFBLJ-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490971300 503253622 /nfs/dbraw/zinc/25/36/22/503253622.db2.gz WBCPGKMGLQQUGG-CTNGQTDRSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490971300 503253623 /nfs/dbraw/zinc/25/36/23/503253623.db2.gz WBCPGKMGLQQUGG-CTNGQTDRSA-N 1 3 359.558 3.179 20 0 FGADHO Cc1ccc(SCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1C ZINC000490997886 503258208 /nfs/dbraw/zinc/25/82/08/503258208.db2.gz UDVYSMXMFGBPJY-CTNGQTDRSA-N 1 3 361.599 3.353 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109624 503274262 /nfs/dbraw/zinc/27/42/62/503274262.db2.gz TXVUUBVFNOYSIU-GCGJSEPQSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109624 503274264 /nfs/dbraw/zinc/27/42/64/503274264.db2.gz TXVUUBVFNOYSIU-GCGJSEPQSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000502861707 503292054 /nfs/dbraw/zinc/29/20/54/503292054.db2.gz LHTZGGZSWOQVIH-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000502861707 503292057 /nfs/dbraw/zinc/29/20/57/503292057.db2.gz LHTZGGZSWOQVIH-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000498918993 503293404 /nfs/dbraw/zinc/29/34/04/503293404.db2.gz NFXXDTHGQWAGQS-NRFANRHFSA-N 1 3 359.558 3.274 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498918993 503293410 /nfs/dbraw/zinc/29/34/10/503293410.db2.gz NFXXDTHGQWAGQS-NRFANRHFSA-N 1 3 359.558 3.274 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943019 503312368 /nfs/dbraw/zinc/31/23/68/503312368.db2.gz YJORUQUKKHVRPM-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO CSc1cc2c(cc1CN1CCC(CC[NH+](C)C)CC1)OCCO2 ZINC000511505239 503333540 /nfs/dbraw/zinc/33/35/40/503333540.db2.gz CNQZIBZWANWKMW-UHFFFAOYSA-N 1 3 350.528 3.343 20 0 FGADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000499104961 503335467 /nfs/dbraw/zinc/33/54/67/503335467.db2.gz YMBIWNUGJHIBPK-UTKZUKDTSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820017 503406552 /nfs/dbraw/zinc/40/65/52/503406552.db2.gz BJZNIDZHCKRORB-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962980 503424346 /nfs/dbraw/zinc/42/43/46/503424346.db2.gz ZGUUVKTZMCLMRV-IBGZPJMESA-N 1 3 372.557 3.071 20 0 FGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000493734311 503442576 /nfs/dbraw/zinc/44/25/76/503442576.db2.gz FBMCRURXXHYDIJ-AUSIDOKSSA-N 1 3 367.537 3.300 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695283 503459842 /nfs/dbraw/zinc/45/98/42/503459842.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695283 503459847 /nfs/dbraw/zinc/45/98/47/503459847.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 1 3 357.542 3.279 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000512167323 503474312 /nfs/dbraw/zinc/47/43/12/503474312.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 1 3 363.505 3.285 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000512167323 503474318 /nfs/dbraw/zinc/47/43/18/503474318.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 1 3 363.505 3.285 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058827 503480537 /nfs/dbraw/zinc/48/05/37/503480537.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN1Cc1ccccc1 ZINC000494058827 503480542 /nfs/dbraw/zinc/48/05/42/503480542.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 1 3 355.526 3.173 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1Br ZINC000499908733 503508982 /nfs/dbraw/zinc/50/89/82/503508982.db2.gz NVPXBXJSRHPHHA-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1Br ZINC000499908733 503508985 /nfs/dbraw/zinc/50/89/85/503508985.db2.gz NVPXBXJSRHPHHA-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434985 503549778 /nfs/dbraw/zinc/54/97/78/503549778.db2.gz CYUGUICEWSWAEN-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434985 503549781 /nfs/dbraw/zinc/54/97/81/503549781.db2.gz CYUGUICEWSWAEN-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508719401 503550528 /nfs/dbraw/zinc/55/05/28/503550528.db2.gz PIBFTLGYQORWSV-SXLOBPIMSA-N 1 3 352.478 3.327 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000500100828 503554179 /nfs/dbraw/zinc/55/41/79/503554179.db2.gz UUUVSAKTLYIFCZ-UHFFFAOYSA-N 1 3 373.585 3.210 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000500100828 503554182 /nfs/dbraw/zinc/55/41/82/503554182.db2.gz UUUVSAKTLYIFCZ-UHFFFAOYSA-N 1 3 373.585 3.210 20 0 FGADHO CN(CCNC(=O)C1CC[NH+]([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547339 503561755 /nfs/dbraw/zinc/56/17/55/503561755.db2.gz VFDAZLSKPFHRJS-NRFANRHFSA-N 1 3 355.526 3.055 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)CC2 ZINC000508869735 503583437 /nfs/dbraw/zinc/58/34/37/503583437.db2.gz YWTQARDQAIWNFM-FYZZASKESA-N 1 3 372.557 3.335 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)CC2 ZINC000508869735 503583441 /nfs/dbraw/zinc/58/34/41/503583441.db2.gz YWTQARDQAIWNFM-FYZZASKESA-N 1 3 372.557 3.335 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654363 503584672 /nfs/dbraw/zinc/58/46/72/503584672.db2.gz NLDXEWQHELDGDP-UXHICEINSA-N 1 3 357.542 3.108 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654362 503584852 /nfs/dbraw/zinc/58/48/52/503584852.db2.gz NLDXEWQHELDGDP-PMACEKPBSA-N 1 3 357.542 3.108 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578292 503589102 /nfs/dbraw/zinc/58/91/02/503589102.db2.gz POJKTSWPOBQMFQ-XCJLJZCSSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578292 503589103 /nfs/dbraw/zinc/58/91/03/503589103.db2.gz POJKTSWPOBQMFQ-XCJLJZCSSA-N 1 3 357.542 3.276 20 0 FGADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512610836 503594760 /nfs/dbraw/zinc/59/47/60/503594760.db2.gz FJIKJRSQZXWOTG-XUVXKRRUSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512610836 503594765 /nfs/dbraw/zinc/59/47/65/503594765.db2.gz FJIKJRSQZXWOTG-XUVXKRRUSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512610836 503594768 /nfs/dbraw/zinc/59/47/68/503594768.db2.gz FJIKJRSQZXWOTG-XUVXKRRUSA-N 1 3 357.542 3.182 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)N(C)C ZINC000508908440 503596785 /nfs/dbraw/zinc/59/67/85/503596785.db2.gz SLOFVZOENZZDTI-UYAOXDASSA-N 1 3 372.557 3.256 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653203 503603949 /nfs/dbraw/zinc/60/39/49/503603949.db2.gz DEORUCWNVZYMNV-CEXWTWQISA-N 1 3 369.475 3.371 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653203 503603953 /nfs/dbraw/zinc/60/39/53/503603953.db2.gz DEORUCWNVZYMNV-CEXWTWQISA-N 1 3 369.475 3.371 20 0 FGADHO CN(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653203 503603957 /nfs/dbraw/zinc/60/39/57/503603957.db2.gz DEORUCWNVZYMNV-CEXWTWQISA-N 1 3 369.475 3.371 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891642 503631470 /nfs/dbraw/zinc/63/14/70/503631470.db2.gz IMZSVMGGROOMTI-FUHIMQAGSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891642 503631472 /nfs/dbraw/zinc/63/14/72/503631472.db2.gz IMZSVMGGROOMTI-FUHIMQAGSA-N 1 3 357.542 3.311 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500541731 503644449 /nfs/dbraw/zinc/64/44/49/503644449.db2.gz WVFDZNWWCUSRTA-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000517245555 503692735 /nfs/dbraw/zinc/69/27/35/503692735.db2.gz UOIQKIOBQQWWJQ-DZFGPLHGSA-N 1 3 361.574 3.220 20 0 FGADHO CSc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000517265241 503698785 /nfs/dbraw/zinc/69/87/85/503698785.db2.gz ULMKHLLZJNXZRY-UHFFFAOYSA-N 1 3 363.552 3.051 20 0 FGADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000540300315 503731998 /nfs/dbraw/zinc/73/19/98/503731998.db2.gz BAAXWFXCWLSTLV-FQEVSTJZSA-N 1 3 367.965 3.017 20 0 FGADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000540300317 503732194 /nfs/dbraw/zinc/73/21/94/503732194.db2.gz BAAXWFXCWLSTLV-HXUWFJFHSA-N 1 3 367.965 3.017 20 0 FGADHO Cc1cccc(NC(=O)C[C@H](C)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000536857675 503742560 /nfs/dbraw/zinc/74/25/60/503742560.db2.gz KBYWLBBUOYPZEG-IBGZPJMESA-N 1 3 373.541 3.337 20 0 FGADHO CC(C)[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000546592094 503800666 /nfs/dbraw/zinc/80/06/66/503800666.db2.gz OMVZOBAIRZLXDH-RBBKRZOGSA-N 1 3 353.510 3.392 20 0 FGADHO Clc1cc(CCNC2CC[NH+](CC3CC3)CC2)cc2c1OCCO2 ZINC000537111422 503805978 /nfs/dbraw/zinc/80/59/78/503805978.db2.gz WHEDGJOAHGJELG-UHFFFAOYSA-N 1 3 350.890 3.118 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194838 503837068 /nfs/dbraw/zinc/83/70/68/503837068.db2.gz LBBTZHRRCPBFMO-RTWAWAEBSA-N 1 3 357.542 3.485 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194838 503837072 /nfs/dbraw/zinc/83/70/72/503837072.db2.gz LBBTZHRRCPBFMO-RTWAWAEBSA-N 1 3 357.542 3.485 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543644262 503838789 /nfs/dbraw/zinc/83/87/89/503838789.db2.gz HOYIWHHTUFPMBW-OTWHNJEPSA-N 1 3 366.594 3.116 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000543644262 503838795 /nfs/dbraw/zinc/83/87/95/503838795.db2.gz HOYIWHHTUFPMBW-OTWHNJEPSA-N 1 3 366.594 3.116 20 0 FGADHO C[NH+](C)CC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000537212042 503844108 /nfs/dbraw/zinc/84/41/08/503844108.db2.gz IVLGMWADDHDAKL-UHFFFAOYSA-N 1 3 352.906 3.317 20 0 FGADHO C[C@@H]([NH3+])c1ccc(-c2ccc([C@@H](C)N3CCN(CCO)CC3)cc2)cc1F ZINC000527589519 503845013 /nfs/dbraw/zinc/84/50/13/503845013.db2.gz SVZRBZJERVQJRR-IAGOWNOFSA-N 1 3 371.500 3.183 20 0 FGADHO CC(C)C[C@H](N[C@H]1CCc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000540747001 503877519 /nfs/dbraw/zinc/87/75/19/503877519.db2.gz BFOUPEWCSYIXHK-ROUUACIJSA-N 1 3 351.922 3.009 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527655056 503877589 /nfs/dbraw/zinc/87/75/89/503877589.db2.gz XSLSGKRXZLFXCR-OAHLLOKOSA-N 1 3 373.463 3.077 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(CC)CC ZINC000543777247 503887961 /nfs/dbraw/zinc/88/79/61/503887961.db2.gz RMXQGTZDVVLEDS-PWRODBHTSA-N 1 3 360.542 3.327 20 0 FGADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C2CCCCC2)n1 ZINC000530248803 503894589 /nfs/dbraw/zinc/89/45/89/503894589.db2.gz PHUXXILXLFXKCP-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000546874261 503911992 /nfs/dbraw/zinc/91/19/92/503911992.db2.gz KSGWBDJOCWTTJV-UMSONDCASA-N 1 3 362.514 3.004 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792935 503946738 /nfs/dbraw/zinc/94/67/38/503946738.db2.gz YRSSMMZKEFLRDP-HXUWFJFHSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)N1CCCCC1 ZINC000518435112 503984328 /nfs/dbraw/zinc/98/43/28/503984328.db2.gz BJJTYYADONCKFC-FQEVSTJZSA-N 1 3 361.530 3.466 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000537659084 503994499 /nfs/dbraw/zinc/99/44/99/503994499.db2.gz SYWZJEFKEMRPLP-UHFFFAOYSA-N 1 3 356.514 3.195 20 0 FGADHO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527941415 504008395 /nfs/dbraw/zinc/00/83/95/504008395.db2.gz YVQOBGHOLOQULL-SZMVWBNQSA-N 1 3 366.431 3.487 20 0 FGADHO C[C@H](NCc1ccc2cn(C)nc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000527968325 504020815 /nfs/dbraw/zinc/02/08/15/504020815.db2.gz ZLQKZIYTUSOMDC-INIZCTEOSA-N 1 3 352.482 3.365 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000530879890 504118073 /nfs/dbraw/zinc/11/80/73/504118073.db2.gz AFPGQWDOJOPEKB-LSDHHAIUSA-N 1 3 372.340 3.049 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000530913280 504128364 /nfs/dbraw/zinc/12/83/64/504128364.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 1 3 365.521 3.099 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000530913280 504128369 /nfs/dbraw/zinc/12/83/69/504128369.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 1 3 365.521 3.099 20 0 FGADHO Cc1cccc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C)c1 ZINC000530919860 504131235 /nfs/dbraw/zinc/13/12/35/504131235.db2.gz MHKQDKQVFJOVOB-IBGZPJMESA-N 1 3 362.562 3.217 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000528375639 504194715 /nfs/dbraw/zinc/19/47/15/504194715.db2.gz ZOEVFRRCAQUXFG-YPAWHYETSA-N 1 3 369.553 3.231 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000528375639 504194718 /nfs/dbraw/zinc/19/47/18/504194718.db2.gz ZOEVFRRCAQUXFG-YPAWHYETSA-N 1 3 369.553 3.231 20 0 FGADHO CCC[C@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000538306290 504199281 /nfs/dbraw/zinc/19/92/81/504199281.db2.gz NUBHBOUPTLTQSO-IBGZPJMESA-N 1 3 359.558 3.383 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640877 504202491 /nfs/dbraw/zinc/20/24/91/504202491.db2.gz LYFSGLWLHRVOEW-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640877 504202495 /nfs/dbraw/zinc/20/24/95/504202495.db2.gz LYFSGLWLHRVOEW-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519381313 504208063 /nfs/dbraw/zinc/20/80/63/504208063.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519381313 504208066 /nfs/dbraw/zinc/20/80/66/504208066.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 1 3 352.567 3.203 20 0 FGADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393624 504233319 /nfs/dbraw/zinc/23/33/19/504233319.db2.gz BVIQUDCXXNGEHL-DOTOQJQBSA-N 1 3 373.497 3.070 20 0 FGADHO C[C@H](N[C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519568269 504256850 /nfs/dbraw/zinc/25/68/50/504256850.db2.gz QMCHHHZWRMPVEG-XJABCFGWSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](N[C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568269 504256858 /nfs/dbraw/zinc/25/68/58/504256858.db2.gz QMCHHHZWRMPVEG-XJABCFGWSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538508306 504268068 /nfs/dbraw/zinc/26/80/68/504268068.db2.gz HLTVAYQPPSCDDQ-VQIMIIECSA-N 1 3 356.466 3.118 20 0 FGADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985744 504323678 /nfs/dbraw/zinc/32/36/78/504323678.db2.gz LRNSJJQXYIGLAT-NJYVYQBISA-N 1 3 355.570 3.282 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@H+](C)C(C)C ZINC000531689057 504393383 /nfs/dbraw/zinc/39/33/83/504393383.db2.gz HERVOJZAPVGVNQ-AWEZNQCLSA-N 1 3 355.910 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000531689057 504393388 /nfs/dbraw/zinc/39/33/88/504393388.db2.gz HERVOJZAPVGVNQ-AWEZNQCLSA-N 1 3 355.910 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000531689057 504393392 /nfs/dbraw/zinc/39/33/92/504393392.db2.gz HERVOJZAPVGVNQ-AWEZNQCLSA-N 1 3 355.910 3.386 20 0 FGADHO CN1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1c1ccccc1 ZINC000535426964 504432921 /nfs/dbraw/zinc/43/29/21/504432921.db2.gz HMRLSSATMACOPL-CEXWTWQISA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346832 504454344 /nfs/dbraw/zinc/45/43/44/504454344.db2.gz OAMTZJKNNLJVLR-QUCCMNQESA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539072144 504464428 /nfs/dbraw/zinc/46/44/28/504464428.db2.gz MOMZADKXXHYXJB-RTWAWAEBSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(OCCN(C)C)c1 ZINC000531952480 504485856 /nfs/dbraw/zinc/48/58/56/504485856.db2.gz IUNAJPQUJGQPML-QGZVFWFLSA-N 1 3 352.482 3.328 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624258 504488496 /nfs/dbraw/zinc/48/84/96/504488496.db2.gz LQAJWKDZEDOLDQ-PZJWPPBQSA-N 1 3 357.542 3.364 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624258 504488502 /nfs/dbraw/zinc/48/85/02/504488502.db2.gz LQAJWKDZEDOLDQ-PZJWPPBQSA-N 1 3 357.542 3.364 20 0 FGADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cncs3)cc2)C[C@@H]1C ZINC000539223688 504502423 /nfs/dbraw/zinc/50/24/23/504502423.db2.gz JJIVQARNFWFAPO-IRXDYDNUSA-N 1 3 359.539 3.442 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)CCN(C)c1ccncc1)c1ccccc1 ZINC000542784677 504609105 /nfs/dbraw/zinc/60/91/05/504609105.db2.gz WCZAMTFJXCMVOE-QGZVFWFLSA-N 1 3 354.498 3.154 20 0 FGADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971093 504618454 /nfs/dbraw/zinc/61/84/54/504618454.db2.gz BUBCMRQHAKEZII-RTWAWAEBSA-N 1 3 369.553 3.087 20 0 FGADHO C[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971093 504618457 /nfs/dbraw/zinc/61/84/57/504618457.db2.gz BUBCMRQHAKEZII-RTWAWAEBSA-N 1 3 369.553 3.087 20 0 FGADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000529360032 504645220 /nfs/dbraw/zinc/64/52/20/504645220.db2.gz SCERPFHBTPVLMJ-YSIASYRMSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1sccc1Br ZINC000532450975 504655339 /nfs/dbraw/zinc/65/53/39/504655339.db2.gz NQABSGHVSFYZHU-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536170748 504656628 /nfs/dbraw/zinc/65/66/28/504656628.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 1 3 372.557 3.386 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536170748 504656631 /nfs/dbraw/zinc/65/66/31/504656631.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 1 3 372.557 3.386 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1CN1CCCCC1)CC(C)C ZINC000521522321 504752329 /nfs/dbraw/zinc/75/23/29/504752329.db2.gz XZGVGXFNVZQILB-UXHICEINSA-N 1 3 366.594 3.403 20 0 FGADHO CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000562306328 504778951 /nfs/dbraw/zinc/77/89/51/504778951.db2.gz BJTQZDSAXWSFEX-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)CC1 ZINC000552916241 504787087 /nfs/dbraw/zinc/78/70/87/504787087.db2.gz GOISFMCSZDSENO-UHFFFAOYSA-N 1 3 357.498 3.024 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000553098843 504826877 /nfs/dbraw/zinc/82/68/77/504826877.db2.gz ZKGDNFDWWBLOBC-ICSRJNTNSA-N 1 3 373.541 3.106 20 0 FGADHO Brc1ccn2cc(CNCCCCC[NH+]3CCCC3)nc2c1 ZINC000559327129 504835489 /nfs/dbraw/zinc/83/54/89/504835489.db2.gz KKNHSIJZTKURSF-UHFFFAOYSA-N 1 3 365.319 3.453 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772514 504940840 /nfs/dbraw/zinc/94/08/40/504940840.db2.gz DVMYIQUHPYTKGI-HOTGVXAUSA-N 1 3 374.529 3.047 20 0 FGADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000562939786 504994293 /nfs/dbraw/zinc/99/42/93/504994293.db2.gz WFNMNRHTTPEQFK-MSEOUXRUSA-N 1 3 369.553 3.168 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877587 505003490 /nfs/dbraw/zinc/00/34/90/505003490.db2.gz HNROKGJRKKYUAU-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877587 505003494 /nfs/dbraw/zinc/00/34/94/505003494.db2.gz HNROKGJRKKYUAU-AZUAARDMSA-N 1 3 361.493 3.440 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985175 505009331 /nfs/dbraw/zinc/00/93/31/505009331.db2.gz ICVAMZVQXQYEGS-HIFRSBDPSA-N 1 3 361.313 3.055 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988899 505012458 /nfs/dbraw/zinc/01/24/58/505012458.db2.gz CQSSNBIBSJZRBS-HOCLYGCPSA-N 1 3 357.420 3.496 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988899 505012461 /nfs/dbraw/zinc/01/24/61/505012461.db2.gz CQSSNBIBSJZRBS-HOCLYGCPSA-N 1 3 357.420 3.496 20 0 FGADHO CC1(C)CC(NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328041 505024046 /nfs/dbraw/zinc/02/40/46/505024046.db2.gz KJPYHWJPVWYAKB-UYAOXDASSA-N 1 3 360.542 3.340 20 0 FGADHO CC1(C)CC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC(C)(C)N1 ZINC000550328041 505024047 /nfs/dbraw/zinc/02/40/47/505024047.db2.gz KJPYHWJPVWYAKB-UYAOXDASSA-N 1 3 360.542 3.340 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054942 505035190 /nfs/dbraw/zinc/03/51/90/505035190.db2.gz CMXBVCWNXPUMTF-CXAGYDPISA-N 1 3 371.447 3.345 20 0 FGADHO C[N@@H+]1CC[C@@H](NCc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615103 505073694 /nfs/dbraw/zinc/07/36/94/505073694.db2.gz DTRXCQAPYBHGJE-YADHBBJMSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@@H](NCc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615103 505073697 /nfs/dbraw/zinc/07/36/97/505073697.db2.gz DTRXCQAPYBHGJE-YADHBBJMSA-N 1 3 361.493 3.252 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000550623439 505076039 /nfs/dbraw/zinc/07/60/39/505076039.db2.gz YEYWMZGCDKLYEJ-TZMCWYRMSA-N 1 3 372.376 3.114 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089294 505077580 /nfs/dbraw/zinc/07/75/80/505077580.db2.gz UCRFYRDURFLTIL-ZKYQVNSYSA-N 1 3 362.827 3.050 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089294 505077582 /nfs/dbraw/zinc/07/75/82/505077582.db2.gz UCRFYRDURFLTIL-ZKYQVNSYSA-N 1 3 362.827 3.050 20 0 FGADHO CCN(C)C(=O)[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216646 505113343 /nfs/dbraw/zinc/11/33/43/505113343.db2.gz WPHTUSCPQVCRSO-PMACEKPBSA-N 1 3 357.542 3.276 20 0 FGADHO CCN(C)C(=O)[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216646 505113346 /nfs/dbraw/zinc/11/33/46/505113346.db2.gz WPHTUSCPQVCRSO-PMACEKPBSA-N 1 3 357.542 3.276 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239173 505183578 /nfs/dbraw/zinc/18/35/78/505183578.db2.gz NEIOBFXEIMLTNF-NVXWUHKLSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239173 505183582 /nfs/dbraw/zinc/18/35/82/505183582.db2.gz NEIOBFXEIMLTNF-NVXWUHKLSA-N 1 3 373.463 3.370 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781599 505184843 /nfs/dbraw/zinc/18/48/43/505184843.db2.gz FLUZQBYCAOKYSA-QZTJIDSGSA-N 1 3 358.530 3.019 20 0 FGADHO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265436 505188552 /nfs/dbraw/zinc/18/85/52/505188552.db2.gz VKWODOHPQOZXKD-WOJBJXKFSA-N 1 3 358.526 3.072 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211555 505282625 /nfs/dbraw/zinc/28/26/25/505282625.db2.gz GLSQOBDDSGNDSF-VQTJNVASSA-N 1 3 372.557 3.229 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870585 505296576 /nfs/dbraw/zinc/29/65/76/505296576.db2.gz ZTFBSBJWWCDUMD-NNWRFLSQSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000566968287 505326908 /nfs/dbraw/zinc/32/69/08/505326908.db2.gz MPPVMWMAJVZXNX-IPELMVKDSA-N 1 3 353.514 3.334 20 0 FGADHO CC1CC[NH+](C2CCC(NCCS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000564205103 505352780 /nfs/dbraw/zinc/35/27/80/505352780.db2.gz WBNUVBJBKSMYEM-UHFFFAOYSA-N 1 3 364.555 3.093 20 0 FGADHO N[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC000567103018 505363822 /nfs/dbraw/zinc/36/38/22/505363822.db2.gz YVHZAGQMHGPLDI-HSALFYBXSA-N 1 3 361.505 3.157 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364512 /nfs/dbraw/zinc/36/45/12/505364512.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364516 /nfs/dbraw/zinc/36/45/16/505364516.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)N(C)C ZINC000558380531 505371632 /nfs/dbraw/zinc/37/16/32/505371632.db2.gz JMOGXEIMGMYWBB-YLJYHZDGSA-N 1 3 360.546 3.158 20 0 FGADHO C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000552025894 505374129 /nfs/dbraw/zinc/37/41/29/505374129.db2.gz PICFDUIWWZQAAN-DFGXFYAUSA-N 1 3 365.949 3.363 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)cc2cccnc21 ZINC000564319629 505382556 /nfs/dbraw/zinc/38/25/56/505382556.db2.gz LNALLPCHBDNRPX-FQEVSTJZSA-N 1 3 358.505 3.222 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)cc2cccnc21 ZINC000564319629 505382559 /nfs/dbraw/zinc/38/25/59/505382559.db2.gz LNALLPCHBDNRPX-FQEVSTJZSA-N 1 3 358.505 3.222 20 0 FGADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000564324486 505384836 /nfs/dbraw/zinc/38/48/36/505384836.db2.gz HXMOTKWUKZZHCU-FQEVSTJZSA-N 1 3 372.557 3.181 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000558447405 505392922 /nfs/dbraw/zinc/39/29/22/505392922.db2.gz MAYSOWFPKDPMFE-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000552148532 505415653 /nfs/dbraw/zinc/41/56/53/505415653.db2.gz NXXJWJAFGIPNKD-UHFFFAOYSA-N 1 3 374.488 3.259 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000555549725 505454157 /nfs/dbraw/zinc/45/41/57/505454157.db2.gz AGTGQUDMMNGGMK-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)Cc3ccccc3)C2)s1 ZINC000567475675 505475554 /nfs/dbraw/zinc/47/55/54/505475554.db2.gz SUSSAJNYMPTVCQ-WOJBJXKFSA-N 1 3 358.551 3.414 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)Cc3ccccc3)C2)s1 ZINC000567475675 505475558 /nfs/dbraw/zinc/47/55/58/505475558.db2.gz SUSSAJNYMPTVCQ-WOJBJXKFSA-N 1 3 358.551 3.414 20 0 FGADHO Clc1ccccc1[C@H]1CCC[C@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492571 505479650 /nfs/dbraw/zinc/47/96/50/505479650.db2.gz GBGHYHMGPVFCDU-NVXWUHKLSA-N 1 3 359.905 3.351 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976797 505483234 /nfs/dbraw/zinc/48/32/34/505483234.db2.gz SDCRHASFLUGIMT-SFHVURJKSA-N 1 3 373.520 3.064 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976797 505483238 /nfs/dbraw/zinc/48/32/38/505483238.db2.gz SDCRHASFLUGIMT-SFHVURJKSA-N 1 3 373.520 3.064 20 0 FGADHO Clc1ccc([C@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000567581141 505505519 /nfs/dbraw/zinc/50/55/19/505505519.db2.gz YXUANEAOJJLURV-RDJZCZTQSA-N 1 3 359.905 3.351 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)c2)CC1 ZINC000564992844 505566250 /nfs/dbraw/zinc/56/62/50/505566250.db2.gz KQIOTCSNCCDKCB-UIFIKXQLSA-N 1 3 370.541 3.076 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000589221065 506490656 /nfs/dbraw/zinc/49/06/56/506490656.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 1 3 374.573 3.067 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000589221065 506490666 /nfs/dbraw/zinc/49/06/66/506490666.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 1 3 374.573 3.067 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608650979 506649278 /nfs/dbraw/zinc/64/92/78/506649278.db2.gz VQGCYZVBDSVRCQ-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608650979 506649284 /nfs/dbraw/zinc/64/92/84/506649284.db2.gz VQGCYZVBDSVRCQ-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608684900 506664432 /nfs/dbraw/zinc/66/44/32/506664432.db2.gz BHJRDLLFUMMRBX-NRSPTQNISA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684900 506664436 /nfs/dbraw/zinc/66/44/36/506664436.db2.gz BHJRDLLFUMMRBX-NRSPTQNISA-N 1 3 372.557 3.338 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604112931 506718999 /nfs/dbraw/zinc/71/89/99/506718999.db2.gz KEYTVJZGQXBLTN-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604173075 506736336 /nfs/dbraw/zinc/73/63/36/506736336.db2.gz HDTLDXDZDUIEDW-HKBOAZHASA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604173075 506736342 /nfs/dbraw/zinc/73/63/42/506736342.db2.gz HDTLDXDZDUIEDW-HKBOAZHASA-N 1 3 370.541 3.140 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccco1 ZINC000583385013 506750290 /nfs/dbraw/zinc/75/02/90/506750290.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 1 3 361.530 3.215 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccco1 ZINC000583385013 506750294 /nfs/dbraw/zinc/75/02/94/506750294.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 1 3 361.530 3.215 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(I)c1)C2 ZINC000583779706 506967970 /nfs/dbraw/zinc/96/79/70/506967970.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 1 3 370.278 3.348 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(I)c1)C2 ZINC000583779706 506967979 /nfs/dbraw/zinc/96/79/79/506967979.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 1 3 370.278 3.348 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000590817509 506978750 /nfs/dbraw/zinc/97/87/50/506978750.db2.gz MARDXNYHSFXKKG-UHFFFAOYSA-N 1 3 371.909 3.259 20 0 FGADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000583930223 507055730 /nfs/dbraw/zinc/05/57/30/507055730.db2.gz UUNHLPCPUFYYFB-IRLDBZIGSA-N 1 3 358.526 3.048 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C4CC4)CC3)CC2)CC1 ZINC000584062507 507131132 /nfs/dbraw/zinc/13/11/32/507131132.db2.gz QGUDACIUZKYOPW-UHFFFAOYSA-N 1 3 361.574 3.221 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000600844102 507144097 /nfs/dbraw/zinc/14/40/97/507144097.db2.gz SAWRZYJNOPXPIJ-ZWKOTPCHSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844102 507144105 /nfs/dbraw/zinc/14/41/05/507144105.db2.gz SAWRZYJNOPXPIJ-ZWKOTPCHSA-N 1 3 366.575 3.305 20 0 FGADHO C[N@H+](CCNC(=O)NCc1ccccc1CN1CCCCC1)C1CCCC1 ZINC000591405752 507237658 /nfs/dbraw/zinc/23/76/58/507237658.db2.gz VRKBALWEYBKMOZ-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO C[N@@H+](CCNC(=O)NCc1ccccc1CN1CCCCC1)C1CCCC1 ZINC000591405752 507237665 /nfs/dbraw/zinc/23/76/65/507237665.db2.gz VRKBALWEYBKMOZ-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045985 507240943 /nfs/dbraw/zinc/24/09/43/507240943.db2.gz ZAHJGPSWJLOCOA-MOPGFXCFSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000591453145 507256363 /nfs/dbraw/zinc/25/63/63/507256363.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 1 3 361.530 3.010 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000591453145 507256367 /nfs/dbraw/zinc/25/63/67/507256367.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 1 3 361.530 3.010 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243438 507309529 /nfs/dbraw/zinc/30/95/29/507309529.db2.gz MCKCQQMBSZEVLV-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243438 507309536 /nfs/dbraw/zinc/30/95/36/507309536.db2.gz MCKCQQMBSZEVLV-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460449 507357639 /nfs/dbraw/zinc/35/76/39/507357639.db2.gz IAYZTGDWBRTHQV-WIYYLYMNSA-N 1 3 355.482 3.368 20 0 FGADHO FC(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451634 /nfs/dbraw/zinc/45/16/34/507451634.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 1 3 374.422 3.357 20 0 FGADHO FC(F)C(F)(F)COCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451637 /nfs/dbraw/zinc/45/16/37/507451637.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 1 3 374.422 3.357 20 0 FGADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1ccccc1 ZINC000606619781 507455900 /nfs/dbraw/zinc/45/59/00/507455900.db2.gz QYWWIWDVGYRTNT-OAQYLSRUSA-N 1 3 374.573 3.443 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055829 507599951 /nfs/dbraw/zinc/59/99/51/507599951.db2.gz GQKHDHUVHGJLRA-IBGZPJMESA-N 1 3 372.557 3.445 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055829 507599957 /nfs/dbraw/zinc/59/99/57/507599957.db2.gz GQKHDHUVHGJLRA-IBGZPJMESA-N 1 3 372.557 3.445 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)[C@@H]1SC ZINC000592394834 507636949 /nfs/dbraw/zinc/63/69/49/507636949.db2.gz LHQJXSWUZFOPEA-PIKADFDJSA-N 1 3 352.544 3.187 20 0 FGADHO CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000592394834 507636957 /nfs/dbraw/zinc/63/69/57/507636957.db2.gz LHQJXSWUZFOPEA-PIKADFDJSA-N 1 3 352.544 3.187 20 0 FGADHO Fc1ccc(-c2nnn[n-]2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826372915 607750464 /nfs/dbraw/zinc/75/04/64/607750464.db2.gz RGBWYTMIJLGPKW-UHFFFAOYSA-N 1 3 372.492 3.094 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585490 609133174 /nfs/dbraw/zinc/13/31/74/609133174.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585490 609133176 /nfs/dbraw/zinc/13/31/76/609133176.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585490 609133178 /nfs/dbraw/zinc/13/31/78/609133178.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585490 609133179 /nfs/dbraw/zinc/13/31/79/609133179.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 1 3 360.481 3.311 20 0 FGADHO OC1CC[NH+](CCCN[C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092740569 700441123 /nfs/dbraw/zinc/44/11/23/700441123.db2.gz DHGIPRBVLBDAPT-SFHVURJKSA-N 1 3 367.331 3.263 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000122222969 700685983 /nfs/dbraw/zinc/68/59/83/700685983.db2.gz KWOXYTADVBTNDO-FQEVSTJZSA-N 1 3 368.949 3.444 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000122222969 700685984 /nfs/dbraw/zinc/68/59/84/700685984.db2.gz KWOXYTADVBTNDO-FQEVSTJZSA-N 1 3 368.949 3.444 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000123403998 700704313 /nfs/dbraw/zinc/70/43/13/700704313.db2.gz BHGFYWPPJCFLOA-ROUUACIJSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000123403998 700704316 /nfs/dbraw/zinc/70/43/16/700704316.db2.gz BHGFYWPPJCFLOA-ROUUACIJSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000385405792 713983165 /nfs/dbraw/zinc/98/31/65/713983165.db2.gz AEQMXHISTGOOJN-XWTMOSNGSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000385405792 713983166 /nfs/dbraw/zinc/98/31/66/713983166.db2.gz AEQMXHISTGOOJN-XWTMOSNGSA-N 1 3 351.535 3.429 20 0 FGADHO CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505454 714663554 /nfs/dbraw/zinc/66/35/54/714663554.db2.gz CWKUTSJLHARWLG-AWEZNQCLSA-N 1 3 371.978 3.454 20 0 FGADHO CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505454 714663555 /nfs/dbraw/zinc/66/35/55/714663555.db2.gz CWKUTSJLHARWLG-AWEZNQCLSA-N 1 3 371.978 3.454 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120663 715477255 /nfs/dbraw/zinc/47/72/55/715477255.db2.gz DPCQKGXKXCDBMD-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120663 715477261 /nfs/dbraw/zinc/47/72/61/715477261.db2.gz DPCQKGXKXCDBMD-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120663 715477267 /nfs/dbraw/zinc/47/72/67/715477267.db2.gz DPCQKGXKXCDBMD-IRXDYDNUSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626040509 715834675 /nfs/dbraw/zinc/83/46/75/715834675.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 1 3 367.331 3.082 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626040509 715834682 /nfs/dbraw/zinc/83/46/82/715834682.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 1 3 367.331 3.082 20 0 FGADHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1SC ZINC000629590809 716314438 /nfs/dbraw/zinc/31/44/38/716314438.db2.gz PZOSRUKQJKMOBA-KRWDZBQOSA-N 1 3 350.528 3.008 20 0 FGADHO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000644770927 718152350 /nfs/dbraw/zinc/15/23/50/718152350.db2.gz ZQKYSEOYWSQQEY-DYVFJYSZSA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CNC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552315 718367479 /nfs/dbraw/zinc/36/74/79/718367479.db2.gz QSQBDQNYKQBWAQ-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552315 718367480 /nfs/dbraw/zinc/36/74/80/718367480.db2.gz QSQBDQNYKQBWAQ-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccccc3Br)C2)C1 ZINC000650705717 718716780 /nfs/dbraw/zinc/71/67/80/718716780.db2.gz STXRKIDVAWZLNX-INMHGKMJSA-N 1 3 353.304 3.167 20 0 FGADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707930 718717605 /nfs/dbraw/zinc/71/76/05/718717605.db2.gz QDICMGHYXICPAE-ZVZYQTTQSA-N 1 3 352.906 3.457 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3sccc3Br)C2)C1 ZINC000650707682 718717691 /nfs/dbraw/zinc/71/76/91/718717691.db2.gz KSUCRHQELMKLDU-SCRDCRAPSA-N 1 3 359.333 3.229 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CCN ZINC000652354441 718936369 /nfs/dbraw/zinc/93/63/69/718936369.db2.gz YRIMNLNEYHOFDN-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CCN ZINC000652354441 718936370 /nfs/dbraw/zinc/93/63/70/718936370.db2.gz YRIMNLNEYHOFDN-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354441 718936372 /nfs/dbraw/zinc/93/63/72/718936372.db2.gz YRIMNLNEYHOFDN-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N)CCCC1 ZINC000656788797 719471068 /nfs/dbraw/zinc/47/10/68/719471068.db2.gz CQOFRMHNMJKBLX-GFCCVEGCSA-N 1 3 354.292 3.027 20 0 FGADHO FC(F)(F)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)OC1CCCC1 ZINC000657588393 719680186 /nfs/dbraw/zinc/68/01/86/719680186.db2.gz PRVBMWDECYJZBG-MRXNPFEDSA-N 1 3 354.376 3.247 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113508 719759025 /nfs/dbraw/zinc/75/90/25/719759025.db2.gz GYZRMZJLZULGEV-UGKANONSSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113508 719759029 /nfs/dbraw/zinc/75/90/29/719759029.db2.gz GYZRMZJLZULGEV-UGKANONSSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151194 720384389 /nfs/dbraw/zinc/38/43/89/720384389.db2.gz FTVXWLLIYVOYTB-KSSFIOAISA-N 1 3 356.432 3.340 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(s1)CCNC2 ZINC000662439470 720428448 /nfs/dbraw/zinc/42/84/48/720428448.db2.gz CJQOICCZSNTJBE-UHFFFAOYSA-N 1 3 357.523 3.118 20 0 FGADHO Brc1cccc(-c2c[nH]c(CN[C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953701 721004552 /nfs/dbraw/zinc/00/45/52/721004552.db2.gz FOLZCOPSSWKEEY-HNNXBMFYSA-N 1 3 361.287 3.071 20 0 FGADHO CCSc1cccc(F)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667122565 721035032 /nfs/dbraw/zinc/03/50/32/721035032.db2.gz HHSXODDQGVOWFW-AWEZNQCLSA-N 1 3 370.538 3.331 20 0 FGADHO CCSc1cccc(F)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667122565 721035034 /nfs/dbraw/zinc/03/50/34/721035034.db2.gz HHSXODDQGVOWFW-AWEZNQCLSA-N 1 3 370.538 3.331 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)F)ccc1F ZINC000667287483 721067942 /nfs/dbraw/zinc/06/79/42/721067942.db2.gz IPKMPXVQRBMQOV-LBPRGKRZSA-N 1 3 360.424 3.157 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)F)ccc1F ZINC000667287483 721067949 /nfs/dbraw/zinc/06/79/49/721067949.db2.gz IPKMPXVQRBMQOV-LBPRGKRZSA-N 1 3 360.424 3.157 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000667983119 721208807 /nfs/dbraw/zinc/20/88/07/721208807.db2.gz APTWQGXMZQXVBB-UHFFFAOYSA-N 1 3 358.555 3.146 20 0 FGADHO CN(C)c1cccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793538 721490743 /nfs/dbraw/zinc/49/07/43/721490743.db2.gz SKKSCTYPYWQBIQ-UHFFFAOYSA-N 1 3 365.525 3.424 20 0 FGADHO CN(C)c1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793538 721490747 /nfs/dbraw/zinc/49/07/47/721490747.db2.gz SKKSCTYPYWQBIQ-UHFFFAOYSA-N 1 3 365.525 3.424 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600172 721966736 /nfs/dbraw/zinc/96/67/36/721966736.db2.gz JMUJUELSLKRDHJ-SZMVWBNQSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600172 721966737 /nfs/dbraw/zinc/96/67/37/721966737.db2.gz JMUJUELSLKRDHJ-SZMVWBNQSA-N 1 3 356.432 3.073 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3nccs3)cc2)C[C@H]1C ZINC000678733350 721974730 /nfs/dbraw/zinc/97/47/30/721974730.db2.gz IOKNHPYNXBKQMR-CALCHBBNSA-N 1 3 359.539 3.442 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3nccs3)cc2)C[C@H]1C ZINC000678733350 721974731 /nfs/dbraw/zinc/97/47/31/721974731.db2.gz IOKNHPYNXBKQMR-CALCHBBNSA-N 1 3 359.539 3.442 20 0 FGADHO Fc1cccc(CN2CC[C@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995044 722193960 /nfs/dbraw/zinc/19/39/60/722193960.db2.gz RNDDRBZQHKJGBL-QFIPXVFZSA-N 1 3 366.484 3.111 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817953 723542800 /nfs/dbraw/zinc/54/28/00/723542800.db2.gz PQLOFULBBCGVQP-VDGAXYAQSA-N 1 3 368.949 3.274 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817953 723542802 /nfs/dbraw/zinc/54/28/02/723542802.db2.gz PQLOFULBBCGVQP-VDGAXYAQSA-N 1 3 368.949 3.274 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796736800 723652636 /nfs/dbraw/zinc/65/26/36/723652636.db2.gz HPMCCPJLPMLPMW-QAETUUGQSA-N 1 3 358.404 3.081 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796736800 723652638 /nfs/dbraw/zinc/65/26/38/723652638.db2.gz HPMCCPJLPMLPMW-QAETUUGQSA-N 1 3 358.404 3.081 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810485997 725310310 /nfs/dbraw/zinc/31/03/10/725310310.db2.gz HAVXWFCDUWOQGQ-FQEVSTJZSA-N 1 3 355.542 3.073 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818940955 727328358 /nfs/dbraw/zinc/32/83/58/727328358.db2.gz LUABDZBCPXQZQJ-KRWDZBQOSA-N 1 3 373.310 3.258 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccccc1Br ZINC000819278593 727363889 /nfs/dbraw/zinc/36/38/89/727363889.db2.gz RWTISJXVRKJXOW-MQBCKMQZSA-N 1 3 353.304 3.089 20 0 FGADHO C[C@@H]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451875 729176439 /nfs/dbraw/zinc/17/64/39/729176439.db2.gz RHZUYCRGODZUTL-QAPCUYQASA-N 1 3 351.535 3.238 20 0 FGADHO Brc1ccc2nc(CN[C@@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000841078720 730208259 /nfs/dbraw/zinc/20/82/59/730208259.db2.gz JCPSBUNNVLQWSG-CYBMUJFWSA-N 1 3 352.301 3.291 20 0 FGADHO [NH3+]CCCCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000843128562 730589273 /nfs/dbraw/zinc/58/92/73/730589273.db2.gz XCIVDTZODYPBKY-UHFFFAOYSA-N 1 3 351.292 3.448 20 0 FGADHO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000843352957 730610126 /nfs/dbraw/zinc/61/01/26/730610126.db2.gz OQKFWLBSOHXJRV-UHFFFAOYSA-N 1 3 363.811 3.499 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@@H+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539414 /nfs/dbraw/zinc/53/94/14/731539414.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@H+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539419 /nfs/dbraw/zinc/53/94/19/731539419.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCCN([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539423 /nfs/dbraw/zinc/53/94/23/731539423.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCN([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539425 /nfs/dbraw/zinc/53/94/25/731539425.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 1 3 350.547 3.299 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000853097706 731665242 /nfs/dbraw/zinc/66/52/42/731665242.db2.gz BALBEMVPEKUHAF-FQEVSTJZSA-N 1 3 359.901 3.270 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962273 732424832 /nfs/dbraw/zinc/42/48/32/732424832.db2.gz NJYKEXQDOUGRDS-HFTRVMKXSA-N 1 3 367.331 3.084 20 0 FGADHO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218569 735739123 /nfs/dbraw/zinc/73/91/23/735739123.db2.gz KDUNAXMENVWZSB-UHFFFAOYSA-N 1 3 355.873 3.286 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)nn1 ZINC000873247407 735743484 /nfs/dbraw/zinc/74/34/84/735743484.db2.gz MIMRFIKWAANRSO-IBGZPJMESA-N 1 3 353.857 3.157 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCc3ccccc3Br)CC2)C1 ZINC000883433117 737565854 /nfs/dbraw/zinc/56/58/54/737565854.db2.gz IOVWKIUPOIVHPP-SJLPKXTDSA-N 1 3 367.331 3.210 20 0 FGADHO CCS(=O)(=O)c1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886603456 739273917 /nfs/dbraw/zinc/27/39/17/739273917.db2.gz OGRHPJNHHIJVER-UHFFFAOYSA-N 1 3 370.584 3.428 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C[C@@H]1C(F)(F)F ZINC000892622444 740024560 /nfs/dbraw/zinc/02/45/60/740024560.db2.gz PZZRVGGRVDMLST-JONQDZQNSA-N 1 3 364.452 3.218 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893969030 742220425 /nfs/dbraw/zinc/22/04/25/742220425.db2.gz IDHBBJQBTSSEAT-OAHLLOKOSA-N 1 3 363.493 3.199 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@H]1C(F)(F)F ZINC000895587367 742430278 /nfs/dbraw/zinc/43/02/78/742430278.db2.gz QBJJSHZDJLZRPY-QKPAOTATSA-N 1 3 364.452 3.218 20 0 FGADHO C[C@@H](Cc1ccc(Br)c(F)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956952 743905336 /nfs/dbraw/zinc/90/53/36/743905336.db2.gz NYFAJTNCAADUCO-JQWIXIFHSA-N 1 3 365.237 3.354 20 0 FGADHO [NH3+]C[C@@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372006 759107150 /nfs/dbraw/zinc/10/71/50/759107150.db2.gz DWICHGGKMVAQFR-GOEBONIOSA-N 1 3 361.313 3.230 20 0 FGADHO C[C@H](c1cccc(Br)c1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452388 759120564 /nfs/dbraw/zinc/12/05/64/759120564.db2.gz QLGXTXYTFMDBRL-CJNGLKHVSA-N 1 3 353.304 3.340 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657370 759519508 /nfs/dbraw/zinc/51/95/08/759519508.db2.gz OBTKWTHJEVJQMM-KGKJWKRHSA-N 1 3 364.331 3.146 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1Br ZINC000925776954 759534280 /nfs/dbraw/zinc/53/42/80/759534280.db2.gz BKXWVILMUYUJJC-CMPLNLGQSA-N 1 3 363.246 3.353 20 0 FGADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785264 759820885 /nfs/dbraw/zinc/82/08/85/759820885.db2.gz ATXUCPYWNMUXPN-FSUMODHMSA-N 1 3 356.432 3.473 20 0 FGADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785263 759821097 /nfs/dbraw/zinc/82/10/97/759821097.db2.gz ATXUCPYWNMUXPN-FRKNIRMPSA-N 1 3 356.432 3.473 20 0 FGADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736770 /nfs/dbraw/zinc/73/67/70/762736770.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736772 /nfs/dbraw/zinc/73/67/72/762736772.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001027418670 766092663 /nfs/dbraw/zinc/09/26/63/766092663.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001027418670 766092669 /nfs/dbraw/zinc/09/26/69/766092669.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 1 3 363.571 3.210 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001027416324 766093210 /nfs/dbraw/zinc/09/32/10/766093210.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001027416324 766093218 /nfs/dbraw/zinc/09/32/18/766093218.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033836836 766223524 /nfs/dbraw/zinc/22/35/24/766223524.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033836836 766223528 /nfs/dbraw/zinc/22/35/28/766223528.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001034216689 766232703 /nfs/dbraw/zinc/23/27/03/766232703.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 1 3 363.571 3.258 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001034216689 766232704 /nfs/dbraw/zinc/23/27/04/766232704.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 1 3 363.571 3.258 20 0 FGADHO C[NH+](C)Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000044277299 257340515 /nfs/dbraw/zinc/34/05/15/257340515.db2.gz BWNSJYOWEPVPCP-UHFFFAOYSA-N 1 3 366.509 3.488 20 0 FGADHO O=C(NC1CC[NH+](C2CCC2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000297145230 257383112 /nfs/dbraw/zinc/38/31/12/257383112.db2.gz LNWKTUVPSHGFDD-UHFFFAOYSA-N 1 3 355.526 3.032 20 0 FGADHO CCCn1c2ccccc2nc1CN(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000576865147 505612678 /nfs/dbraw/zinc/61/26/78/505612678.db2.gz YXKYXGBOCKDWDM-IBGZPJMESA-N 1 3 371.573 3.294 20 0 FGADHO CCCn1c2ccccc2nc1CN(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000576865147 505612680 /nfs/dbraw/zinc/61/26/80/505612680.db2.gz YXKYXGBOCKDWDM-IBGZPJMESA-N 1 3 371.573 3.294 20 0 FGADHO CSc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000579930012 505648680 /nfs/dbraw/zinc/64/86/80/505648680.db2.gz LATKOSOYUXIKES-IBGZPJMESA-N 1 3 370.522 3.436 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302479 505661938 /nfs/dbraw/zinc/66/19/38/505661938.db2.gz CGMOETLUKVLWEA-ILWGZMRPSA-N 1 3 372.553 3.320 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332344 493867697 /nfs/dbraw/zinc/86/76/97/493867697.db2.gz JRJZXLMJZSEFDG-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332344 493867699 /nfs/dbraw/zinc/86/76/99/493867699.db2.gz JRJZXLMJZSEFDG-OAHLLOKOSA-N 1 3 370.900 3.359 20 0 FGADHO Cc1ccc(CCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797457 493935293 /nfs/dbraw/zinc/93/52/93/493935293.db2.gz UUVBNRKNKAIPDX-UHFFFAOYSA-N 1 3 371.569 3.383 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@H](C)O1 ZINC000084656584 494091005 /nfs/dbraw/zinc/09/10/05/494091005.db2.gz FHMQUKZAUCFKCY-IYBDPMFKSA-N 1 3 360.527 3.184 20 0 FGADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044378 494120214 /nfs/dbraw/zinc/12/02/14/494120214.db2.gz YXGXLTCGEJTIIL-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2OCCN(C)C)c1 ZINC000065881145 494251686 /nfs/dbraw/zinc/25/16/86/494251686.db2.gz ARNIXEFYPLJHJK-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2OCCN(C)C)c1 ZINC000065881145 494251690 /nfs/dbraw/zinc/25/16/90/494251690.db2.gz ARNIXEFYPLJHJK-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)CCN(C)C)c2)cc1 ZINC000065981529 494264832 /nfs/dbraw/zinc/26/48/32/494264832.db2.gz GJFGYLXIFWAKSI-MRXNPFEDSA-N 1 3 355.482 3.377 20 0 FGADHO O=C(CCC[NH2+]C1CCN(C2CCCC2)CC1)N1CCc2ccccc21 ZINC000089597680 494328654 /nfs/dbraw/zinc/32/86/54/494328654.db2.gz YLOMEIKXIPDQKN-UHFFFAOYSA-N 1 3 355.526 3.353 20 0 FGADHO O=C(CCCNC1CC[NH+](C2CCCC2)CC1)N1CCc2ccccc21 ZINC000089597680 494328657 /nfs/dbraw/zinc/32/86/57/494328657.db2.gz YLOMEIKXIPDQKN-UHFFFAOYSA-N 1 3 355.526 3.353 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000073415402 494368808 /nfs/dbraw/zinc/36/88/08/494368808.db2.gz QGJSVACOTOXXOY-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000073494884 494379473 /nfs/dbraw/zinc/37/94/73/494379473.db2.gz LHURKLYFXPQWJD-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045192667 494405193 /nfs/dbraw/zinc/40/51/93/494405193.db2.gz OTVJTWCQOHJKGN-LEWJYISDSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045192667 494405194 /nfs/dbraw/zinc/40/51/94/494405194.db2.gz OTVJTWCQOHJKGN-LEWJYISDSA-N 1 3 370.541 3.099 20 0 FGADHO CCCN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000073843748 494437769 /nfs/dbraw/zinc/43/77/69/494437769.db2.gz VMRJSASUEWWBHI-UHFFFAOYSA-N 1 3 369.303 3.184 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000073895172 494443869 /nfs/dbraw/zinc/44/38/69/494443869.db2.gz RJRLOZCLNXLONF-HXUWFJFHSA-N 1 3 356.510 3.384 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000073895172 494443876 /nfs/dbraw/zinc/44/38/76/494443876.db2.gz RJRLOZCLNXLONF-HXUWFJFHSA-N 1 3 356.510 3.384 20 0 FGADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000090964762 494506426 /nfs/dbraw/zinc/50/64/26/494506426.db2.gz QFMJLBHWWYMHDY-LPHOPBHVSA-N 1 3 370.493 3.290 20 0 FGADHO C[NH+](C)CCC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056521761 494520106 /nfs/dbraw/zinc/52/01/06/494520106.db2.gz GWKNWWZRIDBARP-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046368013 494521923 /nfs/dbraw/zinc/52/19/23/494521923.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000046368013 494521926 /nfs/dbraw/zinc/52/19/26/494521926.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 1 3 372.557 3.024 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303472 505728073 /nfs/dbraw/zinc/72/80/73/505728073.db2.gz BFNJKAOVUVCYDE-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccc(Cl)cc1 ZINC000580304694 505728470 /nfs/dbraw/zinc/72/84/70/505728470.db2.gz SQDIFDCUMHULNC-FQEVSTJZSA-N 1 3 374.912 3.465 20 0 FGADHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000580315350 505730962 /nfs/dbraw/zinc/73/09/62/505730962.db2.gz DPMIAHRIOUSJSV-IBGZPJMESA-N 1 3 364.493 3.018 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166881 494622632 /nfs/dbraw/zinc/62/26/32/494622632.db2.gz HNGNQYSISDRFTB-NQIIRXRSSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000092587031 494676831 /nfs/dbraw/zinc/67/68/31/494676831.db2.gz SENHHSOEVHIBDA-OALUTQOASA-N 1 3 368.525 3.194 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@H]21 ZINC000580340627 505736782 /nfs/dbraw/zinc/73/67/82/505736782.db2.gz VLJPTCBURZVZDZ-IXDOHACOSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@H]21 ZINC000580340627 505736783 /nfs/dbraw/zinc/73/67/83/505736783.db2.gz VLJPTCBURZVZDZ-IXDOHACOSA-N 1 3 360.889 3.395 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075329087 494732261 /nfs/dbraw/zinc/73/22/61/494732261.db2.gz CYGPJOUVRYKYMB-INIZCTEOSA-N 1 3 357.498 3.298 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000075329087 494732272 /nfs/dbraw/zinc/73/22/72/494732272.db2.gz CYGPJOUVRYKYMB-INIZCTEOSA-N 1 3 357.498 3.298 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000131830773 494747608 /nfs/dbraw/zinc/74/76/08/494747608.db2.gz POFITHANPKJOHG-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCn2ccnc2C)CC1 ZINC000571483589 505743206 /nfs/dbraw/zinc/74/32/06/505743206.db2.gz GDRXZKWUFRQYSY-UHFFFAOYSA-N 1 3 369.557 3.246 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCn2ccnc2C)CC1 ZINC000571483589 505743209 /nfs/dbraw/zinc/74/32/09/505743209.db2.gz GDRXZKWUFRQYSY-UHFFFAOYSA-N 1 3 369.557 3.246 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)C[NH+](C)C ZINC000132100512 494819798 /nfs/dbraw/zinc/81/97/98/494819798.db2.gz KPSRFPDQYDTQTE-HNNXBMFYSA-N 1 3 353.938 3.254 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746265 /nfs/dbraw/zinc/74/62/65/505746265.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 1 3 350.462 3.369 20 0 FGADHO c1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746269 /nfs/dbraw/zinc/74/62/69/505746269.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 1 3 350.462 3.369 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@@H](C)O1 ZINC000093844288 494927084 /nfs/dbraw/zinc/92/70/84/494927084.db2.gz YYHDVHVXVGHFOZ-IAGOWNOFSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000122131668 494929356 /nfs/dbraw/zinc/92/93/56/494929356.db2.gz QUESMYGXIZZPRE-ZWKOTPCHSA-N 1 3 352.544 3.093 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCCC[C@H]1C ZINC000122131668 494929359 /nfs/dbraw/zinc/92/93/59/494929359.db2.gz QUESMYGXIZZPRE-ZWKOTPCHSA-N 1 3 352.544 3.093 20 0 FGADHO CCCC[C@@H](CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127474060 494950141 /nfs/dbraw/zinc/95/01/41/494950141.db2.gz ZNXOFDFLNGIAEV-QGZVFWFLSA-N 1 3 352.567 3.061 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000133281204 494994581 /nfs/dbraw/zinc/99/45/81/494994581.db2.gz WKTCQLUYPKSAPR-JOCHJYFZSA-N 1 3 371.500 3.179 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000133281013 494994591 /nfs/dbraw/zinc/99/45/91/494994591.db2.gz WKTCQLUYPKSAPR-QFIPXVFZSA-N 1 3 371.500 3.179 20 0 FGADHO Cc1cc2cc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992695 495028521 /nfs/dbraw/zinc/02/85/21/495028521.db2.gz MDNKJWJBBXHELJ-IRXDYDNUSA-N 1 3 357.498 3.288 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144381 495061880 /nfs/dbraw/zinc/06/18/80/495061880.db2.gz FEOKPVRXIBNEMH-GDBMZVCRSA-N 1 3 360.420 3.329 20 0 FGADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128298787 495075357 /nfs/dbraw/zinc/07/53/57/495075357.db2.gz FQCXCFZMHUEZTM-LJQANCHMSA-N 1 3 374.573 3.144 20 0 FGADHO CN(C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111518853 495084735 /nfs/dbraw/zinc/08/47/35/495084735.db2.gz XQOQRPITRNXSAZ-HXUWFJFHSA-N 1 3 360.546 3.245 20 0 FGADHO C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000128959523 495174779 /nfs/dbraw/zinc/17/47/79/495174779.db2.gz RBXFNGWCSDTWBG-UTKZUKDTSA-N 1 3 367.493 3.083 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C1CC1 ZINC000119529419 495183438 /nfs/dbraw/zinc/18/34/38/495183438.db2.gz LQUVSDMJUJFQJH-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C1CC1 ZINC000119529419 495183442 /nfs/dbraw/zinc/18/34/42/495183442.db2.gz LQUVSDMJUJFQJH-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCN3CCCC3)cc2)CC1 ZINC000112742428 495234147 /nfs/dbraw/zinc/23/41/47/495234147.db2.gz HOSTUMCGSYOPBB-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749882 495236491 /nfs/dbraw/zinc/23/64/91/495236491.db2.gz NZTPKQUPUMEMMB-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO CCCN1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000119780122 495239779 /nfs/dbraw/zinc/23/97/79/495239779.db2.gz SUMSRHGFAUPVIX-HXUWFJFHSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000113901155 495334486 /nfs/dbraw/zinc/33/44/86/495334486.db2.gz CDCAJZCPKRASND-ICSRJNTNSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000113901155 495334488 /nfs/dbraw/zinc/33/44/88/495334488.db2.gz CDCAJZCPKRASND-ICSRJNTNSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105113069 495337705 /nfs/dbraw/zinc/33/77/05/495337705.db2.gz HPDCILBTUXGVRD-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105113069 495337708 /nfs/dbraw/zinc/33/77/08/495337708.db2.gz HPDCILBTUXGVRD-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000105204391 495345499 /nfs/dbraw/zinc/34/54/99/495345499.db2.gz SNOPJGISTCPCGL-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO O[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124830371 495350825 /nfs/dbraw/zinc/35/08/25/495350825.db2.gz YULNEVOQAOPXGN-OAQYLSRUSA-N 1 3 360.448 3.295 20 0 FGADHO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000130465652 495395723 /nfs/dbraw/zinc/39/57/23/495395723.db2.gz BEJZOMXUDMTHDY-UTKZUKDTSA-N 1 3 371.525 3.412 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136860279 495406151 /nfs/dbraw/zinc/40/61/51/495406151.db2.gz KDNIHESSEFAQLM-LJQANCHMSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136860279 495406157 /nfs/dbraw/zinc/40/61/57/495406157.db2.gz KDNIHESSEFAQLM-LJQANCHMSA-N 1 3 364.578 3.301 20 0 FGADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125513753 495457243 /nfs/dbraw/zinc/45/72/43/495457243.db2.gz GMEYGSADYQGXPH-MRXNPFEDSA-N 1 3 351.560 3.197 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000120939551 495489025 /nfs/dbraw/zinc/48/90/25/495489025.db2.gz AYFXQTPFDNXAIW-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000120939551 495489029 /nfs/dbraw/zinc/48/90/29/495489029.db2.gz AYFXQTPFDNXAIW-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131096895 495491216 /nfs/dbraw/zinc/49/12/16/495491216.db2.gz PENFBUXTLICMJI-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000131154682 495499874 /nfs/dbraw/zinc/49/98/74/495499874.db2.gz CNEFMPISFXQECS-CQSZACIVSA-N 1 3 352.910 3.162 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125873098 495511668 /nfs/dbraw/zinc/51/16/68/495511668.db2.gz MBLDADWULYNRTO-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@H](CCNC(=O)c1ccc(CN(C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000173593217 495603355 /nfs/dbraw/zinc/60/33/55/495603355.db2.gz TVFYFRUVGXZFES-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@H](CCNC(=O)c1ccc(CN(C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593217 495603358 /nfs/dbraw/zinc/60/33/58/495603358.db2.gz TVFYFRUVGXZFES-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529654 495644505 /nfs/dbraw/zinc/64/45/05/495644505.db2.gz YKPLULZTLMYZDE-INIZCTEOSA-N 1 3 355.473 3.356 20 0 FGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159068413 495649123 /nfs/dbraw/zinc/64/91/23/495649123.db2.gz HSAFDIUKBPKCJA-INIZCTEOSA-N 1 3 374.529 3.122 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CN1C1CC1 ZINC000154629467 495676877 /nfs/dbraw/zinc/67/68/77/495676877.db2.gz MPAHTIYHRDNKKW-FXAWDEMLSA-N 1 3 370.541 3.097 20 0 FGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869573 505796858 /nfs/dbraw/zinc/79/68/58/505796858.db2.gz UITIKFALLACQSP-UAGQMJEPSA-N 1 3 369.431 3.056 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176516228 495679340 /nfs/dbraw/zinc/67/93/40/495679340.db2.gz XMSUVANVZSMETP-SXLOBPIMSA-N 1 3 372.557 3.384 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000150952772 495692357 /nfs/dbraw/zinc/69/23/57/495692357.db2.gz LJQZDIWVTUXKCK-SFHVURJKSA-N 1 3 366.347 3.052 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000171039150 495699042 /nfs/dbraw/zinc/69/90/42/495699042.db2.gz LSFKVMSZZHQXON-OAQYLSRUSA-N 1 3 372.557 3.339 20 0 FGADHO Cc1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)sc1Br ZINC000577834795 505800679 /nfs/dbraw/zinc/80/06/79/505800679.db2.gz YRGYBUYCODRHAU-AWEZNQCLSA-N 1 3 374.392 3.497 20 0 FGADHO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962189 495775926 /nfs/dbraw/zinc/77/59/26/495775926.db2.gz VBBPVPWFSVSGAE-RTBURBONSA-N 1 3 374.573 3.096 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000171305374 495813165 /nfs/dbraw/zinc/81/31/65/495813165.db2.gz SKCFUZNFKIEYSS-SFHVURJKSA-N 1 3 360.546 3.154 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000176917359 495840416 /nfs/dbraw/zinc/84/04/16/495840416.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 1 3 372.509 3.142 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000176917359 495840424 /nfs/dbraw/zinc/84/04/24/495840424.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 1 3 372.509 3.142 20 0 FGADHO c1ccc(-c2noc(CCCN3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000171388371 495851883 /nfs/dbraw/zinc/85/18/83/495851883.db2.gz DMJUZJZIBPTUOK-UHFFFAOYSA-N 1 3 354.498 3.477 20 0 FGADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112602 495862607 /nfs/dbraw/zinc/86/26/07/495862607.db2.gz RLFAQAZIBYGAQC-XSLAUPDRSA-N 1 3 355.526 3.173 20 0 FGADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1 ZINC000571788976 505815313 /nfs/dbraw/zinc/81/53/13/505815313.db2.gz ICWQXAWPOMFIAD-DUEJHXMNSA-N 1 3 355.526 3.455 20 0 FGADHO c1csc(CN2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)c1 ZINC000155494321 495972198 /nfs/dbraw/zinc/97/21/98/495972198.db2.gz IHGDDWDVIVKXOM-UHFFFAOYSA-N 1 3 350.528 3.235 20 0 FGADHO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1cccc(OCCN(C)C)c1 ZINC000180391557 495977909 /nfs/dbraw/zinc/97/79/09/495977909.db2.gz PZJDDYWHRVNSMO-OXQOHEQNSA-N 1 3 367.493 3.404 20 0 FGADHO CN(C[C@@H](O)c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257603 495997010 /nfs/dbraw/zinc/99/70/10/495997010.db2.gz PHRDGCZQRRVZPG-OAQYLSRUSA-N 1 3 373.928 3.407 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600566 496008606 /nfs/dbraw/zinc/00/86/06/496008606.db2.gz DCFJHTIRBJIYOA-MAUKXSAKSA-N 1 3 351.922 3.169 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000568966420 505820304 /nfs/dbraw/zinc/82/03/04/505820304.db2.gz MMSCJSBLNAOZAW-OAQYLSRUSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000568966420 505820309 /nfs/dbraw/zinc/82/03/09/505820309.db2.gz MMSCJSBLNAOZAW-OAQYLSRUSA-N 1 3 372.557 3.470 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902467 496102176 /nfs/dbraw/zinc/10/21/76/496102176.db2.gz QYMJRZRDNQFZDR-XLIONFOSSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCCCN1 ZINC000577946789 505825458 /nfs/dbraw/zinc/82/54/58/505825458.db2.gz RJEKQFCLAVPOPH-UTKZUKDTSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000577946789 505825459 /nfs/dbraw/zinc/82/54/59/505825459.db2.gz RJEKQFCLAVPOPH-UTKZUKDTSA-N 1 3 368.525 3.426 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC[C@@H](O)C(F)(F)F)cc1 ZINC000568991600 505826062 /nfs/dbraw/zinc/82/60/62/505826062.db2.gz TWMKRJLFEQHSTR-GOSISDBHSA-N 1 3 352.400 3.428 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC000161753493 496231993 /nfs/dbraw/zinc/23/19/93/496231993.db2.gz IOUZXHMRETYFPX-HNNXBMFYSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC000161753493 496231998 /nfs/dbraw/zinc/23/19/98/496231998.db2.gz IOUZXHMRETYFPX-HNNXBMFYSA-N 1 3 352.910 3.164 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)NC2CCN(Cc3ccsc3)CC2)c1 ZINC000156538635 496272584 /nfs/dbraw/zinc/27/25/84/496272584.db2.gz SRCDZDLLHCWBNB-UHFFFAOYSA-N 1 3 357.523 3.204 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178157173 496351202 /nfs/dbraw/zinc/35/12/02/496351202.db2.gz XPDMEFHVTPMAPE-INIZCTEOSA-N 1 3 356.514 3.300 20 0 FGADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000178306458 496406869 /nfs/dbraw/zinc/40/68/69/496406869.db2.gz VDBWISHPIDCFGH-KRWDZBQOSA-N 1 3 366.505 3.429 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214799 496482140 /nfs/dbraw/zinc/48/21/40/496482140.db2.gz IYWOJRSXHVGZOV-DOTOQJQBSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214799 496482142 /nfs/dbraw/zinc/48/21/42/496482142.db2.gz IYWOJRSXHVGZOV-DOTOQJQBSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214799 496482147 /nfs/dbraw/zinc/48/21/47/496482147.db2.gz IYWOJRSXHVGZOV-DOTOQJQBSA-N 1 3 351.922 3.008 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000181644034 496483457 /nfs/dbraw/zinc/48/34/57/496483457.db2.gz FSZPLQTXARXGGT-HKUYNNGSSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000181644034 496483461 /nfs/dbraw/zinc/48/34/61/496483461.db2.gz FSZPLQTXARXGGT-HKUYNNGSSA-N 1 3 362.537 3.103 20 0 FGADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932126 505848465 /nfs/dbraw/zinc/84/84/65/505848465.db2.gz ZYBYJXMMXHUHIK-NRFANRHFSA-N 1 3 369.553 3.442 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698391 496544981 /nfs/dbraw/zinc/54/49/81/496544981.db2.gz MOMRKWKXPGUWHH-OAQYLSRUSA-N 1 3 355.530 3.063 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698379 496545019 /nfs/dbraw/zinc/54/50/19/496545019.db2.gz MOMRKWKXPGUWHH-NRFANRHFSA-N 1 3 355.530 3.063 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](N)c1ccccc1 ZINC000178731445 496554203 /nfs/dbraw/zinc/55/42/03/496554203.db2.gz BRVHRRXXUOVGTL-PGRDOPGGSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178742409 496557756 /nfs/dbraw/zinc/55/77/56/496557756.db2.gz AAGHIGDOXIRFFC-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000153768141 496573761 /nfs/dbraw/zinc/57/37/61/496573761.db2.gz SNQKYXMXEGXDEN-UHFFFAOYSA-N 1 3 369.553 3.376 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)cc1Br ZINC000181874869 496581512 /nfs/dbraw/zinc/58/15/12/496581512.db2.gz MLGUMPAIIPTBFF-HIFRSBDPSA-N 1 3 373.335 3.465 20 0 FGADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000175959548 496618983 /nfs/dbraw/zinc/61/89/83/496618983.db2.gz OMFLPAWWRKUZNY-ZDUSSCGKSA-N 1 3 369.962 3.180 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931322 496627348 /nfs/dbraw/zinc/62/73/48/496627348.db2.gz RTLXWWHRCSXNDI-XODKDNOYSA-N 1 3 359.558 3.205 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000173346438 496652693 /nfs/dbraw/zinc/65/26/93/496652693.db2.gz DNQBNCZFWFRYHY-RTBURBONSA-N 1 3 364.578 3.299 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166329269 496683691 /nfs/dbraw/zinc/68/36/91/496683691.db2.gz RXACMQFGWZRBOB-NQIIRXRSSA-N 1 3 357.542 3.274 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226870 496713967 /nfs/dbraw/zinc/71/39/67/496713967.db2.gz JTCCLLIKXOMJLO-OXQOHEQNSA-N 1 3 368.477 3.223 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226870 496713970 /nfs/dbraw/zinc/71/39/70/496713970.db2.gz JTCCLLIKXOMJLO-OXQOHEQNSA-N 1 3 368.477 3.223 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CC1 ZINC000185236393 496713997 /nfs/dbraw/zinc/71/39/97/496713997.db2.gz WSBHXKDFMCMQBJ-KRWDZBQOSA-N 1 3 366.575 3.114 20 0 FGADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000182269920 496723745 /nfs/dbraw/zinc/72/37/45/496723745.db2.gz NOSQITMXGSLBEC-BEFAXECRSA-N 1 3 358.457 3.252 20 0 FGADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000182269920 496723748 /nfs/dbraw/zinc/72/37/48/496723748.db2.gz NOSQITMXGSLBEC-BEFAXECRSA-N 1 3 358.457 3.252 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000247007962 496750518 /nfs/dbraw/zinc/75/05/18/496750518.db2.gz RPMAIBMJRYADFO-QGPMSJSTSA-N 1 3 364.559 3.055 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000247187612 496800496 /nfs/dbraw/zinc/80/04/96/496800496.db2.gz SNHBEYOHMOLPNA-LAUBAEHRSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000247187612 496800499 /nfs/dbraw/zinc/80/04/99/496800499.db2.gz SNHBEYOHMOLPNA-LAUBAEHRSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192551 496801546 /nfs/dbraw/zinc/80/15/46/496801546.db2.gz VTGZSGKJIBKXQT-JKSUJKDBSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192551 496801554 /nfs/dbraw/zinc/80/15/54/496801554.db2.gz VTGZSGKJIBKXQT-JKSUJKDBSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000247224408 496809519 /nfs/dbraw/zinc/80/95/19/496809519.db2.gz RMZASWFNNBIZFW-DYXWJJEUSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCCCC1 ZINC000247224408 496809526 /nfs/dbraw/zinc/80/95/26/496809526.db2.gz RMZASWFNNBIZFW-DYXWJJEUSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000268870868 496810318 /nfs/dbraw/zinc/81/03/18/496810318.db2.gz KDUOBYFUBZMJTI-QUGAMOGWSA-N 1 3 374.550 3.258 20 0 FGADHO CCOc1cc2[nH+]ccc(NCCN3CCCOCC3)c2cc1OCC ZINC000188502684 496812172 /nfs/dbraw/zinc/81/21/72/496812172.db2.gz FWJXOKNDORTZMK-UHFFFAOYSA-N 1 3 359.470 3.166 20 0 FGADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000191564338 496814259 /nfs/dbraw/zinc/81/42/59/496814259.db2.gz FXVHZOPWDVHASO-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063088 496861762 /nfs/dbraw/zinc/86/17/62/496861762.db2.gz KRMRSWJNTHMDBP-QFIPXVFZSA-N 1 3 366.505 3.429 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195407141 496914089 /nfs/dbraw/zinc/91/40/89/496914089.db2.gz NOEFADOYJSEQMV-UHFFFAOYSA-N 1 3 373.566 3.357 20 0 FGADHO CN1CCC[C@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000247969688 496934378 /nfs/dbraw/zinc/93/43/78/496934378.db2.gz HEEFJBAPYDYUSS-ZWKOTPCHSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000247969688 496934381 /nfs/dbraw/zinc/93/43/81/496934381.db2.gz HEEFJBAPYDYUSS-ZWKOTPCHSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988820 496939699 /nfs/dbraw/zinc/93/96/99/496939699.db2.gz JCYNVROJVUMJKU-CRAIPNDOSA-N 1 3 357.523 3.296 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988820 496939703 /nfs/dbraw/zinc/93/97/03/496939703.db2.gz JCYNVROJVUMJKU-CRAIPNDOSA-N 1 3 357.523 3.296 20 0 FGADHO O=C(CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405310 496998073 /nfs/dbraw/zinc/99/80/73/496998073.db2.gz REDGMXHISWQIRE-FDFHNCONSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405310 496998076 /nfs/dbraw/zinc/99/80/76/496998076.db2.gz REDGMXHISWQIRE-FDFHNCONSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405310 496998079 /nfs/dbraw/zinc/99/80/79/496998079.db2.gz REDGMXHISWQIRE-FDFHNCONSA-N 1 3 369.553 3.279 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NC2CCN(C)CC2)CCCC1)c1ccccc1 ZINC000265060681 497039048 /nfs/dbraw/zinc/03/90/48/497039048.db2.gz WHKQSYYHTGNLKG-KRWDZBQOSA-N 1 3 358.530 3.043 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248589108 497049984 /nfs/dbraw/zinc/04/99/84/497049984.db2.gz QSQBPAJJLIGCDS-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248589108 497049986 /nfs/dbraw/zinc/04/99/86/497049986.db2.gz QSQBPAJJLIGCDS-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248589108 497049988 /nfs/dbraw/zinc/04/99/88/497049988.db2.gz QSQBPAJJLIGCDS-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405019 497103251 /nfs/dbraw/zinc/10/32/51/497103251.db2.gz DUVQTNRGGZBMFN-IAGOWNOFSA-N 1 3 374.529 3.122 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405019 497103255 /nfs/dbraw/zinc/10/32/55/497103255.db2.gz DUVQTNRGGZBMFN-IAGOWNOFSA-N 1 3 374.529 3.122 20 0 FGADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822140 497110559 /nfs/dbraw/zinc/11/05/59/497110559.db2.gz XTSJLGMJHIWRGA-LNRXMEIDSA-N 1 3 354.538 3.488 20 0 FGADHO CC(C)(CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236649617 497126149 /nfs/dbraw/zinc/12/61/49/497126149.db2.gz BOHYBWNPRSJAEJ-OAQYLSRUSA-N 1 3 365.521 3.420 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000274647493 497137217 /nfs/dbraw/zinc/13/72/17/497137217.db2.gz CFJIBCYWAREWIX-AEFFLSMTSA-N 1 3 373.541 3.258 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531296 497145988 /nfs/dbraw/zinc/14/59/88/497145988.db2.gz UXGPZTHVOXFLQD-CYBMUJFWSA-N 1 3 359.345 3.254 20 0 FGADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854094 497156519 /nfs/dbraw/zinc/15/65/19/497156519.db2.gz DMPXEBSSMLBGPV-AWEZNQCLSA-N 1 3 370.335 3.488 20 0 FGADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000236854094 497156524 /nfs/dbraw/zinc/15/65/24/497156524.db2.gz DMPXEBSSMLBGPV-AWEZNQCLSA-N 1 3 370.335 3.488 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236882909 497162300 /nfs/dbraw/zinc/16/23/00/497162300.db2.gz PUHSTVBWYQJWEY-AEFFLSMTSA-N 1 3 371.447 3.204 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237073944 497188413 /nfs/dbraw/zinc/18/84/13/497188413.db2.gz HKGGSPOJFKWIBH-ZNXRZULTSA-N 1 3 356.514 3.052 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301496 497190035 /nfs/dbraw/zinc/19/00/35/497190035.db2.gz SAJPEXBBCWGWOP-RTBURBONSA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301496 497190045 /nfs/dbraw/zinc/19/00/45/497190045.db2.gz SAJPEXBBCWGWOP-RTBURBONSA-N 1 3 365.587 3.052 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274885458 497190236 /nfs/dbraw/zinc/19/02/36/497190236.db2.gz IIVNBYUVVROVBC-IRLDBZIGSA-N 1 3 373.585 3.376 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747046 497202518 /nfs/dbraw/zinc/20/25/18/497202518.db2.gz WROFAIVQTOISCH-LZBANZJXSA-N 1 3 365.606 3.462 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747046 497202523 /nfs/dbraw/zinc/20/25/23/497202523.db2.gz WROFAIVQTOISCH-LZBANZJXSA-N 1 3 365.606 3.462 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000192786799 497213877 /nfs/dbraw/zinc/21/38/77/497213877.db2.gz GHXSFSUXJLCUIA-SFHVURJKSA-N 1 3 372.557 3.102 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237409165 497231904 /nfs/dbraw/zinc/23/19/04/497231904.db2.gz KNCKFUWNYRYFTD-DYESRHJHSA-N 1 3 351.494 3.071 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000249734728 497239484 /nfs/dbraw/zinc/23/94/84/497239484.db2.gz DNMFMDXAQGJNJU-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000249734728 497239486 /nfs/dbraw/zinc/23/94/86/497239486.db2.gz DNMFMDXAQGJNJU-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H](N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235777 505894862 /nfs/dbraw/zinc/89/48/62/505894862.db2.gz XNYKBLANJXVWBD-SYYKKAFVSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H](N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235777 505894866 /nfs/dbraw/zinc/89/48/66/505894866.db2.gz XNYKBLANJXVWBD-SYYKKAFVSA-N 1 3 365.521 3.493 20 0 FGADHO NC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000238019383 497327792 /nfs/dbraw/zinc/32/77/92/497327792.db2.gz JUQSEQMOBGOKMM-LQCXBHPOSA-N 1 3 363.505 3.041 20 0 FGADHO NC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000238019383 497327799 /nfs/dbraw/zinc/32/77/99/497327799.db2.gz JUQSEQMOBGOKMM-LQCXBHPOSA-N 1 3 363.505 3.041 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000279212703 497369491 /nfs/dbraw/zinc/36/94/91/497369491.db2.gz YIBFROMDEBBCAO-JXFKEZNVSA-N 1 3 352.482 3.040 20 0 FGADHO COc1cccc2c1CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)C2 ZINC000578277630 505903119 /nfs/dbraw/zinc/90/31/19/505903119.db2.gz HVHPVMFQXKMPOU-LJQANCHMSA-N 1 3 369.509 3.068 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000275845508 497446821 /nfs/dbraw/zinc/44/68/21/497446821.db2.gz KCURCLRCEAMYQY-TZIWHRDSSA-N 1 3 355.530 3.428 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193716946 497456831 /nfs/dbraw/zinc/45/68/31/497456831.db2.gz JIHLQXBQVUZKRZ-HXUWFJFHSA-N 1 3 366.509 3.392 20 0 FGADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193716946 497456834 /nfs/dbraw/zinc/45/68/34/497456834.db2.gz JIHLQXBQVUZKRZ-HXUWFJFHSA-N 1 3 366.509 3.392 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271817114 497459471 /nfs/dbraw/zinc/45/94/71/497459471.db2.gz BPKOZTDSUPUQHQ-CYBMUJFWSA-N 1 3 371.403 3.154 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000276035278 497485746 /nfs/dbraw/zinc/48/57/46/497485746.db2.gz RQXMVPNFBRQRGQ-OAQYLSRUSA-N 1 3 374.573 3.264 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505433 /nfs/dbraw/zinc/50/54/33/497505433.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 1 3 362.514 3.017 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505435 /nfs/dbraw/zinc/50/54/35/497505435.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 1 3 362.514 3.017 20 0 FGADHO CN(c1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000245712043 497512278 /nfs/dbraw/zinc/51/22/78/497512278.db2.gz GENTWLYOYKHBJC-FQEVSTJZSA-N 1 3 370.585 3.135 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209561 497564945 /nfs/dbraw/zinc/56/49/45/497564945.db2.gz PXQPGIXQFQDDOF-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209561 497564949 /nfs/dbraw/zinc/56/49/49/497564949.db2.gz PXQPGIXQFQDDOF-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272209561 497564954 /nfs/dbraw/zinc/56/49/54/497564954.db2.gz PXQPGIXQFQDDOF-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO [NH3+]CC1(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000262617905 497584213 /nfs/dbraw/zinc/58/42/13/497584213.db2.gz CBRGWDRRQILUAD-KRWDZBQOSA-N 1 3 363.571 3.376 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629321 497587655 /nfs/dbraw/zinc/58/76/55/497587655.db2.gz DCQDQLZVUXCWFC-MJLAPFRSSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657725 497593371 /nfs/dbraw/zinc/59/33/71/497593371.db2.gz VGVGVDJNQNAQMX-DYXWJJEUSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262661012 497594662 /nfs/dbraw/zinc/59/46/62/497594662.db2.gz GGUIHWISNRCZDY-PLWAMTLXSA-N 1 3 355.526 3.249 20 0 FGADHO CC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000262660010 497594759 /nfs/dbraw/zinc/59/47/59/497594759.db2.gz FUMHYGNTUSQDNC-ZPMCFJSWSA-N 1 3 365.521 3.276 20 0 FGADHO COc1ccccc1CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000272438639 497630086 /nfs/dbraw/zinc/63/00/86/497630086.db2.gz BXSNVPYVXXXMDH-UHFFFAOYSA-N 1 3 359.558 3.118 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000578354812 505921596 /nfs/dbraw/zinc/92/15/96/505921596.db2.gz HHPJISDTUJNCDZ-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO CC(C)C[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000569388597 505922709 /nfs/dbraw/zinc/92/27/09/505922709.db2.gz XWQPBSUPIRUQSJ-OAQYLSRUSA-N 1 3 359.558 3.206 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000246434331 497733255 /nfs/dbraw/zinc/73/32/55/497733255.db2.gz ODKFMSGVBJRGEF-SPEDKVCISA-N 1 3 356.510 3.270 20 0 FGADHO Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cnn1C(C)C ZINC000191192838 497738977 /nfs/dbraw/zinc/73/89/77/497738977.db2.gz HITQXIGNYLDGFV-GOSISDBHSA-N 1 3 369.557 3.371 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263263932 497745118 /nfs/dbraw/zinc/74/51/18/497745118.db2.gz RHTMMHHYOYBKMY-URVUXULASA-N 1 3 357.542 3.265 20 0 FGADHO CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268539375 497776859 /nfs/dbraw/zinc/77/68/59/497776859.db2.gz SHNYHMSWMBGONZ-FQEVSTJZSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866456 497835806 /nfs/dbraw/zinc/83/58/06/497835806.db2.gz XDTAJGRUYJBORB-JSNMRZPZSA-N 1 3 352.469 3.426 20 0 FGADHO C[C@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000299537593 497839541 /nfs/dbraw/zinc/83/95/41/497839541.db2.gz GMKLRWYNZIQNQD-GOSISDBHSA-N 1 3 372.557 3.038 20 0 FGADHO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000578479531 505949158 /nfs/dbraw/zinc/94/91/58/505949158.db2.gz OBVRGCCUXWEZAD-KSEOMHKRSA-N 1 3 352.526 3.243 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263380 497944741 /nfs/dbraw/zinc/94/47/41/497944741.db2.gz TVBGEZBBZRMUJU-FCHUYYIVSA-N 1 3 369.553 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263380 497944747 /nfs/dbraw/zinc/94/47/47/497944747.db2.gz TVBGEZBBZRMUJU-FCHUYYIVSA-N 1 3 369.553 3.231 20 0 FGADHO Oc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000285358778 498062222 /nfs/dbraw/zinc/06/22/22/498062222.db2.gz VOAAOCFEJOJSQH-RXVVDRJESA-N 1 3 352.478 3.126 20 0 FGADHO Oc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000285358778 498062214 /nfs/dbraw/zinc/06/22/14/498062214.db2.gz VOAAOCFEJOJSQH-RXVVDRJESA-N 1 3 352.478 3.126 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028770 498271596 /nfs/dbraw/zinc/27/15/96/498271596.db2.gz JAOVTHJKGFQEEA-KAOXLYBCSA-N 1 3 372.553 3.054 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000569813701 506022643 /nfs/dbraw/zinc/02/26/43/506022643.db2.gz KZDSPUFGZAVPOM-LJQANCHMSA-N 1 3 369.534 3.225 20 0 FGADHO FC(F)C1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000282044265 498369687 /nfs/dbraw/zinc/36/96/87/498369687.db2.gz UXRKHKCRYFOQTE-UHFFFAOYSA-N 1 3 352.473 3.007 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000365273125 498382501 /nfs/dbraw/zinc/38/25/01/498382501.db2.gz YSPTUYOPCINNJR-YUXAGFNASA-N 1 3 368.525 3.160 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000365273125 498382507 /nfs/dbraw/zinc/38/25/07/498382507.db2.gz YSPTUYOPCINNJR-YUXAGFNASA-N 1 3 368.525 3.160 20 0 FGADHO CCc1c(C)[nH+]c2ccccc2c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000302054483 498387190 /nfs/dbraw/zinc/38/71/90/498387190.db2.gz QDSWIVLPLDWBQL-HXUWFJFHSA-N 1 3 366.509 3.024 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293530243 498404288 /nfs/dbraw/zinc/40/42/88/498404288.db2.gz DTZVPERNIXHUGN-APWZRJJASA-N 1 3 365.477 3.018 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000297356829 498418623 /nfs/dbraw/zinc/41/86/23/498418623.db2.gz FLDXAGLZDCOLTA-WIYYLYMNSA-N 1 3 350.510 3.303 20 0 FGADHO C[C@H]1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000297373574 498425150 /nfs/dbraw/zinc/42/51/50/498425150.db2.gz HWXOVNFMRSUBJH-AVRDEDQJSA-N 1 3 350.510 3.303 20 0 FGADHO CN(Cc1csc(C2CCCC2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362255194 498481761 /nfs/dbraw/zinc/48/17/61/498481761.db2.gz INZLCSCJOCQNGP-LJQANCHMSA-N 1 3 362.587 3.401 20 0 FGADHO C[C@@H]1C[N@H+](CCCN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793197 498490626 /nfs/dbraw/zinc/49/06/26/498490626.db2.gz UNGPLUMHQOZCCR-LVCYWYKZSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]1C[N@@H+](CCCN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793197 498490631 /nfs/dbraw/zinc/49/06/31/498490631.db2.gz UNGPLUMHQOZCCR-LVCYWYKZSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473114 498525864 /nfs/dbraw/zinc/52/58/64/498525864.db2.gz UVDCAVZDNAKRMX-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773496 506048490 /nfs/dbraw/zinc/04/84/90/506048490.db2.gz SFBOWPJTFIBELX-LBPRGKRZSA-N 1 3 350.450 3.292 20 0 FGADHO Cc1cc(OCCC[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1Cl ZINC000282586379 498571111 /nfs/dbraw/zinc/57/11/11/498571111.db2.gz ICPURXYGXRHUBH-MRXNPFEDSA-N 1 3 354.922 3.242 20 0 FGADHO CC(C)(CO)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294097178 498586971 /nfs/dbraw/zinc/58/69/71/498586971.db2.gz BQYICXMLZCNZAU-OAQYLSRUSA-N 1 3 353.510 3.442 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000365709729 498607712 /nfs/dbraw/zinc/60/77/12/498607712.db2.gz FLLRHUXDRSZUIK-YTQPIUFNSA-N 1 3 364.578 3.154 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569986329 506062626 /nfs/dbraw/zinc/06/26/26/506062626.db2.gz SZIFAMNFZNAWJS-IBGZPJMESA-N 1 3 367.493 3.217 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569986329 506062629 /nfs/dbraw/zinc/06/26/29/506062629.db2.gz SZIFAMNFZNAWJS-IBGZPJMESA-N 1 3 367.493 3.217 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000302971101 498634502 /nfs/dbraw/zinc/63/45/02/498634502.db2.gz OAHKOSIAYPIHPN-HXUWFJFHSA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000302971101 498634508 /nfs/dbraw/zinc/63/45/08/498634508.db2.gz OAHKOSIAYPIHPN-HXUWFJFHSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298063929 498654193 /nfs/dbraw/zinc/65/41/93/498654193.db2.gz KIUFZGSAKUIUGP-PGRDOPGGSA-N 1 3 353.510 3.270 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572857715 506069178 /nfs/dbraw/zinc/06/91/78/506069178.db2.gz ROTQSHMIRFKFOI-AZUAARDMSA-N 1 3 360.546 3.069 20 0 FGADHO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(OCCN(C)C)c1 ZINC000287199751 498670019 /nfs/dbraw/zinc/67/00/19/498670019.db2.gz GEPWMGQKBMMDMF-MSOLQXFVSA-N 1 3 374.529 3.026 20 0 FGADHO CC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2n1CCCCC2 ZINC000298235984 498705052 /nfs/dbraw/zinc/70/50/52/498705052.db2.gz BTPYTASMZAZJAM-GOSISDBHSA-N 1 3 354.502 3.109 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000570077657 506084836 /nfs/dbraw/zinc/08/48/36/506084836.db2.gz HMRDLQXLDPASAW-BHDDXSALSA-N 1 3 371.569 3.165 20 0 FGADHO c1ccc(CCN2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000298463325 498780016 /nfs/dbraw/zinc/78/00/16/498780016.db2.gz OJGKYERXZOJPSG-UHFFFAOYSA-N 1 3 364.537 3.347 20 0 FGADHO CC(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000298507726 498796230 /nfs/dbraw/zinc/79/62/30/498796230.db2.gz QUILQHLPYFEHEB-SFHVURJKSA-N 1 3 362.518 3.189 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000298599854 498825409 /nfs/dbraw/zinc/82/54/09/498825409.db2.gz ZCVBZCKYXSTWOY-HNNXBMFYSA-N 1 3 350.466 3.286 20 0 FGADHO C[N@H+](CCSc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000363452667 498828797 /nfs/dbraw/zinc/82/87/97/498828797.db2.gz KNGNSZWXMRZWDW-UHFFFAOYSA-N 1 3 352.519 3.493 20 0 FGADHO C[N@@H+](CCSc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000363452667 498828805 /nfs/dbraw/zinc/82/88/05/498828805.db2.gz KNGNSZWXMRZWDW-UHFFFAOYSA-N 1 3 352.519 3.493 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570184004 506110242 /nfs/dbraw/zinc/11/02/42/506110242.db2.gz JBLSMENZXMOOAS-SFHVURJKSA-N 1 3 370.541 3.452 20 0 FGADHO Cc1ncsc1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000295126507 498918094 /nfs/dbraw/zinc/91/80/94/498918094.db2.gz XZPIDACCNGRICG-UHFFFAOYSA-N 1 3 358.555 3.314 20 0 FGADHO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000573093851 506117589 /nfs/dbraw/zinc/11/75/89/506117589.db2.gz UNDUHXMDFVJXKM-FSSWDIPSSA-N 1 3 369.553 3.074 20 0 FGADHO C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000299149502 498978935 /nfs/dbraw/zinc/97/89/35/498978935.db2.gz YRHTZJJJHSWRLS-BBWFWOEESA-N 1 3 358.530 3.393 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834618 499017451 /nfs/dbraw/zinc/01/74/51/499017451.db2.gz RUPCZKXBXXRPKC-QGZVKYPTSA-N 1 3 374.525 3.388 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834618 499017457 /nfs/dbraw/zinc/01/74/57/499017457.db2.gz RUPCZKXBXXRPKC-QGZVKYPTSA-N 1 3 374.525 3.388 20 0 FGADHO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000366666192 499025929 /nfs/dbraw/zinc/02/59/29/499025929.db2.gz LNDAEKLGDUFJNB-SXLOBPIMSA-N 1 3 373.541 3.069 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302147 499085098 /nfs/dbraw/zinc/08/50/98/499085098.db2.gz ZFOJZJKTNZAFQD-HSZRJFAPSA-N 1 3 371.569 3.228 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302147 499085103 /nfs/dbraw/zinc/08/51/03/499085103.db2.gz ZFOJZJKTNZAFQD-HSZRJFAPSA-N 1 3 371.569 3.228 20 0 FGADHO O=C(C1CC1)N1CCCCC[C@@H]1C1CC[NH+](CCCN2CCCC2)CC1 ZINC000366893753 499108480 /nfs/dbraw/zinc/10/84/80/499108480.db2.gz BPPNGHYJNQVWHU-OAQYLSRUSA-N 1 3 361.574 3.366 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000369882889 499144821 /nfs/dbraw/zinc/14/48/21/499144821.db2.gz NYKFUTGPHAHLDB-YOEHRIQHSA-N 1 3 366.347 3.268 20 0 FGADHO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199369 499160431 /nfs/dbraw/zinc/16/04/31/499160431.db2.gz JJSBDNGCNVMEGZ-MSOLQXFVSA-N 1 3 373.541 3.069 20 0 FGADHO CN(c1ccccc1CNC1CC([NH+]2CCCCC2)C1)C1CCN(C)CC1 ZINC000370110091 499182118 /nfs/dbraw/zinc/18/21/18/499182118.db2.gz DZWDTGJUIMBHCA-UHFFFAOYSA-N 1 3 370.585 3.324 20 0 FGADHO CN(C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367700201 499226055 /nfs/dbraw/zinc/22/60/55/499226055.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 1 3 351.535 3.191 20 0 FGADHO CN(C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367700201 499226056 /nfs/dbraw/zinc/22/60/56/499226056.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 1 3 351.535 3.191 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000370645696 499239452 /nfs/dbraw/zinc/23/94/52/499239452.db2.gz LOZWHRXJMLBGJU-HDICACEKSA-N 1 3 365.587 3.192 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676627 499243280 /nfs/dbraw/zinc/24/32/80/499243280.db2.gz MOROMUSSFUTGSW-NJAFHUGGSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676627 499243281 /nfs/dbraw/zinc/24/32/81/499243281.db2.gz MOROMUSSFUTGSW-NJAFHUGGSA-N 1 3 363.933 3.293 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368028792 499256872 /nfs/dbraw/zinc/25/68/72/499256872.db2.gz GFHHNQCJMUTQLH-UHFFFAOYSA-N 1 3 351.494 3.074 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247494 499277888 /nfs/dbraw/zinc/27/78/88/499277888.db2.gz ZXYQSBKGIRVFAE-YSFYHYPLSA-N 1 3 365.606 3.054 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247494 499277890 /nfs/dbraw/zinc/27/78/90/499277890.db2.gz ZXYQSBKGIRVFAE-YSFYHYPLSA-N 1 3 365.606 3.054 20 0 FGADHO C[C@@H](O)c1ncc(CNCC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368569235 499308626 /nfs/dbraw/zinc/30/86/26/499308626.db2.gz VDWKMXXLXJPTKM-MRXNPFEDSA-N 1 3 359.539 3.241 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)c2ccc(F)cc2C1 ZINC000368630972 499315696 /nfs/dbraw/zinc/31/56/96/499315696.db2.gz HOESACJAZDZKEK-KKSFZXQISA-N 1 3 361.505 3.331 20 0 FGADHO COc1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1OC ZINC000371900408 499376607 /nfs/dbraw/zinc/37/66/07/499376607.db2.gz YFEKHCDDSHBAEY-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO COc1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1OC ZINC000371900408 499376608 /nfs/dbraw/zinc/37/66/08/499376608.db2.gz YFEKHCDDSHBAEY-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO C[NH+]1CCC2(CCCN(Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000369722823 499438922 /nfs/dbraw/zinc/43/89/22/499438922.db2.gz UBMSLMHVCLCZGL-UHFFFAOYSA-N 1 3 359.905 3.229 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000372955570 499444654 /nfs/dbraw/zinc/44/46/54/499444654.db2.gz NZFRPNZWJDALIR-UHFFFAOYSA-N 1 3 361.599 3.412 20 0 FGADHO COC(=O)c1ccc(CNC(C)(C)CCC[NH+](C)C)c(Br)c1 ZINC000395733429 499562840 /nfs/dbraw/zinc/56/28/40/499562840.db2.gz PEUYNNKNCYTWGA-UHFFFAOYSA-N 1 3 371.319 3.446 20 0 FGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296059 499598267 /nfs/dbraw/zinc/59/82/67/499598267.db2.gz LMXDLBDRUICIBK-OTWHNJEPSA-N 1 3 363.546 3.406 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000576409799 506151536 /nfs/dbraw/zinc/15/15/36/506151536.db2.gz CCMOLKYTJZSIDV-KRWDZBQOSA-N 1 3 371.516 3.124 20 0 FGADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000377462349 499693187 /nfs/dbraw/zinc/69/31/87/499693187.db2.gz DLWPWJRHEXWWJZ-YADHBBJMSA-N 1 3 367.537 3.126 20 0 FGADHO COc1ccc(O)cc1[C@H](C)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377642724 499714625 /nfs/dbraw/zinc/71/46/25/499714625.db2.gz CBRVGBLZQVPNEU-KRWDZBQOSA-N 1 3 361.530 3.002 20 0 FGADHO COc1cc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699966 499722128 /nfs/dbraw/zinc/72/21/28/499722128.db2.gz REQGUVHQLFHNTD-MRXNPFEDSA-N 1 3 360.498 3.106 20 0 FGADHO COc1cc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699966 499722129 /nfs/dbraw/zinc/72/21/29/499722129.db2.gz REQGUVHQLFHNTD-MRXNPFEDSA-N 1 3 360.498 3.106 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000411488438 499746840 /nfs/dbraw/zinc/74/68/40/499746840.db2.gz YJUQQTWZMVFVNV-NRFANRHFSA-N 1 3 357.542 3.498 20 0 FGADHO CN1CCC(C[NH2+]C2CCC(c3ccccc3)CC2)(N2CCOCC2)CC1 ZINC000414180489 499766209 /nfs/dbraw/zinc/76/62/09/499766209.db2.gz BGNWYPUBYGOSQK-UHFFFAOYSA-N 1 3 371.569 3.099 20 0 FGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199760 499768172 /nfs/dbraw/zinc/76/81/72/499768172.db2.gz RGOHEGPBGMBTGI-HXUWFJFHSA-N 1 3 373.585 3.129 20 0 FGADHO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000414286105 499774576 /nfs/dbraw/zinc/77/45/76/499774576.db2.gz ITCDLNYRSATSLX-VQIMIIECSA-N 1 3 360.473 3.193 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414299579 499775292 /nfs/dbraw/zinc/77/52/92/499775292.db2.gz UHINCXIEHQXSPN-YYWHXJBOSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299579 499775294 /nfs/dbraw/zinc/77/52/94/499775294.db2.gz UHINCXIEHQXSPN-YYWHXJBOSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299579 499775296 /nfs/dbraw/zinc/77/52/96/499775296.db2.gz UHINCXIEHQXSPN-YYWHXJBOSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414330282 499778281 /nfs/dbraw/zinc/77/82/81/499778281.db2.gz BMAAMZPZLKGAAX-OXQOHEQNSA-N 1 3 357.542 3.298 20 0 FGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552837 499807675 /nfs/dbraw/zinc/80/76/75/499807675.db2.gz HXPONOWKQLMZFZ-LAUBAEHRSA-N 1 3 369.553 3.466 20 0 FGADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1F ZINC000414553631 499807697 /nfs/dbraw/zinc/80/76/97/499807697.db2.gz IVRHOJIHFOYULW-UHFFFAOYSA-N 1 3 369.484 3.121 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000414679192 499819995 /nfs/dbraw/zinc/81/99/95/499819995.db2.gz LKVLYZOIPYVYQB-HNNXBMFYSA-N 1 3 363.552 3.009 20 0 FGADHO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697771 499821199 /nfs/dbraw/zinc/82/11/99/499821199.db2.gz QJGXBAKVFDWCFS-HNAYVOBHSA-N 1 3 351.922 3.166 20 0 FGADHO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697771 499821201 /nfs/dbraw/zinc/82/12/01/499821201.db2.gz QJGXBAKVFDWCFS-HNAYVOBHSA-N 1 3 351.922 3.166 20 0 FGADHO C[C@@H]1C[C@H](CN2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747861 499826301 /nfs/dbraw/zinc/82/63/01/499826301.db2.gz NIFYZVBFJKASFH-CKEIUWERSA-N 1 3 353.304 3.211 20 0 FGADHO C[C@H]1C[C@@H](CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749412 499826507 /nfs/dbraw/zinc/82/65/07/499826507.db2.gz PUBJCKOIZNNKTE-ROUUACIJSA-N 1 3 370.566 3.316 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000414786037 499831136 /nfs/dbraw/zinc/83/11/36/499831136.db2.gz WGRPGZIZPBGBEY-JTQLQIEISA-N 1 3 363.811 3.418 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CCNCC1 ZINC000414786037 499831138 /nfs/dbraw/zinc/83/11/38/499831138.db2.gz WGRPGZIZPBGBEY-JTQLQIEISA-N 1 3 363.811 3.418 20 0 FGADHO COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H](C)C[NH3+])cc1 ZINC000414870269 499839834 /nfs/dbraw/zinc/83/98/34/499839834.db2.gz BXJQIOPRSJSKAY-INIZCTEOSA-N 1 3 350.466 3.232 20 0 FGADHO Cc1cccn2cc(COc3ccc(C[NH2+]CC4(N)CCC4)cc3)nc12 ZINC000414876095 499840365 /nfs/dbraw/zinc/84/03/65/499840365.db2.gz KURNUFFZIRCAFV-UHFFFAOYSA-N 1 3 350.466 3.193 20 0 FGADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000573287988 506161448 /nfs/dbraw/zinc/16/14/48/506161448.db2.gz GGMJOECHFFPCNP-MAUKXSAKSA-N 1 3 358.448 3.491 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@]1(C)CCC[NH2+]C1 ZINC000414919526 499844652 /nfs/dbraw/zinc/84/46/52/499844652.db2.gz XGLQGKHTABGZTR-HNAYVOBHSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919526 499844653 /nfs/dbraw/zinc/84/46/53/499844653.db2.gz XGLQGKHTABGZTR-HNAYVOBHSA-N 1 3 351.922 3.056 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCN1 ZINC000414940938 499846932 /nfs/dbraw/zinc/84/69/32/499846932.db2.gz BZYWEZCPDVCIHQ-PBHICJAKSA-N 1 3 366.347 3.144 20 0 FGADHO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1CN(C)C ZINC000412411462 499852462 /nfs/dbraw/zinc/85/24/62/499852462.db2.gz BOTXCJOKSCTSNK-LJQANCHMSA-N 1 3 361.555 3.213 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415013783 499855077 /nfs/dbraw/zinc/85/50/77/499855077.db2.gz VSRYEDCBJVFGMZ-GBESFXJTSA-N 1 3 364.917 3.376 20 0 FGADHO Cn1c2ccc(C(F)(F)F)cc2nc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023342 499855918 /nfs/dbraw/zinc/85/59/18/499855918.db2.gz KPSRIPMDVLSWDQ-JOCQHMNTSA-N 1 3 354.420 3.447 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CCCC1 ZINC000415043097 499857645 /nfs/dbraw/zinc/85/76/45/499857645.db2.gz ADUQQRDYQKAMSK-KBXCAEBGSA-N 1 3 351.922 3.184 20 0 FGADHO CC(C)N1CCc2nc(CN[C@@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048880 499858003 /nfs/dbraw/zinc/85/80/03/499858003.db2.gz GKOLJUTXGQURLU-KRWDZBQOSA-N 1 3 358.555 3.479 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415072272 499861076 /nfs/dbraw/zinc/86/10/76/499861076.db2.gz VZGWKDPABQFTLZ-TZMCWYRMSA-N 1 3 359.392 3.034 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C1 ZINC000415126051 499867178 /nfs/dbraw/zinc/86/71/78/499867178.db2.gz OVCDFSAFVAYXRQ-WMZOPIPTSA-N 1 3 372.431 3.346 20 0 FGADHO CN(c1ccccc1CN1C[C@H]([NH3+])Cc2ccccc21)C1CCN(C)CC1 ZINC000415137861 499869253 /nfs/dbraw/zinc/86/92/53/499869253.db2.gz NZQKWUJWMGZABU-HXUWFJFHSA-N 1 3 364.537 3.107 20 0 FGADHO C[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000415304738 499885073 /nfs/dbraw/zinc/88/50/73/499885073.db2.gz GEXTWQXZFDIYHE-YLJYHZDGSA-N 1 3 374.529 3.142 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415560512 499902114 /nfs/dbraw/zinc/90/21/14/499902114.db2.gz FXIAYXPDBRKRQZ-IBGZPJMESA-N 1 3 354.498 3.175 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000415915993 499927995 /nfs/dbraw/zinc/92/79/95/499927995.db2.gz GOQKACRJMFLLQX-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000415933264 499930085 /nfs/dbraw/zinc/93/00/85/499930085.db2.gz NVOZHVBHNMZWFP-FQEVSTJZSA-N 1 3 354.498 3.091 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)C ZINC000415945234 499931675 /nfs/dbraw/zinc/93/16/75/499931675.db2.gz KPTFYLUGISJMOH-OXQOHEQNSA-N 1 3 370.497 3.145 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000415967242 499935039 /nfs/dbraw/zinc/93/50/39/499935039.db2.gz BHBVKFTZNCCODL-UHFFFAOYSA-N 1 3 358.511 3.241 20 0 FGADHO CC1(C)CN(C2(CNC(=O)Nc3ccc(C[NH3+])cc3)CCCCC2)CCO1 ZINC000415980623 499936931 /nfs/dbraw/zinc/93/69/31/499936931.db2.gz TTYOSJFEKWPAAP-UHFFFAOYSA-N 1 3 374.529 3.081 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000415987095 499937746 /nfs/dbraw/zinc/93/77/46/499937746.db2.gz WQRUMHFGNXSHPW-SFHVURJKSA-N 1 3 360.889 3.484 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996079 499939028 /nfs/dbraw/zinc/93/90/28/499939028.db2.gz LYNIBBLNZXNYCT-IAGOWNOFSA-N 1 3 356.514 3.408 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996079 499939030 /nfs/dbraw/zinc/93/90/30/499939030.db2.gz LYNIBBLNZXNYCT-IAGOWNOFSA-N 1 3 356.514 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146357 499958203 /nfs/dbraw/zinc/95/82/03/499958203.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 1 3 369.553 3.299 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146357 499958205 /nfs/dbraw/zinc/95/82/05/499958205.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 1 3 369.553 3.299 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000417214092 500007232 /nfs/dbraw/zinc/00/72/32/500007232.db2.gz JZWNBODYQMREOI-IBGZPJMESA-N 1 3 360.546 3.086 20 0 FGADHO COc1cc(Br)c(CNC2CCC([NH+](C)C)CC2)cc1O ZINC000421370478 500030340 /nfs/dbraw/zinc/03/03/40/500030340.db2.gz JHZQZPZEALILEO-UHFFFAOYSA-N 1 3 357.292 3.126 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000417361355 500049428 /nfs/dbraw/zinc/04/94/28/500049428.db2.gz YTLSUQMFAAQWAW-NRFANRHFSA-N 1 3 372.557 3.163 20 0 FGADHO CN(CC[C@@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435873 506173485 /nfs/dbraw/zinc/17/34/85/506173485.db2.gz KWBLWHMEGYEWST-SFTDATJTSA-N 1 3 361.530 3.083 20 0 FGADHO CN(CC[C@@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435873 506173487 /nfs/dbraw/zinc/17/34/87/506173487.db2.gz KWBLWHMEGYEWST-SFTDATJTSA-N 1 3 361.530 3.083 20 0 FGADHO CC[N@H+](CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463258 500112511 /nfs/dbraw/zinc/11/25/11/500112511.db2.gz VXUZQQYCWTVWQW-IBGZPJMESA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463258 500112517 /nfs/dbraw/zinc/11/25/17/500112517.db2.gz VXUZQQYCWTVWQW-IBGZPJMESA-N 1 3 351.579 3.466 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000429686531 500124108 /nfs/dbraw/zinc/12/41/08/500124108.db2.gz ZPPZNSFGOQLHSZ-NHCUHLMSSA-N 1 3 373.585 3.330 20 0 FGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000579449462 506178062 /nfs/dbraw/zinc/17/80/62/506178062.db2.gz ZGSGDGUIFYMDFM-RPBQFNSTSA-N 1 3 366.296 3.180 20 0 FGADHO CN(CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874315 500145078 /nfs/dbraw/zinc/14/50/78/500145078.db2.gz PIERSMKDQORVGZ-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094196 500152032 /nfs/dbraw/zinc/15/20/32/500152032.db2.gz GIMJCMJJLMTCAF-OTWHNJEPSA-N 1 3 370.541 3.280 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094196 500152036 /nfs/dbraw/zinc/15/20/36/500152036.db2.gz GIMJCMJJLMTCAF-OTWHNJEPSA-N 1 3 370.541 3.280 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC([NH3+])CC2)cc1 ZINC000416945493 500163702 /nfs/dbraw/zinc/16/37/02/500163702.db2.gz ABPQSPJJBDAARI-UHFFFAOYSA-N 1 3 366.509 3.048 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2COC(C)(C)C2)cc1OC ZINC000417863759 500186929 /nfs/dbraw/zinc/18/69/29/500186929.db2.gz AYDHTRVKMXHUEM-KRWDZBQOSA-N 1 3 350.503 3.073 20 0 FGADHO CC1=C[C@@H](C)CN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260970 500217415 /nfs/dbraw/zinc/21/74/15/500217415.db2.gz IBCSBPKRLNGMRH-IEBWSBKVSA-N 1 3 355.526 3.054 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426033325 500228961 /nfs/dbraw/zinc/22/89/61/500228961.db2.gz FAJPPQKYJUVSGY-LJQANCHMSA-N 1 3 359.901 3.065 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418148684 500237856 /nfs/dbraw/zinc/23/78/56/500237856.db2.gz ACQUOAWRGBBRAP-IHPCNDPISA-N 1 3 372.557 3.198 20 0 FGADHO CN(C(=O)NC1CCC([NH+](C)C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000422233253 500238442 /nfs/dbraw/zinc/23/84/42/500238442.db2.gz CGNALHBEWXTSAT-UHFFFAOYSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166072 500240438 /nfs/dbraw/zinc/24/04/38/500240438.db2.gz YWFVYJCAIZVTTM-IEBWSBKVSA-N 1 3 360.546 3.104 20 0 FGADHO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418175987 500242821 /nfs/dbraw/zinc/24/28/21/500242821.db2.gz GNDRHSKTYGPAAA-PXNSSMCTSA-N 1 3 360.546 3.228 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000418188929 500245939 /nfs/dbraw/zinc/24/59/39/500245939.db2.gz UYIAZZAJSVDYKA-RZQQEMMASA-N 1 3 354.498 3.197 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418199544 500248337 /nfs/dbraw/zinc/24/83/37/500248337.db2.gz XBLWUISNRNIRDN-CTNGQTDRSA-N 1 3 374.573 3.258 20 0 FGADHO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC(C[NH3+])CC2)cc1 ZINC000430643000 500265424 /nfs/dbraw/zinc/26/54/24/500265424.db2.gz WKFMNMCQTVETSN-HXUWFJFHSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000418355623 500267788 /nfs/dbraw/zinc/26/77/88/500267788.db2.gz PNAUXFVSSUPUQD-OAQYLSRUSA-N 1 3 368.525 3.370 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000418488875 500282683 /nfs/dbraw/zinc/28/26/83/500282683.db2.gz KYIREYFDWVHAGK-UTKZUKDTSA-N 1 3 366.509 3.122 20 0 FGADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752933 500293900 /nfs/dbraw/zinc/29/39/00/500293900.db2.gz BMSKUPDMCLBTBE-MONBJTKQSA-N 1 3 363.505 3.283 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758145 500294272 /nfs/dbraw/zinc/29/42/72/500294272.db2.gz NOLMECKWILWVEQ-YSFYHYPLSA-N 1 3 357.542 3.342 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)cc1 ZINC000422754193 500294570 /nfs/dbraw/zinc/29/45/70/500294570.db2.gz JFUUWQHHLFMRCF-YSZBQJHXSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000422754193 500294573 /nfs/dbraw/zinc/29/45/73/500294573.db2.gz JFUUWQHHLFMRCF-YSZBQJHXSA-N 1 3 367.537 3.380 20 0 FGADHO C[C@H](NC1(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762252 500295074 /nfs/dbraw/zinc/29/50/74/500295074.db2.gz MKIQSFOGPDRELL-DZFGPLHGSA-N 1 3 357.542 3.007 20 0 FGADHO C[C@H]([NH2+]C1(CN[C@H](C2CC2)[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762252 500295082 /nfs/dbraw/zinc/29/50/82/500295082.db2.gz MKIQSFOGPDRELL-DZFGPLHGSA-N 1 3 357.542 3.007 20 0 FGADHO CN(C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430849924 500296039 /nfs/dbraw/zinc/29/60/39/500296039.db2.gz ITLGOECBGWDUGW-OAQYLSRUSA-N 1 3 364.493 3.023 20 0 FGADHO Cc1ccc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786362 500297402 /nfs/dbraw/zinc/29/74/02/500297402.db2.gz QGXPQEIJDMTEHV-QNWVGRARSA-N 1 3 365.521 3.443 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422801439 500300008 /nfs/dbraw/zinc/30/00/08/500300008.db2.gz BXOCIZOHCNIGJN-ZLNRFVROSA-N 1 3 370.585 3.017 20 0 FGADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422814789 500301455 /nfs/dbraw/zinc/30/14/55/500301455.db2.gz WDOPUYQWVVHELW-RJGXRXQPSA-N 1 3 370.585 3.099 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418658157 500302534 /nfs/dbraw/zinc/30/25/34/500302534.db2.gz JDYKGAZBIPTMBE-LJQANCHMSA-N 1 3 374.554 3.302 20 0 FGADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000422821638 500302952 /nfs/dbraw/zinc/30/29/52/500302952.db2.gz XQGWAJAQFRMHSG-NCYKPQTJSA-N 1 3 351.579 3.024 20 0 FGADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418667195 500304589 /nfs/dbraw/zinc/30/45/89/500304589.db2.gz MGPBXGAEABMPJW-VAMGGRTRSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422858801 500306603 /nfs/dbraw/zinc/30/66/03/500306603.db2.gz JHWBVFZYIHWJJE-WTOYTKOKSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000430934385 500309653 /nfs/dbraw/zinc/30/96/53/500309653.db2.gz MDNLMPUOWXRJEL-MSOLQXFVSA-N 1 3 365.521 3.340 20 0 FGADHO COc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890084 500311641 /nfs/dbraw/zinc/31/16/41/500311641.db2.gz RCDQKLUTSLKTEO-QHAWAJNXSA-N 1 3 358.526 3.254 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCOCC1 ZINC000422897227 500313053 /nfs/dbraw/zinc/31/30/53/500313053.db2.gz BNWZMFBGVDSMMH-CRAIPNDOSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422897227 500313056 /nfs/dbraw/zinc/31/30/56/500313056.db2.gz BNWZMFBGVDSMMH-CRAIPNDOSA-N 1 3 366.933 3.375 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905397 500314498 /nfs/dbraw/zinc/31/44/98/500314498.db2.gz IGPVWGXKXWTYOP-SGXKBVARSA-N 1 3 373.491 3.477 20 0 FGADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422905711 500314508 /nfs/dbraw/zinc/31/45/08/500314508.db2.gz IUEUNAGDTDEJRJ-KFKAGJAMSA-N 1 3 356.466 3.329 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906752 500314916 /nfs/dbraw/zinc/31/49/16/500314916.db2.gz AMZMZCJFAPXYER-LBPRGKRZSA-N 1 3 359.424 3.487 20 0 FGADHO CN(C)CCOc1cccc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913003 500315146 /nfs/dbraw/zinc/31/51/46/500315146.db2.gz OUARJIPISMJGQQ-RBBKRZOGSA-N 1 3 367.493 3.295 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000422955035 500323268 /nfs/dbraw/zinc/32/32/68/500323268.db2.gz KMICPTKOVPTRLQ-UKRRQHHQSA-N 1 3 368.319 3.206 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422956344 500323298 /nfs/dbraw/zinc/32/32/98/500323298.db2.gz PMBWGWXDWAXFQN-UKRRQHHQSA-N 1 3 368.319 3.193 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422956344 500323300 /nfs/dbraw/zinc/32/33/00/500323300.db2.gz PMBWGWXDWAXFQN-UKRRQHHQSA-N 1 3 368.319 3.193 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000423020648 500331621 /nfs/dbraw/zinc/33/16/21/500331621.db2.gz CJWSQNKIUGJLCY-WTOYTKOKSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cccc(OCc2ccccc2)c1 ZINC000423020648 500331623 /nfs/dbraw/zinc/33/16/23/500331623.db2.gz CJWSQNKIUGJLCY-WTOYTKOKSA-N 1 3 354.494 3.150 20 0 FGADHO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423027254 500332519 /nfs/dbraw/zinc/33/25/19/500332519.db2.gz REKNKTZRXILZDV-CABCVRRESA-N 1 3 357.498 3.395 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)[C@@H]3CCCCN3)nc12 ZINC000423038252 500333992 /nfs/dbraw/zinc/33/39/92/500333992.db2.gz ODMQMOLOUISWOD-CJNGLKHVSA-N 1 3 365.319 3.068 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423074611 500338809 /nfs/dbraw/zinc/33/88/09/500338809.db2.gz MIIHZXBHFSYYES-JXFKEZNVSA-N 1 3 370.566 3.117 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423160678 500350140 /nfs/dbraw/zinc/35/01/40/500350140.db2.gz MOVLCBMVFYOPAZ-JCGIZDLHSA-N 1 3 369.347 3.158 20 0 FGADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000423324571 500364676 /nfs/dbraw/zinc/36/46/76/500364676.db2.gz HYULZHAYLWGTOJ-SNJCGAMXSA-N 1 3 365.521 3.224 20 0 FGADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000423324573 500365021 /nfs/dbraw/zinc/36/50/21/500365021.db2.gz HYULZHAYLWGTOJ-UDIDDNNKSA-N 1 3 365.521 3.224 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197394 500365709 /nfs/dbraw/zinc/36/57/09/500365709.db2.gz CPNOXWGZCBBILI-AZUAARDMSA-N 1 3 357.542 3.135 20 0 FGADHO FC(F)(F)[C@H](CN[C@@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372808 500367941 /nfs/dbraw/zinc/36/79/41/500367941.db2.gz BJOZUPSUWIXDKU-JKSUJKDBSA-N 1 3 361.477 3.405 20 0 FGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(I)c1 ZINC000423375621 500368025 /nfs/dbraw/zinc/36/80/25/500368025.db2.gz UKEZIVMQYYKVCD-WCQGTBRESA-N 1 3 362.230 3.351 20 0 FGADHO CSc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000423379198 500368780 /nfs/dbraw/zinc/36/87/80/500368780.db2.gz GKCCXMGJKHNYKB-IAQYHMDHSA-N 1 3 365.440 3.034 20 0 FGADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311420 500380171 /nfs/dbraw/zinc/38/01/71/500380171.db2.gz AVZCEMYZAMYJKX-QZTJIDSGSA-N 1 3 363.571 3.417 20 0 FGADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423526016 500382279 /nfs/dbraw/zinc/38/22/79/500382279.db2.gz KXQCDQPXHFXKBN-XPSJVXEXSA-N 1 3 371.525 3.156 20 0 FGADHO CC(C)[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000423545543 500383658 /nfs/dbraw/zinc/38/36/58/500383658.db2.gz CYGFDSNORCNSCK-NRFANRHFSA-N 1 3 352.526 3.362 20 0 FGADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000423582367 500387046 /nfs/dbraw/zinc/38/70/46/500387046.db2.gz ZZFZTUSWSIVVMK-QGZVFWFLSA-N 1 3 367.493 3.059 20 0 FGADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000579518029 506193253 /nfs/dbraw/zinc/19/32/53/506193253.db2.gz DVSWYTXXEOQQLT-WIYYLYMNSA-N 1 3 368.525 3.109 20 0 FGADHO C[C@@H](CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774685 500400832 /nfs/dbraw/zinc/40/08/32/500400832.db2.gz OIKOUKOXKZTCFP-KBXCAEBGSA-N 1 3 351.922 3.085 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957645 500424277 /nfs/dbraw/zinc/42/42/77/500424277.db2.gz AULNIBMPEGENIA-FPOVZHCZSA-N 1 3 355.526 3.275 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299027 500436590 /nfs/dbraw/zinc/43/65/90/500436590.db2.gz GBZSHIGFUHZCIZ-MRXNPFEDSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299027 500436591 /nfs/dbraw/zinc/43/65/91/500436591.db2.gz GBZSHIGFUHZCIZ-MRXNPFEDSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299027 500436593 /nfs/dbraw/zinc/43/65/93/500436593.db2.gz GBZSHIGFUHZCIZ-MRXNPFEDSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297891 500436667 /nfs/dbraw/zinc/43/66/67/500436667.db2.gz DUCKEQGCTSGLCD-ICSRJNTNSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297891 500436670 /nfs/dbraw/zinc/43/66/70/500436670.db2.gz DUCKEQGCTSGLCD-ICSRJNTNSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297891 500436674 /nfs/dbraw/zinc/43/66/74/500436674.db2.gz DUCKEQGCTSGLCD-ICSRJNTNSA-N 1 3 368.477 3.346 20 0 FGADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427873339 500441427 /nfs/dbraw/zinc/44/14/27/500441427.db2.gz KRGWSCRIDCSVEL-MRXNPFEDSA-N 1 3 359.436 3.426 20 0 FGADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884790 500442891 /nfs/dbraw/zinc/44/28/91/500442891.db2.gz HEESBUKEVJTIPN-WOZUAGRISA-N 1 3 350.510 3.088 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367902 500448453 /nfs/dbraw/zinc/44/84/53/500448453.db2.gz AJFJBBXBTMPYIY-MSOLQXFVSA-N 1 3 356.869 3.076 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373707 500450209 /nfs/dbraw/zinc/45/02/09/500450209.db2.gz MXYKRJNDFRPDFU-MOPGFXCFSA-N 1 3 364.493 3.252 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373707 500450212 /nfs/dbraw/zinc/45/02/12/500450212.db2.gz MXYKRJNDFRPDFU-MOPGFXCFSA-N 1 3 364.493 3.252 20 0 FGADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408234 500456698 /nfs/dbraw/zinc/45/66/98/500456698.db2.gz VWUJFIRJYDZWIE-DYVFJYSZSA-N 1 3 353.869 3.272 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406923 500456816 /nfs/dbraw/zinc/45/68/16/500456816.db2.gz UUOBUYUUUYFADX-RHSMWYFYSA-N 1 3 369.431 3.498 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260744 500477165 /nfs/dbraw/zinc/47/71/65/500477165.db2.gz DLYCDCSOYMZGMZ-INIZCTEOSA-N 1 3 353.938 3.417 20 0 FGADHO CCN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296845 500483061 /nfs/dbraw/zinc/48/30/61/500483061.db2.gz SJBMSTRCAKDXRP-IRXDYDNUSA-N 1 3 361.505 3.199 20 0 FGADHO CCN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296841 500483298 /nfs/dbraw/zinc/48/32/98/500483298.db2.gz SJBMSTRCAKDXRP-IAGOWNOFSA-N 1 3 361.505 3.199 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420770439 500496834 /nfs/dbraw/zinc/49/68/34/500496834.db2.gz KEIYLTPHEWARGX-MHJFOBGBSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775073 500498079 /nfs/dbraw/zinc/49/80/79/500498079.db2.gz BLOZZZPVGSCIEH-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000424442256 500505808 /nfs/dbraw/zinc/50/58/08/500505808.db2.gz XUQIEGVOEHXKSI-UHFFFAOYSA-N 1 3 358.461 3.189 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@@H]3CCCN3C)c2)CC1 ZINC000420811007 500507342 /nfs/dbraw/zinc/50/73/42/500507342.db2.gz YZSHBKFMJTWDOZ-NRFANRHFSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417941 500513967 /nfs/dbraw/zinc/51/39/67/500513967.db2.gz PILWFOUPBKQGQS-HOTGVXAUSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417941 500513971 /nfs/dbraw/zinc/51/39/71/500513971.db2.gz PILWFOUPBKQGQS-HOTGVXAUSA-N 1 3 359.514 3.068 20 0 FGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425106 500514690 /nfs/dbraw/zinc/51/46/90/500514690.db2.gz LBGFXSFZKZABIV-SJLPKXTDSA-N 1 3 350.503 3.245 20 0 FGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425106 500514693 /nfs/dbraw/zinc/51/46/93/500514693.db2.gz LBGFXSFZKZABIV-SJLPKXTDSA-N 1 3 350.503 3.245 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCN3CCC2CC3)[NH+](CC)CC)cc1 ZINC000432432903 500515542 /nfs/dbraw/zinc/51/55/42/500515542.db2.gz UHCFCTLGLSFYAH-NRFANRHFSA-N 1 3 372.557 3.122 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CCN(C)CC1 ZINC000576631493 506202301 /nfs/dbraw/zinc/20/23/01/506202301.db2.gz OFSWESOYJSSXRJ-MJGOQNOKSA-N 1 3 363.505 3.395 20 0 FGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442876582 500637564 /nfs/dbraw/zinc/63/75/64/500637564.db2.gz RVIOUULHWJERMT-OAHLLOKOSA-N 1 3 357.464 3.252 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876971 500638447 /nfs/dbraw/zinc/63/84/47/500638447.db2.gz QFSZRCQEOBFMCL-KRWDZBQOSA-N 1 3 366.347 3.052 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000442988745 500659808 /nfs/dbraw/zinc/65/98/08/500659808.db2.gz GRVVTDWBKQQNLK-KRWDZBQOSA-N 1 3 373.463 3.196 20 0 FGADHO CN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064485 500672524 /nfs/dbraw/zinc/67/25/24/500672524.db2.gz YIOFJUNTZBKWHS-IBGZPJMESA-N 1 3 365.521 3.295 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443068987 500673908 /nfs/dbraw/zinc/67/39/08/500673908.db2.gz JCZYCQUZCPRHJL-KSZLIROESA-N 1 3 353.510 3.466 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079602 500676225 /nfs/dbraw/zinc/67/62/25/500676225.db2.gz ZMWRCDKEIHYBCM-STQMWFEESA-N 1 3 358.313 3.231 20 0 FGADHO CC(C)N1CCc2nc(C[NH2+]C[C@@H]3N(C)CCCC3(C)C)sc2C1 ZINC000447897477 500687805 /nfs/dbraw/zinc/68/78/05/500687805.db2.gz NEZGZCLJZZKZMM-KRWDZBQOSA-N 1 3 350.576 3.120 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567997 500713764 /nfs/dbraw/zinc/71/37/64/500713764.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567997 500713767 /nfs/dbraw/zinc/71/37/67/500713767.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 1 3 364.578 3.061 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433940157 500768329 /nfs/dbraw/zinc/76/83/29/500768329.db2.gz JZQDZAVSKMWICD-OAQYLSRUSA-N 1 3 372.557 3.297 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870718 /nfs/dbraw/zinc/87/07/18/500870718.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 1 3 370.541 3.090 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870721 /nfs/dbraw/zinc/87/07/21/500870721.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000439297305 500882907 /nfs/dbraw/zinc/88/29/07/500882907.db2.gz LWSXCPOKDUYPJP-QGZVFWFLSA-N 1 3 368.591 3.188 20 0 FGADHO C[C@@H](CNCCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061314 500914253 /nfs/dbraw/zinc/91/42/53/500914253.db2.gz IFEFLFKMXFEERJ-KRWDZBQOSA-N 1 3 366.571 3.438 20 0 FGADHO C[C@@H](CNCCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061314 500914256 /nfs/dbraw/zinc/91/42/56/500914256.db2.gz IFEFLFKMXFEERJ-KRWDZBQOSA-N 1 3 366.571 3.438 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(CN(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449064617 500915763 /nfs/dbraw/zinc/91/57/63/500915763.db2.gz VIZAONJUAJXQOK-INIZCTEOSA-N 1 3 360.523 3.045 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(COC)CC3)cc2)CC1 ZINC000449082674 500920162 /nfs/dbraw/zinc/92/01/62/500920162.db2.gz OWZMKDJCLZEZQP-UHFFFAOYSA-N 1 3 359.558 3.119 20 0 FGADHO C[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000449106168 500926704 /nfs/dbraw/zinc/92/67/04/500926704.db2.gz HCERKGIYHNYWSU-KRWDZBQOSA-N 1 3 374.479 3.265 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3ccccc3F)s2)CC1 ZINC000449195914 500945569 /nfs/dbraw/zinc/94/55/69/500945569.db2.gz WXSYIKGUCIHCJS-UHFFFAOYSA-N 1 3 363.502 3.274 20 0 FGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195891 500945769 /nfs/dbraw/zinc/94/57/69/500945769.db2.gz WTPCWBMUJVJXIX-IAGOWNOFSA-N 1 3 371.294 3.056 20 0 FGADHO C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000449219597 500950723 /nfs/dbraw/zinc/95/07/23/500950723.db2.gz DOZVHVBHSPUQIO-MRXNPFEDSA-N 1 3 353.466 3.489 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233775 500953948 /nfs/dbraw/zinc/95/39/48/500953948.db2.gz MZIIQRDZJRQHDX-YCRPNKLZSA-N 1 3 360.448 3.425 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247390 500960255 /nfs/dbraw/zinc/96/02/55/500960255.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247390 500960257 /nfs/dbraw/zinc/96/02/57/500960257.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000440104426 500975387 /nfs/dbraw/zinc/97/53/87/500975387.db2.gz LRYQVWJAIXSXJW-JOCHJYFZSA-N 1 3 369.553 3.217 20 0 FGADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449330023 500979485 /nfs/dbraw/zinc/97/94/85/500979485.db2.gz REKQULPBZDUSLL-KRWDZBQOSA-N 1 3 353.501 3.418 20 0 FGADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449330023 500979487 /nfs/dbraw/zinc/97/94/87/500979487.db2.gz REKQULPBZDUSLL-KRWDZBQOSA-N 1 3 353.501 3.418 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc3c(cccc3F)[nH]2)C1 ZINC000436401154 501120841 /nfs/dbraw/zinc/12/08/41/501120841.db2.gz OAJFEJKYZPPCOJ-GOSISDBHSA-N 1 3 353.441 3.163 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc3c(cccc3F)[nH]2)C1 ZINC000436401154 501120843 /nfs/dbraw/zinc/12/08/43/501120843.db2.gz OAJFEJKYZPPCOJ-GOSISDBHSA-N 1 3 353.441 3.163 20 0 FGADHO CCN(Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1)C1CC1 ZINC000446459708 501122656 /nfs/dbraw/zinc/12/26/56/501122656.db2.gz UMXVVWRIKJTHEF-UHFFFAOYSA-N 1 3 355.526 3.275 20 0 FGADHO COc1ccccc1-c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000441347004 501124825 /nfs/dbraw/zinc/12/48/25/501124825.db2.gz ORYNDJDWXZUCJC-UHFFFAOYSA-N 1 3 367.537 3.478 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[NH+]1CCCC1 ZINC000457621545 501270358 /nfs/dbraw/zinc/27/03/58/501270358.db2.gz QCQUSXXRMHUBTG-CTNGQTDRSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000582481314 506246328 /nfs/dbraw/zinc/24/63/28/506246328.db2.gz QRLJQGMMHHRAGF-INIZCTEOSA-N 1 3 354.922 3.241 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407018 501325586 /nfs/dbraw/zinc/32/55/86/501325586.db2.gz RRAJHRNSROWPJL-BAGYTPMASA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407018 501325588 /nfs/dbraw/zinc/32/55/88/501325588.db2.gz RRAJHRNSROWPJL-BAGYTPMASA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407018 501325591 /nfs/dbraw/zinc/32/55/91/501325591.db2.gz RRAJHRNSROWPJL-BAGYTPMASA-N 1 3 350.510 3.218 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000611673541 506250532 /nfs/dbraw/zinc/25/05/32/506250532.db2.gz KZHNPTLKKAMTSB-NRFANRHFSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458486396 501455402 /nfs/dbraw/zinc/45/54/02/501455402.db2.gz GPKCAXLTPUEFDT-UYAOXDASSA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495530 501458566 /nfs/dbraw/zinc/45/85/66/501458566.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458495530 501458567 /nfs/dbraw/zinc/45/85/67/501458567.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511116 501462797 /nfs/dbraw/zinc/46/27/97/501462797.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511116 501462799 /nfs/dbraw/zinc/46/27/99/501462799.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO C[N@H+](CCCCNC(=O)NCc1ccccc1CN1CCCCC1)C1CC1 ZINC000454192881 501479624 /nfs/dbraw/zinc/47/96/24/501479624.db2.gz LKBYRTQEILESNY-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO C[N@@H+](CCCCNC(=O)NCc1ccccc1CN1CCCCC1)C1CC1 ZINC000454192881 501479628 /nfs/dbraw/zinc/47/96/28/501479628.db2.gz LKBYRTQEILESNY-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO O[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459518440 501668311 /nfs/dbraw/zinc/66/83/11/501668311.db2.gz RIUILFXHEIFIQS-PBHICJAKSA-N 1 3 357.420 3.124 20 0 FGADHO CN(c1ccccc1CN1CC2(CCC2)[C@@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693712 501700061 /nfs/dbraw/zinc/70/00/61/501700061.db2.gz ZUHNKSJIECJOFB-IFMALSPDSA-N 1 3 369.553 3.218 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000460248188 501770658 /nfs/dbraw/zinc/77/06/58/501770658.db2.gz SMGDKGYYGDBVSQ-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000460248188 501770665 /nfs/dbraw/zinc/77/06/65/501770665.db2.gz SMGDKGYYGDBVSQ-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO C[C@@H](C(=O)NC1CCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493223 501837528 /nfs/dbraw/zinc/83/75/28/501837528.db2.gz SEUPCXUDUCSRBO-IBGZPJMESA-N 1 3 369.553 3.422 20 0 FGADHO CC[C@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697351 501847419 /nfs/dbraw/zinc/84/74/19/501847419.db2.gz XVXWYYVQZBMPTN-FGZHOGPDSA-N 1 3 355.526 3.033 20 0 FGADHO Cc1ccncc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000474603333 501890423 /nfs/dbraw/zinc/89/04/23/501890423.db2.gz OSIJOVMBBADPRE-UHFFFAOYSA-N 1 3 352.526 3.078 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)CC1CCCC1 ZINC000482033581 501952844 /nfs/dbraw/zinc/95/28/44/501952844.db2.gz OVYHFSHZGGMVLZ-NQIIRXRSSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)CC1CCCC1 ZINC000482033581 501952852 /nfs/dbraw/zinc/95/28/52/501952852.db2.gz OVYHFSHZGGMVLZ-NQIIRXRSSA-N 1 3 357.542 3.183 20 0 FGADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482549953 502107792 /nfs/dbraw/zinc/10/77/92/502107792.db2.gz IJBMSNSNMDQMIR-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429403 502111204 /nfs/dbraw/zinc/11/12/04/502111204.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 1 3 369.553 3.228 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000461429403 502111207 /nfs/dbraw/zinc/11/12/07/502111207.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 1 3 369.553 3.228 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000461467839 502126133 /nfs/dbraw/zinc/12/61/33/502126133.db2.gz VQXLFNHWTVYABB-RBBKRZOGSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C1CC1)N1CCCC1 ZINC000461467839 502126138 /nfs/dbraw/zinc/12/61/38/502126138.db2.gz VQXLFNHWTVYABB-RBBKRZOGSA-N 1 3 369.553 3.279 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000471773452 502133467 /nfs/dbraw/zinc/13/34/67/502133467.db2.gz RGSAQAHFTZCHPH-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000482634274 502134089 /nfs/dbraw/zinc/13/40/89/502134089.db2.gz SFQCDRUXFLOTDB-MBOZVWFJSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000479223104 502197426 /nfs/dbraw/zinc/19/74/26/502197426.db2.gz LFGSRSNJFZPADW-KKSFZXQISA-N 1 3 369.484 3.210 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000479335514 502228261 /nfs/dbraw/zinc/22/82/61/502228261.db2.gz MDPZQLVQUXNMRP-FQEVSTJZSA-N 1 3 356.514 3.308 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000479349931 502231446 /nfs/dbraw/zinc/23/14/46/502231446.db2.gz UJVZQONAMOJYLD-POAQFYNOSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000479349931 502231452 /nfs/dbraw/zinc/23/14/52/502231452.db2.gz UJVZQONAMOJYLD-POAQFYNOSA-N 1 3 360.546 3.017 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000465579868 502313910 /nfs/dbraw/zinc/31/39/10/502313910.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000465579868 502313916 /nfs/dbraw/zinc/31/39/16/502313916.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 1 3 372.557 3.202 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721453 502360102 /nfs/dbraw/zinc/36/01/02/502360102.db2.gz KGYFMGUKBQXRQJ-HLAWJBBLSA-N 1 3 372.557 3.242 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721453 502360107 /nfs/dbraw/zinc/36/01/07/502360107.db2.gz KGYFMGUKBQXRQJ-HLAWJBBLSA-N 1 3 372.557 3.242 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000479835506 502392361 /nfs/dbraw/zinc/39/23/61/502392361.db2.gz BBCXIEXMQNNEQP-RBUKOAKNSA-N 1 3 373.541 3.258 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813832 502392912 /nfs/dbraw/zinc/39/29/12/502392912.db2.gz OSGVWIDCZVIKBB-OAQYLSRUSA-N 1 3 372.557 3.346 20 0 FGADHO CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465944272 502434676 /nfs/dbraw/zinc/43/46/76/502434676.db2.gz XOPWVFLAOWGBNR-RTWAWAEBSA-N 1 3 374.573 3.065 20 0 FGADHO CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465944272 502434682 /nfs/dbraw/zinc/43/46/82/502434682.db2.gz XOPWVFLAOWGBNR-RTWAWAEBSA-N 1 3 374.573 3.065 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617983 502444620 /nfs/dbraw/zinc/44/46/20/502444620.db2.gz SMMULFBDLJROEI-SCTDSRPQSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617983 502444625 /nfs/dbraw/zinc/44/46/25/502444625.db2.gz SMMULFBDLJROEI-SCTDSRPQSA-N 1 3 352.494 3.320 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000466030879 502459163 /nfs/dbraw/zinc/45/91/63/502459163.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000466030879 502459165 /nfs/dbraw/zinc/45/91/65/502459165.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 1 3 372.557 3.164 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466041103 502464222 /nfs/dbraw/zinc/46/42/22/502464222.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466041103 502464225 /nfs/dbraw/zinc/46/42/25/502464225.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466154550 502491537 /nfs/dbraw/zinc/49/15/37/502491537.db2.gz TUYKJWHISSBZFI-IYWMVGAKSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466154550 502491538 /nfs/dbraw/zinc/49/15/38/502491538.db2.gz TUYKJWHISSBZFI-IYWMVGAKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000480256639 502514578 /nfs/dbraw/zinc/51/45/78/502514578.db2.gz LKVKVGFPYVOBPT-IBGZPJMESA-N 1 3 367.537 3.336 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000483952913 502530734 /nfs/dbraw/zinc/53/07/34/502530734.db2.gz IHMSXSKTRTUXBK-GOSISDBHSA-N 1 3 358.530 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000483952913 502530740 /nfs/dbraw/zinc/53/07/40/502530740.db2.gz IHMSXSKTRTUXBK-GOSISDBHSA-N 1 3 358.530 3.387 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547729 /nfs/dbraw/zinc/54/77/29/502547729.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547734 /nfs/dbraw/zinc/54/77/34/502547734.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000462789629 502574880 /nfs/dbraw/zinc/57/48/80/502574880.db2.gz KIGOYRXINZMRMK-INIZCTEOSA-N 1 3 359.539 3.150 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000466475415 502580830 /nfs/dbraw/zinc/58/08/30/502580830.db2.gz SYRASJGXHHGEBQ-FCHUYYIVSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000484345878 502630374 /nfs/dbraw/zinc/63/03/74/502630374.db2.gz WWHSUDCWHBARFR-LPHOPBHVSA-N 1 3 360.546 3.240 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCCC1)N(C)C ZINC000476984060 502641703 /nfs/dbraw/zinc/64/17/03/502641703.db2.gz PZVVDDAUKFCHBH-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN1CCCCC1 ZINC000480705243 502648452 /nfs/dbraw/zinc/64/84/52/502648452.db2.gz QJKJDZVQIBDNOG-SJBKTWHCSA-N 1 3 359.558 3.160 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725585 502653628 /nfs/dbraw/zinc/65/36/28/502653628.db2.gz YPNZTPULAKUQPO-TZIWHRDSSA-N 1 3 357.542 3.369 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725585 502653633 /nfs/dbraw/zinc/65/36/33/502653633.db2.gz YPNZTPULAKUQPO-TZIWHRDSSA-N 1 3 357.542 3.369 20 0 FGADHO COc1ccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463128921 502702159 /nfs/dbraw/zinc/70/21/59/502702159.db2.gz AJQJXDNMQWIKOC-UHFFFAOYSA-N 1 3 354.494 3.371 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000477192583 502703938 /nfs/dbraw/zinc/70/39/38/502703938.db2.gz KJUGEVBFXZMGJP-NJYVYQBISA-N 1 3 372.557 3.069 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000463137906 502704738 /nfs/dbraw/zinc/70/47/38/502704738.db2.gz AKZUSAAZSZVXJN-JTHBVZDNSA-N 1 3 372.601 3.047 20 0 FGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488415907 502708258 /nfs/dbraw/zinc/70/82/58/502708258.db2.gz JLQLNSIXLBZPGR-PKOBYXMFSA-N 1 3 362.587 3.104 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293480 502727405 /nfs/dbraw/zinc/72/74/05/502727405.db2.gz RAMWGLQZFWBMGX-NRFANRHFSA-N 1 3 374.573 3.126 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1)N(C)C ZINC000481030371 502734681 /nfs/dbraw/zinc/73/46/81/502734681.db2.gz FNLVGOPKCPZYPB-HQRMLTQVSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271124 502742015 /nfs/dbraw/zinc/74/20/15/502742015.db2.gz IOCFWVRHQKWTMA-WIYYLYMNSA-N 1 3 372.557 3.119 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2cccc(Br)c21 ZINC000481056090 502742459 /nfs/dbraw/zinc/74/24/59/502742459.db2.gz VHJDUYOWWHXDMM-WWGRRREGSA-N 1 3 353.304 3.044 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000488580237 502756525 /nfs/dbraw/zinc/75/65/25/502756525.db2.gz HRDBFYAEGKIBPI-UHFFFAOYSA-N 1 3 358.505 3.157 20 0 FGADHO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000470457137 502782511 /nfs/dbraw/zinc/78/25/11/502782511.db2.gz YFYJCJHGSSBPOE-UHFFFAOYSA-N 1 3 350.466 3.048 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000500840091 502874784 /nfs/dbraw/zinc/87/47/84/502874784.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000500840091 502874791 /nfs/dbraw/zinc/87/47/91/502874791.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 1 3 352.567 3.205 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000509403521 502893602 /nfs/dbraw/zinc/89/36/02/502893602.db2.gz CKYFKPXLMUTIBU-UYSNPLJNSA-N 1 3 363.468 3.075 20 0 FGADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023699 502914373 /nfs/dbraw/zinc/91/43/73/502914373.db2.gz UNBIUPMITFQCBF-WIYYLYMNSA-N 1 3 372.557 3.267 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccsc1 ZINC000501162386 502951817 /nfs/dbraw/zinc/95/18/17/502951817.db2.gz JRFNOBNQKOXPDE-GOSISDBHSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613826 502998766 /nfs/dbraw/zinc/99/87/66/502998766.db2.gz TVZKXLMJAALQSQ-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497618176 503001457 /nfs/dbraw/zinc/00/14/57/503001457.db2.gz FFWJCKLDMFIGQA-UHFFFAOYSA-N 1 3 373.541 3.011 20 0 FGADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000513696846 503002793 /nfs/dbraw/zinc/00/27/93/503002793.db2.gz FHMBURLOFSQZTO-BHIFYINESA-N 1 3 352.526 3.472 20 0 FGADHO CC(C)C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936288 503014718 /nfs/dbraw/zinc/01/47/18/503014718.db2.gz AWHIGIGMPDDPAN-UYAOXDASSA-N 1 3 363.521 3.130 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829817 503044173 /nfs/dbraw/zinc/04/41/73/503044173.db2.gz JPYKCRDKQDXMFY-TZIWHRDSSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829816 503044292 /nfs/dbraw/zinc/04/42/92/503044292.db2.gz JPYKCRDKQDXMFY-PZJWPPBQSA-N 1 3 374.573 3.315 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501849693 503093814 /nfs/dbraw/zinc/09/38/14/503093814.db2.gz KSVYOSDNCOVULY-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856513 503095069 /nfs/dbraw/zinc/09/50/69/503095069.db2.gz JPLVJOWZOGFTQB-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856513 503095071 /nfs/dbraw/zinc/09/50/71/503095071.db2.gz JPLVJOWZOGFTQB-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000510383355 503103759 /nfs/dbraw/zinc/10/37/59/503103759.db2.gz WSEAMVIZWQXJTK-FQEVSTJZSA-N 1 3 372.557 3.339 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000514229270 503119417 /nfs/dbraw/zinc/11/94/17/503119417.db2.gz PFLSFTAOAUHVRG-PZJWPPBQSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000514229270 503119422 /nfs/dbraw/zinc/11/94/22/503119422.db2.gz PFLSFTAOAUHVRG-PZJWPPBQSA-N 1 3 372.557 3.306 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000514241228 503123685 /nfs/dbraw/zinc/12/36/85/503123685.db2.gz JBQQYTZKPAERPO-GOSISDBHSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000514241228 503123689 /nfs/dbraw/zinc/12/36/89/503123689.db2.gz JBQQYTZKPAERPO-GOSISDBHSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCCC[C@H]1C ZINC000510510703 503129681 /nfs/dbraw/zinc/12/96/81/503129681.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCCC[C@H]1C ZINC000510510703 503129686 /nfs/dbraw/zinc/12/96/86/503129686.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 1 3 364.578 3.202 20 0 FGADHO COCC[NH+](CCOC)C1CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000514784533 503192666 /nfs/dbraw/zinc/19/26/66/503192666.db2.gz DNOJHBZBHPYHPG-UHFFFAOYSA-N 1 3 371.525 3.415 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946053 503223283 /nfs/dbraw/zinc/22/32/83/503223283.db2.gz DWRZMHZORDALMY-KRWDZBQOSA-N 1 3 366.347 3.052 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000498598128 503223547 /nfs/dbraw/zinc/22/35/47/503223547.db2.gz JJHUDVUCMPZKNR-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO Brc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000515062318 503263408 /nfs/dbraw/zinc/26/34/08/503263408.db2.gz DQGDNDUFYJQFNC-CQSZACIVSA-N 1 3 372.376 3.018 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000515176553 503284752 /nfs/dbraw/zinc/28/47/52/503284752.db2.gz UMPITIRTLGGFSF-QUCCMNQESA-N 1 3 363.933 3.268 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000502892898 503301314 /nfs/dbraw/zinc/30/13/14/503301314.db2.gz NOEIEFQKXPBSBX-GOSISDBHSA-N 1 3 352.567 3.205 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000502892898 503301318 /nfs/dbraw/zinc/30/13/18/503301318.db2.gz NOEIEFQKXPBSBX-GOSISDBHSA-N 1 3 352.567 3.205 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)C ZINC000515294682 503308847 /nfs/dbraw/zinc/30/88/47/503308847.db2.gz ZJCJXWUQWQZXON-FQEVSTJZSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CN(C)C ZINC000491589173 503322489 /nfs/dbraw/zinc/32/24/89/503322489.db2.gz OLGWBRPBVOHVGY-SFHVURJKSA-N 1 3 363.509 3.281 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000515476799 503346400 /nfs/dbraw/zinc/34/64/00/503346400.db2.gz TZZLVXUTJARGJK-RKVPGOIHSA-N 1 3 350.478 3.301 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428401 503407160 /nfs/dbraw/zinc/40/71/60/503407160.db2.gz OEJAVQQURNYTOB-BFWZDYSYSA-N 1 3 362.518 3.025 20 0 FGADHO C[C@@H](OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000515832086 503408913 /nfs/dbraw/zinc/40/89/13/503408913.db2.gz JCBUVNSPDMKEIH-ARJQWXCESA-N 1 3 366.933 3.383 20 0 FGADHO C[C@@H](OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832086 503408914 /nfs/dbraw/zinc/40/89/14/503408914.db2.gz JCBUVNSPDMKEIH-ARJQWXCESA-N 1 3 366.933 3.383 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900101 503411000 /nfs/dbraw/zinc/41/10/00/503411000.db2.gz DDFAQVOQGMINKC-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNC/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929254 503417587 /nfs/dbraw/zinc/41/75/87/503417587.db2.gz ZJPSEACYZWIMKX-ZRHASKPBSA-N 1 3 358.432 3.334 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNC/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929254 503417590 /nfs/dbraw/zinc/41/75/90/503417590.db2.gz ZJPSEACYZWIMKX-ZRHASKPBSA-N 1 3 358.432 3.334 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000516633209 503555441 /nfs/dbraw/zinc/55/54/41/503555441.db2.gz ILQRSNSUNKXWOI-ZBFHGGJFSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000516633209 503555446 /nfs/dbraw/zinc/55/54/46/503555446.db2.gz ILQRSNSUNKXWOI-ZBFHGGJFSA-N 1 3 374.504 3.246 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504324424 503556378 /nfs/dbraw/zinc/55/63/78/503556378.db2.gz LCHVJACXGXFRBU-RTWAWAEBSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504324424 503556383 /nfs/dbraw/zinc/55/63/83/503556383.db2.gz LCHVJACXGXFRBU-RTWAWAEBSA-N 1 3 370.541 3.099 20 0 FGADHO CCCNC(=O)[C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000512536475 503578880 /nfs/dbraw/zinc/57/88/80/503578880.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 1 3 359.558 3.383 20 0 FGADHO CCCNC(=O)[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000512536475 503578886 /nfs/dbraw/zinc/57/88/86/503578886.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 1 3 359.558 3.383 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508860223 503581226 /nfs/dbraw/zinc/58/12/26/503581226.db2.gz DGXRKUQQKOHUSR-IRFCIJBXSA-N 1 3 374.573 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508860223 503581227 /nfs/dbraw/zinc/58/12/27/503581227.db2.gz DGXRKUQQKOHUSR-IRFCIJBXSA-N 1 3 374.573 3.360 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000512568326 503585872 /nfs/dbraw/zinc/58/58/72/503585872.db2.gz HQNJHXYZWBZTOQ-UHFFFAOYSA-N 1 3 370.585 3.279 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000512568326 503585874 /nfs/dbraw/zinc/58/58/74/503585874.db2.gz HQNJHXYZWBZTOQ-UHFFFAOYSA-N 1 3 370.585 3.279 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N(C)C ZINC000508902346 503595216 /nfs/dbraw/zinc/59/52/16/503595216.db2.gz WFXJRBMWYWGSDS-ZSXPUABSSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N(C)C ZINC000508902346 503595217 /nfs/dbraw/zinc/59/52/17/503595217.db2.gz WFXJRBMWYWGSDS-ZSXPUABSSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N(C)C ZINC000508902535 503595293 /nfs/dbraw/zinc/59/52/93/503595293.db2.gz WQTRIEKFCQTLBL-JKBKZWBZSA-N 1 3 372.557 3.254 20 0 FGADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000512640993 503601212 /nfs/dbraw/zinc/60/12/12/503601212.db2.gz CEDDINIBMKUAIA-BURNTYAHSA-N 1 3 350.510 3.157 20 0 FGADHO CC(C)(CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000504875418 503630353 /nfs/dbraw/zinc/63/03/53/503630353.db2.gz IUYAZSOXWRRETO-FQEVSTJZSA-N 1 3 372.557 3.215 20 0 FGADHO CCOC1CC2(C1)CCN(CC(C)C[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000512824457 503640531 /nfs/dbraw/zinc/64/05/31/503640531.db2.gz SKDOJUADTXGWBD-UHFFFAOYSA-N 1 3 364.574 3.405 20 0 FGADHO CCOC1CC2(C1)CCN(CC(C)C[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000512824457 503640533 /nfs/dbraw/zinc/64/05/33/503640533.db2.gz SKDOJUADTXGWBD-UHFFFAOYSA-N 1 3 364.574 3.405 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000517112050 503671244 /nfs/dbraw/zinc/67/12/44/503671244.db2.gz IEKXHVZLCUGDJN-NHCUHLMSSA-N 1 3 372.557 3.258 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000536675578 503675358 /nfs/dbraw/zinc/67/53/58/503675358.db2.gz YBXWGCHCVQYPGW-UHFFFAOYSA-N 1 3 357.473 3.430 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719306 503677699 /nfs/dbraw/zinc/67/76/99/503677699.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719306 503677704 /nfs/dbraw/zinc/67/77/04/503677704.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719307 503679187 /nfs/dbraw/zinc/67/91/87/503679187.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719307 503679191 /nfs/dbraw/zinc/67/91/91/503679191.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(F)F)CCCCC3)CC2)CC1 ZINC000517245617 503692379 /nfs/dbraw/zinc/69/23/79/503692379.db2.gz WNMMRZYYTRNDIX-UHFFFAOYSA-N 1 3 371.516 3.267 20 0 FGADHO CCN1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000540226589 503717084 /nfs/dbraw/zinc/71/70/84/503717084.db2.gz SUNJBKKFBILBCD-UHFFFAOYSA-N 1 3 358.530 3.275 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000517390504 503733027 /nfs/dbraw/zinc/73/30/27/503733027.db2.gz DXBLCPRQCUSOOD-UHFFFAOYSA-N 1 3 355.526 3.162 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857416 503742606 /nfs/dbraw/zinc/74/26/06/503742606.db2.gz HWJRHARFHWNKFP-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857416 503742609 /nfs/dbraw/zinc/74/26/09/503742609.db2.gz HWJRHARFHWNKFP-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO CCc1noc(-c2ccc(CCNC3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000540360886 503749391 /nfs/dbraw/zinc/74/93/91/503749391.db2.gz GWQHHAAOTGGRBT-UHFFFAOYSA-N 1 3 354.498 3.306 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000517562547 503772573 /nfs/dbraw/zinc/77/25/73/503772573.db2.gz SNJJWTSULSPNNP-QGZVFWFLSA-N 1 3 351.560 3.101 20 0 FGADHO CC[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000543626210 503833455 /nfs/dbraw/zinc/83/34/55/503833455.db2.gz XAVOQUWOZMQKDQ-FQEVSTJZSA-N 1 3 356.514 3.178 20 0 FGADHO C[C@@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CCN(CCO)CC3)cc2)cc1F ZINC000527589526 503845295 /nfs/dbraw/zinc/84/52/95/503845295.db2.gz SVZRBZJERVQJRR-SJORKVTESA-N 1 3 371.500 3.183 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000527638236 503870487 /nfs/dbraw/zinc/87/04/87/503870487.db2.gz HHLSMKHUTNAVBY-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO c1nc(-c2ccccc2)sc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241735 503890771 /nfs/dbraw/zinc/89/07/71/503890771.db2.gz QGIOTNOBHLVDII-GOSISDBHSA-N 1 3 357.523 3.401 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000543910045 503938141 /nfs/dbraw/zinc/93/81/41/503938141.db2.gz JIKVFFYJJBFWFW-PXNSSMCTSA-N 1 3 364.578 3.013 20 0 FGADHO CC[NH+]1CCC(N(C)C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518399156 503973644 /nfs/dbraw/zinc/97/36/44/503973644.db2.gz ILCSKEKEUXIZOG-IBGZPJMESA-N 1 3 371.569 3.272 20 0 FGADHO C[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000518438958 503985054 /nfs/dbraw/zinc/98/50/54/503985054.db2.gz SCBXNVRNLBNFKU-GBESFXJTSA-N 1 3 360.546 3.069 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000527950026 504012809 /nfs/dbraw/zinc/01/28/09/504012809.db2.gz OUOMJJSSXBQEJY-NRSPTQNISA-N 1 3 351.579 3.120 20 0 FGADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607496 504026053 /nfs/dbraw/zinc/02/60/53/504026053.db2.gz CQEMYWWKZCFIBW-WOJBJXKFSA-N 1 3 361.530 3.240 20 0 FGADHO C[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009651 504038143 /nfs/dbraw/zinc/03/81/43/504038143.db2.gz ZCSSFDYPUBULJX-KKSFZXQISA-N 1 3 367.493 3.105 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000518985191 504111016 /nfs/dbraw/zinc/11/10/16/504111016.db2.gz QNCKBHWHNVROOZ-LCKKVJLRSA-N 1 3 369.553 3.278 20 0 FGADHO Fc1ccc(-c2noc(CCCNC3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000541552971 504174348 /nfs/dbraw/zinc/17/43/48/504174348.db2.gz DQIFKOKIYBUQIW-UHFFFAOYSA-N 1 3 358.461 3.272 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)N(C)C)cc1 ZINC000519295958 504186498 /nfs/dbraw/zinc/18/64/98/504186498.db2.gz GJKLLVCAOBJPDE-FQEVSTJZSA-N 1 3 360.546 3.209 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000547706979 504193979 /nfs/dbraw/zinc/19/39/79/504193979.db2.gz DFGDPNGAMOPOHR-UHFFFAOYSA-N 1 3 363.855 3.476 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)C34CCCN3CCC4)c2)CC1 ZINC000547758268 504213690 /nfs/dbraw/zinc/21/36/90/504213690.db2.gz VECUQXWYCJVLBZ-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000519449725 504224376 /nfs/dbraw/zinc/22/43/76/504224376.db2.gz KXWDDRXROBVIPB-UYAOXDASSA-N 1 3 360.546 3.099 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461031 504234024 /nfs/dbraw/zinc/23/40/24/504234024.db2.gz ZOHZPMPQHBNOSX-ZBFHGGJFSA-N 1 3 359.436 3.327 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000519580958 504260493 /nfs/dbraw/zinc/26/04/93/504260493.db2.gz UCVOFGQCVPFZNO-CVDCTZTESA-N 1 3 352.522 3.448 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CCN(C)c1ccncc1 ZINC000541858037 504279135 /nfs/dbraw/zinc/27/91/35/504279135.db2.gz ACJLBRHNILAYIZ-UHFFFAOYSA-N 1 3 354.498 3.066 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000528659699 504317625 /nfs/dbraw/zinc/31/76/25/504317625.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 1 3 371.569 3.380 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000528659699 504317629 /nfs/dbraw/zinc/31/76/29/504317629.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 1 3 371.569 3.380 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346830 504454253 /nfs/dbraw/zinc/45/42/53/504454253.db2.gz OAMTZJKNNLJVLR-AZUAARDMSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075799 504465821 /nfs/dbraw/zinc/46/58/21/504465821.db2.gz LMTUHSTWIQORQR-BRWVUGGUSA-N 1 3 359.514 3.111 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000531965920 504488594 /nfs/dbraw/zinc/48/85/94/504488594.db2.gz VLZUSVZCQSVDCS-HXUWFJFHSA-N 1 3 371.912 3.409 20 0 FGADHO CC(C)N1CCC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680171 504506243 /nfs/dbraw/zinc/50/62/43/504506243.db2.gz IXLMKCGKJGTDLG-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680171 504506247 /nfs/dbraw/zinc/50/62/47/504506247.db2.gz IXLMKCGKJGTDLG-OAQYLSRUSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000532029653 504511528 /nfs/dbraw/zinc/51/15/28/504511528.db2.gz PHSCJUDPBIHMDT-UHFFFAOYSA-N 1 3 374.573 3.022 20 0 FGADHO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000532212893 504574470 /nfs/dbraw/zinc/57/44/70/504574470.db2.gz LQUMOOFOHKGGDZ-RBBKRZOGSA-N 1 3 372.484 3.164 20 0 FGADHO CCC(CC)(CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539474216 504583914 /nfs/dbraw/zinc/58/39/14/504583914.db2.gz IWIFKXUMPQSSDA-SFHVURJKSA-N 1 3 372.557 3.457 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000536307717 504692992 /nfs/dbraw/zinc/69/29/92/504692992.db2.gz QDVJDEPJDHHTPE-BHDDXSALSA-N 1 3 370.537 3.454 20 0 FGADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000549343507 504795801 /nfs/dbraw/zinc/79/58/01/504795801.db2.gz CKTNHMWWZSHBIZ-FCHUYYIVSA-N 1 3 363.505 3.110 20 0 FGADHO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000549343510 504795952 /nfs/dbraw/zinc/79/59/52/504795952.db2.gz CKTNHMWWZSHBIZ-VXKWHMMOSA-N 1 3 363.505 3.110 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cncnc3C)CC2)cc1 ZINC000565218455 504828282 /nfs/dbraw/zinc/82/82/82/504828282.db2.gz QYWMGAIVBCPVAR-INIZCTEOSA-N 1 3 354.498 3.356 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351292 504862455 /nfs/dbraw/zinc/86/24/55/504862455.db2.gz FGNDGWLUWMAXID-QUCCMNQESA-N 1 3 374.916 3.448 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774293 504926736 /nfs/dbraw/zinc/92/67/36/504926736.db2.gz POTNCQFKXGAWJT-JWHDQAAXSA-N 1 3 358.592 3.080 20 0 FGADHO CC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)c1ccccc1 ZINC000553623945 504966401 /nfs/dbraw/zinc/96/64/01/504966401.db2.gz BXEAAJLGMMIFAT-FQEVSTJZSA-N 1 3 357.542 3.075 20 0 FGADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000565778445 504984624 /nfs/dbraw/zinc/98/46/24/504984624.db2.gz LJQXDAFVVWGKLD-QFIPXVFZSA-N 1 3 361.493 3.330 20 0 FGADHO OC1(C[NH2+]C2CCC3(CCCO3)CC2)CCN(Cc2ccccc2)CC1 ZINC000556878184 505003440 /nfs/dbraw/zinc/00/34/40/505003440.db2.gz PZPOJDQOZJQMEU-UHFFFAOYSA-N 1 3 358.526 3.095 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262679 505005830 /nfs/dbraw/zinc/00/58/30/505005830.db2.gz NQMBSIPRCUWJKY-PMACEKPBSA-N 1 3 360.567 3.400 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963559 505032739 /nfs/dbraw/zinc/03/27/39/505032739.db2.gz PRTJBVYOZCBTHY-QUCCMNQESA-N 1 3 362.514 3.201 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000556984300 505037833 /nfs/dbraw/zinc/03/78/33/505037833.db2.gz FSEQTRDTYQNMND-KRWDZBQOSA-N 1 3 367.331 3.263 20 0 FGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1cccc(N2CCOCC2)c1 ZINC000566092171 505077100 /nfs/dbraw/zinc/07/71/00/505077100.db2.gz QCQQPRAHTXQRCL-NKZGEROYSA-N 1 3 369.553 3.327 20 0 FGADHO C[C@H](CNCCC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000566106649 505083026 /nfs/dbraw/zinc/08/30/26/505083026.db2.gz WEHJHZGSBMAQGM-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CN1CCCC1 ZINC000566106649 505083030 /nfs/dbraw/zinc/08/30/30/505083030.db2.gz WEHJHZGSBMAQGM-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1Br ZINC000560528446 505115899 /nfs/dbraw/zinc/11/58/99/505115899.db2.gz FYYWIFOSYQVSSW-FVQBIDKESA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1Br ZINC000560528446 505115901 /nfs/dbraw/zinc/11/59/01/505115901.db2.gz FYYWIFOSYQVSSW-FVQBIDKESA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1Br ZINC000560528446 505115904 /nfs/dbraw/zinc/11/59/04/505115904.db2.gz FYYWIFOSYQVSSW-FVQBIDKESA-N 1 3 353.304 3.420 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)ccn1 ZINC000550940549 505127341 /nfs/dbraw/zinc/12/73/41/505127341.db2.gz QQMYHKSCIQFHTD-LJQANCHMSA-N 1 3 368.525 3.343 20 0 FGADHO [NH3+]CCc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000566404555 505165969 /nfs/dbraw/zinc/16/59/69/505165969.db2.gz PFBNLLMLAZFUSA-UHFFFAOYSA-N 1 3 351.494 3.104 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1C ZINC000563529279 505167563 /nfs/dbraw/zinc/16/75/63/505167563.db2.gz XMBOTIVVESYMHA-OAQYLSRUSA-N 1 3 356.510 3.203 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000551266879 505189479 /nfs/dbraw/zinc/18/94/79/505189479.db2.gz HATQIMSIXYZLJL-IFMALSPDSA-N 1 3 359.558 3.444 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000551272011 505190413 /nfs/dbraw/zinc/19/04/13/505190413.db2.gz UTQBTDPYXWNXMJ-SFHVURJKSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000551272011 505190418 /nfs/dbraw/zinc/19/04/18/505190418.db2.gz UTQBTDPYXWNXMJ-SFHVURJKSA-N 1 3 370.541 3.051 20 0 FGADHO Cc1cc(CN(C)C)cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000557662949 505196655 /nfs/dbraw/zinc/19/66/55/505196655.db2.gz IDWPKNNZHAPMKT-LJQANCHMSA-N 1 3 361.555 3.213 20 0 FGADHO CSC1(CN[C@@H](C)c2cncc(Br)c2)CC[NH+](C)CC1 ZINC000566571769 505209988 /nfs/dbraw/zinc/20/99/88/505209988.db2.gz DHFBXWAOAUJZGJ-LBPRGKRZSA-N 1 3 358.349 3.322 20 0 FGADHO CSC1(C[NH2+][C@@H](C)c2cncc(Br)c2)CCN(C)CC1 ZINC000566571769 505209993 /nfs/dbraw/zinc/20/99/93/505209993.db2.gz DHFBXWAOAUJZGJ-LBPRGKRZSA-N 1 3 358.349 3.322 20 0 FGADHO Cc1ccc(OC[C@H](O)CNCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000566791421 505274121 /nfs/dbraw/zinc/27/41/21/505274121.db2.gz BCPNKYYOZFUSER-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1ccc(OC[C@H](O)CNCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000566791421 505274123 /nfs/dbraw/zinc/27/41/23/505274123.db2.gz BCPNKYYOZFUSER-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797106 505275048 /nfs/dbraw/zinc/27/50/48/505275048.db2.gz VUXPNEJCZMGGNO-YSIASYRMSA-N 1 3 365.521 3.339 20 0 FGADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021115 505287809 /nfs/dbraw/zinc/28/78/09/505287809.db2.gz CZZWEMWNVARLGG-FVJLSDCUSA-N 1 3 364.493 3.049 20 0 FGADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021115 505287811 /nfs/dbraw/zinc/28/78/11/505287811.db2.gz CZZWEMWNVARLGG-FVJLSDCUSA-N 1 3 364.493 3.049 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915669 505298605 /nfs/dbraw/zinc/29/86/05/505298605.db2.gz XSABMPNPIXLWCT-OALUTQOASA-N 1 3 370.541 3.375 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000566937249 505315566 /nfs/dbraw/zinc/31/55/66/505315566.db2.gz SAXPTKFUKMHCBR-VQIMIIECSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000566937249 505315570 /nfs/dbraw/zinc/31/55/70/505315570.db2.gz SAXPTKFUKMHCBR-VQIMIIECSA-N 1 3 363.571 3.392 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000555120626 505356121 /nfs/dbraw/zinc/35/61/21/505356121.db2.gz YBMCITSLDXKPRG-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO O[C@@H](CCc1ccccc1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000564294055 505374329 /nfs/dbraw/zinc/37/43/29/505374329.db2.gz UTNUEQHRRGJERM-FQEVSTJZSA-N 1 3 361.489 3.351 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000555210154 505380644 /nfs/dbraw/zinc/38/06/44/505380644.db2.gz YUXKETZRRPPINN-UXHICEINSA-N 1 3 372.557 3.023 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000564497852 505434467 /nfs/dbraw/zinc/43/44/67/505434467.db2.gz MXCGINHGVIBXCY-UNMCSNQZSA-N 1 3 370.585 3.277 20 0 FGADHO CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OCC ZINC000552244997 505439678 /nfs/dbraw/zinc/43/96/78/505439678.db2.gz PVAFSKROHOELPJ-UHFFFAOYSA-N 1 3 350.503 3.027 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945710 505474652 /nfs/dbraw/zinc/47/46/52/505474652.db2.gz FVKSNGQXPMECBG-MBPVOVBZSA-N 1 3 373.541 3.115 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000561953249 505476990 /nfs/dbraw/zinc/47/69/90/505476990.db2.gz NHJNDDCAMNWKJA-JTJHWIPRSA-N 1 3 357.542 3.276 20 0 FGADHO COc1ccc(OC(F)F)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000561974725 505482475 /nfs/dbraw/zinc/48/24/75/505482475.db2.gz DJWCNKHHYUDMQK-HNNXBMFYSA-N 1 3 354.441 3.460 20 0 FGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000564674256 505488938 /nfs/dbraw/zinc/48/89/38/505488938.db2.gz CDUJKVBRPSOCSW-WOJBJXKFSA-N 1 3 357.542 3.427 20 0 FGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000564674254 505489216 /nfs/dbraw/zinc/48/92/16/505489216.db2.gz CDUJKVBRPSOCSW-UXHICEINSA-N 1 3 357.542 3.427 20 0 FGADHO c1cn(-c2ccccc2CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646096 505523568 /nfs/dbraw/zinc/52/35/68/505523568.db2.gz TYFJCHPXAYFDTQ-DENIHFKCSA-N 1 3 360.461 3.218 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNCCC(=O)Nc3cccnc3)c2)CC1 ZINC000564847579 505537364 /nfs/dbraw/zinc/53/73/64/505537364.db2.gz GGCQJZBDIVMZOT-UHFFFAOYSA-N 1 3 366.509 3.432 20 0 FGADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 ZINC000562200836 505538309 /nfs/dbraw/zinc/53/83/09/505538309.db2.gz RZRGPGNFNDZGGJ-OAQYLSRUSA-N 1 3 374.573 3.271 20 0 FGADHO CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000564860562 505542151 /nfs/dbraw/zinc/54/21/51/505542151.db2.gz QGFMPDZFOIEKPW-YADHBBJMSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860562 505542154 /nfs/dbraw/zinc/54/21/54/505542154.db2.gz QGFMPDZFOIEKPW-YADHBBJMSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860562 505542159 /nfs/dbraw/zinc/54/21/59/505542159.db2.gz QGFMPDZFOIEKPW-YADHBBJMSA-N 1 3 374.569 3.302 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286610 506476614 /nfs/dbraw/zinc/47/66/14/506476614.db2.gz LOYZVQUYQRIDOM-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000596650302 506510454 /nfs/dbraw/zinc/51/04/54/506510454.db2.gz HADUOMLPYJEMNY-GFCCVEGCSA-N 1 3 359.297 3.404 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608661413 506653557 /nfs/dbraw/zinc/65/35/57/506653557.db2.gz UODALVDBXQGTRD-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608684898 506664502 /nfs/dbraw/zinc/66/45/02/506664502.db2.gz BHJRDLLFUMMRBX-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684898 506664505 /nfs/dbraw/zinc/66/45/05/506664505.db2.gz BHJRDLLFUMMRBX-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000604171466 506734231 /nfs/dbraw/zinc/73/42/31/506734231.db2.gz NUINIBVQJFKXDR-UXHICEINSA-N 1 3 374.573 3.331 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000604171466 506734237 /nfs/dbraw/zinc/73/42/37/506734237.db2.gz NUINIBVQJFKXDR-UXHICEINSA-N 1 3 374.573 3.331 20 0 FGADHO COC(=O)c1cc2cc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730153 506752788 /nfs/dbraw/zinc/75/27/88/506752788.db2.gz KVQLZCCGLNVTDN-ZHALLVOQSA-N 1 3 372.465 3.080 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593829986 506793893 /nfs/dbraw/zinc/79/38/93/506793893.db2.gz GKBVTUCANHYHOK-PZJWPPBQSA-N 1 3 373.516 3.125 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000583493123 506808903 /nfs/dbraw/zinc/80/89/03/506808903.db2.gz GJXJKRBLZZQQNA-UHFFFAOYSA-N 1 3 359.558 3.071 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000583493123 506808906 /nfs/dbraw/zinc/80/89/06/506808906.db2.gz GJXJKRBLZZQQNA-UHFFFAOYSA-N 1 3 359.558 3.071 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818870 506979864 /nfs/dbraw/zinc/97/98/64/506979864.db2.gz DTFMYNFWLMKKBE-SFHVURJKSA-N 1 3 357.542 3.012 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000590818870 506979870 /nfs/dbraw/zinc/97/98/70/506979870.db2.gz DTFMYNFWLMKKBE-SFHVURJKSA-N 1 3 357.542 3.012 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077533 /nfs/dbraw/zinc/07/75/33/507077533.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077542 /nfs/dbraw/zinc/07/75/42/507077542.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 1 3 352.567 3.011 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000613491355 507117630 /nfs/dbraw/zinc/11/76/30/507117630.db2.gz PAUZJCZNIOMDAL-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000613491355 507117633 /nfs/dbraw/zinc/11/76/33/507117633.db2.gz PAUZJCZNIOMDAL-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000600888455 507162669 /nfs/dbraw/zinc/16/26/69/507162669.db2.gz WNXZDNKWPYYPHI-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000600888455 507162677 /nfs/dbraw/zinc/16/26/77/507162677.db2.gz WNXZDNKWPYYPHI-MOPGFXCFSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584227955 507224844 /nfs/dbraw/zinc/22/48/44/507224844.db2.gz UKLSGWGJSFBWGA-WZONZLPQSA-N 1 3 368.521 3.414 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584227954 507225497 /nfs/dbraw/zinc/22/54/97/507225497.db2.gz UKLSGWGJSFBWGA-MBSDFSHPSA-N 1 3 368.521 3.414 20 0 FGADHO CC[NH+](CC)CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000601043433 507240309 /nfs/dbraw/zinc/24/03/09/507240309.db2.gz ZDOAUSMLZHLWOC-LJQANCHMSA-N 1 3 359.558 3.178 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591456244 507257560 /nfs/dbraw/zinc/25/75/60/507257560.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591456244 507257561 /nfs/dbraw/zinc/25/75/61/507257561.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000584491725 507374354 /nfs/dbraw/zinc/37/43/54/507374354.db2.gz XWWJHZQKCTWDOY-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000584491725 507374362 /nfs/dbraw/zinc/37/43/62/507374362.db2.gz XWWJHZQKCTWDOY-ZIAGYGMSSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606701061 507488195 /nfs/dbraw/zinc/48/81/95/507488195.db2.gz VJASYOQLHUTTNU-GOSISDBHSA-N 1 3 372.557 3.023 20 0 FGADHO COCCc1nc(C)c([C@H](C)[NH2+]CC2(SC)CCN(C)CC2)s1 ZINC000584809109 507516494 /nfs/dbraw/zinc/51/64/94/507516494.db2.gz BCGVOBVUHZFOOU-ZDUSSCGKSA-N 1 3 357.589 3.118 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccsc2C(F)(F)F)CC[NH2+]CC1 ZINC000602019565 507557593 /nfs/dbraw/zinc/55/75/93/507557593.db2.gz GVTMKAFTPVOKOZ-LLVKDONJSA-N 1 3 364.433 3.178 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419051 608882519 /nfs/dbraw/zinc/88/25/19/608882519.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419051 608882522 /nfs/dbraw/zinc/88/25/22/608882522.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419051 608882526 /nfs/dbraw/zinc/88/25/26/608882526.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419051 608882530 /nfs/dbraw/zinc/88/25/30/608882530.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 1 3 368.529 3.201 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000151104404 704912487 /nfs/dbraw/zinc/91/24/87/704912487.db2.gz NHYNHKBRMNQTAV-SFHVURJKSA-N 1 3 365.612 3.157 20 0 FGADHO CC(C)N1CC[NH+](CCCN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191559451 712838993 /nfs/dbraw/zinc/83/89/93/712838993.db2.gz LNWACVYABYUCPN-UHFFFAOYSA-N 1 3 368.909 3.096 20 0 FGADHO C[C@@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000195191806 713548409 /nfs/dbraw/zinc/54/84/09/713548409.db2.gz VSANCCDWPKZAOJ-PXNSSMCTSA-N 1 3 353.551 3.345 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195188329 713548451 /nfs/dbraw/zinc/54/84/51/713548451.db2.gz JOGNGPFMUAFZFD-HXUWFJFHSA-N 1 3 353.551 3.344 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029383 713717512 /nfs/dbraw/zinc/71/75/12/713717512.db2.gz NWNDDUYAAQKYJJ-SFHVURJKSA-N 1 3 364.917 3.473 20 0 FGADHO CC(C)N1CC[NH+](CCCN2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000374815716 713945731 /nfs/dbraw/zinc/94/57/31/713945731.db2.gz PLMGEINYKJLFRE-HXUWFJFHSA-N 1 3 351.485 3.112 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080403 714169231 /nfs/dbraw/zinc/16/92/31/714169231.db2.gz CVEJKPCATUYZKV-QZTJIDSGSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000522080403 714169233 /nfs/dbraw/zinc/16/92/33/714169233.db2.gz CVEJKPCATUYZKV-QZTJIDSGSA-N 1 3 364.559 3.009 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000642630908 717985693 /nfs/dbraw/zinc/98/56/93/717985693.db2.gz QPRSQXCHIPQCLG-NUEKZKHPSA-N 1 3 365.905 3.282 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630908 717985696 /nfs/dbraw/zinc/98/56/96/717985696.db2.gz QPRSQXCHIPQCLG-NUEKZKHPSA-N 1 3 365.905 3.282 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399249 715327349 /nfs/dbraw/zinc/32/73/49/715327349.db2.gz CZHQMBHTSSKPJV-JKSUJKDBSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399249 715327351 /nfs/dbraw/zinc/32/73/51/715327351.db2.gz CZHQMBHTSSKPJV-JKSUJKDBSA-N 1 3 366.347 3.490 20 0 FGADHO COc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc(Br)c1OC ZINC000623404734 715329063 /nfs/dbraw/zinc/32/90/63/715329063.db2.gz IUZWJVJNWWYSOE-ZDUSSCGKSA-N 1 3 371.319 3.429 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420825 715332291 /nfs/dbraw/zinc/33/22/91/715332291.db2.gz PLOLFAQKLYQSOZ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420825 715332295 /nfs/dbraw/zinc/33/22/95/715332295.db2.gz PLOLFAQKLYQSOZ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ncc1Br ZINC000623424823 715334083 /nfs/dbraw/zinc/33/40/83/715334083.db2.gz GIRYIDQGCQTGJN-HUUCEWRRSA-N 1 3 370.335 3.132 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629588669 716314599 /nfs/dbraw/zinc/31/45/99/716314599.db2.gz LKNTZUDZPCISQR-AYWYSENESA-N 1 3 356.897 3.061 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629588669 716314606 /nfs/dbraw/zinc/31/46/06/716314606.db2.gz LKNTZUDZPCISQR-AYWYSENESA-N 1 3 356.897 3.061 20 0 FGADHO CCC[N@H+](C)[C@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126609 724488129 /nfs/dbraw/zinc/48/81/29/724488129.db2.gz ARAORJLBUSEYGY-QGZVFWFLSA-N 1 3 351.922 3.323 20 0 FGADHO CCC[N@@H+](C)[C@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126609 724488131 /nfs/dbraw/zinc/48/81/31/724488131.db2.gz ARAORJLBUSEYGY-QGZVFWFLSA-N 1 3 351.922 3.323 20 0 FGADHO CC[C@H]1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497698 718364267 /nfs/dbraw/zinc/36/42/67/718364267.db2.gz RQFFLCWODHMLSM-GOEBONIOSA-N 1 3 352.404 3.450 20 0 FGADHO C[C@@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586024 718438143 /nfs/dbraw/zinc/43/81/43/718438143.db2.gz SLWPHRLVAGZVCE-YWZLYKJASA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586024 718438144 /nfs/dbraw/zinc/43/81/44/718438144.db2.gz SLWPHRLVAGZVCE-YWZLYKJASA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586021 718438328 /nfs/dbraw/zinc/43/83/28/718438328.db2.gz SLWPHRLVAGZVCE-FOIQADDNSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586021 718438331 /nfs/dbraw/zinc/43/83/31/718438331.db2.gz SLWPHRLVAGZVCE-FOIQADDNSA-N 1 3 351.485 3.169 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](N[C@@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709097 718853922 /nfs/dbraw/zinc/85/39/22/718853922.db2.gz KLXQTIHKHPIYQL-WMLDXEAASA-N 1 3 351.897 3.225 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657310848 719623627 /nfs/dbraw/zinc/62/36/27/719623627.db2.gz PHDZHHAGXZVKMT-MRXNPFEDSA-N 1 3 358.555 3.234 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@H](C)O1 ZINC000657368516 719634707 /nfs/dbraw/zinc/63/47/07/719634707.db2.gz XZPZEVLNFCLCPI-IYBDPMFKSA-N 1 3 350.478 3.346 20 0 FGADHO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657846725 719720081 /nfs/dbraw/zinc/72/00/81/719720081.db2.gz QAZSOHHMJQSCSW-TZMCWYRMSA-N 1 3 364.839 3.336 20 0 FGADHO CO[C@H](CN1CCC[C@H]([N@H+](C)C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993711 /nfs/dbraw/zinc/99/37/11/719993711.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN1CCC[C@H]([N@@H+](C)C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993713 /nfs/dbraw/zinc/99/37/13/719993713.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN(C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993716 /nfs/dbraw/zinc/99/37/16/719993716.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@H](CN(C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993718 /nfs/dbraw/zinc/99/37/18/719993718.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 1 3 352.563 3.403 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338948 720032831 /nfs/dbraw/zinc/03/28/31/720032831.db2.gz NSTJUPUPRLRRHR-IAGOWNOFSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338948 720032833 /nfs/dbraw/zinc/03/28/33/720032833.db2.gz NSTJUPUPRLRRHR-IAGOWNOFSA-N 1 3 366.575 3.303 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094303 /nfs/dbraw/zinc/09/43/03/720094303.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 1 3 356.432 3.027 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094313 /nfs/dbraw/zinc/09/43/13/720094313.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 1 3 356.432 3.027 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841428 720329872 /nfs/dbraw/zinc/32/98/72/720329872.db2.gz PLXMEEMWHKEBTB-OALUTQOASA-N 1 3 351.579 3.118 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCSc3ccc(F)cc3F)CC2)C1 ZINC000662280912 720409113 /nfs/dbraw/zinc/40/91/13/720409113.db2.gz HIZDPIATCLMMFH-DOTOQJQBSA-N 1 3 356.482 3.275 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953954 721004799 /nfs/dbraw/zinc/00/47/99/721004799.db2.gz LUNQSKAIGFMGAT-AEFFLSMTSA-N 1 3 350.890 3.130 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995206 721010600 /nfs/dbraw/zinc/01/06/00/721010600.db2.gz GHLWTRBSVNCJKX-QAPCUYQASA-N 1 3 363.933 3.341 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc4ccncc4s3)CC2)CC1 ZINC000668244627 721262233 /nfs/dbraw/zinc/26/22/33/721262233.db2.gz GQQUTPKQHBKDQI-UHFFFAOYSA-N 1 3 358.555 3.288 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000678747487 721975582 /nfs/dbraw/zinc/97/55/82/721975582.db2.gz YYDSCOMLGKVZRP-AEFFLSMTSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@H](N[C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679773019 722047677 /nfs/dbraw/zinc/04/76/77/722047677.db2.gz QFBDQVJAHHKPPS-GUYCJALGSA-N 1 3 355.320 3.193 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802401 722409885 /nfs/dbraw/zinc/40/98/85/722409885.db2.gz IQTKMHWHKGWSQB-KURKYZTESA-N 1 3 353.551 3.391 20 0 FGADHO COCCC[NH+]1CCC(NCc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000726977340 722439957 /nfs/dbraw/zinc/43/99/57/722439957.db2.gz QKIRJBUDHNGNLQ-UHFFFAOYSA-N 1 3 362.543 3.207 20 0 FGADHO CCCCCCN(C)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872397 722478792 /nfs/dbraw/zinc/47/87/92/722478792.db2.gz IAQUITUBMKGNGW-HXUWFJFHSA-N 1 3 351.579 3.469 20 0 FGADHO O=C(OCCC[NH+]1CCCCC1)C1CCN(c2cccc(Cl)c2)C1=O ZINC000747758688 722659685 /nfs/dbraw/zinc/65/96/85/722659685.db2.gz NLCNKPBAGJKKTD-QGZVFWFLSA-N 1 3 364.873 3.112 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024446 /nfs/dbraw/zinc/02/44/46/723024446.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 1 3 352.881 3.461 20 0 FGADHO O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024447 /nfs/dbraw/zinc/02/44/47/723024447.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 1 3 352.881 3.461 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1CN1CCCCC1 ZINC000775416261 723989462 /nfs/dbraw/zinc/98/94/62/723989462.db2.gz XODVRXOLGIZVIG-TZPNTHKFSA-N 1 3 366.571 3.489 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096240 /nfs/dbraw/zinc/09/62/40/725096240.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096242 /nfs/dbraw/zinc/09/62/42/725096242.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 1 3 351.535 3.194 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717855 726806188 /nfs/dbraw/zinc/80/61/88/726806188.db2.gz LVIPJMJRTLYSHG-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862903 /nfs/dbraw/zinc/86/29/03/726862903.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 1 3 353.551 3.296 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862906 /nfs/dbraw/zinc/86/29/06/726862906.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 1 3 353.551 3.296 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000819341943 727369300 /nfs/dbraw/zinc/36/93/00/727369300.db2.gz NDUNEAMFSQEVON-IBGZPJMESA-N 1 3 363.571 3.394 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000820074627 728964797 /nfs/dbraw/zinc/96/47/97/728964797.db2.gz LKMCEIOGZQEHPB-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000820074627 728964799 /nfs/dbraw/zinc/96/47/99/728964799.db2.gz LKMCEIOGZQEHPB-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414249 729278349 /nfs/dbraw/zinc/27/83/49/729278349.db2.gz SWMCLKNAUAJULG-JXFKEZNVSA-N 1 3 351.535 3.050 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137926 729620650 /nfs/dbraw/zinc/62/06/50/729620650.db2.gz FIFLAIBPGDSNGA-SJORKVTESA-N 1 3 368.953 3.306 20 0 FGADHO Ic1ccccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126433 730588834 /nfs/dbraw/zinc/58/88/34/730588834.db2.gz REXLDUKNALCKDN-UONOGXRCSA-N 1 3 370.278 3.113 20 0 FGADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000846665411 730971959 /nfs/dbraw/zinc/97/19/59/730971959.db2.gz KCBYIBICIGGENI-CABCVRRESA-N 1 3 356.388 3.172 20 0 FGADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000846665414 730971984 /nfs/dbraw/zinc/97/19/84/730971984.db2.gz KCBYIBICIGGENI-GJZGRUSLSA-N 1 3 356.388 3.172 20 0 FGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)ccn1 ZINC000850516655 731367283 /nfs/dbraw/zinc/36/72/83/731367283.db2.gz IHXJMHZRGGTOBB-QRVBRYPASA-N 1 3 363.596 3.263 20 0 FGADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc2c(s1)CCNC2 ZINC000852797962 731636458 /nfs/dbraw/zinc/63/64/58/731636458.db2.gz DINLVUKYLFDWDG-UHFFFAOYSA-N 1 3 361.555 3.168 20 0 FGADHO Cc1ccccc1SC[C@H](C)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000859193233 732288166 /nfs/dbraw/zinc/28/81/66/732288166.db2.gz RZARSUCNDPAYPE-QUCCMNQESA-N 1 3 361.599 3.435 20 0 FGADHO Cc1ccccc1SC[C@H](C)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193233 732288168 /nfs/dbraw/zinc/28/81/68/732288168.db2.gz RZARSUCNDPAYPE-QUCCMNQESA-N 1 3 361.599 3.435 20 0 FGADHO CC(C)(C)OC(=O)N[C@H](CNC1CC[NH+](C2CCC2)CC1)CC(F)F ZINC000865434949 733199958 /nfs/dbraw/zinc/19/99/58/733199958.db2.gz WLQDPGFWZWOHAM-AWEZNQCLSA-N 1 3 361.477 3.141 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475265 733208965 /nfs/dbraw/zinc/20/89/65/733208965.db2.gz JDCOUVPBAMBISJ-QAPCUYQASA-N 1 3 355.511 3.203 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475265 733208968 /nfs/dbraw/zinc/20/89/68/733208968.db2.gz JDCOUVPBAMBISJ-QAPCUYQASA-N 1 3 355.511 3.203 20 0 FGADHO O=C(Nc1ccccc1)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200959 735736586 /nfs/dbraw/zinc/73/65/86/735736586.db2.gz PMSPTOQAFDJMAX-UHFFFAOYSA-N 1 3 355.507 3.245 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)nn1 ZINC000873243020 735743502 /nfs/dbraw/zinc/74/35/02/735743502.db2.gz IGPUQLZSDNWGND-LJQANCHMSA-N 1 3 353.857 3.157 20 0 FGADHO CN(CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525876 739264886 /nfs/dbraw/zinc/26/48/86/739264886.db2.gz ADRBOQWBAYLYTP-KSZLIROESA-N 1 3 355.448 3.123 20 0 FGADHO CN(CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525876 739264888 /nfs/dbraw/zinc/26/48/88/739264888.db2.gz ADRBOQWBAYLYTP-KSZLIROESA-N 1 3 355.448 3.123 20 0 FGADHO CN(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000886525876 739264894 /nfs/dbraw/zinc/26/48/94/739264894.db2.gz ADRBOQWBAYLYTP-KSZLIROESA-N 1 3 355.448 3.123 20 0 FGADHO F[C@@H]1CC2(CC[C@@H]1N1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611730 739920598 /nfs/dbraw/zinc/92/05/98/739920598.db2.gz VDRFWAVRAUVFCU-MOPGFXCFSA-N 1 3 354.510 3.208 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2 ZINC000894748501 742327272 /nfs/dbraw/zinc/32/72/72/742327272.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 1 3 361.477 3.092 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2 ZINC000894748501 742327278 /nfs/dbraw/zinc/32/72/78/742327278.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 1 3 361.477 3.092 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)CC2 ZINC000904392082 743951610 /nfs/dbraw/zinc/95/16/10/743951610.db2.gz MRHXYNJPXBYKGD-KRWDZBQOSA-N 1 3 360.889 3.060 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386059 758909446 /nfs/dbraw/zinc/90/94/46/758909446.db2.gz DZKZXSQLQFMUKN-VDERGJSUSA-N 1 3 373.360 3.080 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386059 758909448 /nfs/dbraw/zinc/90/94/48/758909448.db2.gz DZKZXSQLQFMUKN-VDERGJSUSA-N 1 3 373.360 3.080 20 0 FGADHO [NH3+]C[C@@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372005 759107067 /nfs/dbraw/zinc/10/70/67/759107067.db2.gz DWICHGGKMVAQFR-GDBMZVCRSA-N 1 3 361.313 3.230 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389126 759108872 /nfs/dbraw/zinc/10/88/72/759108872.db2.gz TULQCVQQAPDDND-YENGBRFLSA-N 1 3 373.324 3.245 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391398 759109866 /nfs/dbraw/zinc/10/98/66/759109866.db2.gz FEMXULDOYJNZIR-QCSYZSNVSA-N 1 3 373.324 3.388 20 0 FGADHO C[C@H](c1cccc(Br)c1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452391 759120517 /nfs/dbraw/zinc/12/05/17/759120517.db2.gz QLGXTXYTFMDBRL-CZUORRHYSA-N 1 3 353.304 3.340 20 0 FGADHO C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924886634 759411037 /nfs/dbraw/zinc/41/10/37/759411037.db2.gz XCRZSWLLDWOSLS-MRXNPFEDSA-N 1 3 360.523 3.144 20 0 FGADHO C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1)N1CCN(C)CC1 ZINC000924963647 759423434 /nfs/dbraw/zinc/42/34/34/759423434.db2.gz GNQLBVNUQQBQID-JXFKEZNVSA-N 1 3 358.917 3.050 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925531426 759501335 /nfs/dbraw/zinc/50/13/35/759501335.db2.gz ZEICNWRCYWBKGC-UONOGXRCSA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839770 759554889 /nfs/dbraw/zinc/55/48/89/759554889.db2.gz DQBDKWORZKZMRP-BOFPYLFWSA-N 1 3 365.905 3.188 20 0 FGADHO O=C1O[C@@H](CN[C@@H]2CCc3c2ccc(Cl)c3Cl)CC12CC[NH2+]CC2 ZINC000925856994 759560166 /nfs/dbraw/zinc/56/01/66/759560166.db2.gz YQXBLCUYXLWZHA-IAQYHMDHSA-N 1 3 369.292 3.256 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927157827 759909444 /nfs/dbraw/zinc/90/94/44/759909444.db2.gz XVEVXEBVZMDAAM-MSOLQXFVSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC001018867245 765846812 /nfs/dbraw/zinc/84/68/12/765846812.db2.gz KGJQHORYRSEDSR-VHDGCEQUSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC001018867245 765846820 /nfs/dbraw/zinc/84/68/20/765846820.db2.gz KGJQHORYRSEDSR-VHDGCEQUSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000579597908 505583775 /nfs/dbraw/zinc/58/37/75/505583775.db2.gz JONRCLCIQZCBFG-HOTGVXAUSA-N 1 3 366.347 3.127 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc(I)c1 ZINC000570857076 505597236 /nfs/dbraw/zinc/59/72/36/505597236.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc(I)c1 ZINC000570857076 505597237 /nfs/dbraw/zinc/59/72/37/505597237.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 1 3 358.267 3.063 20 0 FGADHO CC[C@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570981393 505626010 /nfs/dbraw/zinc/62/60/10/505626010.db2.gz LUCMHDZXKZOXHN-LJQANCHMSA-N 1 3 371.569 3.493 20 0 FGADHO CC[C@@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570981392 505626030 /nfs/dbraw/zinc/62/60/30/505626030.db2.gz LUCMHDZXKZOXHN-IBGZPJMESA-N 1 3 371.569 3.493 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1 ZINC000579828739 505628193 /nfs/dbraw/zinc/62/81/93/505628193.db2.gz NLDGVMDBWFVLJK-OXQOHEQNSA-N 1 3 351.494 3.119 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)CC3(C[NH3+])CCCCC3)c2)CC1 ZINC000579834349 505629700 /nfs/dbraw/zinc/62/97/00/505629700.db2.gz XCAORMLACJIXQT-UHFFFAOYSA-N 1 3 372.557 3.455 20 0 FGADHO C(C1CCOCC1)N1CCCC2(CCC[N@H+](CC3CCOCC3)C2)C1 ZINC000579889112 505639058 /nfs/dbraw/zinc/63/90/58/505639058.db2.gz FVUWIWCDYLOLAX-UHFFFAOYSA-N 1 3 350.547 3.018 20 0 FGADHO C(C1CCOCC1)N1CCCC2(CCC[N@@H+](CC3CCOCC3)C2)C1 ZINC000579889112 505639060 /nfs/dbraw/zinc/63/90/60/505639060.db2.gz FVUWIWCDYLOLAX-UHFFFAOYSA-N 1 3 350.547 3.018 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000579930013 505648762 /nfs/dbraw/zinc/64/87/62/505648762.db2.gz LATKOSOYUXIKES-LJQANCHMSA-N 1 3 370.522 3.436 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc1 ZINC000568281923 505658518 /nfs/dbraw/zinc/65/85/18/505658518.db2.gz HHUMHWNLTQXRJH-NRFANRHFSA-N 1 3 366.509 3.187 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000076056899 493814373 /nfs/dbraw/zinc/81/43/73/493814373.db2.gz TYZAYBHTDOCSMO-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000058887129 493891778 /nfs/dbraw/zinc/89/17/78/493891778.db2.gz DJXNHHSBPWWDIY-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000084381571 494067978 /nfs/dbraw/zinc/06/79/78/494067978.db2.gz BDMWNPCCOPTALX-KRWDZBQOSA-N 1 3 363.571 3.293 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000084381571 494067981 /nfs/dbraw/zinc/06/79/81/494067981.db2.gz BDMWNPCCOPTALX-KRWDZBQOSA-N 1 3 363.571 3.293 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000084412375 494071391 /nfs/dbraw/zinc/07/13/91/494071391.db2.gz JUTVMRITENVKDV-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000064026531 494102124 /nfs/dbraw/zinc/10/21/24/494102124.db2.gz FXZKDBCSTQDIIH-UHFFFAOYSA-N 1 3 367.493 3.475 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000580190936 505699839 /nfs/dbraw/zinc/69/98/39/505699839.db2.gz BILGDBLFFCYJNU-NHCUHLMSSA-N 1 3 366.509 3.078 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)CC(C)C ZINC000071925740 494108451 /nfs/dbraw/zinc/10/84/51/494108451.db2.gz AXMCKBQRVLKHQG-IBGZPJMESA-N 1 3 352.567 3.013 20 0 FGADHO Brc1ccc(-c2c[nH]c(CNCC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000574139063 505702890 /nfs/dbraw/zinc/70/28/90/505702890.db2.gz XNUOMJRLUNSTOH-ZDUSSCGKSA-N 1 3 363.303 3.319 20 0 FGADHO CNC(=O)c1cccc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000072962130 494292414 /nfs/dbraw/zinc/29/24/14/494292414.db2.gz OXTPMGSBTVBBLZ-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CNC(=O)c1cccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000072962130 494292417 /nfs/dbraw/zinc/29/24/17/494292417.db2.gz OXTPMGSBTVBBLZ-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073653720 494407534 /nfs/dbraw/zinc/40/75/34/494407534.db2.gz CAWAJPFEYCRROI-NUJGCVRESA-N 1 3 366.575 3.161 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526252 494478267 /nfs/dbraw/zinc/47/82/67/494478267.db2.gz CTSNZVBIQOUZKU-ZMYBRWDISA-N 1 3 350.478 3.253 20 0 FGADHO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090541614 494480552 /nfs/dbraw/zinc/48/05/52/494480552.db2.gz JSPASEWFMFRLMN-XKGZKEIXSA-N 1 3 364.555 3.332 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000056358234 494493260 /nfs/dbraw/zinc/49/32/60/494493260.db2.gz UOFHKBRFCNRSSL-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO COc1cc(C)c([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1OC ZINC000090937443 494504712 /nfs/dbraw/zinc/50/47/12/494504712.db2.gz FBGAQKVTKJJUHF-INIZCTEOSA-N 1 3 373.497 3.198 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000074253848 494505293 /nfs/dbraw/zinc/50/52/93/494505293.db2.gz DSFGQGLDKUXOCD-UHFFFAOYSA-N 1 3 357.498 3.345 20 0 FGADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000090964787 494506864 /nfs/dbraw/zinc/50/68/64/494506864.db2.gz UYIOEFIQBLWITP-VQIMIIECSA-N 1 3 370.493 3.290 20 0 FGADHO C[NH+](C)CCC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000056523568 494519417 /nfs/dbraw/zinc/51/94/17/494519417.db2.gz DYFAYLXOENEERL-OAQYLSRUSA-N 1 3 357.542 3.404 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523319 494519519 /nfs/dbraw/zinc/51/95/19/494519519.db2.gz JTUBRJOVBOVZHC-ZWKOTPCHSA-N 1 3 359.558 3.478 20 0 FGADHO C[NH+](C)CCC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056521763 494519663 /nfs/dbraw/zinc/51/96/63/494519663.db2.gz BVYDPNFCYQJJHR-UHFFFAOYSA-N 1 3 369.509 3.373 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000580300392 505727523 /nfs/dbraw/zinc/72/75/23/505727523.db2.gz GAWLFYNIRAWLAZ-IRLDBZIGSA-N 1 3 363.505 3.102 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080055184 494578054 /nfs/dbraw/zinc/57/80/54/494578054.db2.gz VGTNIQBDYATOSI-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H]1CCC[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000115675700 494591625 /nfs/dbraw/zinc/59/16/25/494591625.db2.gz AHHAMDFQYFFBBA-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCCN3CCCC3)cc2)n1 ZINC000067666986 494605465 /nfs/dbraw/zinc/60/54/65/494605465.db2.gz LEYKBXKWPYVXQD-UHFFFAOYSA-N 1 3 352.404 3.467 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000115796599 494624993 /nfs/dbraw/zinc/62/49/93/494624993.db2.gz VYNCROKJFJGMBH-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796599 494625000 /nfs/dbraw/zinc/62/50/00/494625000.db2.gz VYNCROKJFJGMBH-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587317 494677046 /nfs/dbraw/zinc/67/70/46/494677046.db2.gz ZJPDUNQPTCPQNO-HDICACEKSA-N 1 3 356.510 3.284 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587317 494677052 /nfs/dbraw/zinc/67/70/52/494677052.db2.gz ZJPDUNQPTCPQNO-HDICACEKSA-N 1 3 356.510 3.284 20 0 FGADHO CC(C)CN(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821285 494764754 /nfs/dbraw/zinc/76/47/54/494764754.db2.gz FXPAMIJDJQTTCM-UHFFFAOYSA-N 1 3 372.557 3.267 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CCN(C)CC1 ZINC000092072875 494777629 /nfs/dbraw/zinc/77/76/29/494777629.db2.gz WXSCAANZIKZOPN-IBGZPJMESA-N 1 3 367.541 3.320 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CCN(C)CC1 ZINC000092072875 494777635 /nfs/dbraw/zinc/77/76/35/494777635.db2.gz WXSCAANZIKZOPN-IBGZPJMESA-N 1 3 367.541 3.320 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116561580 494815603 /nfs/dbraw/zinc/81/56/03/494815603.db2.gz XEAYXVHOIPYKEG-IBGZPJMESA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457843 494877694 /nfs/dbraw/zinc/87/76/94/494877694.db2.gz LBYRTAROLVYBBE-IBGZPJMESA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457843 494877697 /nfs/dbraw/zinc/87/76/97/494877697.db2.gz LBYRTAROLVYBBE-IBGZPJMESA-N 1 3 368.525 3.031 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906056 494886729 /nfs/dbraw/zinc/88/67/29/494886729.db2.gz XZULMCUZIGRGJX-JOCHJYFZSA-N 1 3 371.569 3.396 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000127594641 494967628 /nfs/dbraw/zinc/96/76/28/494967628.db2.gz HZSBYCNGVILVPC-OAQYLSRUSA-N 1 3 370.541 3.093 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133297574 494997039 /nfs/dbraw/zinc/99/70/39/494997039.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 1 3 358.574 3.039 20 0 FGADHO CCC[N@H+]1CC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133297574 494997041 /nfs/dbraw/zinc/99/70/41/494997041.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 1 3 358.574 3.039 20 0 FGADHO CCCN1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122694301 495017676 /nfs/dbraw/zinc/01/76/76/495017676.db2.gz FZFSGDWEJHZKSP-HXUWFJFHSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N(C)Cc1ccccc1 ZINC000111453127 495075988 /nfs/dbraw/zinc/07/59/88/495075988.db2.gz ZPYKBMLDZHVXNY-SFHVURJKSA-N 1 3 368.525 3.068 20 0 FGADHO C[NH+](C)CCCC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000123133034 495085310 /nfs/dbraw/zinc/08/53/10/495085310.db2.gz IGZQVYHETLYYRC-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CCC[C@H](C)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545593 495187407 /nfs/dbraw/zinc/18/74/07/495187407.db2.gz NMOIDISFUJMMIY-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO Cc1csc(=O)n1CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142886 495198481 /nfs/dbraw/zinc/19/84/81/495198481.db2.gz IACXAEBADITWOO-UHFFFAOYSA-N 1 3 359.539 3.062 20 0 FGADHO Cc1csc(=O)n1CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142886 495198482 /nfs/dbraw/zinc/19/84/82/495198482.db2.gz IACXAEBADITWOO-UHFFFAOYSA-N 1 3 359.539 3.062 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305559 495216941 /nfs/dbraw/zinc/21/69/41/495216941.db2.gz SLNRUFSMMGIODS-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000129987046 495324103 /nfs/dbraw/zinc/32/41/03/495324103.db2.gz WGRDKPUHTYKHRA-IAGOWNOFSA-N 1 3 371.447 3.189 20 0 FGADHO Cc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000120224210 495331336 /nfs/dbraw/zinc/33/13/36/495331336.db2.gz CXZYICFJXAYDNE-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083445 495335326 /nfs/dbraw/zinc/33/53/26/495335326.db2.gz CJYMSAMDDZAUPQ-TZIWHRDSSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083445 495335330 /nfs/dbraw/zinc/33/53/30/495335330.db2.gz CJYMSAMDDZAUPQ-TZIWHRDSSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630277 505777654 /nfs/dbraw/zinc/77/76/54/505777654.db2.gz KOEZXOJWDRMFSO-MOPGFXCFSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630277 505777659 /nfs/dbraw/zinc/77/76/59/505777659.db2.gz KOEZXOJWDRMFSO-MOPGFXCFSA-N 1 3 374.573 3.269 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372590 495381538 /nfs/dbraw/zinc/38/15/38/495381538.db2.gz SCLRCRBVANOLMM-BZSNNMDCSA-N 1 3 356.432 3.464 20 0 FGADHO Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(OCCN(C)C)c1 ZINC000130684621 495429653 /nfs/dbraw/zinc/42/96/53/495429653.db2.gz KMTMXXVQGDTYPI-MRXNPFEDSA-N 1 3 364.534 3.033 20 0 FGADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000120662848 495429815 /nfs/dbraw/zinc/42/98/15/495429815.db2.gz YCKMLNFRHICYEO-OAQYLSRUSA-N 1 3 356.514 3.382 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000137430120 495441104 /nfs/dbraw/zinc/44/11/04/495441104.db2.gz ZOCMHUXOMYPYAV-DQVLVPHSSA-N 1 3 374.573 3.489 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656831 505784354 /nfs/dbraw/zinc/78/43/54/505784354.db2.gz KLSDZLNQRFASNN-UTKZUKDTSA-N 1 3 368.525 3.259 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656831 505784358 /nfs/dbraw/zinc/78/43/58/505784358.db2.gz KLSDZLNQRFASNN-UTKZUKDTSA-N 1 3 368.525 3.259 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131096673 495491336 /nfs/dbraw/zinc/49/13/36/495491336.db2.gz PENFBUXTLICMJI-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)N(C)C ZINC000106922381 495513093 /nfs/dbraw/zinc/51/30/93/495513093.db2.gz SNWNICHFIZDBAG-LJQANCHMSA-N 1 3 365.949 3.254 20 0 FGADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000106922381 495513095 /nfs/dbraw/zinc/51/30/95/495513095.db2.gz SNWNICHFIZDBAG-LJQANCHMSA-N 1 3 365.949 3.254 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895227 495515265 /nfs/dbraw/zinc/51/52/65/495515265.db2.gz HVZCQQWSXVBPAK-UONOGXRCSA-N 1 3 372.326 3.265 20 0 FGADHO COc1cc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918277 495518890 /nfs/dbraw/zinc/51/88/90/495518890.db2.gz XWMOWYMUFPJKMD-KDOFPFPSSA-N 1 3 370.559 3.116 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000158536068 495532525 /nfs/dbraw/zinc/53/25/25/495532525.db2.gz FNFRCLGKEPZSCN-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546590 /nfs/dbraw/zinc/54/65/90/495546590.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 1 3 374.573 3.411 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546597 /nfs/dbraw/zinc/54/65/97/495546597.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 1 3 374.573 3.411 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Cl)cc1 ZINC000574512181 505789264 /nfs/dbraw/zinc/78/92/64/505789264.db2.gz LVZZZBAOHFHEAU-SFHVURJKSA-N 1 3 352.906 3.076 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279923 495566998 /nfs/dbraw/zinc/56/69/98/495566998.db2.gz GWEKSUDOLUTFHP-GUIRCDHDSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279923 495567008 /nfs/dbraw/zinc/56/70/08/495567008.db2.gz GWEKSUDOLUTFHP-GUIRCDHDSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@H](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182448282 495568418 /nfs/dbraw/zinc/56/84/18/495568418.db2.gz CSRKWSKGUQLVTH-LJQANCHMSA-N 1 3 372.557 3.215 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000577770135 505789750 /nfs/dbraw/zinc/78/97/50/505789750.db2.gz JDZAMOIZINXBIA-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000159077279 495652581 /nfs/dbraw/zinc/65/25/81/495652581.db2.gz UJSJYIKMCSRJKM-OAQYLSRUSA-N 1 3 361.574 3.350 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000185661636 495668699 /nfs/dbraw/zinc/66/86/99/495668699.db2.gz HMQGZNANVSNICT-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185661636 495668700 /nfs/dbraw/zinc/66/87/00/495668700.db2.gz HMQGZNANVSNICT-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000185661636 495668702 /nfs/dbraw/zinc/66/87/02/495668702.db2.gz HMQGZNANVSNICT-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776320 495698929 /nfs/dbraw/zinc/69/89/29/495698929.db2.gz KLQCQOSZMOGIHO-DNVCBOLYSA-N 1 3 371.529 3.103 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150979933 495701154 /nfs/dbraw/zinc/70/11/54/495701154.db2.gz WMFNPLHAWJMXCW-HNNXBMFYSA-N 1 3 373.570 3.190 20 0 FGADHO CN(CC[NH2+]C1CCN(CCc2ccccc2)CC1)Cc1ccccc1 ZINC000151027959 495715600 /nfs/dbraw/zinc/71/56/00/495715600.db2.gz ZVEHTCTWZUUGST-UHFFFAOYSA-N 1 3 351.538 3.415 20 0 FGADHO CN(CCNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000151027959 495715602 /nfs/dbraw/zinc/71/56/02/495715602.db2.gz ZVEHTCTWZUUGST-UHFFFAOYSA-N 1 3 351.538 3.415 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096412 495736482 /nfs/dbraw/zinc/73/64/82/495736482.db2.gz FMBFOQJFECITDQ-INIZCTEOSA-N 1 3 363.933 3.266 20 0 FGADHO CC(C)(C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000574571562 505805596 /nfs/dbraw/zinc/80/55/96/505805596.db2.gz PVNPEQAPEDSOQN-HSALFYBXSA-N 1 3 369.484 3.195 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183127165 495845659 /nfs/dbraw/zinc/84/56/59/495845659.db2.gz CKEXFZUTTFGBBO-AKIFATBCSA-N 1 3 366.553 3.470 20 0 FGADHO Cn1ccnc1COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171385836 495850091 /nfs/dbraw/zinc/85/00/91/495850091.db2.gz VITBNMFNZWAPGM-UHFFFAOYSA-N 1 3 368.525 3.307 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000577877983 505810437 /nfs/dbraw/zinc/81/04/37/505810437.db2.gz ZIQLAYLLTFQEPL-GOSISDBHSA-N 1 3 365.949 3.222 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000155744891 496055352 /nfs/dbraw/zinc/05/53/52/496055352.db2.gz WJGFHQOCYRCFIU-CABCVRRESA-N 1 3 359.436 3.262 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408543 496142730 /nfs/dbraw/zinc/14/27/30/496142730.db2.gz SNXNWZLJSAPHCF-SJORKVTESA-N 1 3 354.498 3.134 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408543 496142734 /nfs/dbraw/zinc/14/27/34/496142734.db2.gz SNXNWZLJSAPHCF-SJORKVTESA-N 1 3 354.498 3.134 20 0 FGADHO Cc1coc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc12 ZINC000186798297 496156277 /nfs/dbraw/zinc/15/62/77/496156277.db2.gz UDIPFGKGYYKGPZ-UHFFFAOYSA-N 1 3 370.497 3.421 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC1(C[NH+](C)C)CCCC1 ZINC000183950189 496172917 /nfs/dbraw/zinc/17/29/17/496172917.db2.gz UDRJNIFFCMCAFZ-AWEZNQCLSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000180995877 496234803 /nfs/dbraw/zinc/23/48/03/496234803.db2.gz AHLLCAMGZCPEPP-OAHLLOKOSA-N 1 3 359.901 3.482 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860702 496250914 /nfs/dbraw/zinc/25/09/14/496250914.db2.gz KRVACCFQBPHQTD-IEBWSBKVSA-N 1 3 362.514 3.075 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594432 496288891 /nfs/dbraw/zinc/28/88/91/496288891.db2.gz YXFHDSYZTCXBNR-SFHVURJKSA-N 1 3 369.509 3.422 20 0 FGADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594432 496288896 /nfs/dbraw/zinc/28/88/96/496288896.db2.gz YXFHDSYZTCXBNR-SFHVURJKSA-N 1 3 369.509 3.422 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000162597332 496380438 /nfs/dbraw/zinc/38/04/38/496380438.db2.gz DPBUOKKPCWKMJI-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848609 496422709 /nfs/dbraw/zinc/42/27/09/496422709.db2.gz LCWSSZRXXQBCJL-SFTDATJTSA-N 1 3 373.585 3.173 20 0 FGADHO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000178414633 496448184 /nfs/dbraw/zinc/44/81/84/496448184.db2.gz LRCQVPKZCBHNHZ-HNNXBMFYSA-N 1 3 358.555 3.358 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474870 496456673 /nfs/dbraw/zinc/45/66/73/496456673.db2.gz HHBAEKFGIDIMMO-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](NCCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522074 496485414 /nfs/dbraw/zinc/48/54/14/496485414.db2.gz BFQOCSWSRYYGTH-DYVFJYSZSA-N 1 3 367.331 3.434 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662558 496491739 /nfs/dbraw/zinc/49/17/39/496491739.db2.gz DCFQTWXKEBKXHX-ROUUACIJSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662558 496491744 /nfs/dbraw/zinc/49/17/44/496491744.db2.gz DCFQTWXKEBKXHX-ROUUACIJSA-N 1 3 373.541 3.010 20 0 FGADHO Cc1cc(NC(=O)CCNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747427 496516302 /nfs/dbraw/zinc/51/63/02/496516302.db2.gz CHBYDYVLUIBSCD-HOTGVXAUSA-N 1 3 370.497 3.058 20 0 FGADHO Cc1nccnc1[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000187794133 496574813 /nfs/dbraw/zinc/57/48/13/496574813.db2.gz AQYQDJRSRIWOOY-IBGZPJMESA-N 1 3 367.541 3.034 20 0 FGADHO Cc1ccsc1CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164040623 496581312 /nfs/dbraw/zinc/58/13/12/496581312.db2.gz GURDHYPZPXFZEP-UHFFFAOYSA-N 1 3 363.571 3.054 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000158388546 496690792 /nfs/dbraw/zinc/69/07/92/496690792.db2.gz JIMHTPSFMVLGGK-OFQRWUPVSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388546 496690795 /nfs/dbraw/zinc/69/07/95/496690795.db2.gz JIMHTPSFMVLGGK-OFQRWUPVSA-N 1 3 367.921 3.304 20 0 FGADHO Fc1cccnc1N1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000168145745 496708496 /nfs/dbraw/zinc/70/84/96/496708496.db2.gz FGPXJHJRNVQLTH-HXUWFJFHSA-N 1 3 368.500 3.096 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000168957976 496713663 /nfs/dbraw/zinc/71/36/63/496713663.db2.gz HRWHWFLUPAUIAV-OAHLLOKOSA-N 1 3 374.356 3.034 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268808 496723811 /nfs/dbraw/zinc/72/38/11/496723811.db2.gz SWAWKBLONZUAKD-IERDGZPVSA-N 1 3 352.478 3.039 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268808 496723814 /nfs/dbraw/zinc/72/38/14/496723814.db2.gz SWAWKBLONZUAKD-IERDGZPVSA-N 1 3 352.478 3.039 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273192681 496735937 /nfs/dbraw/zinc/73/59/37/496735937.db2.gz JGVBKFXQAFSCPZ-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273192681 496735940 /nfs/dbraw/zinc/73/59/40/496735940.db2.gz JGVBKFXQAFSCPZ-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO CN(CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000580894174 505862820 /nfs/dbraw/zinc/86/28/20/505862820.db2.gz ALAFKNVSBMUJLU-UHFFFAOYSA-N 1 3 365.521 3.091 20 0 FGADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000578119609 505866147 /nfs/dbraw/zinc/86/61/47/505866147.db2.gz GJCPVULIOHXPHY-DENIHFKCSA-N 1 3 364.493 3.190 20 0 FGADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000578119609 505866150 /nfs/dbraw/zinc/86/61/50/505866150.db2.gz GJCPVULIOHXPHY-DENIHFKCSA-N 1 3 364.493 3.190 20 0 FGADHO c1ncn(-c2cccc(CNC3CC[NH+](CCc4ccccc4)CC3)c2)n1 ZINC000268911090 496820994 /nfs/dbraw/zinc/82/09/94/496820994.db2.gz NAXDYBGIPLCUKO-UHFFFAOYSA-N 1 3 361.493 3.064 20 0 FGADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000268921533 496824446 /nfs/dbraw/zinc/82/44/46/496824446.db2.gz WVLSDFYGZLUFIK-RBBKRZOGSA-N 1 3 371.569 3.274 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825785 /nfs/dbraw/zinc/82/57/85/496825785.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825792 /nfs/dbraw/zinc/82/57/92/496825792.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO COc1cc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)ccc1SC(F)F ZINC000268984082 496842661 /nfs/dbraw/zinc/84/26/61/496842661.db2.gz LAHKXNSLHKBUND-LBPRGKRZSA-N 1 3 360.470 3.117 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000247398053 496851218 /nfs/dbraw/zinc/85/12/18/496851218.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000247398053 496851221 /nfs/dbraw/zinc/85/12/21/496851221.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 1 3 372.557 3.164 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264544705 496925779 /nfs/dbraw/zinc/92/57/79/496925779.db2.gz BKKQJMFIBYNWBX-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000248043597 496947482 /nfs/dbraw/zinc/94/74/82/496947482.db2.gz UKAUEDRXJPLGLO-LZJOCLMNSA-N 1 3 361.530 3.433 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000203161998 496973255 /nfs/dbraw/zinc/97/32/55/496973255.db2.gz DOHMHBDPVMREEC-UHFFFAOYSA-N 1 3 367.537 3.160 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000248395650 496994602 /nfs/dbraw/zinc/99/46/02/496994602.db2.gz GKNDEGKHVVRBOH-QYZOEREBSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000248395650 496994604 /nfs/dbraw/zinc/99/46/04/496994604.db2.gz GKNDEGKHVVRBOH-QYZOEREBSA-N 1 3 364.578 3.059 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460023 497019372 /nfs/dbraw/zinc/01/93/72/497019372.db2.gz WDEJDLNZLODMRA-KSFYIVLOSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460023 497019374 /nfs/dbraw/zinc/01/93/74/497019374.db2.gz WDEJDLNZLODMRA-KSFYIVLOSA-N 1 3 367.493 3.062 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532633 497032622 /nfs/dbraw/zinc/03/26/22/497032622.db2.gz YPAAEZGVNNHKAC-MOPGFXCFSA-N 1 3 366.571 3.259 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532633 497032624 /nfs/dbraw/zinc/03/26/24/497032624.db2.gz YPAAEZGVNNHKAC-MOPGFXCFSA-N 1 3 366.571 3.259 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189187234 497037791 /nfs/dbraw/zinc/03/77/91/497037791.db2.gz AQLFYDZZSCRRTB-UYAOXDASSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189187234 497037794 /nfs/dbraw/zinc/03/77/94/497037794.db2.gz AQLFYDZZSCRRTB-UYAOXDASSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000189187234 497037799 /nfs/dbraw/zinc/03/77/99/497037799.db2.gz AQLFYDZZSCRRTB-UYAOXDASSA-N 1 3 369.553 3.204 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248554984 497038606 /nfs/dbraw/zinc/03/86/06/497038606.db2.gz HWUVNEYIOARJDN-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248554984 497038611 /nfs/dbraw/zinc/03/86/11/497038611.db2.gz HWUVNEYIOARJDN-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248554984 497038615 /nfs/dbraw/zinc/03/86/15/497038615.db2.gz HWUVNEYIOARJDN-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO NC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191659 505883715 /nfs/dbraw/zinc/88/37/15/505883715.db2.gz AECMCMUODTWBLJ-HXUWFJFHSA-N 1 3 364.493 3.464 20 0 FGADHO NC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191659 505883718 /nfs/dbraw/zinc/88/37/18/505883718.db2.gz AECMCMUODTWBLJ-HXUWFJFHSA-N 1 3 364.493 3.464 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236659966 497128966 /nfs/dbraw/zinc/12/89/66/497128966.db2.gz IVPUEAIWXOAGDM-AVRDEDQJSA-N 1 3 371.569 3.211 20 0 FGADHO CCC(CC)(CNC(=O)C[C@@H]1CSCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000236844719 497156225 /nfs/dbraw/zinc/15/62/25/497156225.db2.gz VEXLHFLRMZYRJK-SJLPKXTDSA-N 1 3 363.571 3.107 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000581006869 505889247 /nfs/dbraw/zinc/88/92/47/505889247.db2.gz TUWUSQJSAPQEQY-GOSISDBHSA-N 1 3 366.427 3.460 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000192726979 497196950 /nfs/dbraw/zinc/19/69/50/497196950.db2.gz RZIBAEGRSNRBCG-UHFFFAOYSA-N 1 3 373.585 3.126 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccsc1 ZINC000189674229 497206740 /nfs/dbraw/zinc/20/67/40/497206740.db2.gz ADDIJZJONRFVLT-QGZVFWFLSA-N 1 3 366.575 3.257 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274961378 497206958 /nfs/dbraw/zinc/20/69/58/497206958.db2.gz WSGGYQVNTZRKAU-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961378 497206964 /nfs/dbraw/zinc/20/69/64/497206964.db2.gz WSGGYQVNTZRKAU-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961378 497206968 /nfs/dbraw/zinc/20/69/68/497206968.db2.gz WSGGYQVNTZRKAU-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000237270009 497213250 /nfs/dbraw/zinc/21/32/50/497213250.db2.gz JCOMTNAPTLXNCM-GOSISDBHSA-N 1 3 355.457 3.396 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@H](C)C1 ZINC000265946159 497214530 /nfs/dbraw/zinc/21/45/30/497214530.db2.gz JQMGSCIQJIHHTF-WIYYLYMNSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCCCC3)cc2)[C@H](C)C1 ZINC000265946159 497214534 /nfs/dbraw/zinc/21/45/34/497214534.db2.gz JQMGSCIQJIHHTF-WIYYLYMNSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000237446400 497238045 /nfs/dbraw/zinc/23/80/45/497238045.db2.gz VSJBNBJQPBCWBE-CZTZKLFOSA-N 1 3 365.521 3.003 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000237446400 497238050 /nfs/dbraw/zinc/23/80/50/497238050.db2.gz VSJBNBJQPBCWBE-CZTZKLFOSA-N 1 3 365.521 3.003 20 0 FGADHO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1(C)C ZINC000249767703 497245098 /nfs/dbraw/zinc/24/50/98/497245098.db2.gz ITOSWVYHMBIQKQ-XLBJILASSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H](N)c1ccccc1 ZINC000237484945 497245157 /nfs/dbraw/zinc/24/51/57/497245157.db2.gz JTZLVVMEKALCMW-HRAATJIYSA-N 1 3 364.493 3.478 20 0 FGADHO Brc1cncc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192921404 497247494 /nfs/dbraw/zinc/24/74/94/497247494.db2.gz WWQXTUXHWDLXKY-INIZCTEOSA-N 1 3 360.299 3.456 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000251500252 497274546 /nfs/dbraw/zinc/27/45/46/497274546.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000251500252 497274548 /nfs/dbraw/zinc/27/45/48/497274548.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccc(CN2CCC(CNC(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000237721666 497281978 /nfs/dbraw/zinc/28/19/78/497281978.db2.gz TZICXRPZAPPFLT-UHFFFAOYSA-N 1 3 357.542 3.103 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000266309792 497301403 /nfs/dbraw/zinc/30/14/03/497301403.db2.gz NWVMZJAPUPOZCU-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000266309792 497301407 /nfs/dbraw/zinc/30/14/07/497301407.db2.gz NWVMZJAPUPOZCU-FQEVSTJZSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000189953961 497305200 /nfs/dbraw/zinc/30/52/00/497305200.db2.gz RMZOKLFFZADAAG-IRXDYDNUSA-N 1 3 369.553 3.037 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC[C@H](O)Cc1ccccc1 ZINC000189954412 497305248 /nfs/dbraw/zinc/30/52/48/497305248.db2.gz KZKULHUHFXWAGW-CNNODRBYSA-N 1 3 352.522 3.336 20 0 FGADHO N[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237891503 497308144 /nfs/dbraw/zinc/30/81/44/497308144.db2.gz OTIVOPODTBMXLX-NRFANRHFSA-N 1 3 351.494 3.379 20 0 FGADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237897198 497310823 /nfs/dbraw/zinc/31/08/23/497310823.db2.gz NWUUMGTVTHWXLO-CTXDPNEZSA-N 1 3 373.566 3.137 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314899 /nfs/dbraw/zinc/31/48/99/497314899.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314904 /nfs/dbraw/zinc/31/49/04/497314904.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO NC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000238032246 497330050 /nfs/dbraw/zinc/33/00/50/497330050.db2.gz WLOOVZBZHOVEFP-JOCHJYFZSA-N 1 3 365.521 3.421 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202677 497377012 /nfs/dbraw/zinc/37/70/12/497377012.db2.gz VMLNAAAXGKXYOH-XMTFNYHQSA-N 1 3 363.571 3.338 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202677 497377017 /nfs/dbraw/zinc/37/70/17/497377017.db2.gz VMLNAAAXGKXYOH-XMTFNYHQSA-N 1 3 363.571 3.338 20 0 FGADHO COc1cccc2c1CC[C@H](NCc1ccncc1OCCC[NH+](C)C)C2 ZINC000578277629 505903115 /nfs/dbraw/zinc/90/31/15/505903115.db2.gz HVHPVMFQXKMPOU-IBGZPJMESA-N 1 3 369.509 3.068 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332447 505909462 /nfs/dbraw/zinc/90/94/62/505909462.db2.gz ROIAUMWXBORHCI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332447 505909465 /nfs/dbraw/zinc/90/94/65/505909465.db2.gz ROIAUMWXBORHCI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332447 505909470 /nfs/dbraw/zinc/90/94/70/505909470.db2.gz ROIAUMWXBORHCI-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO Cc1nn(C)c(C)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245666858 497494171 /nfs/dbraw/zinc/49/41/71/497494171.db2.gz GTIHSRJLZIYHEP-MZADTFQBSA-N 1 3 352.526 3.365 20 0 FGADHO Cc1nn(C)c(C)c1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245666858 497494178 /nfs/dbraw/zinc/49/41/78/497494178.db2.gz GTIHSRJLZIYHEP-MZADTFQBSA-N 1 3 352.526 3.365 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312983 497523894 /nfs/dbraw/zinc/52/38/94/497523894.db2.gz CFADBXQOUBJCIP-RXVVDRJESA-N 1 3 372.557 3.069 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272223087 497570192 /nfs/dbraw/zinc/57/01/92/497570192.db2.gz AJHHZQPOIQGWAD-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223087 497570199 /nfs/dbraw/zinc/57/01/99/497570199.db2.gz AJHHZQPOIQGWAD-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223087 497570206 /nfs/dbraw/zinc/57/02/06/497570206.db2.gz AJHHZQPOIQGWAD-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276465797 497581303 /nfs/dbraw/zinc/58/13/03/497581303.db2.gz AWXWDKNVQQJILT-LJQANCHMSA-N 1 3 369.534 3.003 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126892 505916068 /nfs/dbraw/zinc/91/60/68/505916068.db2.gz FICFYIWAAPHXKR-DUXKGJEZSA-N 1 3 354.494 3.166 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126892 505916072 /nfs/dbraw/zinc/91/60/72/505916072.db2.gz FICFYIWAAPHXKR-DUXKGJEZSA-N 1 3 354.494 3.166 20 0 FGADHO COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272557306 497661946 /nfs/dbraw/zinc/66/19/46/497661946.db2.gz TZLBUWSBPRRTBG-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557306 497661955 /nfs/dbraw/zinc/66/19/55/497661955.db2.gz TZLBUWSBPRRTBG-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557306 497661958 /nfs/dbraw/zinc/66/19/58/497661958.db2.gz TZLBUWSBPRRTBG-UCNVEGJOSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000262943361 497662364 /nfs/dbraw/zinc/66/23/64/497662364.db2.gz USAOTGXEFJXCNB-JHBZICRXSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000262943361 497662369 /nfs/dbraw/zinc/66/23/69/497662369.db2.gz USAOTGXEFJXCNB-JHBZICRXSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565373 497664260 /nfs/dbraw/zinc/66/42/60/497664260.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565373 497664262 /nfs/dbraw/zinc/66/42/62/497664262.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000194470661 497677214 /nfs/dbraw/zinc/67/72/14/497677214.db2.gz HWTYPHWPBYPBCD-NRFANRHFSA-N 1 3 372.557 3.115 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1Cl ZINC000263052673 497692107 /nfs/dbraw/zinc/69/21/07/497692107.db2.gz USGMWQBXBAMVBX-KBXCAEBGSA-N 1 3 353.894 3.127 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000246413031 497726123 /nfs/dbraw/zinc/72/61/23/497726123.db2.gz MOFQJSMYYSWTFK-PWRODBHTSA-N 1 3 360.567 3.375 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444655 497736212 /nfs/dbraw/zinc/73/62/12/497736212.db2.gz OUAQAIAZYQUKQE-VWPQPMDRSA-N 1 3 358.574 3.250 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H](N)c1ccccc1 ZINC000263258963 497743838 /nfs/dbraw/zinc/74/38/38/497743838.db2.gz LUHCOIYBMZMBER-RCLSDMTESA-N 1 3 357.542 3.436 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H](N)c1ccccc1 ZINC000263258963 497743842 /nfs/dbraw/zinc/74/38/42/497743842.db2.gz LUHCOIYBMZMBER-RCLSDMTESA-N 1 3 357.542 3.436 20 0 FGADHO C[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000246495810 497753477 /nfs/dbraw/zinc/75/34/77/497753477.db2.gz PQFGZESOPIBGFN-XSLAUPDRSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891081 497818983 /nfs/dbraw/zinc/81/89/83/497818983.db2.gz FKLDNRZFWAAQOM-KZNAEPCWSA-N 1 3 366.571 3.499 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000246890795 497819010 /nfs/dbraw/zinc/81/90/10/497819010.db2.gz DSLCRAKKAWISNO-PVAVHDDUSA-N 1 3 351.922 3.247 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000246890795 497819011 /nfs/dbraw/zinc/81/90/11/497819011.db2.gz DSLCRAKKAWISNO-PVAVHDDUSA-N 1 3 351.922 3.247 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462522 505945474 /nfs/dbraw/zinc/94/54/74/505945474.db2.gz PJJUUFARCUZQNX-HSZRJFAPSA-N 1 3 371.569 3.140 20 0 FGADHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384715 497931838 /nfs/dbraw/zinc/93/18/38/497931838.db2.gz NDHPGFOKXLJQBK-GOSISDBHSA-N 1 3 363.509 3.419 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618872 498052930 /nfs/dbraw/zinc/05/29/30/498052930.db2.gz AYOKRAGCTAETBS-MJGOQNOKSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618872 498052940 /nfs/dbraw/zinc/05/29/40/498052940.db2.gz AYOKRAGCTAETBS-MJGOQNOKSA-N 1 3 357.523 3.233 20 0 FGADHO Cc1cc(=O)oc2cc(OCC[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)ccc12 ZINC000285453486 498090826 /nfs/dbraw/zinc/09/08/26/498090826.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 1 3 356.466 3.037 20 0 FGADHO Cc1cc(=O)oc2cc(OCC[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)ccc12 ZINC000285453486 498090828 /nfs/dbraw/zinc/09/08/28/498090828.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 1 3 356.466 3.037 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626101 505978993 /nfs/dbraw/zinc/97/89/93/505978993.db2.gz VWKBIYDEHFWHDA-QGZVFWFLSA-N 1 3 373.570 3.053 20 0 FGADHO Cc1ccncc1CCC[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000289323135 498105155 /nfs/dbraw/zinc/10/51/55/498105155.db2.gz TZVCOLDMXPZBQK-UHFFFAOYSA-N 1 3 353.510 3.069 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289579775 498203216 /nfs/dbraw/zinc/20/32/16/498203216.db2.gz TWHMSNXPHSWSGF-MOPGFXCFSA-N 1 3 358.482 3.063 20 0 FGADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(Sc2ccccn2)o1 ZINC000292968923 498217196 /nfs/dbraw/zinc/21/71/96/498217196.db2.gz LALIUYDDLGGEEO-MRXNPFEDSA-N 1 3 361.511 3.152 20 0 FGADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(Sc2ccccn2)o1 ZINC000292968923 498217199 /nfs/dbraw/zinc/21/71/99/498217199.db2.gz LALIUYDDLGGEEO-MRXNPFEDSA-N 1 3 361.511 3.152 20 0 FGADHO CCc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000301776344 498259413 /nfs/dbraw/zinc/25/94/13/498259413.db2.gz GROXYIAKKIPHEZ-IBGZPJMESA-N 1 3 352.526 3.404 20 0 FGADHO CCc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000301776344 498259418 /nfs/dbraw/zinc/25/94/18/498259418.db2.gz GROXYIAKKIPHEZ-IBGZPJMESA-N 1 3 352.526 3.404 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000365121708 498306218 /nfs/dbraw/zinc/30/62/18/498306218.db2.gz SIVUGXVYOIKTKP-UHFFFAOYSA-N 1 3 367.497 3.276 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000569834780 506027858 /nfs/dbraw/zinc/02/78/58/506027858.db2.gz PYLDNHKHVUXSDE-GOSISDBHSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000569834780 506027860 /nfs/dbraw/zinc/02/78/60/506027860.db2.gz PYLDNHKHVUXSDE-GOSISDBHSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293530248 498404631 /nfs/dbraw/zinc/40/46/31/498404631.db2.gz DTZVPERNIXHUGN-LPHOPBHVSA-N 1 3 365.477 3.018 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000581634128 506032609 /nfs/dbraw/zinc/03/26/09/506032609.db2.gz AMGOQHXWQLFTHG-SESVDKBCSA-N 1 3 369.553 3.420 20 0 FGADHO CN(CCCN(C)C(=O)NCc1cccc(C[NH+](C)C)c1)Cc1ccco1 ZINC000286627235 498457510 /nfs/dbraw/zinc/45/75/10/498457510.db2.gz VIVNQIBEPZHPCA-UHFFFAOYSA-N 1 3 372.513 3.005 20 0 FGADHO Nc1nccc([C@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856269 506037399 /nfs/dbraw/zinc/03/73/99/506037399.db2.gz NHPHEVDXODYHDW-FQEVSTJZSA-N 1 3 365.525 3.255 20 0 FGADHO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297508498 498474234 /nfs/dbraw/zinc/47/42/34/498474234.db2.gz VREQFLGZAZGZGO-MRXNPFEDSA-N 1 3 362.518 3.333 20 0 FGADHO O=C1O[C@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463230 498479577 /nfs/dbraw/zinc/47/95/77/498479577.db2.gz LONYJJIGQGEWRJ-IBGZPJMESA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463230 498479583 /nfs/dbraw/zinc/47/95/83/498479583.db2.gz LONYJJIGQGEWRJ-IBGZPJMESA-N 1 3 354.494 3.070 20 0 FGADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)s2)cn1 ZINC000282359671 498479943 /nfs/dbraw/zinc/47/99/43/498479943.db2.gz XINMYBYQIWKGIZ-OALUTQOASA-N 1 3 374.554 3.006 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042972 /nfs/dbraw/zinc/04/29/72/506042972.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 1 3 373.585 3.331 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042975 /nfs/dbraw/zinc/04/29/75/506042975.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 1 3 373.585 3.331 20 0 FGADHO CN(C)c1cc(C[NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2n1 ZINC000297652605 498525119 /nfs/dbraw/zinc/52/51/19/498525119.db2.gz NIJFONARQWMCAB-UHFFFAOYSA-N 1 3 361.493 3.454 20 0 FGADHO C[C@@H]1CN(c2ccccc2CNCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000297714329 498545881 /nfs/dbraw/zinc/54/58/81/498545881.db2.gz RGPJOCHDKYIOPS-GOSISDBHSA-N 1 3 353.510 3.263 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000302959685 498634203 /nfs/dbraw/zinc/63/42/03/498634203.db2.gz FUVKUXWZVYJIGW-RBUKOAKNSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000302959685 498634212 /nfs/dbraw/zinc/63/42/12/498634212.db2.gz FUVKUXWZVYJIGW-RBUKOAKNSA-N 1 3 352.567 3.061 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000581819165 506067746 /nfs/dbraw/zinc/06/77/46/506067746.db2.gz GYYDUJHCOVSSIN-LSTHTHJFSA-N 1 3 361.530 3.102 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000365858092 498674179 /nfs/dbraw/zinc/67/41/79/498674179.db2.gz BMWUXBLTDDIKSV-LJQANCHMSA-N 1 3 357.542 3.476 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303505553 498683336 /nfs/dbraw/zinc/68/33/36/498683336.db2.gz AZOJUXMUPBCFNU-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303505553 498683338 /nfs/dbraw/zinc/68/33/38/498683338.db2.gz AZOJUXMUPBCFNU-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CCOC(=O)[C@@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298181535 498688037 /nfs/dbraw/zinc/68/80/37/498688037.db2.gz VNYMXHJLGSKIIK-QFIPXVFZSA-N 1 3 367.493 3.161 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312690824 498760937 /nfs/dbraw/zinc/76/09/37/498760937.db2.gz QJWWSXHKXVYCDD-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690824 498760946 /nfs/dbraw/zinc/76/09/46/498760946.db2.gz QJWWSXHKXVYCDD-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCOCC1 ZINC000576146619 506087349 /nfs/dbraw/zinc/08/73/49/506087349.db2.gz XRFUMKMSCKBVMW-CVEARBPZSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146619 506087353 /nfs/dbraw/zinc/08/73/53/506087353.db2.gz XRFUMKMSCKBVMW-CVEARBPZSA-N 1 3 366.933 3.375 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000291109039 498798628 /nfs/dbraw/zinc/79/86/28/498798628.db2.gz KFNOMAXVOFCJCQ-UHFFFAOYSA-N 1 3 373.463 3.133 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000291152624 498818093 /nfs/dbraw/zinc/81/80/93/498818093.db2.gz YZRVPVJOIMRNOU-UHFFFAOYSA-N 1 3 365.477 3.019 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000324936324 498832629 /nfs/dbraw/zinc/83/26/29/498832629.db2.gz YZPVOVASBRWFEN-YOEHRIQHSA-N 1 3 356.507 3.144 20 0 FGADHO CCOc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC(F)F ZINC000327178619 498853062 /nfs/dbraw/zinc/85/30/62/498853062.db2.gz VEJNEULZFODHLJ-UHFFFAOYSA-N 1 3 358.429 3.017 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295141394 498924353 /nfs/dbraw/zinc/92/43/53/498924353.db2.gz ZUNZHBFAVKLCEF-FMJMRLDVSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141394 498924357 /nfs/dbraw/zinc/92/43/57/498924357.db2.gz ZUNZHBFAVKLCEF-FMJMRLDVSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288188216 498964141 /nfs/dbraw/zinc/96/41/41/498964141.db2.gz PXFRACJNOKSGFN-YLJYHZDGSA-N 1 3 360.546 3.051 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057827 506124185 /nfs/dbraw/zinc/12/41/85/506124185.db2.gz GWRLTRLUVQPFIM-JXFKEZNVSA-N 1 3 372.538 3.453 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057827 506124187 /nfs/dbraw/zinc/12/41/87/506124187.db2.gz GWRLTRLUVQPFIM-JXFKEZNVSA-N 1 3 372.538 3.453 20 0 FGADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H]1C ZINC000283862812 499001937 /nfs/dbraw/zinc/00/19/37/499001937.db2.gz GJWYRJVJCZKSPA-MMOPVJDHSA-N 1 3 374.525 3.227 20 0 FGADHO Cc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c(OCCN(C)C)c1 ZINC000366784722 499073070 /nfs/dbraw/zinc/07/30/70/499073070.db2.gz DXBGFNFSRSZJQI-UHFFFAOYSA-N 1 3 374.529 3.074 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Sc3ccccn3)CC2)CC1 ZINC000367042058 499138313 /nfs/dbraw/zinc/13/83/13/499138313.db2.gz CVGOMHQXGBVMEN-UHFFFAOYSA-N 1 3 362.587 3.054 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000367474237 499203564 /nfs/dbraw/zinc/20/35/64/499203564.db2.gz BOMNETDXNNUKAR-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000367474237 499203565 /nfs/dbraw/zinc/20/35/65/499203565.db2.gz BOMNETDXNNUKAR-UHFFFAOYSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000370763848 499252499 /nfs/dbraw/zinc/25/24/99/499252499.db2.gz PWJXGYVJMUVZPB-VCOUNFBDSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000370763848 499252501 /nfs/dbraw/zinc/25/25/01/499252501.db2.gz PWJXGYVJMUVZPB-VCOUNFBDSA-N 1 3 365.521 3.351 20 0 FGADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007225 499254474 /nfs/dbraw/zinc/25/44/74/499254474.db2.gz PMZLKRGYDNOHTM-HRAATJIYSA-N 1 3 352.526 3.303 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000368624721 499314856 /nfs/dbraw/zinc/31/48/56/499314856.db2.gz OJPCIVGMWALDIM-GOSISDBHSA-N 1 3 370.493 3.411 20 0 FGADHO COC1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355550 /nfs/dbraw/zinc/35/55/50/499355550.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 1 3 358.526 3.169 20 0 FGADHO COC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355551 /nfs/dbraw/zinc/35/55/51/499355551.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 1 3 358.526 3.169 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369661934 499433319 /nfs/dbraw/zinc/43/33/19/499433319.db2.gz PXXVBZRRLMSPHG-IBGZPJMESA-N 1 3 372.557 3.064 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369661934 499433321 /nfs/dbraw/zinc/43/33/21/499433321.db2.gz PXXVBZRRLMSPHG-IBGZPJMESA-N 1 3 372.557 3.064 20 0 FGADHO CN(C)c1ccncc1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373494023 499473229 /nfs/dbraw/zinc/47/32/29/499473229.db2.gz JTKHTTKYAAXZJI-UHFFFAOYSA-N 1 3 356.436 3.043 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378425930 499515751 /nfs/dbraw/zinc/51/57/51/499515751.db2.gz GTGVSYCSXUZYIJ-YJBOKZPZSA-N 1 3 367.484 3.449 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378425930 499515753 /nfs/dbraw/zinc/51/57/53/499515753.db2.gz GTGVSYCSXUZYIJ-YJBOKZPZSA-N 1 3 367.484 3.449 20 0 FGADHO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000378440853 499517062 /nfs/dbraw/zinc/51/70/62/499517062.db2.gz CWGYCRREDZLTQM-MJGOQNOKSA-N 1 3 366.509 3.084 20 0 FGADHO COc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495683 499551212 /nfs/dbraw/zinc/55/12/12/499551212.db2.gz FXHRJXXMRQOCRU-KRWDZBQOSA-N 1 3 354.450 3.036 20 0 FGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586232 499554488 /nfs/dbraw/zinc/55/44/88/499554488.db2.gz FOMNDEZJUVGAIO-QIJUGHKUSA-N 1 3 351.494 3.012 20 0 FGADHO CCOc1ccccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486483 499563863 /nfs/dbraw/zinc/56/38/63/499563863.db2.gz CJTHGJQFFALUIV-UHFFFAOYSA-N 1 3 354.494 3.202 20 0 FGADHO COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1Cl ZINC000397675708 499564647 /nfs/dbraw/zinc/56/46/47/499564647.db2.gz JLPXBBQKVJLQMP-UHFFFAOYSA-N 1 3 374.912 3.465 20 0 FGADHO CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000375906447 499567405 /nfs/dbraw/zinc/56/74/05/499567405.db2.gz PFMBLLSJTFTDGD-OAQYLSRUSA-N 1 3 371.569 3.415 20 0 FGADHO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1C ZINC000375906447 499567407 /nfs/dbraw/zinc/56/74/07/499567407.db2.gz PFMBLLSJTFTDGD-OAQYLSRUSA-N 1 3 371.569 3.415 20 0 FGADHO COc1ccc2ccccc2c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000377240617 499673096 /nfs/dbraw/zinc/67/30/96/499673096.db2.gz DLQCAKPLWOXILZ-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000377266319 499675360 /nfs/dbraw/zinc/67/53/60/499675360.db2.gz PZUFYOJFZHJASX-LAUBAEHRSA-N 1 3 372.557 3.384 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411172913 499706331 /nfs/dbraw/zinc/70/63/31/499706331.db2.gz KEPVDBIPCAQOFS-GOSISDBHSA-N 1 3 366.571 3.202 20 0 FGADHO CN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634822 499713599 /nfs/dbraw/zinc/71/35/99/499713599.db2.gz YUFKHYREGQCGBG-MRXNPFEDSA-N 1 3 350.576 3.041 20 0 FGADHO CN1CCC(N2CCC([NH2+]C3CC(c4cc(F)cc(F)c4)C3)CC2)CC1 ZINC000377640916 499714027 /nfs/dbraw/zinc/71/40/27/499714027.db2.gz CMDDZGTVZYGYTG-UHFFFAOYSA-N 1 3 363.496 3.359 20 0 FGADHO Cn1c2ccc(C[N@H+](C)C3CCN(c4ccncc4)CC3)cc2sc1=O ZINC000377698568 499721786 /nfs/dbraw/zinc/72/17/86/499721786.db2.gz PULGRINKCLBEDR-UHFFFAOYSA-N 1 3 368.506 3.096 20 0 FGADHO Cn1c2ccc(C[N@@H+](C)C3CCN(c4ccncc4)CC3)cc2sc1=O ZINC000377698568 499721788 /nfs/dbraw/zinc/72/17/88/499721788.db2.gz PULGRINKCLBEDR-UHFFFAOYSA-N 1 3 368.506 3.096 20 0 FGADHO C[N@H+](Cc1ccccc1N1CCOCC1)C1CCN(c2ccncc2)CC1 ZINC000377708219 499723356 /nfs/dbraw/zinc/72/33/56/499723356.db2.gz YFTONZUJOYWYTC-UHFFFAOYSA-N 1 3 366.509 3.019 20 0 FGADHO C[N@@H+](Cc1ccccc1N1CCOCC1)C1CCN(c2ccncc2)CC1 ZINC000377708219 499723358 /nfs/dbraw/zinc/72/33/58/499723358.db2.gz YFTONZUJOYWYTC-UHFFFAOYSA-N 1 3 366.509 3.019 20 0 FGADHO c1cn(-c2ccc(C[N@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729247 /nfs/dbraw/zinc/72/92/47/499729247.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 1 3 373.504 3.221 20 0 FGADHO c1cn(-c2ccc(C[N@@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729248 /nfs/dbraw/zinc/72/92/48/499729248.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 1 3 373.504 3.221 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000411443469 499741059 /nfs/dbraw/zinc/74/10/59/499741059.db2.gz CIHLFKQSHJVBHB-IBGZPJMESA-N 1 3 363.521 3.493 20 0 FGADHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000411515219 499750249 /nfs/dbraw/zinc/75/02/49/499750249.db2.gz UZTSAQIHEAYGDS-QGZVFWFLSA-N 1 3 351.560 3.414 20 0 FGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1(C)C ZINC000414305776 499776073 /nfs/dbraw/zinc/77/60/73/499776073.db2.gz NQRSHECDNFPEMT-WOJBJXKFSA-N 1 3 360.542 3.195 20 0 FGADHO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000414308707 499776503 /nfs/dbraw/zinc/77/65/03/499776503.db2.gz IQNUQCUWJKASQU-QFBILLFUSA-N 1 3 360.473 3.193 20 0 FGADHO OC[C@@]1([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775496 499789486 /nfs/dbraw/zinc/78/94/86/499789486.db2.gz XXUOURLXODRYAV-FGZHOGPDSA-N 1 3 358.526 3.082 20 0 FGADHO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785391 499790304 /nfs/dbraw/zinc/79/03/04/499790304.db2.gz JRVBQLZJLVXRLG-YPAWHYETSA-N 1 3 358.526 3.034 20 0 FGADHO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785391 499790306 /nfs/dbraw/zinc/79/03/06/499790306.db2.gz JRVBQLZJLVXRLG-YPAWHYETSA-N 1 3 358.526 3.034 20 0 FGADHO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785385 499790312 /nfs/dbraw/zinc/79/03/12/499790312.db2.gz JRVBQLZJLVXRLG-BHDDXSALSA-N 1 3 358.526 3.034 20 0 FGADHO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785385 499790314 /nfs/dbraw/zinc/79/03/14/499790314.db2.gz JRVBQLZJLVXRLG-BHDDXSALSA-N 1 3 358.526 3.034 20 0 FGADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414551249 499807245 /nfs/dbraw/zinc/80/72/45/499807245.db2.gz FBQICQQRPQIVPF-GCJKJVERSA-N 1 3 369.553 3.466 20 0 FGADHO CC(C)C(C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000414554368 499807659 /nfs/dbraw/zinc/80/76/59/499807659.db2.gz KJWUQLGYJCOSCD-UHFFFAOYSA-N 1 3 359.558 3.402 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997460 499811617 /nfs/dbraw/zinc/81/16/17/499811617.db2.gz IAMLXJHOLZDUSK-LEWJYISDSA-N 1 3 357.542 3.245 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714843 499822234 /nfs/dbraw/zinc/82/22/34/499822234.db2.gz VYWYIVUEWAKVJA-NHCUHLMSSA-N 1 3 357.542 3.061 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714843 499822235 /nfs/dbraw/zinc/82/22/35/499822235.db2.gz VYWYIVUEWAKVJA-NHCUHLMSSA-N 1 3 357.542 3.061 20 0 FGADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414741566 499825671 /nfs/dbraw/zinc/82/56/71/499825671.db2.gz RZSJIGLSIXPIDI-STQMWFEESA-N 1 3 357.420 3.143 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414847724 499837384 /nfs/dbraw/zinc/83/73/84/499837384.db2.gz GAIPGPYSXFGCSE-MCIONIFRSA-N 1 3 368.319 3.144 20 0 FGADHO CCCNCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414874943 499840011 /nfs/dbraw/zinc/84/00/11/499840011.db2.gz TXJJVALDKUZNMS-UHFFFAOYSA-N 1 3 354.336 3.003 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H](C)C[NH3+] ZINC000414882827 499840947 /nfs/dbraw/zinc/84/09/47/499840947.db2.gz UPDOOUHRWNOEEA-VHSXEESVSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](C)CN ZINC000414882827 499840949 /nfs/dbraw/zinc/84/09/49/499840949.db2.gz UPDOOUHRWNOEEA-VHSXEESVSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414917931 499844725 /nfs/dbraw/zinc/84/47/25/499844725.db2.gz SNCYAYHHODTWHO-CXAGYDPISA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414917931 499844723 /nfs/dbraw/zinc/84/47/23/499844723.db2.gz SNCYAYHHODTWHO-CXAGYDPISA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415072081 499860629 /nfs/dbraw/zinc/86/06/29/499860629.db2.gz XOGDGKCMLTUMOP-LRDDRELGSA-N 1 3 373.419 3.409 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000415071996 499860663 /nfs/dbraw/zinc/86/06/63/499860663.db2.gz UZUNKFSQCXNJIW-QGZVFWFLSA-N 1 3 366.347 3.145 20 0 FGADHO Brc1ccccc1CN1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415071996 499860664 /nfs/dbraw/zinc/86/06/64/499860664.db2.gz UZUNKFSQCXNJIW-QGZVFWFLSA-N 1 3 366.347 3.145 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111984 499865153 /nfs/dbraw/zinc/86/51/53/499865153.db2.gz RQYAMXJDKZQSHR-IAGOWNOFSA-N 1 3 358.404 3.304 20 0 FGADHO C[C@@]1(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111272 499865213 /nfs/dbraw/zinc/86/52/13/499865213.db2.gz UGHSPCPNBMBTOG-DUXKGJEZSA-N 1 3 352.482 3.090 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124418 499866836 /nfs/dbraw/zinc/86/68/36/499866836.db2.gz KFAWNPSAMNHPFG-MSOLQXFVSA-N 1 3 372.431 3.346 20 0 FGADHO CCCOc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415129389 499867790 /nfs/dbraw/zinc/86/77/90/499867790.db2.gz PIPFELILCXSJHN-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000415304733 499885128 /nfs/dbraw/zinc/88/51/28/499885128.db2.gz GEXTWQXZFDIYHE-FXAWDEMLSA-N 1 3 374.529 3.142 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415309085 499885290 /nfs/dbraw/zinc/88/52/90/499885290.db2.gz MILQJEKOYUBHFL-SFHVURJKSA-N 1 3 362.518 3.190 20 0 FGADHO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415309815 499885386 /nfs/dbraw/zinc/88/53/86/499885386.db2.gz NLZAYXWIRLOTDB-FQEVSTJZSA-N 1 3 362.518 3.046 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415309799 499885414 /nfs/dbraw/zinc/88/54/14/499885414.db2.gz NJAWUGDAFUYIQS-QZTJIDSGSA-N 1 3 374.529 3.190 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415560513 499902086 /nfs/dbraw/zinc/90/20/86/499902086.db2.gz FXIAYXPDBRKRQZ-LJQANCHMSA-N 1 3 354.498 3.175 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415880213 499923816 /nfs/dbraw/zinc/92/38/16/499923816.db2.gz FBRPUPGUNZHJOF-IRXDYDNUSA-N 1 3 358.530 3.212 20 0 FGADHO CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415901159 499926151 /nfs/dbraw/zinc/92/61/51/499926151.db2.gz UNHDJNAYWOWNQQ-OAQYLSRUSA-N 1 3 364.493 3.071 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000415916187 499928010 /nfs/dbraw/zinc/92/80/10/499928010.db2.gz BAAKPINVPZYSST-IBGZPJMESA-N 1 3 354.498 3.091 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415943011 499931408 /nfs/dbraw/zinc/93/14/08/499931408.db2.gz LERHIIBZHOLSBU-FQEVSTJZSA-N 1 3 352.482 3.144 20 0 FGADHO CCN(CC)[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415952440 499932749 /nfs/dbraw/zinc/93/27/49/499932749.db2.gz DKEKIEIXBZNGBU-HXUWFJFHSA-N 1 3 370.497 3.229 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972298 499935752 /nfs/dbraw/zinc/93/57/52/499935752.db2.gz HZIFPYRLEGSAKP-UZLBHIALSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976870 499936177 /nfs/dbraw/zinc/93/61/77/499936177.db2.gz VYDSXSHVZHDXKS-STQMWFEESA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976870 499936178 /nfs/dbraw/zinc/93/61/78/499936178.db2.gz VYDSXSHVZHDXKS-STQMWFEESA-N 1 3 372.435 3.406 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000415986794 499937732 /nfs/dbraw/zinc/93/77/32/499937732.db2.gz VRRVUXYHIILJTC-INIZCTEOSA-N 1 3 367.497 3.148 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996080 499939179 /nfs/dbraw/zinc/93/91/79/499939179.db2.gz LYNIBBLNZXNYCT-IRXDYDNUSA-N 1 3 356.514 3.408 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996080 499939181 /nfs/dbraw/zinc/93/91/81/499939181.db2.gz LYNIBBLNZXNYCT-IRXDYDNUSA-N 1 3 356.514 3.408 20 0 FGADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415998205 499939490 /nfs/dbraw/zinc/93/94/90/499939490.db2.gz RQPCSEWWGCRNOS-QGZVFWFLSA-N 1 3 356.514 3.410 20 0 FGADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416008688 499940463 /nfs/dbraw/zinc/94/04/63/499940463.db2.gz MQMVHGCXCLYBGT-OAQYLSRUSA-N 1 3 364.493 3.322 20 0 FGADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416008688 499940465 /nfs/dbraw/zinc/94/04/65/499940465.db2.gz MQMVHGCXCLYBGT-OAQYLSRUSA-N 1 3 364.493 3.322 20 0 FGADHO O=C(CCN1CCc2ccccc2C1)NCCCCC[NH+]1CCCCC1 ZINC000416161830 499964707 /nfs/dbraw/zinc/96/47/07/499964707.db2.gz SASZIWVEJBWASU-UHFFFAOYSA-N 1 3 357.542 3.207 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)CC(C)C ZINC000570438149 506167700 /nfs/dbraw/zinc/16/77/00/506167700.db2.gz RVZZYTWWHFUUJL-PKOBYXMFSA-N 1 3 354.583 3.115 20 0 FGADHO C[C@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000576478218 506168217 /nfs/dbraw/zinc/16/82/17/506168217.db2.gz SSPHKXGNCMHZPT-AVRDEDQJSA-N 1 3 365.521 3.184 20 0 FGADHO C(=C/C[N@@H+]1CCOC[C@H](C2CCC2)C1)\CN1CCOC[C@H](C2CCC2)C1 ZINC000429033361 499989343 /nfs/dbraw/zinc/98/93/43/499989343.db2.gz FXGXBHVOWWNDLV-HSMZSTHASA-N 1 3 362.558 3.040 20 0 FGADHO C(=C/C[N@H+]1CCOC[C@H](C2CCC2)C1)\CN1CCOC[C@H](C2CCC2)C1 ZINC000429033361 499989346 /nfs/dbraw/zinc/98/93/46/499989346.db2.gz FXGXBHVOWWNDLV-HSMZSTHASA-N 1 3 362.558 3.040 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000421365281 500028893 /nfs/dbraw/zinc/02/88/93/500028893.db2.gz BAPMYPUCCOCGIT-UHFFFAOYSA-N 1 3 362.587 3.403 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000421365281 500028897 /nfs/dbraw/zinc/02/88/97/500028897.db2.gz BAPMYPUCCOCGIT-UHFFFAOYSA-N 1 3 362.587 3.403 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(CC(F)F)C2)CC1 ZINC000417381094 500054364 /nfs/dbraw/zinc/05/43/64/500054364.db2.gz ICBKEICIODECRG-LPHOPBHVSA-N 1 3 351.485 3.011 20 0 FGADHO C[C@H](CN[C@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCN(C)CC1 ZINC000414068935 500144075 /nfs/dbraw/zinc/14/40/75/500144075.db2.gz IVYPNRBFXILFTD-IAGOWNOFSA-N 1 3 358.555 3.344 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000416887824 500147781 /nfs/dbraw/zinc/14/77/81/500147781.db2.gz OBHMSBQUAKLDHO-OAQYLSRUSA-N 1 3 368.525 3.371 20 0 FGADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccncc1Cl ZINC000421839497 500161757 /nfs/dbraw/zinc/16/17/57/500161757.db2.gz XEIOYRNBJHTOSV-INIZCTEOSA-N 1 3 350.938 3.336 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCCC(=O)Nc2cccnc2)C1 ZINC000579464545 506180982 /nfs/dbraw/zinc/18/09/82/506180982.db2.gz YRAXHOXIVRVYLU-GOSISDBHSA-N 1 3 366.509 3.432 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCCC(=O)Nc2cccnc2)C1 ZINC000579464545 506180987 /nfs/dbraw/zinc/18/09/87/506180987.db2.gz YRAXHOXIVRVYLU-GOSISDBHSA-N 1 3 366.509 3.432 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1ccsc1 ZINC000417006546 500182523 /nfs/dbraw/zinc/18/25/23/500182523.db2.gz JSTUHQWMTRJDOX-DJIMGWMZSA-N 1 3 352.548 3.042 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843040 500182749 /nfs/dbraw/zinc/18/27/49/500182749.db2.gz QDEREZIVFKRAMQ-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000417852487 500184315 /nfs/dbraw/zinc/18/43/15/500184315.db2.gz ZKTRXQMRZQHTIC-IWFBPKFRSA-N 1 3 372.557 3.104 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417860905 500185917 /nfs/dbraw/zinc/18/59/17/500185917.db2.gz ZJDWYNDAUAVLLO-ZCNNSNEGSA-N 1 3 354.498 3.012 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418002370 500212287 /nfs/dbraw/zinc/21/22/87/500212287.db2.gz XONXCYYZNHJNMU-PLMTUMEDSA-N 1 3 372.557 3.201 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418002370 500212291 /nfs/dbraw/zinc/21/22/91/500212291.db2.gz XONXCYYZNHJNMU-PLMTUMEDSA-N 1 3 372.557 3.201 20 0 FGADHO OC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000418094991 500228459 /nfs/dbraw/zinc/22/84/59/500228459.db2.gz IRHHOTYYPZHJAA-FCHUYYIVSA-N 1 3 350.506 3.407 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418150639 500237697 /nfs/dbraw/zinc/23/76/97/500237697.db2.gz DCCGFGOVKNWBGL-WOJBJXKFSA-N 1 3 374.573 3.302 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150820 500237797 /nfs/dbraw/zinc/23/77/97/500237797.db2.gz DKDSQTBDGMDLHR-WOJBJXKFSA-N 1 3 372.557 3.104 20 0 FGADHO CCCN(C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)C1CC[NH2+]CC1 ZINC000418162180 500239772 /nfs/dbraw/zinc/23/97/72/500239772.db2.gz CGCSIVMQPSCXEZ-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163596 500240257 /nfs/dbraw/zinc/24/02/57/500240257.db2.gz DRMJMVYGZVQVAT-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)C ZINC000418182907 500244256 /nfs/dbraw/zinc/24/42/56/500244256.db2.gz NJVCOFLIOLPXHW-UIFIKXQLSA-N 1 3 372.557 3.160 20 0 FGADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430542538 500251552 /nfs/dbraw/zinc/25/15/52/500251552.db2.gz KTVCZTYDTAPSKC-GJZGRUSLSA-N 1 3 351.922 3.227 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000418354367 500267352 /nfs/dbraw/zinc/26/73/52/500267352.db2.gz OJEXOULQWFLONP-UXHICEINSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000418354367 500267354 /nfs/dbraw/zinc/26/73/54/500267354.db2.gz OJEXOULQWFLONP-UXHICEINSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000418363385 500268867 /nfs/dbraw/zinc/26/88/67/500268867.db2.gz VRBICVMYJLCZDV-PWIZWCRZSA-N 1 3 358.530 3.078 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418421748 500274261 /nfs/dbraw/zinc/27/42/61/500274261.db2.gz CUUDNFGYPYFEDH-GHTZIAJQSA-N 1 3 372.557 3.373 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418421748 500274264 /nfs/dbraw/zinc/27/42/64/500274264.db2.gz CUUDNFGYPYFEDH-GHTZIAJQSA-N 1 3 372.557 3.373 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418501814 500284993 /nfs/dbraw/zinc/28/49/93/500284993.db2.gz SRTGBGXYAJSZNY-FQEVSTJZSA-N 1 3 354.498 3.012 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]1NCCSCCOc1cccc(Br)c1 ZINC000422710493 500287961 /nfs/dbraw/zinc/28/79/61/500287961.db2.gz LIROPMXJOHQYPP-HUUCEWRRSA-N 1 3 359.333 3.031 20 0 FGADHO Cc1nc(CN2CCC(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)N)CC2)oc1C ZINC000422712361 500288646 /nfs/dbraw/zinc/28/86/46/500288646.db2.gz OBFVKXPGPZBMNV-IIBYNOLFSA-N 1 3 370.541 3.052 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590898 500294409 /nfs/dbraw/zinc/29/44/09/500294409.db2.gz UGLYKWSCXFRQRQ-HKUYNNGSSA-N 1 3 370.541 3.086 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418590898 500294411 /nfs/dbraw/zinc/29/44/11/500294411.db2.gz UGLYKWSCXFRQRQ-HKUYNNGSSA-N 1 3 370.541 3.086 20 0 FGADHO CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)N[C@@H](C)c1ccccc1 ZINC000422760680 500295300 /nfs/dbraw/zinc/29/53/00/500295300.db2.gz LCPVAANTVSUYFO-IOMROCGXSA-N 1 3 359.558 3.253 20 0 FGADHO CCC(CC)(CN[C@H](C1CC1)[C@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000422760680 500295303 /nfs/dbraw/zinc/29/53/03/500295303.db2.gz LCPVAANTVSUYFO-IOMROCGXSA-N 1 3 359.558 3.253 20 0 FGADHO Fc1ccc(OCCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422780810 500296678 /nfs/dbraw/zinc/29/66/78/500296678.db2.gz KQMREXHXZKUWBH-FPOVZHCZSA-N 1 3 356.441 3.440 20 0 FGADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000418652621 500301048 /nfs/dbraw/zinc/30/10/48/500301048.db2.gz MYLHCLPILLARQK-HXUWFJFHSA-N 1 3 372.513 3.005 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418658064 500302377 /nfs/dbraw/zinc/30/23/77/500302377.db2.gz VFURETBBLIZOPL-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)CC1 ZINC000418667973 500304642 /nfs/dbraw/zinc/30/46/42/500304642.db2.gz GBPQUMIKOXPYMZ-VIQWUECVSA-N 1 3 352.567 3.046 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672627 500304721 /nfs/dbraw/zinc/30/47/21/500304721.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672627 500304723 /nfs/dbraw/zinc/30/47/23/500304723.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 1 3 367.537 3.128 20 0 FGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1(CN2CCOCC2)CCCCC1 ZINC000422845302 500305027 /nfs/dbraw/zinc/30/50/27/500305027.db2.gz BNVSIWYRAKRNJT-PWRODBHTSA-N 1 3 363.590 3.170 20 0 FGADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422851671 500306137 /nfs/dbraw/zinc/30/61/37/500306137.db2.gz PKSATYBRCLQWHR-FUMNGEBKSA-N 1 3 357.542 3.422 20 0 FGADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422861165 500306505 /nfs/dbraw/zinc/30/65/05/500306505.db2.gz MJNCBOPJDIJAQH-SESVDKBCSA-N 1 3 373.516 3.331 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918544 500306563 /nfs/dbraw/zinc/30/65/63/500306563.db2.gz HTWNFEDQQWBXAO-DLBZAZTESA-N 1 3 357.542 3.063 20 0 FGADHO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422865330 500307120 /nfs/dbraw/zinc/30/71/20/500307120.db2.gz XSMYFFVCUQRONZ-CQSZACIVSA-N 1 3 357.498 3.494 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430925718 500307891 /nfs/dbraw/zinc/30/78/91/500307891.db2.gz MDCQKUMCARQUSF-DLBZAZTESA-N 1 3 353.510 3.337 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877577 500309593 /nfs/dbraw/zinc/30/95/93/500309593.db2.gz IBXNTEPDAWGLAJ-ARFHVFGLSA-N 1 3 354.441 3.349 20 0 FGADHO COc1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897135 500312843 /nfs/dbraw/zinc/31/28/43/500312843.db2.gz JCQLLYGVOQQLRM-QHAWAJNXSA-N 1 3 358.526 3.254 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906769 500314751 /nfs/dbraw/zinc/31/47/51/500314751.db2.gz KIORKMYJESBENT-BJZITVGISA-N 1 3 353.913 3.421 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916283 500316177 /nfs/dbraw/zinc/31/61/77/500316177.db2.gz DFJRVIYQJGYABN-YADHBBJMSA-N 1 3 350.510 3.381 20 0 FGADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422929018 500318500 /nfs/dbraw/zinc/31/85/00/500318500.db2.gz NXZLDZSNDBQFKW-PWRODBHTSA-N 1 3 362.514 3.373 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)c1 ZINC000422929018 500318503 /nfs/dbraw/zinc/31/85/03/500318503.db2.gz NXZLDZSNDBQFKW-PWRODBHTSA-N 1 3 362.514 3.373 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952591 500322362 /nfs/dbraw/zinc/32/23/62/500322362.db2.gz BKYQSVJXOFDSLM-LAUBAEHRSA-N 1 3 372.557 3.041 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422952797 500323077 /nfs/dbraw/zinc/32/30/77/500323077.db2.gz DJHANLPNESVEEY-OXJNMPFZSA-N 1 3 364.493 3.390 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(-c3ccccc3)o2)CC[NH2+]CC1 ZINC000422967135 500324974 /nfs/dbraw/zinc/32/49/74/500324974.db2.gz BGGWTUZFWQLMFP-MRXNPFEDSA-N 1 3 356.466 3.358 20 0 FGADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCCC[C@H]3N)c2)n1 ZINC000423082203 500339693 /nfs/dbraw/zinc/33/96/93/500339693.db2.gz WMMNAMOKEHYHOO-CVEARBPZSA-N 1 3 359.495 3.346 20 0 FGADHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087749 500340711 /nfs/dbraw/zinc/34/07/11/500340711.db2.gz QGJBDAWMBAODSX-NHHFINERSA-N 1 3 359.480 3.302 20 0 FGADHO CN(C)C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103283 500342702 /nfs/dbraw/zinc/34/27/02/500342702.db2.gz GFKIXWHBBKLYJG-URVUXULASA-N 1 3 369.484 3.274 20 0 FGADHO COCCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)c1ccc(Cl)cc1 ZINC000423111097 500343927 /nfs/dbraw/zinc/34/39/27/500343927.db2.gz VSWJIQPJBCGFLT-YCEFEEMOSA-N 1 3 354.922 3.192 20 0 FGADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423143880 500347771 /nfs/dbraw/zinc/34/77/71/500347771.db2.gz FHNQFJYLTNNYCW-KURKYZTESA-N 1 3 370.946 3.014 20 0 FGADHO CC[C@H](COCC(F)(F)F)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148390 500348575 /nfs/dbraw/zinc/34/85/75/500348575.db2.gz VMDKEARMZXASDG-UKPHBRMFSA-N 1 3 358.404 3.189 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1OC ZINC000423160199 500349735 /nfs/dbraw/zinc/34/97/35/500349735.db2.gz ZDSBMARTYGKUIT-IRXDYDNUSA-N 1 3 350.503 3.142 20 0 FGADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423209790 500355429 /nfs/dbraw/zinc/35/54/29/500355429.db2.gz VQQSTHNBWOPXHL-NSHDSACASA-N 1 3 369.353 3.280 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000423218784 500356227 /nfs/dbraw/zinc/35/62/27/500356227.db2.gz WBJFOMHALRYLTK-ZFWWWQNUSA-N 1 3 372.294 3.202 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290052 500361667 /nfs/dbraw/zinc/36/16/67/500361667.db2.gz CCRFCIFLGUPOBG-XMSQKQJNSA-N 1 3 353.510 3.178 20 0 FGADHO CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301038 500362734 /nfs/dbraw/zinc/36/27/34/500362734.db2.gz FEKPSDJUTNSKOS-PMACEKPBSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423334268 500364646 /nfs/dbraw/zinc/36/46/46/500364646.db2.gz SMYFFZZFYAFWMG-MRXNPFEDSA-N 1 3 350.466 3.445 20 0 FGADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000431339882 500365901 /nfs/dbraw/zinc/36/59/01/500365901.db2.gz ZNQKEQHFLXTTTF-YLJYHZDGSA-N 1 3 373.541 3.201 20 0 FGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372178 500368491 /nfs/dbraw/zinc/36/84/91/500368491.db2.gz AWZOMQFEGOCDSP-KBXCAEBGSA-N 1 3 351.416 3.327 20 0 FGADHO CC(C)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000423391014 500369621 /nfs/dbraw/zinc/36/96/21/500369621.db2.gz OYOSDJUXEDOZHS-JKSUJKDBSA-N 1 3 365.390 3.088 20 0 FGADHO Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399698 500370276 /nfs/dbraw/zinc/37/02/76/500370276.db2.gz WOLIPPHMLCIPCW-DGCLKSJQSA-N 1 3 364.481 3.062 20 0 FGADHO COCC1(CN[C@H]2CCc3c2c(Br)ccc3F)CC[NH2+]CC1 ZINC000423406166 500370985 /nfs/dbraw/zinc/37/09/85/500370985.db2.gz KEJOWMABXCFFNL-HNNXBMFYSA-N 1 3 371.294 3.181 20 0 FGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512030 500380282 /nfs/dbraw/zinc/38/02/82/500380282.db2.gz UFVWUWJWCDHHBK-KBXCAEBGSA-N 1 3 364.486 3.360 20 0 FGADHO CCc1ccccc1[C@H](N)CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423513938 500380959 /nfs/dbraw/zinc/38/09/59/500380959.db2.gz VVVWNKZQKXTJBD-VSKRKVRLSA-N 1 3 353.510 3.340 20 0 FGADHO Fc1ccc([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccc2)nc1 ZINC000423525294 500382117 /nfs/dbraw/zinc/38/21/17/500382117.db2.gz YAJAOKBNUQWUNA-QETWGEEDSA-N 1 3 368.500 3.116 20 0 FGADHO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423527228 500382430 /nfs/dbraw/zinc/38/24/30/500382430.db2.gz MBGNUNQXNHFNLZ-LSTHTHJFSA-N 1 3 354.494 3.288 20 0 FGADHO COc1ccc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1F ZINC000423577734 500386200 /nfs/dbraw/zinc/38/62/00/500386200.db2.gz SREZBEMTTHJFHJ-QGZVFWFLSA-N 1 3 371.500 3.478 20 0 FGADHO CC1(C(=O)NCc2ccc3c(c2)CNC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423583248 500386582 /nfs/dbraw/zinc/38/65/82/500386582.db2.gz BWZRCYOSSLAZQA-UHFFFAOYSA-N 1 3 363.505 3.208 20 0 FGADHO COc1cc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)ccc1F ZINC000423580746 500387070 /nfs/dbraw/zinc/38/70/70/500387070.db2.gz YJLPNOAJGFHYAK-KRWDZBQOSA-N 1 3 371.500 3.478 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000423749318 500398626 /nfs/dbraw/zinc/39/86/26/500398626.db2.gz RNEQJPGKTXHNMU-IBGZPJMESA-N 1 3 365.521 3.487 20 0 FGADHO [NH3+]CCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423753206 500399613 /nfs/dbraw/zinc/39/96/13/500399613.db2.gz WZJGFYZGNZDPAM-UHFFFAOYSA-N 1 3 358.313 3.157 20 0 FGADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427503775 500399716 /nfs/dbraw/zinc/39/97/16/500399716.db2.gz FSTYYALGRYAQLI-PMACEKPBSA-N 1 3 372.557 3.045 20 0 FGADHO NC[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000423769155 500400048 /nfs/dbraw/zinc/40/00/48/500400048.db2.gz FWQMDLKRCMQWCR-HXUWFJFHSA-N 1 3 355.457 3.145 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423839857 500409868 /nfs/dbraw/zinc/40/98/68/500409868.db2.gz DNGAERPANBDCKM-AHRSYUTCSA-N 1 3 358.530 3.021 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000431700441 500411009 /nfs/dbraw/zinc/41/10/09/500411009.db2.gz VGTNIQBDYATOSI-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697107 500421643 /nfs/dbraw/zinc/42/16/43/500421643.db2.gz MFFGWABRSQLTBN-FUHWJXTLSA-N 1 3 361.555 3.017 20 0 FGADHO C[C@](C[NH3+])(NCCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297659 500435658 /nfs/dbraw/zinc/43/56/58/500435658.db2.gz ZAFLUTSPAUNGGQ-VQTJNVASSA-N 1 3 357.523 3.061 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295022 500435772 /nfs/dbraw/zinc/43/57/72/500435772.db2.gz BUBDXPDCJUEEHC-UWJYYQICSA-N 1 3 351.494 3.034 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304895 500437637 /nfs/dbraw/zinc/43/76/37/500437637.db2.gz OWGNHHORDXPJGN-FQEVSTJZSA-N 1 3 353.510 3.470 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304895 500437641 /nfs/dbraw/zinc/43/76/41/500437641.db2.gz OWGNHHORDXPJGN-FQEVSTJZSA-N 1 3 353.510 3.470 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000431894845 500440393 /nfs/dbraw/zinc/44/03/93/500440393.db2.gz VICVZTSOGFVMRA-QFIPXVFZSA-N 1 3 365.521 3.244 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331430 500443485 /nfs/dbraw/zinc/44/34/85/500443485.db2.gz BXORDXZSRLBSFW-ZCLUNYJNSA-N 1 3 357.542 3.136 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374649 500450347 /nfs/dbraw/zinc/45/03/47/500450347.db2.gz HSVQUFXHRPFYDE-ROUUACIJSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389029 500453560 /nfs/dbraw/zinc/45/35/60/500453560.db2.gz XSYVFOZQEDZKKH-ZWKOTPCHSA-N 1 3 372.431 3.303 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430917 500503486 /nfs/dbraw/zinc/50/34/86/500503486.db2.gz DVPAFHYBGNTXHB-UWJYYQICSA-N 1 3 366.509 3.486 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424434363 500504727 /nfs/dbraw/zinc/50/47/27/500504727.db2.gz JPOBZWBFHRWQRW-UHFFFAOYSA-N 1 3 354.498 3.358 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420888840 500523039 /nfs/dbraw/zinc/52/30/39/500523039.db2.gz HMPDPBQEMWVRQB-PELRDEGISA-N 1 3 372.557 3.023 20 0 FGADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000573482080 506201751 /nfs/dbraw/zinc/20/17/51/506201751.db2.gz FDTVDSXEMGPWIQ-NQIIRXRSSA-N 1 3 370.541 3.065 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000420982037 500547847 /nfs/dbraw/zinc/54/78/47/500547847.db2.gz OIBCEJOKELKPQB-UHFFFAOYSA-N 1 3 357.542 3.060 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000420982037 500547850 /nfs/dbraw/zinc/54/78/50/500547850.db2.gz OIBCEJOKELKPQB-UHFFFAOYSA-N 1 3 357.542 3.060 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000420982037 500547854 /nfs/dbraw/zinc/54/78/54/500547854.db2.gz OIBCEJOKELKPQB-UHFFFAOYSA-N 1 3 357.542 3.060 20 0 FGADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000573483090 506202264 /nfs/dbraw/zinc/20/22/64/506202264.db2.gz IPPKZFHEFURJLC-VXKWHMMOSA-N 1 3 365.521 3.420 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3c(Cl)cccc3OC)CC2)CC1 ZINC000420986128 500548726 /nfs/dbraw/zinc/54/87/26/500548726.db2.gz XWXIFLYUZRUKOM-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO COc1ccc2oc([C@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)c(C)c2c1 ZINC000442879522 500638623 /nfs/dbraw/zinc/63/86/23/500638623.db2.gz WNLFBWLHUIHDTJ-INIZCTEOSA-N 1 3 359.514 3.426 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442917965 500646360 /nfs/dbraw/zinc/64/63/60/500646360.db2.gz BSHBMVGMSFYQPU-KRWDZBQOSA-N 1 3 355.482 3.230 20 0 FGADHO COc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932602 500648730 /nfs/dbraw/zinc/64/87/30/500648730.db2.gz YDKCWMMLUGDZPX-QGZVFWFLSA-N 1 3 355.482 3.230 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746051 /nfs/dbraw/zinc/74/60/51/500746051.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746055 /nfs/dbraw/zinc/74/60/55/500746055.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCC2(CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438319470 500768813 /nfs/dbraw/zinc/76/88/13/500768813.db2.gz HNSQHDZJCGTRAE-IBGZPJMESA-N 1 3 362.562 3.053 20 0 FGADHO CN1CCC2(CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438319470 500768816 /nfs/dbraw/zinc/76/88/16/500768816.db2.gz HNSQHDZJCGTRAE-IBGZPJMESA-N 1 3 362.562 3.053 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742366 506216271 /nfs/dbraw/zinc/21/62/71/506216271.db2.gz GGANWMZBYBQDKH-WTNAPCKOSA-N 1 3 365.521 3.260 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCN(CCN(C)C)CC1 ZINC000438835114 500824650 /nfs/dbraw/zinc/82/46/50/500824650.db2.gz KCIZMYBCCNWNQK-OAQYLSRUSA-N 1 3 354.542 3.469 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1)C1CC1 ZINC000434420831 500840564 /nfs/dbraw/zinc/84/05/64/500840564.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 1 3 355.526 3.418 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1)C1CC1 ZINC000434420831 500840565 /nfs/dbraw/zinc/84/05/65/500840565.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 1 3 355.526 3.418 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445433 500844129 /nfs/dbraw/zinc/84/41/29/500844129.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445433 500844130 /nfs/dbraw/zinc/84/41/30/500844130.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO CC(C)CN1CCO[C@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058824 500913818 /nfs/dbraw/zinc/91/38/18/500913818.db2.gz MHFGMWSDTDRNMP-NZQKXSOJSA-N 1 3 373.585 3.028 20 0 FGADHO CC(C)CN1CCO[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058824 500913820 /nfs/dbraw/zinc/91/38/20/500913820.db2.gz MHFGMWSDTDRNMP-NZQKXSOJSA-N 1 3 373.585 3.028 20 0 FGADHO COCC1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000449087455 500921812 /nfs/dbraw/zinc/92/18/12/500921812.db2.gz GBHKRGCXZQIXQC-UHFFFAOYSA-N 1 3 373.585 3.379 20 0 FGADHO COc1cc2ccccc2cc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000449107920 500927513 /nfs/dbraw/zinc/92/75/13/500927513.db2.gz PBZMXDCCVVCKPI-UHFFFAOYSA-N 1 3 367.537 3.497 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449126230 500930955 /nfs/dbraw/zinc/93/09/55/500930955.db2.gz LQOQTKCLPSAZLI-UHFFFAOYSA-N 1 3 356.514 3.271 20 0 FGADHO CC(C)OCC[NH+]1CCC(NCc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449188973 500943764 /nfs/dbraw/zinc/94/37/64/500943764.db2.gz SWVSDTQRZYBNGD-UHFFFAOYSA-N 1 3 374.504 3.205 20 0 FGADHO CC1(C)CCCN(CCNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000445131139 500947469 /nfs/dbraw/zinc/94/74/69/500947469.db2.gz FTSHLRDMURNMHO-UHFFFAOYSA-N 1 3 352.567 3.064 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2ccccc2)CC1 ZINC000449266708 500961671 /nfs/dbraw/zinc/96/16/71/500961671.db2.gz WSLHJSLREHKHMD-CVDCTZTESA-N 1 3 352.522 3.275 20 0 FGADHO COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1OCc1cccnc1 ZINC000435376061 500962787 /nfs/dbraw/zinc/96/27/87/500962787.db2.gz PGOLDNYSVLKBFQ-INIZCTEOSA-N 1 3 355.482 3.228 20 0 FGADHO COc1ccc(-n2cc(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2)cc1 ZINC000449325040 500977436 /nfs/dbraw/zinc/97/74/36/500977436.db2.gz JGZLCVLPVVCZIP-LJQANCHMSA-N 1 3 354.498 3.045 20 0 FGADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450339780 501094373 /nfs/dbraw/zinc/09/43/73/501094373.db2.gz BTGWUKYRMPARBL-WOIUINJBSA-N 1 3 360.542 3.065 20 0 FGADHO CN(CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[N@@H+]1C ZINC000441334509 501121928 /nfs/dbraw/zinc/12/19/28/501121928.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 1 3 370.545 3.317 20 0 FGADHO CN(CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[N@H+]1C ZINC000441334509 501121931 /nfs/dbraw/zinc/12/19/31/501121931.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 1 3 370.545 3.317 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](CC2=CCCCC2)CC1)Cc1ccccc1 ZINC000450467953 501128901 /nfs/dbraw/zinc/12/89/01/501128901.db2.gz KIRKQSCSAFITJT-UHFFFAOYSA-N 1 3 369.553 3.447 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446611705 501141752 /nfs/dbraw/zinc/14/17/52/501141752.db2.gz ACGGRCVUJVGGHA-QUCCMNQESA-N 1 3 372.557 3.338 20 0 FGADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000450560367 501154487 /nfs/dbraw/zinc/15/44/87/501154487.db2.gz GFRSZYJCZJZUBF-KRWDZBQOSA-N 1 3 367.484 3.184 20 0 FGADHO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640439 501173182 /nfs/dbraw/zinc/17/31/82/501173182.db2.gz MDPJSPKMELDCSK-PGRDOPGGSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640439 501173186 /nfs/dbraw/zinc/17/31/86/501173186.db2.gz MDPJSPKMELDCSK-PGRDOPGGSA-N 1 3 353.510 3.394 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCN1C ZINC000607722324 506239765 /nfs/dbraw/zinc/23/97/65/506239765.db2.gz YMGCJFKVGVDION-FXAWDEMLSA-N 1 3 358.530 3.319 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000453091682 501266813 /nfs/dbraw/zinc/26/68/13/501266813.db2.gz MPIFFTWOEZUBPH-UHFFFAOYSA-N 1 3 365.521 3.015 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106646 501270650 /nfs/dbraw/zinc/27/06/50/501270650.db2.gz ZAQXGFCXXYBKMB-HKUYNNGSSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106646 501270652 /nfs/dbraw/zinc/27/06/52/501270652.db2.gz ZAQXGFCXXYBKMB-HKUYNNGSSA-N 1 3 363.933 3.358 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000611647564 506243320 /nfs/dbraw/zinc/24/33/20/506243320.db2.gz VIIQHZMTLJLTEX-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000457670770 501283691 /nfs/dbraw/zinc/28/36/91/501283691.db2.gz OFUSLOAFCJXZGI-HXUWFJFHSA-N 1 3 360.546 3.153 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453399820 501325151 /nfs/dbraw/zinc/32/51/51/501325151.db2.gz LQHFVRXPOBXJMW-YPAWHYETSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453399820 501325153 /nfs/dbraw/zinc/32/51/53/501325153.db2.gz LQHFVRXPOBXJMW-YPAWHYETSA-N 1 3 350.510 3.360 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933689 501337948 /nfs/dbraw/zinc/33/79/48/501337948.db2.gz QLRNTULQIKSEMQ-IEBWSBKVSA-N 1 3 360.546 3.242 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN(C4CCCC4)CC3)ccc21 ZINC000455890623 501407954 /nfs/dbraw/zinc/40/79/54/501407954.db2.gz ZGPQHJLBVLBBEH-FQEVSTJZSA-N 1 3 356.514 3.328 20 0 FGADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N1CCC(C)CC1 ZINC000455947593 501423501 /nfs/dbraw/zinc/42/35/01/501423501.db2.gz XMSPPZVUYDTLPM-OXJNMPFZSA-N 1 3 358.530 3.477 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000452161005 501449071 /nfs/dbraw/zinc/44/90/71/501449071.db2.gz FCPUDVQHVWUZBU-ZWKOTPCHSA-N 1 3 351.560 3.294 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC3(N4CCOCC4)CCCC3)ccc21 ZINC000456264077 501483787 /nfs/dbraw/zinc/48/37/87/501483787.db2.gz HEUVTFIGFQVZNY-HXUWFJFHSA-N 1 3 371.525 3.209 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000454241695 501489906 /nfs/dbraw/zinc/48/99/06/501489906.db2.gz RWDZPZDTDYOAFC-OAQYLSRUSA-N 1 3 372.557 3.389 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000458677760 501505788 /nfs/dbraw/zinc/50/57/88/501505788.db2.gz VZNURQACKAJGOM-QFIPXVFZSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000458759381 501524491 /nfs/dbraw/zinc/52/44/91/501524491.db2.gz GGPGKKLGOFKNSQ-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000454457445 501549938 /nfs/dbraw/zinc/54/99/38/501549938.db2.gz OTDOAGHFBVOZBL-FGTMMUONSA-N 1 3 364.578 3.059 20 0 FGADHO CCOc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1O ZINC000459397424 501646691 /nfs/dbraw/zinc/64/66/91/501646691.db2.gz DMJCXCJKGCDYJA-HXUWFJFHSA-N 1 3 354.494 3.445 20 0 FGADHO COc1cccc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000459405987 501647848 /nfs/dbraw/zinc/64/78/48/501647848.db2.gz GAGZDUNJWCIAPO-IBGZPJMESA-N 1 3 366.509 3.318 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459411017 501649275 /nfs/dbraw/zinc/64/92/75/501649275.db2.gz PWGRLQQTBSYEOZ-WIYYLYMNSA-N 1 3 350.510 3.476 20 0 FGADHO CN1CCC(O)(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459433702 501652916 /nfs/dbraw/zinc/65/29/16/501652916.db2.gz NVANXEYTBPHJNA-YVMONPNESA-N 1 3 366.505 3.325 20 0 FGADHO COC[C@@H](O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522949 501669091 /nfs/dbraw/zinc/66/90/91/501669091.db2.gz LDSJUJLCVVGPKO-VXKWHMMOSA-N 1 3 360.542 3.151 20 0 FGADHO COC[C@@H](O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522949 501669093 /nfs/dbraw/zinc/66/90/93/501669093.db2.gz LDSJUJLCVVGPKO-VXKWHMMOSA-N 1 3 360.542 3.151 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678639 501697972 /nfs/dbraw/zinc/69/79/72/501697972.db2.gz RWQOOYXNWMQSDB-NHCUHLMSSA-N 1 3 357.542 3.244 20 0 FGADHO CN(c1ccccc1CN1CC2(CCC2)[C@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693714 501699948 /nfs/dbraw/zinc/69/99/48/501699948.db2.gz ZUHNKSJIECJOFB-RBBKRZOGSA-N 1 3 369.553 3.218 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457500245 501711809 /nfs/dbraw/zinc/71/18/09/501711809.db2.gz XHJXBWHNIDUNOL-SJORKVTESA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457500245 501711812 /nfs/dbraw/zinc/71/18/12/501711812.db2.gz XHJXBWHNIDUNOL-SJORKVTESA-N 1 3 364.559 3.009 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470742179 501788615 /nfs/dbraw/zinc/78/86/15/501788615.db2.gz GSAPRTCTCGVCOE-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470742532 501789997 /nfs/dbraw/zinc/78/99/97/501789997.db2.gz CRTHWZCCRMFTNB-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CCN(Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000477894123 501822837 /nfs/dbraw/zinc/82/28/37/501822837.db2.gz XOYMATXBJXNSAA-UHFFFAOYSA-N 1 3 355.526 3.418 20 0 FGADHO CC[C@@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697353 501847381 /nfs/dbraw/zinc/84/73/81/501847381.db2.gz XVXWYYVQZBMPTN-YADHBBJMSA-N 1 3 355.526 3.033 20 0 FGADHO Cc1ccc(CCC[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000474479558 501849990 /nfs/dbraw/zinc/84/99/90/501849990.db2.gz YDIFZRQXMIVYHV-UHFFFAOYSA-N 1 3 353.510 3.069 20 0 FGADHO C[C@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458776454 501870121 /nfs/dbraw/zinc/87/01/21/501870121.db2.gz NLTSJHTXULOFDN-PKOBYXMFSA-N 1 3 360.546 3.069 20 0 FGADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000474601004 501889303 /nfs/dbraw/zinc/88/93/03/501889303.db2.gz QBIUQRYAJXFBAM-UHFFFAOYSA-N 1 3 362.514 3.229 20 0 FGADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942240 501924242 /nfs/dbraw/zinc/92/42/42/501924242.db2.gz BZTPHCUMXJNNKE-HOTGVXAUSA-N 1 3 352.544 3.394 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018779 501931524 /nfs/dbraw/zinc/93/15/24/501931524.db2.gz BKFFWCVILANQLB-AHRSYUTCSA-N 1 3 362.514 3.245 20 0 FGADHO CC(C)C[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021596 501932647 /nfs/dbraw/zinc/93/26/47/501932647.db2.gz KHKSAFBAEVWUFS-MISYRCLQSA-N 1 3 372.557 3.288 20 0 FGADHO CC(C)(CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000478409591 501971969 /nfs/dbraw/zinc/97/19/69/501971969.db2.gz ZNEZHAILYWARMQ-HXUWFJFHSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482113793 501978531 /nfs/dbraw/zinc/97/85/31/501978531.db2.gz ZFQUAXHPYMDIRM-JOCHJYFZSA-N 1 3 350.510 3.179 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000482116883 501979697 /nfs/dbraw/zinc/97/96/97/501979697.db2.gz YKWJAZMVHMKZLH-QGZVFWFLSA-N 1 3 372.488 3.092 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000482130524 501984711 /nfs/dbraw/zinc/98/47/11/501984711.db2.gz UNRHCCRCTLNCBS-IBGZPJMESA-N 1 3 368.525 3.343 20 0 FGADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037620 502030704 /nfs/dbraw/zinc/03/07/04/502030704.db2.gz FSROFTIZVCCJCZ-COPCDDAFSA-N 1 3 365.521 3.284 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000475112913 502064172 /nfs/dbraw/zinc/06/41/72/502064172.db2.gz UMSUEHHVDHZTML-ZWKOTPCHSA-N 1 3 364.578 3.346 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128160 502069214 /nfs/dbraw/zinc/06/92/14/502069214.db2.gz FWYCIUULSUMLGB-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746935 502074503 /nfs/dbraw/zinc/07/45/03/502074503.db2.gz NBIKFUDFUGVAIW-KRWDZBQOSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746935 502074509 /nfs/dbraw/zinc/07/45/09/502074509.db2.gz NBIKFUDFUGVAIW-KRWDZBQOSA-N 1 3 370.900 3.359 20 0 FGADHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)c1ccccc1 ZINC000475141233 502077807 /nfs/dbraw/zinc/07/78/07/502077807.db2.gz VOVOKWZLVXYNGH-WIYYLYMNSA-N 1 3 367.537 3.361 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492056 502079650 /nfs/dbraw/zinc/07/96/50/502079650.db2.gz LZCANPNMCQANLI-HXUWFJFHSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525294 502091934 /nfs/dbraw/zinc/09/19/34/502091934.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 1 3 357.542 3.058 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525294 502091939 /nfs/dbraw/zinc/09/19/39/502091939.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 1 3 357.542 3.058 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000468664661 502140584 /nfs/dbraw/zinc/14/05/84/502140584.db2.gz BQKPIRQMVMDBJX-FPOVZHCZSA-N 1 3 374.573 3.270 20 0 FGADHO CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831105 502148110 /nfs/dbraw/zinc/14/81/10/502148110.db2.gz KBOJVDKTBJKBKT-FCHUYYIVSA-N 1 3 365.521 3.218 20 0 FGADHO CC(C)c1ccc(CC[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000468819121 502195022 /nfs/dbraw/zinc/19/50/22/502195022.db2.gz DFIWLGSGZCPFBG-UHFFFAOYSA-N 1 3 367.537 3.434 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472051714 502212203 /nfs/dbraw/zinc/21/22/03/502212203.db2.gz IJKSCEKNBNLTMR-WOJBJXKFSA-N 1 3 360.546 3.195 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC2(C)C)CC1 ZINC000472279924 502296782 /nfs/dbraw/zinc/29/67/82/502296782.db2.gz QUJHIUNGTSCYOX-KRWDZBQOSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196446 502310928 /nfs/dbraw/zinc/31/09/28/502310928.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196446 502310933 /nfs/dbraw/zinc/31/09/33/502310933.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 1 3 357.542 3.278 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000462117325 502312909 /nfs/dbraw/zinc/31/29/09/502312909.db2.gz KXWXLWFVFXOPBT-HNNXBMFYSA-N 1 3 374.447 3.200 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000465575863 502313163 /nfs/dbraw/zinc/31/31/63/502313163.db2.gz QXRRYPNKXUZCFB-NQIIRXRSSA-N 1 3 372.557 3.200 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479702686 502349442 /nfs/dbraw/zinc/34/94/42/502349442.db2.gz FSAFVJRRJUCFMP-WOJBJXKFSA-N 1 3 366.594 3.262 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600120 502440232 /nfs/dbraw/zinc/44/02/32/502440232.db2.gz RIGDXDCBYZXZKF-YADHBBJMSA-N 1 3 369.553 3.231 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600120 502440237 /nfs/dbraw/zinc/44/02/37/502440237.db2.gz RIGDXDCBYZXZKF-YADHBBJMSA-N 1 3 369.553 3.231 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988481 502446819 /nfs/dbraw/zinc/44/68/19/502446819.db2.gz WCJFTPBNNZXXRQ-ZWKOTPCHSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988481 502446823 /nfs/dbraw/zinc/44/68/23/502446823.db2.gz WCJFTPBNNZXXRQ-ZWKOTPCHSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684105 502462949 /nfs/dbraw/zinc/46/29/49/502462949.db2.gz PISPWIOPWXSGPC-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684105 502462950 /nfs/dbraw/zinc/46/29/50/502462950.db2.gz PISPWIOPWXSGPC-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684104 502463417 /nfs/dbraw/zinc/46/34/17/502463417.db2.gz PISPWIOPWXSGPC-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684104 502463422 /nfs/dbraw/zinc/46/34/22/502463422.db2.gz PISPWIOPWXSGPC-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000483806061 502497643 /nfs/dbraw/zinc/49/76/43/502497643.db2.gz JQMPGYTZSRTRLI-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@H]1C ZINC000483806061 502497648 /nfs/dbraw/zinc/49/76/48/502497648.db2.gz JQMPGYTZSRTRLI-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760759 502534460 /nfs/dbraw/zinc/53/44/60/502534460.db2.gz NAQNTBUIADBLOL-OEWRPIJISA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540448 /nfs/dbraw/zinc/54/04/48/502540448.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540452 /nfs/dbraw/zinc/54/04/52/502540452.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN(C2CCC2)C1 ZINC000487847250 502546072 /nfs/dbraw/zinc/54/60/72/502546072.db2.gz ZWSXSXCVOUFMAQ-PXNSSMCTSA-N 1 3 364.578 3.013 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000480475559 502577881 /nfs/dbraw/zinc/57/78/81/502577881.db2.gz YARCKVLKINMCMX-JOCHJYFZSA-N 1 3 359.558 3.249 20 0 FGADHO C[C@H]1CCC[C@@](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019063 502602291 /nfs/dbraw/zinc/60/22/91/502602291.db2.gz WDKYZMQFZYPNIJ-BBTUJRGHSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@H+](C)C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626362 /nfs/dbraw/zinc/62/63/62/502626362.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@@H+](C)C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626365 /nfs/dbraw/zinc/62/63/65/502626365.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632146 502628333 /nfs/dbraw/zinc/62/83/33/502628333.db2.gz RINGXAQFOCGTPC-SJORKVTESA-N 1 3 367.559 3.221 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632146 502628339 /nfs/dbraw/zinc/62/83/39/502628339.db2.gz RINGXAQFOCGTPC-SJORKVTESA-N 1 3 367.559 3.221 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632138 502628435 /nfs/dbraw/zinc/62/84/35/502628435.db2.gz RINGXAQFOCGTPC-DLBZAZTESA-N 1 3 367.559 3.221 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632138 502628440 /nfs/dbraw/zinc/62/84/40/502628440.db2.gz RINGXAQFOCGTPC-DLBZAZTESA-N 1 3 367.559 3.221 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725584 502654129 /nfs/dbraw/zinc/65/41/29/502654129.db2.gz YPNZTPULAKUQPO-PZJWPPBQSA-N 1 3 357.542 3.369 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725584 502654133 /nfs/dbraw/zinc/65/41/33/502654133.db2.gz YPNZTPULAKUQPO-PZJWPPBQSA-N 1 3 357.542 3.369 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655459 /nfs/dbraw/zinc/65/54/59/502655459.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655466 /nfs/dbraw/zinc/65/54/66/502655466.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000477094974 502675773 /nfs/dbraw/zinc/67/57/73/502675773.db2.gz FWOZVFVGKCVCDE-HXUWFJFHSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000477094974 502675777 /nfs/dbraw/zinc/67/57/77/502675777.db2.gz FWOZVFVGKCVCDE-HXUWFJFHSA-N 1 3 357.542 3.087 20 0 FGADHO CC/C=C/CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000466802986 502686059 /nfs/dbraw/zinc/68/60/59/502686059.db2.gz RNPFQHFYWLKNMT-SNAWJCMRSA-N 1 3 357.542 3.303 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850942 502688912 /nfs/dbraw/zinc/68/89/12/502688912.db2.gz VXHLPNNXDIJYAL-WIYYLYMNSA-N 1 3 351.494 3.059 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850942 502688916 /nfs/dbraw/zinc/68/89/16/502688916.db2.gz VXHLPNNXDIJYAL-WIYYLYMNSA-N 1 3 351.494 3.059 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668297 502703108 /nfs/dbraw/zinc/70/31/08/502703108.db2.gz GHRADWNPXYQEDR-RXVVDRJESA-N 1 3 368.525 3.109 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000484719712 502719627 /nfs/dbraw/zinc/71/96/27/502719627.db2.gz OVRKZYOSAZUZNH-ZFMNYDKASA-N 1 3 370.541 3.090 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000463277288 502743047 /nfs/dbraw/zinc/74/30/47/502743047.db2.gz CJRVUVISDVYDNT-OALUTQOASA-N 1 3 352.563 3.405 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000481177077 502774299 /nfs/dbraw/zinc/77/42/99/502774299.db2.gz YRSFQYBWPLBOBS-RXVVDRJESA-N 1 3 363.505 3.076 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(CC)CC ZINC000484938898 502781773 /nfs/dbraw/zinc/78/17/73/502781773.db2.gz MIZGURGIWKVIAX-QHAWAJNXSA-N 1 3 357.542 3.087 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(CC)CC ZINC000484938898 502781778 /nfs/dbraw/zinc/78/17/78/502781778.db2.gz MIZGURGIWKVIAX-QHAWAJNXSA-N 1 3 357.542 3.087 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000470531405 502806334 /nfs/dbraw/zinc/80/63/34/502806334.db2.gz VBWYSJYRKHVMNF-IRFCIJBXSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000470531405 502806338 /nfs/dbraw/zinc/80/63/38/502806338.db2.gz VBWYSJYRKHVMNF-IRFCIJBXSA-N 1 3 357.542 3.230 20 0 FGADHO COc1cc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1F ZINC000504899865 502821086 /nfs/dbraw/zinc/82/10/86/502821086.db2.gz NPQGLTDSLRCSRR-KRWDZBQOSA-N 1 3 372.488 3.092 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331712 502906821 /nfs/dbraw/zinc/90/68/21/502906821.db2.gz VEGGHOXNVQLKGA-PXNSSMCTSA-N 1 3 361.530 3.374 20 0 FGADHO CN(CC(=O)N(C1CC1)C1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040870 502920154 /nfs/dbraw/zinc/92/01/54/502920154.db2.gz TTXPIXBIIWNHEW-UHFFFAOYSA-N 1 3 370.541 3.163 20 0 FGADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081597 502931407 /nfs/dbraw/zinc/93/14/07/502931407.db2.gz XVGDXRVCHUYYBO-GUDVDZBRSA-N 1 3 372.557 3.408 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000509583397 502941180 /nfs/dbraw/zinc/94/11/80/502941180.db2.gz JXJJPLSSYNILBQ-AEFFLSMTSA-N 1 3 364.534 3.225 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760657 502980181 /nfs/dbraw/zinc/98/01/81/502980181.db2.gz VXDFNHGZYKEODT-NRFANRHFSA-N 1 3 359.558 3.111 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760657 502980185 /nfs/dbraw/zinc/98/01/85/502980185.db2.gz VXDFNHGZYKEODT-NRFANRHFSA-N 1 3 359.558 3.111 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000513723844 503009944 /nfs/dbraw/zinc/00/99/44/503009944.db2.gz BCOPUTOSDXDRHL-JOCHJYFZSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCCC[C@@H]1C ZINC000501532205 503030784 /nfs/dbraw/zinc/03/07/84/503030784.db2.gz NARIMQZTUNZJPA-ZWKOTPCHSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCCC[C@@H]1C ZINC000501532205 503030787 /nfs/dbraw/zinc/03/07/87/503030787.db2.gz NARIMQZTUNZJPA-ZWKOTPCHSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000501718877 503066483 /nfs/dbraw/zinc/06/64/83/503066483.db2.gz PMUABDHJYVLCGQ-BGYRXZFFSA-N 1 3 374.573 3.128 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000501718877 503066486 /nfs/dbraw/zinc/06/64/86/503066486.db2.gz PMUABDHJYVLCGQ-BGYRXZFFSA-N 1 3 374.573 3.128 20 0 FGADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000514008149 503067286 /nfs/dbraw/zinc/06/72/86/503067286.db2.gz BOLPGUMZUREBOL-NRFANRHFSA-N 1 3 357.542 3.375 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821473 503088042 /nfs/dbraw/zinc/08/80/42/503088042.db2.gz FRVIBQGVISHUNP-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000514127774 503094175 /nfs/dbraw/zinc/09/41/75/503094175.db2.gz YYUMTGOLWPVVFH-PMACEKPBSA-N 1 3 374.573 3.176 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000506424638 503112702 /nfs/dbraw/zinc/11/27/02/503112702.db2.gz XAFJRPRAUFBWTJ-OAQYLSRUSA-N 1 3 358.574 3.135 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000514215016 503114767 /nfs/dbraw/zinc/11/47/67/503114767.db2.gz QIALOZVRUDWJCJ-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000514215016 503114770 /nfs/dbraw/zinc/11/47/70/503114770.db2.gz QIALOZVRUDWJCJ-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000514229969 503119772 /nfs/dbraw/zinc/11/97/72/503119772.db2.gz VKIDVHYLXBTBRM-HBFSDRIKSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000514229969 503119774 /nfs/dbraw/zinc/11/97/74/503119774.db2.gz VKIDVHYLXBTBRM-HBFSDRIKSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000498383608 503175458 /nfs/dbraw/zinc/17/54/58/503175458.db2.gz BXAMLHHDGZTXDA-INIZCTEOSA-N 1 3 355.910 3.386 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929524 503196453 /nfs/dbraw/zinc/19/64/53/503196453.db2.gz GCZAMODEXHFBLJ-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929524 503196458 /nfs/dbraw/zinc/19/64/58/503196458.db2.gz GCZAMODEXHFBLJ-PMACEKPBSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000507035293 503217919 /nfs/dbraw/zinc/21/79/19/503217919.db2.gz DBUVSHUMHOBRIF-HXUWFJFHSA-N 1 3 361.505 3.246 20 0 FGADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000498721337 503247859 /nfs/dbraw/zinc/24/78/59/503247859.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000498721337 503247862 /nfs/dbraw/zinc/24/78/62/503247862.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507462423 503302423 /nfs/dbraw/zinc/30/24/23/503302423.db2.gz OYJDEHWXBGCMGD-BZZMCLGOSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507462423 503302426 /nfs/dbraw/zinc/30/24/26/503302426.db2.gz OYJDEHWXBGCMGD-BZZMCLGOSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507462423 503302428 /nfs/dbraw/zinc/30/24/28/503302428.db2.gz OYJDEHWXBGCMGD-BZZMCLGOSA-N 1 3 356.432 3.454 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000515261771 503304375 /nfs/dbraw/zinc/30/43/75/503304375.db2.gz JNNQQGQPXQEPKZ-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000515261771 503304377 /nfs/dbraw/zinc/30/43/77/503304377.db2.gz JNNQQGQPXQEPKZ-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000502912251 503306737 /nfs/dbraw/zinc/30/67/37/503306737.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000502912251 503306742 /nfs/dbraw/zinc/30/67/42/503306742.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)CN(C)C ZINC000491597110 503323012 /nfs/dbraw/zinc/32/30/12/503323012.db2.gz RGLKLRPCVJNUPL-JTQLQIEISA-N 1 3 351.235 3.338 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C ZINC000503091114 503345049 /nfs/dbraw/zinc/34/50/49/503345049.db2.gz FGESTYAHWQBIHW-UYAOXDASSA-N 1 3 374.573 3.407 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1CCN2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000499196638 503353188 /nfs/dbraw/zinc/35/31/88/503353188.db2.gz WETRQPVCWHONTE-ICSRJNTNSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511855840 503401215 /nfs/dbraw/zinc/40/12/15/503401215.db2.gz RCYNHHYOIGWRFM-BDTNDASRSA-N 1 3 369.553 3.244 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428404 503407533 /nfs/dbraw/zinc/40/75/33/503407533.db2.gz OEJAVQQURNYTOB-CPFNUKBASA-N 1 3 362.518 3.025 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000503485130 503418899 /nfs/dbraw/zinc/41/88/99/503418899.db2.gz GCMMYFFZEIIIKJ-WSTZPKSXSA-N 1 3 373.541 3.078 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000503485130 503418905 /nfs/dbraw/zinc/41/89/05/503418905.db2.gz GCMMYFFZEIIIKJ-WSTZPKSXSA-N 1 3 373.541 3.078 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000493939660 503462674 /nfs/dbraw/zinc/46/26/74/503462674.db2.gz FSVUYJAQDRWQBR-YSIASYRMSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000516181242 503464088 /nfs/dbraw/zinc/46/40/88/503464088.db2.gz AVKCBLNCEUOHLO-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000516181242 503464092 /nfs/dbraw/zinc/46/40/92/503464092.db2.gz AVKCBLNCEUOHLO-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000516181243 503464353 /nfs/dbraw/zinc/46/43/53/503464353.db2.gz AVKCBLNCEUOHLO-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000516181243 503464358 /nfs/dbraw/zinc/46/43/58/503464358.db2.gz AVKCBLNCEUOHLO-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215044 503472080 /nfs/dbraw/zinc/47/20/80/503472080.db2.gz CNAKDDIDJWPGRI-INIZCTEOSA-N 1 3 373.463 3.275 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215044 503472084 /nfs/dbraw/zinc/47/20/84/503472084.db2.gz CNAKDDIDJWPGRI-INIZCTEOSA-N 1 3 373.463 3.275 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccccc21 ZINC000508454026 503497157 /nfs/dbraw/zinc/49/71/57/503497157.db2.gz HIIBFSKABODIOX-IBGZPJMESA-N 1 3 353.510 3.328 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccccc21 ZINC000508454026 503497158 /nfs/dbraw/zinc/49/71/58/503497158.db2.gz HIIBFSKABODIOX-IBGZPJMESA-N 1 3 353.510 3.328 20 0 FGADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177282 503534838 /nfs/dbraw/zinc/53/48/38/503534838.db2.gz PSXJUWANVXAJRJ-AQNXPRMDSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N(C)CCN2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430985 503548947 /nfs/dbraw/zinc/54/89/47/503548947.db2.gz WIJKFYZVFNEYTI-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N(C)CCN2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430985 503548951 /nfs/dbraw/zinc/54/89/51/503548951.db2.gz WIJKFYZVFNEYTI-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645597 503559208 /nfs/dbraw/zinc/55/92/08/503559208.db2.gz IIVMHFFSKRQYAM-TZIWHRDSSA-N 1 3 358.913 3.355 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645597 503559210 /nfs/dbraw/zinc/55/92/10/503559210.db2.gz IIVMHFFSKRQYAM-TZIWHRDSSA-N 1 3 358.913 3.355 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)COc1ccccc1F ZINC000516761436 503581662 /nfs/dbraw/zinc/58/16/62/503581662.db2.gz FBOKENAXIVCSDS-HXUWFJFHSA-N 1 3 372.484 3.341 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC000508899264 503594030 /nfs/dbraw/zinc/59/40/30/503594030.db2.gz TZROFRJODQVEQH-YLJYHZDGSA-N 1 3 360.546 3.158 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000508903131 503595356 /nfs/dbraw/zinc/59/53/56/503595356.db2.gz FHMKEGSXVSPATK-YSIASYRMSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000508903131 503595361 /nfs/dbraw/zinc/59/53/61/503595361.db2.gz FHMKEGSXVSPATK-YSIASYRMSA-N 1 3 360.546 3.194 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000536667626 503668364 /nfs/dbraw/zinc/66/83/64/503668364.db2.gz LSGPZLANOKZSBD-UHFFFAOYSA-N 1 3 364.530 3.335 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731996 503701328 /nfs/dbraw/zinc/70/13/28/503701328.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731996 503701334 /nfs/dbraw/zinc/70/13/34/503701334.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C)C3)CC2)c1 ZINC000536731996 503701338 /nfs/dbraw/zinc/70/13/38/503701338.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@H](CCCN4C)C3)CC2)c1 ZINC000536731996 503701343 /nfs/dbraw/zinc/70/13/43/503701343.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731995 503701726 /nfs/dbraw/zinc/70/17/26/503701726.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731995 503701731 /nfs/dbraw/zinc/70/17/31/503701731.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)CC2)c1 ZINC000536731995 503701734 /nfs/dbraw/zinc/70/17/34/503701734.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)CC2)c1 ZINC000536731995 503701738 /nfs/dbraw/zinc/70/17/38/503701738.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 1 3 358.526 3.408 20 0 FGADHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090561 503727931 /nfs/dbraw/zinc/72/79/31/503727931.db2.gz HOTFEUHVHHOGRF-ROUUACIJSA-N 1 3 371.525 3.305 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)CC(C)C ZINC000517419804 503741316 /nfs/dbraw/zinc/74/13/16/503741316.db2.gz DOJBMESYEPZTQO-RTBURBONSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000543458987 503780509 /nfs/dbraw/zinc/78/05/09/503780509.db2.gz MOXOAXSVILINGN-SJORKVTESA-N 1 3 356.514 3.375 20 0 FGADHO C[C@@H](NCCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458987 503780513 /nfs/dbraw/zinc/78/05/13/503780513.db2.gz MOXOAXSVILINGN-SJORKVTESA-N 1 3 356.514 3.375 20 0 FGADHO C[C@@H](NCCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458987 503780517 /nfs/dbraw/zinc/78/05/17/503780517.db2.gz MOXOAXSVILINGN-SJORKVTESA-N 1 3 356.514 3.375 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000543644260 503838834 /nfs/dbraw/zinc/83/88/34/503838834.db2.gz HOYIWHHTUFPMBW-GUDVDZBRSA-N 1 3 366.594 3.116 20 0 FGADHO CC(C)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345383 503884371 /nfs/dbraw/zinc/88/43/71/503884371.db2.gz ZGOQDZUJNKUXDR-FXAWDEMLSA-N 1 3 357.498 3.307 20 0 FGADHO Fc1ccc(-c2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530240317 503889170 /nfs/dbraw/zinc/88/91/70/503889170.db2.gz KOLNMMYYCZEJMT-GOSISDBHSA-N 1 3 359.445 3.071 20 0 FGADHO CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000540788197 503893031 /nfs/dbraw/zinc/89/30/31/503893031.db2.gz AORWZMIONAXEME-SFTDATJTSA-N 1 3 371.500 3.156 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([C@H](O)C(C)C)CC2)CC1 ZINC000537383245 503896866 /nfs/dbraw/zinc/89/68/66/503896866.db2.gz KZGHIQUWXIGTMR-OAQYLSRUSA-N 1 3 359.558 3.105 20 0 FGADHO C[NH+](C)CC1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000546842353 503897916 /nfs/dbraw/zinc/89/79/16/503897916.db2.gz SHRPKNFRWFCHGH-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000543946643 503947639 /nfs/dbraw/zinc/94/76/39/503947639.db2.gz NDRRQDXMLIOWGN-LJQANCHMSA-N 1 3 366.594 3.404 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362220 503963309 /nfs/dbraw/zinc/96/33/09/503963309.db2.gz KNSHSRYKPAAMRW-PKOBYXMFSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362220 503963314 /nfs/dbraw/zinc/96/33/14/503963314.db2.gz KNSHSRYKPAAMRW-PKOBYXMFSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362220 503963321 /nfs/dbraw/zinc/96/33/21/503963321.db2.gz KNSHSRYKPAAMRW-PKOBYXMFSA-N 1 3 368.949 3.175 20 0 FGADHO C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)N(C)Cc1ccccc1 ZINC000518438960 503985355 /nfs/dbraw/zinc/98/53/55/503985355.db2.gz SCBXNVRNLBNFKU-GUDVDZBRSA-N 1 3 360.546 3.069 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612073 504027713 /nfs/dbraw/zinc/02/77/13/504027713.db2.gz XDKZIKXXMYDSSW-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669716 504039401 /nfs/dbraw/zinc/03/94/01/504039401.db2.gz KTSLNUNBUPBWIF-OAQYLSRUSA-N 1 3 372.557 3.204 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289594 504075164 /nfs/dbraw/zinc/07/51/64/504075164.db2.gz SIUFGXAARWIIKF-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297794 504077990 /nfs/dbraw/zinc/07/79/90/504077990.db2.gz CQMQLAFQDRWQBH-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO CSc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000518848665 504079578 /nfs/dbraw/zinc/07/95/78/504079578.db2.gz SQFOJSZVOKIQEY-UHFFFAOYSA-N 1 3 353.601 3.320 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000537971274 504099562 /nfs/dbraw/zinc/09/95/62/504099562.db2.gz GNZDJRUNOKZWHV-ZZLPTCMGSA-N 1 3 373.585 3.376 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537973480 504099950 /nfs/dbraw/zinc/09/99/50/504099950.db2.gz LQKCNOVCWKEPOE-FQEVSTJZSA-N 1 3 371.912 3.409 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974172 504107168 /nfs/dbraw/zinc/10/71/68/504107168.db2.gz UQHWZDNPNMLOCL-RTBURBONSA-N 1 3 352.567 3.205 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000530913664 504128459 /nfs/dbraw/zinc/12/84/59/504128459.db2.gz BWIYHMNEQUIUDW-KRWDZBQOSA-N 1 3 373.545 3.133 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000530913664 504128460 /nfs/dbraw/zinc/12/84/60/504128460.db2.gz BWIYHMNEQUIUDW-KRWDZBQOSA-N 1 3 373.545 3.133 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000544489178 504151821 /nfs/dbraw/zinc/15/18/21/504151821.db2.gz JFVXFEDRRPJTML-UHFFFAOYSA-N 1 3 365.949 3.068 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519361821 504201756 /nfs/dbraw/zinc/20/17/56/504201756.db2.gz FJNSQSRFRKEFDC-MJGOQNOKSA-N 1 3 361.505 3.028 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519483984 504230323 /nfs/dbraw/zinc/23/03/23/504230323.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519483984 504230327 /nfs/dbraw/zinc/23/03/27/504230327.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000538394173 504233448 /nfs/dbraw/zinc/23/34/48/504233448.db2.gz QALOGUUPVLDUSP-UXHICEINSA-N 1 3 365.606 3.366 20 0 FGADHO COc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1Cl ZINC000538548083 504281276 /nfs/dbraw/zinc/28/12/76/504281276.db2.gz XBRNIHFZULMBOU-YOEHRIQHSA-N 1 3 369.937 3.092 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000519641980 504286508 /nfs/dbraw/zinc/28/65/08/504286508.db2.gz HTWZTQVHIUTOMF-ZWCUEREDSA-N 1 3 355.526 3.108 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1C(C)(C)C ZINC000535086428 504339019 /nfs/dbraw/zinc/33/90/19/504339019.db2.gz AZYOTBVGZJTRQA-LJQANCHMSA-N 1 3 361.574 3.025 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342552 /nfs/dbraw/zinc/34/25/52/504342552.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 1 3 358.486 3.262 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342556 /nfs/dbraw/zinc/34/25/56/504342556.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 1 3 358.486 3.262 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCCN(C)C3)c2)CC1 ZINC000538773325 504364246 /nfs/dbraw/zinc/36/42/46/504364246.db2.gz JBKNCNNAQSDCIC-FQEVSTJZSA-N 1 3 372.557 3.424 20 0 FGADHO C[C@@H](CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000520360840 504477313 /nfs/dbraw/zinc/47/73/13/504477313.db2.gz NETNWDKDEOYQOH-IBGZPJMESA-N 1 3 357.542 3.137 20 0 FGADHO c1csc(CN2CCC(C[NH2+]C3CCN(c4cnccn4)CC3)CC2)c1 ZINC000531950241 504484491 /nfs/dbraw/zinc/48/44/91/504484491.db2.gz LFLWNPJINPDHTH-UHFFFAOYSA-N 1 3 371.554 3.009 20 0 FGADHO Cc1cccc(C)c1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000545469587 504497744 /nfs/dbraw/zinc/49/77/44/504497744.db2.gz VODYATPHBBJQDT-GOSISDBHSA-N 1 3 372.557 3.222 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529079492 504523361 /nfs/dbraw/zinc/52/33/61/504523361.db2.gz TZCWXHWVLNMBRO-IBGZPJMESA-N 1 3 358.530 3.319 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529079492 504523368 /nfs/dbraw/zinc/52/33/68/504523368.db2.gz TZCWXHWVLNMBRO-IBGZPJMESA-N 1 3 358.530 3.319 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCN3C3CCCC3)ccc21 ZINC000529116502 504541013 /nfs/dbraw/zinc/54/10/13/504541013.db2.gz YJIOQESWUMZJTF-ICSRJNTNSA-N 1 3 356.514 3.374 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806504 504550824 /nfs/dbraw/zinc/55/08/24/504550824.db2.gz ZFNVYJWRSMYMHQ-RBBKRZOGSA-N 1 3 371.569 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806504 504550827 /nfs/dbraw/zinc/55/08/27/504550827.db2.gz ZFNVYJWRSMYMHQ-RBBKRZOGSA-N 1 3 371.569 3.467 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976730 504642171 /nfs/dbraw/zinc/64/21/71/504642171.db2.gz FCOXQBSISLUDNK-KDURUIRLSA-N 1 3 370.541 3.375 20 0 FGADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246860 504692573 /nfs/dbraw/zinc/69/25/73/504692573.db2.gz YBRWTLGOQIRNMG-OTWHNJEPSA-N 1 3 357.542 3.379 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246860 504692578 /nfs/dbraw/zinc/69/25/78/504692578.db2.gz YBRWTLGOQIRNMG-OTWHNJEPSA-N 1 3 357.542 3.379 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000539822807 504704672 /nfs/dbraw/zinc/70/46/72/504704672.db2.gz MWQYSVMZBDQOFT-XXBNENTESA-N 1 3 364.537 3.206 20 0 FGADHO CN(C)CCOCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000549222556 504728596 /nfs/dbraw/zinc/72/85/96/504728596.db2.gz OGMGDOKLRUXOKY-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532838160 504765246 /nfs/dbraw/zinc/76/52/46/504765246.db2.gz DCPYAQFBAGCDLW-RBUKOAKNSA-N 1 3 360.546 3.069 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4cc(C)ccc43)CC2)CC1 ZINC000565179182 504818424 /nfs/dbraw/zinc/81/84/24/504818424.db2.gz GZGGYVKERVAWID-QFIPXVFZSA-N 1 3 369.553 3.295 20 0 FGADHO CCN(CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839971 /nfs/dbraw/zinc/83/99/71/504839971.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839977 /nfs/dbraw/zinc/83/99/77/504839977.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172692 504844360 /nfs/dbraw/zinc/84/43/60/504844360.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172692 504844365 /nfs/dbraw/zinc/84/43/65/504844365.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 1 3 369.553 3.372 20 0 FGADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565302943 504848899 /nfs/dbraw/zinc/84/88/99/504848899.db2.gz ICRPPJGHRZBFLN-CVEARBPZSA-N 1 3 371.506 3.360 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000553365205 504894892 /nfs/dbraw/zinc/89/48/92/504894892.db2.gz UBCIDJMYCMIJIO-OAQYLSRUSA-N 1 3 373.516 3.126 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497584 504932095 /nfs/dbraw/zinc/93/20/95/504932095.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497584 504932097 /nfs/dbraw/zinc/93/20/97/504932097.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705081 504964343 /nfs/dbraw/zinc/96/43/43/504964343.db2.gz FULKMLNGRYOQQU-QZTJIDSGSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705081 504964346 /nfs/dbraw/zinc/96/43/46/504964346.db2.gz FULKMLNGRYOQQU-QZTJIDSGSA-N 1 3 370.541 3.451 20 0 FGADHO C[NH+](C)CCOCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000560002818 504967505 /nfs/dbraw/zinc/96/75/05/504967505.db2.gz RVQVEAZWLBCNLC-INIZCTEOSA-N 1 3 363.502 3.494 20 0 FGADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556884434 505005715 /nfs/dbraw/zinc/00/57/15/505005715.db2.gz KFYCWHBPVPDWLN-AHJNKEMKSA-N 1 3 369.553 3.182 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(C)(F)F)cc3)CC2)CC1 ZINC000550285855 505012690 /nfs/dbraw/zinc/01/26/90/505012690.db2.gz VQWHMRSJWVFBRT-UHFFFAOYSA-N 1 3 365.468 3.087 20 0 FGADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000565945160 505035473 /nfs/dbraw/zinc/03/54/73/505035473.db2.gz XTNLLXQEJQNTND-ZACQAIPSSA-N 1 3 360.889 3.443 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000563262164 505090734 /nfs/dbraw/zinc/09/07/34/505090734.db2.gz LAQAOYMODFBGFN-SFHVURJKSA-N 1 3 373.928 3.477 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@]1(C)CCCO1 ZINC000550886269 505119762 /nfs/dbraw/zinc/11/97/62/505119762.db2.gz GOXICPJAUZGACQ-IFMALSPDSA-N 1 3 359.558 3.132 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C)cc3)CC2)CC1 ZINC000557430844 505132994 /nfs/dbraw/zinc/13/29/94/505132994.db2.gz HNVDBEOJSHVWPT-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000563507189 505161179 /nfs/dbraw/zinc/16/11/79/505161179.db2.gz LJJZYONDPPWOEC-IBGZPJMESA-N 1 3 372.513 3.087 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000563507189 505161183 /nfs/dbraw/zinc/16/11/83/505161183.db2.gz LJJZYONDPPWOEC-IBGZPJMESA-N 1 3 372.513 3.087 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000566498732 505190448 /nfs/dbraw/zinc/19/04/48/505190448.db2.gz HBBXGOCCZPMIMB-UHFFFAOYSA-N 1 3 369.328 3.210 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211554 505282407 /nfs/dbraw/zinc/28/24/07/505282407.db2.gz GLSQOBDDSGNDSF-UXHICEINSA-N 1 3 372.557 3.229 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952121 505286845 /nfs/dbraw/zinc/28/68/45/505286845.db2.gz BRRUSHLHSPJRIH-WTNAPCKOSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952121 505286849 /nfs/dbraw/zinc/28/68/49/505286849.db2.gz BRRUSHLHSPJRIH-WTNAPCKOSA-N 1 3 356.485 3.372 20 0 FGADHO CC[C@@H](NCc1cncc(C[NH2+][C@@H](CC)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168760 505343420 /nfs/dbraw/zinc/34/34/20/505343420.db2.gz QVXHLEVGJADCFH-PLACYPQZSA-N 1 3 361.530 3.176 20 0 FGADHO CC[C@@H]([NH2+]Cc1cncc(CN[C@@H](CC)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000564168760 505343425 /nfs/dbraw/zinc/34/34/25/505343425.db2.gz QVXHLEVGJADCFH-PLACYPQZSA-N 1 3 361.530 3.176 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552043957 505379865 /nfs/dbraw/zinc/37/98/65/505379865.db2.gz IERNONIFXQDNEQ-FHWLQOOXSA-N 1 3 351.604 3.201 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233730 505386285 /nfs/dbraw/zinc/38/62/85/505386285.db2.gz FJWLWMPBTRPNLH-DUXKGJEZSA-N 1 3 374.525 3.259 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233730 505386286 /nfs/dbraw/zinc/38/62/86/505386286.db2.gz FJWLWMPBTRPNLH-DUXKGJEZSA-N 1 3 374.525 3.259 20 0 FGADHO Cc1nc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)[nH]c1C ZINC000567180434 505386579 /nfs/dbraw/zinc/38/65/79/505386579.db2.gz JFPGROKNZBYJAR-IRXDYDNUSA-N 1 3 370.541 3.325 20 0 FGADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552251221 505441896 /nfs/dbraw/zinc/44/18/96/505441896.db2.gz OHOAJYMMSWYNDZ-NJDAHSKKSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000555548752 505453709 /nfs/dbraw/zinc/45/37/09/505453709.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 1 3 371.569 3.418 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000555548752 505453714 /nfs/dbraw/zinc/45/37/14/505453714.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 1 3 371.569 3.418 20 0 FGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])s2)cs1 ZINC000564791832 505520773 /nfs/dbraw/zinc/52/07/73/505520773.db2.gz OCMAZKADUWPLKC-NILFDRSVSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)s2)cs1 ZINC000564791832 505520777 /nfs/dbraw/zinc/52/07/77/505520777.db2.gz OCMAZKADUWPLKC-NILFDRSVSA-N 1 3 351.541 3.064 20 0 FGADHO c1cn(-c2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)cn1 ZINC000567641533 505521690 /nfs/dbraw/zinc/52/16/90/505521690.db2.gz LWKVERPILOSKPS-IRLDBZIGSA-N 1 3 360.461 3.218 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000558912991 505528905 /nfs/dbraw/zinc/52/89/05/505528905.db2.gz JTCHONRZHQHCGO-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@H](CNC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678562 505533413 /nfs/dbraw/zinc/53/34/13/505533413.db2.gz WBURQCBQIPTJHH-MDZRGWNJSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)CN1CCCC1 ZINC000567678562 505533419 /nfs/dbraw/zinc/53/34/19/505533419.db2.gz WBURQCBQIPTJHH-MDZRGWNJSA-N 1 3 354.922 3.100 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846022 505536714 /nfs/dbraw/zinc/53/67/14/505536714.db2.gz YHIFYDDTLDSAJG-FQEVSTJZSA-N 1 3 362.901 3.069 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000564846022 505536716 /nfs/dbraw/zinc/53/67/16/505536716.db2.gz YHIFYDDTLDSAJG-FQEVSTJZSA-N 1 3 362.901 3.069 20 0 FGADHO C/C=C/c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567690108 505537834 /nfs/dbraw/zinc/53/78/34/505537834.db2.gz YLMMCCHXXXNWQY-JSWMXWNZSA-N 1 3 374.525 3.073 20 0 FGADHO C/C=C/c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690108 505537838 /nfs/dbraw/zinc/53/78/38/505537838.db2.gz YLMMCCHXXXNWQY-JSWMXWNZSA-N 1 3 374.525 3.073 20 0 FGADHO CN1CCC(N2CCC([NH2+]CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000562200215 505538128 /nfs/dbraw/zinc/53/81/28/505538128.db2.gz AQZKTJPDSYVCRY-UHFFFAOYSA-N 1 3 353.913 3.170 20 0 FGADHO CCc1[nH+]c2ccccc2c(NC[C@H](C)CN2CCN(CC)CC2)c1C ZINC000562240929 505549777 /nfs/dbraw/zinc/54/97/77/505549777.db2.gz NQMCHFGTZFTBQU-KRWDZBQOSA-N 1 3 354.542 3.213 20 0 FGADHO COc1ccccc1-c1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000608053667 506396395 /nfs/dbraw/zinc/39/63/95/506396395.db2.gz DVPKGQIQVATWID-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc2ccccc2c1 ZINC000582894734 506477373 /nfs/dbraw/zinc/47/73/73/506477373.db2.gz LZEUQJRQEYDIIA-SFTDATJTSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608674013 506659222 /nfs/dbraw/zinc/65/92/22/506659222.db2.gz NEMVRGDDQZGNER-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282329 506694907 /nfs/dbraw/zinc/69/49/07/506694907.db2.gz WRYMIYYUQYOJRH-RLLQIKCJSA-N 1 3 368.500 3.442 20 0 FGADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282329 506694914 /nfs/dbraw/zinc/69/49/14/506694914.db2.gz WRYMIYYUQYOJRH-RLLQIKCJSA-N 1 3 368.500 3.442 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCCC1 ZINC000604158159 506728728 /nfs/dbraw/zinc/72/87/28/506728728.db2.gz VUXIAQGNNOZSTQ-HXUWFJFHSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177205 506737721 /nfs/dbraw/zinc/73/77/21/506737721.db2.gz ZSGLEWRRLJZJGM-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1F ZINC000597155102 506802502 /nfs/dbraw/zinc/80/25/02/506802502.db2.gz FICLWPKPMMQQPH-MJGOQNOKSA-N 1 3 356.441 3.047 20 0 FGADHO COC(=O)Cc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000600185954 506828532 /nfs/dbraw/zinc/82/85/32/506828532.db2.gz VTIXYMCERSJNJE-GCJKJVERSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185954 506828538 /nfs/dbraw/zinc/82/85/38/506828538.db2.gz VTIXYMCERSJNJE-GCJKJVERSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000600185954 506828547 /nfs/dbraw/zinc/82/85/47/506828547.db2.gz VTIXYMCERSJNJE-GCJKJVERSA-N 1 3 366.505 3.402 20 0 FGADHO Cc1ccc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559031 506849190 /nfs/dbraw/zinc/84/91/90/506849190.db2.gz NHGKSPMAYFMSTO-LRQRDZAKSA-N 1 3 372.534 3.205 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000583597299 506868034 /nfs/dbraw/zinc/86/80/34/506868034.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000583597299 506868039 /nfs/dbraw/zinc/86/80/39/506868039.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000590637595 506891862 /nfs/dbraw/zinc/89/18/62/506891862.db2.gz WPYQJCVESCGWLN-XLIONFOSSA-N 1 3 364.578 3.203 20 0 FGADHO COc1cccc(OC)c1OCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000584017475 507103580 /nfs/dbraw/zinc/10/35/80/507103580.db2.gz ULZFDEPINGJVQT-GOSISDBHSA-N 1 3 362.514 3.281 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000584017475 507103591 /nfs/dbraw/zinc/10/35/91/507103591.db2.gz ULZFDEPINGJVQT-GOSISDBHSA-N 1 3 362.514 3.281 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000584017475 507103595 /nfs/dbraw/zinc/10/35/95/507103595.db2.gz ULZFDEPINGJVQT-GOSISDBHSA-N 1 3 362.514 3.281 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000591096974 507114018 /nfs/dbraw/zinc/11/40/18/507114018.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000591096974 507114020 /nfs/dbraw/zinc/11/40/20/507114020.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CC(C)(CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000600832551 507141717 /nfs/dbraw/zinc/14/17/17/507141717.db2.gz WEELHBATVYUNEX-UHFFFAOYSA-N 1 3 352.567 3.206 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859702 507150911 /nfs/dbraw/zinc/15/09/11/507150911.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859702 507150919 /nfs/dbraw/zinc/15/09/19/507150919.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000584136827 507172220 /nfs/dbraw/zinc/17/22/20/507172220.db2.gz RJTOIDNDKJOQJF-IRXDYDNUSA-N 1 3 357.498 3.312 20 0 FGADHO CCN1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591425822 507246387 /nfs/dbraw/zinc/24/63/87/507246387.db2.gz XLOFKMAERXSNTQ-SFHVURJKSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591425822 507246393 /nfs/dbraw/zinc/24/63/93/507246393.db2.gz XLOFKMAERXSNTQ-SFHVURJKSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579394 507300586 /nfs/dbraw/zinc/30/05/86/507300586.db2.gz XJRYJAXLFPVDRQ-RISCZKNCSA-N 1 3 356.251 3.084 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000584308506 507271212 /nfs/dbraw/zinc/27/12/12/507271212.db2.gz KETKWOKAAOMRBV-UHFFFAOYSA-N 1 3 352.482 3.195 20 0 FGADHO CC(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCCC1 ZINC000591538300 507281915 /nfs/dbraw/zinc/28/19/15/507281915.db2.gz FFGNSVQTGXXYRR-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601214411 507297918 /nfs/dbraw/zinc/29/79/18/507297918.db2.gz DFJFVJJBWHFGHZ-WOJBJXKFSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579952 507300919 /nfs/dbraw/zinc/30/09/19/507300919.db2.gz AXRDUHPZAWQCCI-QMTHXVAHSA-N 1 3 374.241 3.223 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000591618340 507314308 /nfs/dbraw/zinc/31/43/08/507314308.db2.gz QDVVXNREUMULFH-HXUWFJFHSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000591618340 507314311 /nfs/dbraw/zinc/31/43/11/507314311.db2.gz QDVVXNREUMULFH-HXUWFJFHSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460446 507358236 /nfs/dbraw/zinc/35/82/36/507358236.db2.gz IAYZTGDWBRTHQV-GHTZIAJQSA-N 1 3 355.482 3.368 20 0 FGADHO COC(=O)c1coc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000595070495 507378515 /nfs/dbraw/zinc/37/85/15/507378515.db2.gz VICWXENMXWXJSJ-OAHLLOKOSA-N 1 3 357.454 3.024 20 0 FGADHO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(SC)CCN(C)CC2)s1 ZINC000584809104 507515902 /nfs/dbraw/zinc/51/59/02/507515902.db2.gz BCGVOBVUHZFOOU-CYBMUJFWSA-N 1 3 357.589 3.118 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)[C@@H]1SC ZINC000592394833 507637351 /nfs/dbraw/zinc/63/73/51/507637351.db2.gz LHQJXSWUZFOPEA-AXUOBQJMSA-N 1 3 352.544 3.187 20 0 FGADHO CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000592394833 507637358 /nfs/dbraw/zinc/63/73/58/507637358.db2.gz LHQJXSWUZFOPEA-AXUOBQJMSA-N 1 3 352.544 3.187 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756131 507661243 /nfs/dbraw/zinc/66/12/43/507661243.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756131 507661245 /nfs/dbraw/zinc/66/12/45/507661245.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 1 3 357.542 3.276 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000607384859 507715849 /nfs/dbraw/zinc/71/58/49/507715849.db2.gz GMOBBEMLDGGANL-OAQYLSRUSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607384859 507715853 /nfs/dbraw/zinc/71/58/53/507715853.db2.gz GMOBBEMLDGGANL-OAQYLSRUSA-N 1 3 365.521 3.390 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948692 609133474 /nfs/dbraw/zinc/13/34/74/609133474.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948692 609133475 /nfs/dbraw/zinc/13/34/75/609133475.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948692 609133476 /nfs/dbraw/zinc/13/34/76/609133476.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948692 609133477 /nfs/dbraw/zinc/13/34/77/609133477.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 1 3 360.481 3.169 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000123403736 700704193 /nfs/dbraw/zinc/70/41/93/700704193.db2.gz BHGFYWPPJCFLOA-ZWKOTPCHSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000123403736 700704194 /nfs/dbraw/zinc/70/41/94/700704194.db2.gz BHGFYWPPJCFLOA-ZWKOTPCHSA-N 1 3 351.535 3.429 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094811 714218133 /nfs/dbraw/zinc/21/81/33/714218133.db2.gz HTJRFYWWOPUQEB-INIZCTEOSA-N 1 3 366.575 3.063 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074328 714567181 /nfs/dbraw/zinc/56/71/81/714567181.db2.gz RYUYRJMFNNDUGK-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000617503238 714662817 /nfs/dbraw/zinc/66/28/17/714662817.db2.gz AKOAAEQIBZXSAW-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000617503238 714662820 /nfs/dbraw/zinc/66/28/20/714662820.db2.gz AKOAAEQIBZXSAW-INIZCTEOSA-N 1 3 365.949 3.051 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384105 715323027 /nfs/dbraw/zinc/32/30/27/715323027.db2.gz OUWHEOIWXURNBC-RTBURBONSA-N 1 3 365.949 3.176 20 0 FGADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000623564142 715362179 /nfs/dbraw/zinc/36/21/79/715362179.db2.gz SYEPJFWFNDPYEC-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000623564142 715362185 /nfs/dbraw/zinc/36/21/85/715362185.db2.gz SYEPJFWFNDPYEC-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862291 715417313 /nfs/dbraw/zinc/41/73/13/715417313.db2.gz QNWTXQFPJPUNQO-MRXNPFEDSA-N 1 3 368.363 3.436 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119932 715476481 /nfs/dbraw/zinc/47/64/81/715476481.db2.gz MUSDEQNEROJJHX-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119932 715476483 /nfs/dbraw/zinc/47/64/83/715476483.db2.gz MUSDEQNEROJJHX-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119932 715476487 /nfs/dbraw/zinc/47/64/87/715476487.db2.gz MUSDEQNEROJJHX-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO CC1(C)C[C@@H]([NH2+]CC2(N)CCOCC2)c2cc(Br)ccc21 ZINC000629522265 716302998 /nfs/dbraw/zinc/30/29/98/716302998.db2.gz YXDQGVXDDJLDRD-OAHLLOKOSA-N 1 3 353.304 3.269 20 0 FGADHO [NH3+]Cc1cccc2c1N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC000638543086 717456787 /nfs/dbraw/zinc/45/67/87/717456787.db2.gz PQOYHTIJWRAXNA-CABCVRRESA-N 1 3 356.388 3.172 20 0 FGADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CC4CCSCC4)CC3)C2)cc1 ZINC000639163421 717526457 /nfs/dbraw/zinc/52/64/57/717526457.db2.gz XZDVYEWCPKVVHK-OAQYLSRUSA-N 1 3 359.583 3.022 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC4CCSCC4)CC3)C2)cc1 ZINC000639163421 717526463 /nfs/dbraw/zinc/52/64/63/717526463.db2.gz XZDVYEWCPKVVHK-OAQYLSRUSA-N 1 3 359.583 3.022 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758513 717599181 /nfs/dbraw/zinc/59/91/81/717599181.db2.gz VVYNMHFYEQEUMV-DLBZAZTESA-N 1 3 361.555 3.218 20 0 FGADHO Cc1nn2c(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544026 718366589 /nfs/dbraw/zinc/36/65/89/718366589.db2.gz VPGSLNZGUCOHGR-HOTGVXAUSA-N 1 3 361.559 3.434 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000649949282 718593094 /nfs/dbraw/zinc/59/30/94/718593094.db2.gz VNAXVXUMKUJGLW-LSDHHAIUSA-N 1 3 358.404 3.477 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CCN ZINC000652354442 718936268 /nfs/dbraw/zinc/93/62/68/718936268.db2.gz YRIMNLNEYHOFDN-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CCN ZINC000652354442 718936270 /nfs/dbraw/zinc/93/62/70/718936270.db2.gz YRIMNLNEYHOFDN-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354442 718936271 /nfs/dbraw/zinc/93/62/71/718936271.db2.gz YRIMNLNEYHOFDN-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO O=C([C@@H]1CCC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000653149825 719017510 /nfs/dbraw/zinc/01/75/10/719017510.db2.gz HSMKZWMZGGGRAG-GOSISDBHSA-N 1 3 363.933 3.154 20 0 FGADHO COCC[N@H+](C)C[C@H](O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606437 719064314 /nfs/dbraw/zinc/06/43/14/719064314.db2.gz KLERSVVPBYDLDS-MOPGFXCFSA-N 1 3 354.922 3.100 20 0 FGADHO COCC[N@@H+](C)C[C@H](O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606437 719064317 /nfs/dbraw/zinc/06/43/17/719064317.db2.gz KLERSVVPBYDLDS-MOPGFXCFSA-N 1 3 354.922 3.100 20 0 FGADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717919 719329301 /nfs/dbraw/zinc/32/93/01/719329301.db2.gz GANHAXIYXGDQQH-VQTJNVASSA-N 1 3 365.949 3.176 20 0 FGADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719739 719329337 /nfs/dbraw/zinc/32/93/37/719329337.db2.gz LHBZOWIVUNNUMZ-RBUKOAKNSA-N 1 3 352.906 3.261 20 0 FGADHO Brc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657611638 719682622 /nfs/dbraw/zinc/68/26/22/719682622.db2.gz ANJHWUDBOXLKSZ-UHFFFAOYSA-N 1 3 364.287 3.439 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090657 /nfs/dbraw/zinc/09/06/57/720090657.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090661 /nfs/dbraw/zinc/09/06/61/720090661.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090868 /nfs/dbraw/zinc/09/08/68/720090868.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 1 3 353.304 3.246 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090874 /nfs/dbraw/zinc/09/08/74/720090874.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 1 3 353.304 3.246 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093576 /nfs/dbraw/zinc/09/35/76/720093576.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 1 3 360.889 3.350 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093581 /nfs/dbraw/zinc/09/35/81/720093581.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 1 3 360.889 3.350 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294213 720411162 /nfs/dbraw/zinc/41/11/62/720411162.db2.gz CBBSOAQLHJLIQN-MAUKXSAKSA-N 1 3 363.933 3.229 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000670133760 721518876 /nfs/dbraw/zinc/51/88/76/721518876.db2.gz IURRZIGPFKMMQL-KSZLIROESA-N 1 3 366.937 3.115 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799993 722409916 /nfs/dbraw/zinc/40/99/16/722409916.db2.gz NVPSAQQPLOPGMH-DLBZAZTESA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000790748121 723173033 /nfs/dbraw/zinc/17/30/33/723173033.db2.gz JUSXWLWPLCNWIM-DLBZAZTESA-N 1 3 353.551 3.391 20 0 FGADHO CC(C)(C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000791010229 723204941 /nfs/dbraw/zinc/20/49/41/723204941.db2.gz GLSDLYXNBAQDBB-UHFFFAOYSA-N 1 3 353.551 3.345 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@@H+]1CCC[C@@H]1C ZINC000766270229 723565416 /nfs/dbraw/zinc/56/54/16/723565416.db2.gz PKXXSNOHJGBARD-KGLIPLIRSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@H+]1CCC[C@@H]1C ZINC000766270229 723565417 /nfs/dbraw/zinc/56/54/17/723565417.db2.gz PKXXSNOHJGBARD-KGLIPLIRSA-N 1 3 353.894 3.140 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CCC[C@@H]1C ZINC000766271887 723565462 /nfs/dbraw/zinc/56/54/62/723565462.db2.gz GVJGRBZOOWWWEP-KGLIPLIRSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CCC[C@@H]1C ZINC000766271887 723565463 /nfs/dbraw/zinc/56/54/63/723565463.db2.gz GVJGRBZOOWWWEP-KGLIPLIRSA-N 1 3 357.420 3.496 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cnc(C)s2)CC1 ZINC000771975037 723747258 /nfs/dbraw/zinc/74/72/58/723747258.db2.gz CXZXYHZRIGNLEH-UHFFFAOYSA-N 1 3 358.555 3.316 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949001 724349422 /nfs/dbraw/zinc/34/94/22/724349422.db2.gz AKGYXAIKAKBUMM-QZTJIDSGSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949001 724349427 /nfs/dbraw/zinc/34/94/27/724349427.db2.gz AKGYXAIKAKBUMM-QZTJIDSGSA-N 1 3 353.551 3.440 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949001 724349431 /nfs/dbraw/zinc/34/94/31/724349431.db2.gz AKGYXAIKAKBUMM-QZTJIDSGSA-N 1 3 353.551 3.440 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809717360 725262085 /nfs/dbraw/zinc/26/20/85/725262085.db2.gz GPIVIHPJELJDSK-DFBDCSAJSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000809717360 725262087 /nfs/dbraw/zinc/26/20/87/725262087.db2.gz GPIVIHPJELJDSK-DFBDCSAJSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146490 725292831 /nfs/dbraw/zinc/29/28/31/725292831.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 1 3 355.542 3.073 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146490 725292834 /nfs/dbraw/zinc/29/28/34/725292834.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 1 3 355.542 3.073 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146489 725292863 /nfs/dbraw/zinc/29/28/63/725292863.db2.gz RMWZFAAIGRZENH-MBOZVWFJSA-N 1 3 355.542 3.073 20 0 FGADHO CC(C)[NH+]1CCC(N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246297 725299507 /nfs/dbraw/zinc/29/95/07/725299507.db2.gz MPCDZWCMZXWWGN-OXQOHEQNSA-N 1 3 353.551 3.342 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810417072 725306894 /nfs/dbraw/zinc/30/68/94/725306894.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 1 3 355.542 3.169 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810417072 725306896 /nfs/dbraw/zinc/30/68/96/725306896.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 1 3 355.542 3.169 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525722 725372620 /nfs/dbraw/zinc/37/26/20/725372620.db2.gz XXCYLRUMLVROAB-YZVOILCLSA-N 1 3 353.482 3.038 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525722 725372622 /nfs/dbraw/zinc/37/26/22/725372622.db2.gz XXCYLRUMLVROAB-YZVOILCLSA-N 1 3 353.482 3.038 20 0 FGADHO O=C(CNC1CC(c2ccc(Cl)cc2)C1)NCC[NH+]1CCCCCC1 ZINC000816620836 727181436 /nfs/dbraw/zinc/18/14/36/727181436.db2.gz NQCWQQPKJPNRJI-UHFFFAOYSA-N 1 3 363.933 3.168 20 0 FGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984964 727290764 /nfs/dbraw/zinc/29/07/64/727290764.db2.gz CZGWREFSBOZEET-GVDBMIGSSA-N 1 3 351.535 3.429 20 0 FGADHO CC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984964 727290765 /nfs/dbraw/zinc/29/07/65/727290765.db2.gz CZGWREFSBOZEET-GVDBMIGSSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818969402 727332355 /nfs/dbraw/zinc/33/23/55/727332355.db2.gz PBEMZJOYSQPUTB-MRXNPFEDSA-N 1 3 373.310 3.474 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961931 729314278 /nfs/dbraw/zinc/31/42/78/729314278.db2.gz ZNTUCJZKLQSCST-BRSBDYLESA-N 1 3 353.551 3.484 20 0 FGADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292938 729328970 /nfs/dbraw/zinc/32/89/70/729328970.db2.gz WOLVWIVIEINHRA-KURKYZTESA-N 1 3 353.551 3.438 20 0 FGADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292938 729328971 /nfs/dbraw/zinc/32/89/71/729328971.db2.gz WOLVWIVIEINHRA-KURKYZTESA-N 1 3 353.551 3.438 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825342507 729379518 /nfs/dbraw/zinc/37/95/18/729379518.db2.gz DGCXEORNDXQBQB-MRXNPFEDSA-N 1 3 355.320 3.335 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831769630 729666524 /nfs/dbraw/zinc/66/65/24/729666524.db2.gz UEKQBQYYKANYMR-XJKSGUPXSA-N 1 3 354.926 3.060 20 0 FGADHO CCc1cc2oc(=O)cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2cc1Cl ZINC000843386717 730612774 /nfs/dbraw/zinc/61/27/74/730612774.db2.gz LXPVLNQMDKMHKM-GASCZTMLSA-N 1 3 360.885 3.440 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000848241277 731148428 /nfs/dbraw/zinc/14/84/28/731148428.db2.gz LULJBFGLKAKPSH-MOPGFXCFSA-N 1 3 373.944 3.004 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475263 733209200 /nfs/dbraw/zinc/20/92/00/733209200.db2.gz JDCOUVPBAMBISJ-CRAIPNDOSA-N 1 3 355.511 3.203 20 0 FGADHO Cn1ncc2cc(CNC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475263 733209202 /nfs/dbraw/zinc/20/92/02/733209202.db2.gz JDCOUVPBAMBISJ-CRAIPNDOSA-N 1 3 355.511 3.203 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)nn1 ZINC000873243019 735743307 /nfs/dbraw/zinc/74/33/07/735743307.db2.gz IGPUQLZSDNWGND-IBGZPJMESA-N 1 3 353.857 3.157 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516871 740011207 /nfs/dbraw/zinc/01/12/07/740011207.db2.gz QBKPOVNMTUJXFN-KFWWJZLASA-N 1 3 352.441 3.217 20 0 FGADHO CCN1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190113 742250615 /nfs/dbraw/zinc/25/06/15/742250615.db2.gz JEIZSWOEGDWNMS-CSNJMZFVSA-N 1 3 351.535 3.096 20 0 FGADHO Cc1cccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765135 743881487 /nfs/dbraw/zinc/88/14/87/743881487.db2.gz YPVWKDFUVIROFO-XIRDDKMYSA-N 1 3 367.331 3.476 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391544 758911535 /nfs/dbraw/zinc/91/15/35/758911535.db2.gz WMVHFCCXJYGNJQ-YWTNHNAXSA-N 1 3 363.889 3.051 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391544 758911538 /nfs/dbraw/zinc/91/15/38/758911538.db2.gz WMVHFCCXJYGNJQ-YWTNHNAXSA-N 1 3 363.889 3.051 20 0 FGADHO C[C@@H](c1cccc(Br)c1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452385 759120364 /nfs/dbraw/zinc/12/03/64/759120364.db2.gz QLGXTXYTFMDBRL-BBRMVZONSA-N 1 3 353.304 3.340 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000923449972 759120780 /nfs/dbraw/zinc/12/07/80/759120780.db2.gz RNJJHIOPIASUFK-CQSZACIVSA-N 1 3 360.832 3.271 20 0 FGADHO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@@H](CC[NH3+])C1 ZINC000923488336 759129641 /nfs/dbraw/zinc/12/96/41/759129641.db2.gz RZYWAAGPKFLYHP-NWDGAFQWSA-N 1 3 354.376 3.487 20 0 FGADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488558 759130718 /nfs/dbraw/zinc/13/07/18/759130718.db2.gz CEXJQFOSJHDXQY-DYVFJYSZSA-N 1 3 370.324 3.328 20 0 FGADHO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925775315 759533917 /nfs/dbraw/zinc/53/39/17/759533917.db2.gz FPVOOXPQXBZUQE-RNCFNFMXSA-N 1 3 363.221 3.410 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000960639412 762736781 /nfs/dbraw/zinc/73/67/81/762736781.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000960639412 762736783 /nfs/dbraw/zinc/73/67/83/762736783.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001033098068 766207225 /nfs/dbraw/zinc/20/72/25/766207225.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001033098068 766207231 /nfs/dbraw/zinc/20/72/31/766207231.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 1 3 363.571 3.128 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063784457 205294551 /nfs/dbraw/zinc/29/45/51/205294551.db2.gz JCGPISICZSPEQD-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063784457 205294556 /nfs/dbraw/zinc/29/45/56/205294556.db2.gz JCGPISICZSPEQD-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293555318 257380281 /nfs/dbraw/zinc/38/02/81/257380281.db2.gz FLQSRXSSCODFFR-YYWHXJBOSA-N 1 3 351.494 3.103 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608392 505577823 /nfs/dbraw/zinc/57/78/23/505577823.db2.gz OUDVVAHTTGPXKA-HYVNUMGLSA-N 1 3 364.415 3.450 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000570894541 505605112 /nfs/dbraw/zinc/60/51/12/505605112.db2.gz PTYJIYTYQZCVBI-DOTOQJQBSA-N 1 3 354.564 3.159 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000570894541 505605114 /nfs/dbraw/zinc/60/51/14/505605114.db2.gz PTYJIYTYQZCVBI-DOTOQJQBSA-N 1 3 354.564 3.159 20 0 FGADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788474 505620931 /nfs/dbraw/zinc/62/09/31/505620931.db2.gz XAWJLMKKLGAGHI-OWZKRDHZSA-N 1 3 364.493 3.195 20 0 FGADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788474 505620934 /nfs/dbraw/zinc/62/09/34/505620934.db2.gz XAWJLMKKLGAGHI-OWZKRDHZSA-N 1 3 364.493 3.195 20 0 FGADHO c1cnn(Cc2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)c1 ZINC000576934924 505628507 /nfs/dbraw/zinc/62/85/07/505628507.db2.gz QLBIJSKNVIINOO-JTHBVZDNSA-N 1 3 374.488 3.277 20 0 FGADHO OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000573987896 505667049 /nfs/dbraw/zinc/66/70/49/505667049.db2.gz JKAJDYUSQSXZFG-QHAWAJNXSA-N 1 3 362.583 3.382 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198320 505677673 /nfs/dbraw/zinc/67/76/73/505677673.db2.gz JLMITHAPMRTBJZ-KXBFYZLASA-N 1 3 354.922 3.241 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050802063 493935679 /nfs/dbraw/zinc/93/56/79/493935679.db2.gz MLXZFUFGAXRWGH-UHFFFAOYSA-N 1 3 357.542 3.273 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069298948 493952200 /nfs/dbraw/zinc/95/22/00/493952200.db2.gz GEIRWNHWLVLMRB-ZWKOTPCHSA-N 1 3 360.546 3.145 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069298948 493952203 /nfs/dbraw/zinc/95/22/03/493952203.db2.gz GEIRWNHWLVLMRB-ZWKOTPCHSA-N 1 3 360.546 3.145 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H](C)C(C)(C)C)CC1 ZINC000052557973 494039791 /nfs/dbraw/zinc/03/97/91/494039791.db2.gz JUPPZRSGPBDJPS-GOSISDBHSA-N 1 3 359.558 3.442 20 0 FGADHO OCC[C@H]1CCCCN1Cc1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073793 /nfs/dbraw/zinc/07/37/93/494073793.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCCN1Cc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073796 /nfs/dbraw/zinc/07/37/96/494073796.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCC[N@H+]1Cc1cccc(CN2CCCC[C@H]2CCO)c1 ZINC000070950233 494073798 /nfs/dbraw/zinc/07/37/98/494073798.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO OCC[C@H]1CCCC[N@@H+]1Cc1cccc(CN2CCCC[C@H]2CCO)c1 ZINC000070950233 494073801 /nfs/dbraw/zinc/07/38/01/494073801.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366748 494117349 /nfs/dbraw/zinc/11/73/49/494117349.db2.gz AIWXBHIFGAKDPI-MOPGFXCFSA-N 1 3 374.573 3.269 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC000065466469 494200434 /nfs/dbraw/zinc/20/04/34/494200434.db2.gz WZDICCFTVGFRJD-HXUWFJFHSA-N 1 3 360.546 3.017 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703157 494256459 /nfs/dbraw/zinc/25/64/59/494256459.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 1 3 372.601 3.429 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703157 494256464 /nfs/dbraw/zinc/25/64/64/494256464.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 1 3 372.601 3.429 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000078559855 494320166 /nfs/dbraw/zinc/32/01/66/494320166.db2.gz VYBHFLTYMWVSKB-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402814 505720684 /nfs/dbraw/zinc/72/06/84/505720684.db2.gz PGSHNDXKTOLDPY-KNQAVFIVSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402814 505720688 /nfs/dbraw/zinc/72/06/88/505720688.db2.gz PGSHNDXKTOLDPY-KNQAVFIVSA-N 1 3 365.521 3.368 20 0 FGADHO CC(C)N(Cc1cncc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277818 505720757 /nfs/dbraw/zinc/72/07/57/505720757.db2.gz BEYQVRMQOKNKSG-NHCUHLMSSA-N 1 3 361.530 3.080 20 0 FGADHO CC(C)N(Cc1cncc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277818 505720760 /nfs/dbraw/zinc/72/07/60/505720760.db2.gz BEYQVRMQOKNKSG-NHCUHLMSSA-N 1 3 361.530 3.080 20 0 FGADHO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028220 494430557 /nfs/dbraw/zinc/43/05/57/494430557.db2.gz YYQBWUFHHBHOTC-GOSISDBHSA-N 1 3 369.509 3.216 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079293225 494431345 /nfs/dbraw/zinc/43/13/45/494431345.db2.gz MFVOEGUBKSCIOE-IBGZPJMESA-N 1 3 364.578 3.158 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038565 494431325 /nfs/dbraw/zinc/43/13/25/494431325.db2.gz BSOGAIKTGFNHLK-AWEZNQCLSA-N 1 3 374.554 3.156 20 0 FGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038558 494431480 /nfs/dbraw/zinc/43/14/80/494431480.db2.gz ZBYKYGOHQRTTCR-KRWDZBQOSA-N 1 3 371.500 3.228 20 0 FGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000090038757 494432548 /nfs/dbraw/zinc/43/25/48/494432548.db2.gz OSTCXXVWNXTZLZ-LJQANCHMSA-N 1 3 369.509 3.374 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000073897533 494444568 /nfs/dbraw/zinc/44/45/68/494444568.db2.gz UXZQGMSPXOLYNP-PMACEKPBSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000073897533 494444571 /nfs/dbraw/zinc/44/45/71/494444571.db2.gz UXZQGMSPXOLYNP-PMACEKPBSA-N 1 3 360.546 3.114 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079394519 494445731 /nfs/dbraw/zinc/44/57/31/494445731.db2.gz GRZKXDYFAJXJTF-RTBURBONSA-N 1 3 374.573 3.306 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000079572218 494483996 /nfs/dbraw/zinc/48/39/96/494483996.db2.gz GWRBDKCFBAGDFG-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000079572218 494484000 /nfs/dbraw/zinc/48/40/00/494484000.db2.gz GWRBDKCFBAGDFG-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000090936993 494504926 /nfs/dbraw/zinc/50/49/26/494504926.db2.gz VIUSFKQZHHDAAZ-DLBZAZTESA-N 1 3 357.498 3.312 20 0 FGADHO C[NH+](C)CCC1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000056523921 494520187 /nfs/dbraw/zinc/52/01/87/494520187.db2.gz QGQWFKODPAVCTH-UHFFFAOYSA-N 1 3 359.558 3.477 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000074710364 494579038 /nfs/dbraw/zinc/57/90/38/494579038.db2.gz BFOQSAGYPKRQTC-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333568 494584311 /nfs/dbraw/zinc/58/43/11/494584311.db2.gz GQUYGKGZSWOFBT-FXAWDEMLSA-N 1 3 361.505 3.234 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075158495 494699134 /nfs/dbraw/zinc/69/91/34/494699134.db2.gz QDJTXXLPBDSLHF-MRXNPFEDSA-N 1 3 357.498 3.441 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000075158495 494699143 /nfs/dbraw/zinc/69/91/43/494699143.db2.gz QDJTXXLPBDSLHF-MRXNPFEDSA-N 1 3 357.498 3.441 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000580340628 505736569 /nfs/dbraw/zinc/73/65/69/505736569.db2.gz VLJPTCBURZVZDZ-ULQDDVLXSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000580340628 505736572 /nfs/dbraw/zinc/73/65/72/505736572.db2.gz VLJPTCBURZVZDZ-ULQDDVLXSA-N 1 3 360.889 3.395 20 0 FGADHO CN1CCC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428629 494705423 /nfs/dbraw/zinc/70/54/23/494705423.db2.gz UQEDCDQLXVAEDM-ZDUSSCGKSA-N 1 3 351.288 3.156 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075200298 494706314 /nfs/dbraw/zinc/70/63/14/494706314.db2.gz KOZKPNBDPKFUFR-KRWDZBQOSA-N 1 3 369.509 3.489 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200298 494706325 /nfs/dbraw/zinc/70/63/25/494706325.db2.gz KOZKPNBDPKFUFR-KRWDZBQOSA-N 1 3 369.509 3.489 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108500158 494723646 /nfs/dbraw/zinc/72/36/46/494723646.db2.gz LYEPJPUEPBJRPG-GOSISDBHSA-N 1 3 374.529 3.013 20 0 FGADHO COCCc1nc(C)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742009 494735748 /nfs/dbraw/zinc/73/57/48/494735748.db2.gz SDJNEYHWBXSKAA-OWCLPIDISA-N 1 3 369.575 3.180 20 0 FGADHO C[C@H](C(=O)N1CCCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820970 494762841 /nfs/dbraw/zinc/76/28/41/494762841.db2.gz ICKXNORUFPLTQV-LJQANCHMSA-N 1 3 372.557 3.411 20 0 FGADHO OCCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629254 505740329 /nfs/dbraw/zinc/74/03/29/505740329.db2.gz BXBXQINRYKISMG-OAQYLSRUSA-N 1 3 366.505 3.345 20 0 FGADHO OCCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629254 505740332 /nfs/dbraw/zinc/74/03/32/505740332.db2.gz BXBXQINRYKISMG-OAQYLSRUSA-N 1 3 366.505 3.345 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126544282 494785477 /nfs/dbraw/zinc/78/54/77/494785477.db2.gz XRTPTCDYDRALAU-JOCHJYFZSA-N 1 3 371.569 3.396 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000116435076 494786007 /nfs/dbraw/zinc/78/60/07/494786007.db2.gz IFFVDNVPIVCHKP-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000116435076 494786009 /nfs/dbraw/zinc/78/60/09/494786009.db2.gz IFFVDNVPIVCHKP-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CCOc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000093735021 494914941 /nfs/dbraw/zinc/91/49/41/494914941.db2.gz XSZNBINICRDJQM-UHFFFAOYSA-N 1 3 362.514 3.171 20 0 FGADHO Cc1cc(C)n2c(CN3CCC(CCC[NH+]4CCCC4)CC3)cnc2n1 ZINC000093769319 494919099 /nfs/dbraw/zinc/91/90/99/494919099.db2.gz BJYJPNQGIBGQJN-UHFFFAOYSA-N 1 3 355.530 3.434 20 0 FGADHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1CC ZINC000122353590 494962250 /nfs/dbraw/zinc/96/22/50/494962250.db2.gz LKKBLXDYAUYUSS-UHFFFAOYSA-N 1 3 372.557 3.492 20 0 FGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000122403164 494970268 /nfs/dbraw/zinc/97/02/68/494970268.db2.gz DAWKWYNUIWDSIQ-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]1CSCCN(Cc2cncc(C[N@@H+]3CCSC[C@H](C)C3)c2)C1 ZINC000577577875 505756822 /nfs/dbraw/zinc/75/68/22/505756822.db2.gz WDPSLXRNIUBEJN-IAGOWNOFSA-N 1 3 365.612 3.451 20 0 FGADHO C[C@H]1CSCCN(Cc2cncc(C[N@H+]3CCSC[C@H](C)C3)c2)C1 ZINC000577577875 505756825 /nfs/dbraw/zinc/75/68/25/505756825.db2.gz WDPSLXRNIUBEJN-IAGOWNOFSA-N 1 3 365.612 3.451 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807777 495034411 /nfs/dbraw/zinc/03/44/11/495034411.db2.gz BUIBQEINTDFENB-OTWHNJEPSA-N 1 3 372.557 3.337 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807777 495034414 /nfs/dbraw/zinc/03/44/14/495034414.db2.gz BUIBQEINTDFENB-OTWHNJEPSA-N 1 3 372.557 3.337 20 0 FGADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-n2cnnn2)cc1 ZINC000123078834 495077298 /nfs/dbraw/zinc/07/72/98/495077298.db2.gz MUOAEYQDOFOALX-KRWDZBQOSA-N 1 3 362.481 3.109 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123311881 495112693 /nfs/dbraw/zinc/11/26/93/495112693.db2.gz AMFYMCDVZINUCG-IBGZPJMESA-N 1 3 359.558 3.477 20 0 FGADHO CC(C)N(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102013638 495115364 /nfs/dbraw/zinc/11/53/64/495115364.db2.gz AYIJVTPERJGMQK-UHFFFAOYSA-N 1 3 372.557 3.165 20 0 FGADHO COc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000119423501 495164442 /nfs/dbraw/zinc/16/44/42/495164442.db2.gz KWGPZYQKNOEEMN-RTWAWAEBSA-N 1 3 367.493 3.038 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228036 495205968 /nfs/dbraw/zinc/20/59/68/495205968.db2.gz WAZMJIRBSSOQIG-LJQANCHMSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103228036 495205971 /nfs/dbraw/zinc/20/59/71/495205971.db2.gz WAZMJIRBSSOQIG-LJQANCHMSA-N 1 3 357.542 3.231 20 0 FGADHO CN(CCN1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000112746788 495235375 /nfs/dbraw/zinc/23/53/75/495235375.db2.gz LGUCEDLAUZACTR-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000103506864 495244484 /nfs/dbraw/zinc/24/44/84/495244484.db2.gz UVZVOCZIRHKAQX-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000577647425 505770411 /nfs/dbraw/zinc/77/04/11/505770411.db2.gz NUFVKICSYQTQBW-GCJKJVERSA-N 1 3 365.521 3.184 20 0 FGADHO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1cccc(OCCN(C)C)c1 ZINC000577655683 505770861 /nfs/dbraw/zinc/77/08/61/505770861.db2.gz VFOZCXNVCMVSFT-HNAYVOBHSA-N 1 3 358.457 3.420 20 0 FGADHO COC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439045 505773402 /nfs/dbraw/zinc/77/34/02/505773402.db2.gz PQIKZFHYPZPSJQ-JOCHJYFZSA-N 1 3 371.569 3.228 20 0 FGADHO COC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439045 505773407 /nfs/dbraw/zinc/77/34/07/505773407.db2.gz PQIKZFHYPZPSJQ-JOCHJYFZSA-N 1 3 371.569 3.228 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000129970901 495321964 /nfs/dbraw/zinc/32/19/64/495321964.db2.gz SUPKZUYMEVLIJS-IBGZPJMESA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000129970901 495321967 /nfs/dbraw/zinc/32/19/67/495321967.db2.gz SUPKZUYMEVLIJS-IBGZPJMESA-N 1 3 357.542 3.220 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000113625575 495322993 /nfs/dbraw/zinc/32/29/93/495322993.db2.gz SBFNVBQBYBRZQY-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CN(C(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000130104247 495342276 /nfs/dbraw/zinc/34/22/76/495342276.db2.gz XFDDEWHOJCIREO-UHFFFAOYSA-N 1 3 366.509 3.283 20 0 FGADHO CN(C(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000130104247 495342278 /nfs/dbraw/zinc/34/22/78/495342278.db2.gz XFDDEWHOJCIREO-UHFFFAOYSA-N 1 3 366.509 3.283 20 0 FGADHO COc1c(Cl)cc(Cl)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476424 495365844 /nfs/dbraw/zinc/36/58/44/495365844.db2.gz YRFDUQSNAZZKEX-UHFFFAOYSA-N 1 3 360.329 3.119 20 0 FGADHO COc1c(Cl)cc(Cl)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476424 495365847 /nfs/dbraw/zinc/36/58/47/495365847.db2.gz YRFDUQSNAZZKEX-UHFFFAOYSA-N 1 3 360.329 3.119 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000571630282 505777475 /nfs/dbraw/zinc/77/74/75/505777475.db2.gz KOEZXOJWDRMFSO-RTBURBONSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630282 505777479 /nfs/dbraw/zinc/77/74/79/505777479.db2.gz KOEZXOJWDRMFSO-RTBURBONSA-N 1 3 374.573 3.269 20 0 FGADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326863 495426684 /nfs/dbraw/zinc/42/66/84/495426684.db2.gz SILJVOLGSNXUBW-FYYLOGMGSA-N 1 3 372.601 3.217 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335284 495427968 /nfs/dbraw/zinc/42/79/68/495427968.db2.gz AXXOWFCCWDLROM-SFTDATJTSA-N 1 3 370.585 3.112 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000125403208 495439330 /nfs/dbraw/zinc/43/93/30/495439330.db2.gz KIUMDGQITBSNNN-HRAATJIYSA-N 1 3 358.482 3.020 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798169 495460081 /nfs/dbraw/zinc/46/00/81/495460081.db2.gz GFGYVOHUDXHGOV-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798169 495460086 /nfs/dbraw/zinc/46/00/86/495460086.db2.gz GFGYVOHUDXHGOV-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798169 495460088 /nfs/dbraw/zinc/46/00/88/495460088.db2.gz GFGYVOHUDXHGOV-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO Cc1cc(C)cc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000107335572 495525413 /nfs/dbraw/zinc/52/54/13/495525413.db2.gz MULUYRAJNYWXAJ-GOSISDBHSA-N 1 3 372.557 3.222 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107385235 495526734 /nfs/dbraw/zinc/52/67/34/495526734.db2.gz NTJDHXWDANZGTH-KRWDZBQOSA-N 1 3 362.518 3.013 20 0 FGADHO CN(C)CCN(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000176191515 495538946 /nfs/dbraw/zinc/53/89/46/495538946.db2.gz OUAJUTOAOLGLDK-UHFFFAOYSA-N 1 3 368.525 3.118 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154232725 495552620 /nfs/dbraw/zinc/55/26/20/495552620.db2.gz OJMUPNUWWSKLAS-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000154233360 495552701 /nfs/dbraw/zinc/55/27/01/495552701.db2.gz QUUMWEPQWBYIES-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000170716043 495578025 /nfs/dbraw/zinc/57/80/25/495578025.db2.gz DURBFRYZFJNCIS-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154326239 495582128 /nfs/dbraw/zinc/58/21/28/495582128.db2.gz DPDINCXPDCBPMQ-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000154388928 495601268 /nfs/dbraw/zinc/60/12/68/495601268.db2.gz KODGBDSXIGYJRS-DLBZAZTESA-N 1 3 360.571 3.406 20 0 FGADHO CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159050917 495646277 /nfs/dbraw/zinc/64/62/77/495646277.db2.gz PAGYDDLZOMVGHJ-OAQYLSRUSA-N 1 3 372.557 3.165 20 0 FGADHO COC(=O)c1cccc(OCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185692650 495682364 /nfs/dbraw/zinc/68/23/64/495682364.db2.gz JVPWWLPMFHNRJJ-SJLPKXTDSA-N 1 3 360.498 3.095 20 0 FGADHO CN(c1ccccc1CNCCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000150984169 495701896 /nfs/dbraw/zinc/70/18/96/495701896.db2.gz QVVHOAFNULCZHN-UHFFFAOYSA-N 1 3 361.530 3.038 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OCC ZINC000150999322 495706294 /nfs/dbraw/zinc/70/62/94/495706294.db2.gz XYWHKZOMQDSBJY-KRWDZBQOSA-N 1 3 363.546 3.161 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000154837464 495744189 /nfs/dbraw/zinc/74/41/89/495744189.db2.gz WSKWHQZMCMGYCV-QFIPXVFZSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129186 495748184 /nfs/dbraw/zinc/74/81/84/495748184.db2.gz JMIVZGVGFVTKHF-INIZCTEOSA-N 1 3 363.933 3.266 20 0 FGADHO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962236 495777464 /nfs/dbraw/zinc/77/74/64/495777464.db2.gz VBBPVPWFSVSGAE-OALUTQOASA-N 1 3 374.573 3.096 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1F ZINC000179939849 495792476 /nfs/dbraw/zinc/79/24/76/495792476.db2.gz GRWVBUOANRKQPW-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1F ZINC000179939849 495792485 /nfs/dbraw/zinc/79/24/85/495792485.db2.gz GRWVBUOANRKQPW-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000171303651 495812405 /nfs/dbraw/zinc/81/24/05/495812405.db2.gz JUSINGJLQRPJSB-OALUTQOASA-N 1 3 368.525 3.194 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183127123 495845553 /nfs/dbraw/zinc/84/55/53/495845553.db2.gz CKEXFZUTTFGBBO-ACIOBRDBSA-N 1 3 366.553 3.470 20 0 FGADHO NC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000180106736 495861390 /nfs/dbraw/zinc/86/13/90/495861390.db2.gz RTEBYFURQRTKST-SEJPIABJSA-N 1 3 364.493 3.462 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171575799 495932342 /nfs/dbraw/zinc/93/23/42/495932342.db2.gz JIEGNIDOWMDFSR-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000174413725 495948836 /nfs/dbraw/zinc/94/88/36/495948836.db2.gz PNKWYRULVBEKNI-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000174413725 495948840 /nfs/dbraw/zinc/94/88/40/495948840.db2.gz PNKWYRULVBEKNI-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155419506 495951629 /nfs/dbraw/zinc/95/16/29/495951629.db2.gz UZBVBQOIMYDGEI-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155466687 495965418 /nfs/dbraw/zinc/96/54/18/495965418.db2.gz FOIMJCONBPGDNS-QGZVFWFLSA-N 1 3 366.509 3.099 20 0 FGADHO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467667 495972814 /nfs/dbraw/zinc/97/28/14/495972814.db2.gz ZJMWXHBMHLWPQU-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO CC(=O)Nc1cccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000177510753 496092209 /nfs/dbraw/zinc/09/22/09/496092209.db2.gz AOQSZVQMPKUTKG-QZTJIDSGSA-N 1 3 373.541 3.356 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180945929 496212457 /nfs/dbraw/zinc/21/24/57/496212457.db2.gz RWFBOSBHSRYXKG-OAHLLOKOSA-N 1 3 368.363 3.468 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180945929 496212463 /nfs/dbraw/zinc/21/24/63/496212463.db2.gz RWFBOSBHSRYXKG-OAHLLOKOSA-N 1 3 368.363 3.468 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000152766892 496249995 /nfs/dbraw/zinc/24/99/95/496249995.db2.gz YTUKFUSILALYTP-XEVCZEQESA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979746 496275014 /nfs/dbraw/zinc/27/50/14/496275014.db2.gz NOJPVOLDZGJGCE-KRWDZBQOSA-N 1 3 364.497 3.353 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979746 496275018 /nfs/dbraw/zinc/27/50/18/496275018.db2.gz NOJPVOLDZGJGCE-KRWDZBQOSA-N 1 3 364.497 3.353 20 0 FGADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178034327 496297732 /nfs/dbraw/zinc/29/77/32/496297732.db2.gz CELDILCCWVKBCH-QRVBRYPASA-N 1 3 361.530 3.191 20 0 FGADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374483 496362724 /nfs/dbraw/zinc/36/27/24/496362724.db2.gz QDZDBYYKBYQCGA-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374483 496362730 /nfs/dbraw/zinc/36/27/30/496362730.db2.gz QDZDBYYKBYQCGA-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000178208435 496370016 /nfs/dbraw/zinc/37/00/16/496370016.db2.gz XTGHGGYICXQSJX-INIZCTEOSA-N 1 3 356.466 3.249 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000162572631 496375603 /nfs/dbraw/zinc/37/56/03/496375603.db2.gz LDMGCMJSWIKJCN-PUAOIOHZSA-N 1 3 360.523 3.215 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000184497277 496412301 /nfs/dbraw/zinc/41/23/01/496412301.db2.gz ABQDKFDMCWFALK-IAGOWNOFSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869464 496425871 /nfs/dbraw/zinc/42/58/71/496425871.db2.gz BDAAQIQEBIMBNE-FGSXEWAUSA-N 1 3 364.537 3.463 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000157455941 496479896 /nfs/dbraw/zinc/47/98/96/496479896.db2.gz HUXCRBHOOCQDMA-LJQANCHMSA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157455941 496479897 /nfs/dbraw/zinc/47/98/97/496479897.db2.gz HUXCRBHOOCQDMA-LJQANCHMSA-N 1 3 374.573 3.400 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000178690368 496541954 /nfs/dbraw/zinc/54/19/54/496541954.db2.gz VIQOEPZTUYJIFZ-GCJKJVERSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000178690368 496541961 /nfs/dbraw/zinc/54/19/61/496541961.db2.gz VIQOEPZTUYJIFZ-GCJKJVERSA-N 1 3 365.521 3.420 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000181960413 496614346 /nfs/dbraw/zinc/61/43/46/496614346.db2.gz IYOZHQLMQQMMCG-MRXNPFEDSA-N 1 3 355.482 3.436 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000181960435 496614522 /nfs/dbraw/zinc/61/45/22/496614522.db2.gz VKVUNIZREPQPIK-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000164549401 496618526 /nfs/dbraw/zinc/61/85/26/496618526.db2.gz LMKFPAKNWDYPEH-NHCUHLMSSA-N 1 3 357.542 3.373 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000185034403 496630274 /nfs/dbraw/zinc/63/02/74/496630274.db2.gz YPAAEZGVNNHKAC-OALUTQOASA-N 1 3 366.571 3.259 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000185034403 496630278 /nfs/dbraw/zinc/63/02/78/496630278.db2.gz YPAAEZGVNNHKAC-OALUTQOASA-N 1 3 366.571 3.259 20 0 FGADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000185220529 496707725 /nfs/dbraw/zinc/70/77/25/496707725.db2.gz IUSPGAIXYIYQAI-RTWAWAEBSA-N 1 3 360.542 3.325 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246997784 496747162 /nfs/dbraw/zinc/74/71/62/496747162.db2.gz KNQGLJBNYJDWHI-BRWVUGGUSA-N 1 3 364.559 3.057 20 0 FGADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800902 496790024 /nfs/dbraw/zinc/79/00/24/496790024.db2.gz ANBCPEGFHDGICX-UGKGYDQZSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000268872339 496810285 /nfs/dbraw/zinc/81/02/85/496810285.db2.gz KSNYIKBDHIEFSL-RBBKRZOGSA-N 1 3 371.569 3.132 20 0 FGADHO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCN1CCN(C(C)C)CC1)CCC2 ZINC000191573107 496818173 /nfs/dbraw/zinc/81/81/73/496818173.db2.gz BEIQOWQLXILBNP-SFHVURJKSA-N 1 3 350.576 3.177 20 0 FGADHO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCN1CCN(C(C)C)CC1)CCC2 ZINC000191573107 496818179 /nfs/dbraw/zinc/81/81/79/496818179.db2.gz BEIQOWQLXILBNP-SFHVURJKSA-N 1 3 350.576 3.177 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000191574914 496818713 /nfs/dbraw/zinc/81/87/13/496818713.db2.gz RPRFUHHTOGGPCY-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268950332 496832031 /nfs/dbraw/zinc/83/20/31/496832031.db2.gz CGBWOILZVTYICS-HNNXBMFYSA-N 1 3 359.539 3.150 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000569176270 505869506 /nfs/dbraw/zinc/86/95/06/505869506.db2.gz LXQWRXXMRGXKIB-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)ccc3F)CC2)CC1 ZINC000195342966 496896961 /nfs/dbraw/zinc/89/69/61/496896961.db2.gz KYKNZVKDIPYCQM-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000191868520 496914986 /nfs/dbraw/zinc/91/49/86/496914986.db2.gz QKWRHQHCMYPOIS-FQEVSTJZSA-N 1 3 357.542 3.244 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000574875318 505873539 /nfs/dbraw/zinc/87/35/39/505873539.db2.gz XUXUYUKMPSXWOA-FUHWJXTLSA-N 1 3 365.949 3.256 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035656 496944806 /nfs/dbraw/zinc/94/48/06/496944806.db2.gz LCPSMYLBQVKGAY-LEWJYISDSA-N 1 3 370.541 3.092 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035656 496944812 /nfs/dbraw/zinc/94/48/12/496944812.db2.gz LCPSMYLBQVKGAY-LEWJYISDSA-N 1 3 370.541 3.092 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000572047328 505876965 /nfs/dbraw/zinc/87/69/65/505876965.db2.gz BUOYNNRNCULVHQ-UHFFFAOYSA-N 1 3 363.571 3.125 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440802 497012826 /nfs/dbraw/zinc/01/28/26/497012826.db2.gz JTCCLLIKXOMJLO-JXFKEZNVSA-N 1 3 368.477 3.223 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440802 497012829 /nfs/dbraw/zinc/01/28/29/497012829.db2.gz JTCCLLIKXOMJLO-JXFKEZNVSA-N 1 3 368.477 3.223 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450441 497014888 /nfs/dbraw/zinc/01/48/88/497014888.db2.gz PAFQSMGGCYFXGK-OXJNMPFZSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450441 497014889 /nfs/dbraw/zinc/01/48/89/497014889.db2.gz PAFQSMGGCYFXGK-OXJNMPFZSA-N 1 3 371.500 3.309 20 0 FGADHO CN(C)CCN1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165723 497021138 /nfs/dbraw/zinc/02/11/38/497021138.db2.gz PTLLRGAXLSRFJS-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000248464514 497022034 /nfs/dbraw/zinc/02/20/34/497022034.db2.gz ZKWADCMPYIHWMF-ONGXBYRLSA-N 1 3 359.514 3.064 20 0 FGADHO COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C2 ZINC000192439518 497114793 /nfs/dbraw/zinc/11/47/93/497114793.db2.gz IWUUQSSLYBVXRE-IBGZPJMESA-N 1 3 354.494 3.283 20 0 FGADHO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(OCCN(C)C)cc1 ZINC000278457008 497121153 /nfs/dbraw/zinc/12/11/53/497121153.db2.gz MDTRRFKXTQGDIM-ZDUSSCGKSA-N 1 3 366.399 3.195 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000278457008 497121156 /nfs/dbraw/zinc/12/11/56/497121156.db2.gz MDTRRFKXTQGDIM-ZDUSSCGKSA-N 1 3 366.399 3.195 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516060 497143343 /nfs/dbraw/zinc/14/33/43/497143343.db2.gz MDXAFKJQFSLABW-SFTDATJTSA-N 1 3 370.541 3.092 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)cc1 ZINC000236918497 497168098 /nfs/dbraw/zinc/16/80/98/497168098.db2.gz AGPCRSQFBNTKQG-UTKZUKDTSA-N 1 3 353.510 3.481 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555523 497221189 /nfs/dbraw/zinc/22/11/89/497221189.db2.gz LTLKFTPHVGYGHL-AZUAARDMSA-N 1 3 362.562 3.153 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237400773 497230837 /nfs/dbraw/zinc/23/08/37/497230837.db2.gz OTOWIBJWGYMCCI-OALUTQOASA-N 1 3 357.542 3.101 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237408477 497232210 /nfs/dbraw/zinc/23/22/10/497232210.db2.gz KNCKFUWNYRYFTD-UTKZUKDTSA-N 1 3 351.494 3.071 20 0 FGADHO NC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000238031319 497330744 /nfs/dbraw/zinc/33/07/44/497330744.db2.gz GRUORNOATDBNMR-JOCHJYFZSA-N 1 3 365.521 3.421 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547382 497338799 /nfs/dbraw/zinc/33/87/99/497338799.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 1 3 357.542 3.228 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547382 497338802 /nfs/dbraw/zinc/33/88/02/497338802.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 1 3 357.542 3.228 20 0 FGADHO Cc1ccc(-c2cccnc2)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000578280305 505903433 /nfs/dbraw/zinc/90/34/33/505903433.db2.gz DYXQPAZLFGKYCN-UHFFFAOYSA-N 1 3 369.513 3.014 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000245428110 497400326 /nfs/dbraw/zinc/40/03/26/497400326.db2.gz IIXLNEVKIQAZAU-NSHGMRRFSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000245428110 497400331 /nfs/dbraw/zinc/40/03/31/497400331.db2.gz IIXLNEVKIQAZAU-NSHGMRRFSA-N 1 3 360.546 3.021 20 0 FGADHO CN(C)[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275727434 497415384 /nfs/dbraw/zinc/41/53/84/497415384.db2.gz WTINMVYRFDIFGB-HXUWFJFHSA-N 1 3 354.498 3.215 20 0 FGADHO CCOc1cc(CNCC2=CC[N@H+](C)CC2)cc(Br)c1OC ZINC000271775134 497445874 /nfs/dbraw/zinc/44/58/74/497445874.db2.gz CIDRLNRIIJHQPQ-UHFFFAOYSA-N 1 3 369.303 3.208 20 0 FGADHO CCOc1cc(CNCC2=CC[N@@H+](C)CC2)cc(Br)c1OC ZINC000271775134 497445878 /nfs/dbraw/zinc/44/58/78/497445878.db2.gz CIDRLNRIIJHQPQ-UHFFFAOYSA-N 1 3 369.303 3.208 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000245584431 497464690 /nfs/dbraw/zinc/46/46/90/497464690.db2.gz ACWXGTISJHWHDG-RXVVDRJESA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245584431 497464695 /nfs/dbraw/zinc/46/46/95/497464695.db2.gz ACWXGTISJHWHDG-RXVVDRJESA-N 1 3 372.557 3.084 20 0 FGADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996043 497488898 /nfs/dbraw/zinc/48/88/98/497488898.db2.gz NSZPHMQOSOBIPE-ROUUACIJSA-N 1 3 371.569 3.453 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000267441528 497553329 /nfs/dbraw/zinc/55/33/29/497553329.db2.gz CJMSDOZIBBWUJZ-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000267441528 497553335 /nfs/dbraw/zinc/55/33/35/497553335.db2.gz CJMSDOZIBBWUJZ-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000245884929 497559870 /nfs/dbraw/zinc/55/98/70/497559870.db2.gz ISBKHUHWDWPVJO-HKUYNNGSSA-N 1 3 357.542 3.054 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614807 497584226 /nfs/dbraw/zinc/58/42/26/497584226.db2.gz CLWKECBCNXJQNM-GHTZIAJQSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1)c1ccccc1 ZINC000262614812 497584251 /nfs/dbraw/zinc/58/42/51/497584251.db2.gz CLWKECBCNXJQNM-RXVVDRJESA-N 1 3 365.521 3.336 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](N)c1ccccc1 ZINC000262627557 497586801 /nfs/dbraw/zinc/58/68/01/497586801.db2.gz COMNDICWKFMTOP-DYESRHJHSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262655709 497592756 /nfs/dbraw/zinc/59/27/56/497592756.db2.gz UFPAQFYMNKXJNE-WDYCEAGBSA-N 1 3 357.523 3.337 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000246050425 497604966 /nfs/dbraw/zinc/60/49/66/497604966.db2.gz PZCQKJDRLFOELN-PZJWPPBQSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000246050425 497604973 /nfs/dbraw/zinc/60/49/73/497604973.db2.gz PZCQKJDRLFOELN-PZJWPPBQSA-N 1 3 360.542 3.403 20 0 FGADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262812476 497627068 /nfs/dbraw/zinc/62/70/68/497627068.db2.gz QJOLBPQMWKEMMW-LJQANCHMSA-N 1 3 367.497 3.046 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000190911676 497643434 /nfs/dbraw/zinc/64/34/34/497643434.db2.gz CQJFIKHUPPNMIQ-UHFFFAOYSA-N 1 3 357.542 3.124 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181301 497650805 /nfs/dbraw/zinc/65/08/05/497650805.db2.gz CFEWUFIQGMMIMZ-NNWRFLSQSA-N 1 3 371.569 3.383 20 0 FGADHO CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262959812 497666098 /nfs/dbraw/zinc/66/60/98/497666098.db2.gz KOVGWZHAKUJVAP-NQIIRXRSSA-N 1 3 357.542 3.450 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961460 497667055 /nfs/dbraw/zinc/66/70/55/497667055.db2.gz KTAZRVHQKVODQK-OAQYLSRUSA-N 1 3 371.569 3.355 20 0 FGADHO C(C[NH+]1CCCC1)OC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190977517 497669647 /nfs/dbraw/zinc/66/96/47/497669647.db2.gz SNXYEKASHISKBY-HXUWFJFHSA-N 1 3 350.547 3.445 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000246274145 497679621 /nfs/dbraw/zinc/67/96/21/497679621.db2.gz JEVRMHAFOLPCCE-ZIFCJYIRSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H](CC[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000194563390 497705346 /nfs/dbraw/zinc/70/53/46/497705346.db2.gz UJIZPONLRNLIBJ-SFHVURJKSA-N 1 3 353.510 3.261 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736564 497716831 /nfs/dbraw/zinc/71/68/31/497716831.db2.gz JURRQJUNMSECQB-AOMKIAJQSA-N 1 3 352.478 3.134 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736564 497716836 /nfs/dbraw/zinc/71/68/36/497716836.db2.gz JURRQJUNMSECQB-AOMKIAJQSA-N 1 3 352.478 3.134 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246542123 497769670 /nfs/dbraw/zinc/76/96/70/497769670.db2.gz ASOILZCKVPQXTP-PWRODBHTSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000246542123 497769673 /nfs/dbraw/zinc/76/96/73/497769673.db2.gz ASOILZCKVPQXTP-PWRODBHTSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263223 505928946 /nfs/dbraw/zinc/92/89/46/505928946.db2.gz PRNLOMNKEAJFRX-VQTJNVASSA-N 1 3 358.530 3.080 20 0 FGADHO CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268539376 497776352 /nfs/dbraw/zinc/77/63/52/497776352.db2.gz SHNYHMSWMBGONZ-HXUWFJFHSA-N 1 3 372.557 3.165 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@H]3CC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311393 497892096 /nfs/dbraw/zinc/89/20/96/497892096.db2.gz BLLQXOKITLVMMI-UTKZUKDTSA-N 1 3 369.534 3.440 20 0 FGADHO CN1C(=O)CCc2cc(CNC[C@H]3CC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311393 497892101 /nfs/dbraw/zinc/89/21/01/497892101.db2.gz BLLQXOKITLVMMI-UTKZUKDTSA-N 1 3 369.534 3.440 20 0 FGADHO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000364393870 497935913 /nfs/dbraw/zinc/93/59/13/497935913.db2.gz UQJICVDSPYJDGG-IBGZPJMESA-N 1 3 351.498 3.492 20 0 FGADHO Cc1noc(C2CCC([NH2+]Cc3cccc(OCCN(C)C)c3)CC2)n1 ZINC000292324635 497969684 /nfs/dbraw/zinc/96/96/84/497969684.db2.gz WTWVJMDLRKYBKU-UHFFFAOYSA-N 1 3 358.486 3.134 20 0 FGADHO C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000292411581 498005477 /nfs/dbraw/zinc/00/54/77/498005477.db2.gz UPWZGKIQBIRPBE-OAQYLSRUSA-N 1 3 370.585 3.005 20 0 FGADHO C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000292411581 498005485 /nfs/dbraw/zinc/00/54/85/498005485.db2.gz UPWZGKIQBIRPBE-OAQYLSRUSA-N 1 3 370.585 3.005 20 0 FGADHO CCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000572475868 505977762 /nfs/dbraw/zinc/97/77/62/505977762.db2.gz XMKSKRZKCRUIOV-UHFFFAOYSA-N 1 3 366.571 3.079 20 0 FGADHO O=C(NCCCCCCC[NH+]1CCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289375155 498124813 /nfs/dbraw/zinc/12/48/13/498124813.db2.gz ARYBHRGCCYWBDB-WOJBJXKFSA-N 1 3 372.509 3.453 20 0 FGADHO C([C@@H]1CCCOC1)N1CCCC2(CCC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611433 505983275 /nfs/dbraw/zinc/98/32/75/505983275.db2.gz DWTMWJGTHLFWTG-AHTKWCMKSA-N 1 3 350.547 3.018 20 0 FGADHO C([C@@H]1CCCOC1)N1CCCC2(CCC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611433 505983277 /nfs/dbraw/zinc/98/32/77/505983277.db2.gz DWTMWJGTHLFWTG-AHTKWCMKSA-N 1 3 350.547 3.018 20 0 FGADHO COc1c(Cl)cc(Cl)cc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000289564160 498195429 /nfs/dbraw/zinc/19/54/29/498195429.db2.gz ZAZRPYZCQKJTHY-UHFFFAOYSA-N 1 3 360.329 3.071 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000281601317 498208663 /nfs/dbraw/zinc/20/86/63/498208663.db2.gz MGACJARNBYCAKU-ZCNNSNEGSA-N 1 3 362.489 3.179 20 0 FGADHO CCc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000301776346 498259115 /nfs/dbraw/zinc/25/91/15/498259115.db2.gz GROXYIAKKIPHEZ-LJQANCHMSA-N 1 3 352.526 3.404 20 0 FGADHO CCc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000301776346 498259118 /nfs/dbraw/zinc/25/91/18/498259118.db2.gz GROXYIAKKIPHEZ-LJQANCHMSA-N 1 3 352.526 3.404 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)nc1 ZINC000289969634 498376331 /nfs/dbraw/zinc/37/63/31/498376331.db2.gz XJFKWRVNLWFSNH-KFWWJZLASA-N 1 3 370.335 3.384 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978538 498379363 /nfs/dbraw/zinc/37/93/63/498379363.db2.gz XSCVIMFWVTXIRP-BQFCYCMXSA-N 1 3 350.503 3.188 20 0 FGADHO CSC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623604 506030087 /nfs/dbraw/zinc/03/00/87/506030087.db2.gz ULQSOZAXIRQAGS-IBGZPJMESA-N 1 3 360.567 3.400 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)cs1 ZINC000282185406 498416094 /nfs/dbraw/zinc/41/60/94/498416094.db2.gz FYBJCODEULOGJG-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO CCc1c2ccccc2oc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578858008 506038276 /nfs/dbraw/zinc/03/82/76/506038276.db2.gz NZZVGFNKEAVMHQ-IQVOZAENSA-N 1 3 369.509 3.293 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953244 506040693 /nfs/dbraw/zinc/04/06/93/506040693.db2.gz MBLZVMJFLDAPMF-YUVXSKOASA-N 1 3 372.553 3.461 20 0 FGADHO CN(Cc1csc(C2CCCC2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362255193 498481857 /nfs/dbraw/zinc/48/18/57/498481857.db2.gz INZLCSCJOCQNGP-IBGZPJMESA-N 1 3 362.587 3.401 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000297528689 498483145 /nfs/dbraw/zinc/48/31/45/498483145.db2.gz WUPRLLKEMMCINJ-UHFFFAOYSA-N 1 3 370.541 3.246 20 0 FGADHO C[C@@H]1C[N@H+](CCCN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793200 498490717 /nfs/dbraw/zinc/49/07/17/498490717.db2.gz UNGPLUMHQOZCCR-OPYAIIAOSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]1C[N@@H+](CCCN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793200 498490722 /nfs/dbraw/zinc/49/07/22/498490722.db2.gz UNGPLUMHQOZCCR-OPYAIIAOSA-N 1 3 364.505 3.384 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581679969 506043028 /nfs/dbraw/zinc/04/30/28/506043028.db2.gz VAECUNIGVMMDGN-FUPPJEDESA-N 1 3 368.496 3.183 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581679969 506043031 /nfs/dbraw/zinc/04/30/31/506043031.db2.gz VAECUNIGVMMDGN-FUPPJEDESA-N 1 3 368.496 3.183 20 0 FGADHO COCCC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448316 498517289 /nfs/dbraw/zinc/51/72/89/498517289.db2.gz UYFDDVOELLLRFR-FXAWDEMLSA-N 1 3 352.494 3.384 20 0 FGADHO COCCC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448316 498517292 /nfs/dbraw/zinc/51/72/92/498517292.db2.gz UYFDDVOELLLRFR-FXAWDEMLSA-N 1 3 352.494 3.384 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703706 498541819 /nfs/dbraw/zinc/54/18/19/498541819.db2.gz RROONGSNKBSZOW-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703706 498541824 /nfs/dbraw/zinc/54/18/24/498541824.db2.gz RROONGSNKBSZOW-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO CC[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921157 506051903 /nfs/dbraw/zinc/05/19/03/506051903.db2.gz LMIBHEJEMUNLNW-WIYYLYMNSA-N 1 3 357.542 3.339 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC000569940457 506052623 /nfs/dbraw/zinc/05/26/23/506052623.db2.gz ZIRTVZPIDBZVOG-OAQYLSRUSA-N 1 3 373.516 3.126 20 0 FGADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000290451615 498558655 /nfs/dbraw/zinc/55/86/55/498558655.db2.gz SXBKORHNVUBPJW-VQTJNVASSA-N 1 3 370.493 3.062 20 0 FGADHO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cn2)n1 ZINC000294160424 498607038 /nfs/dbraw/zinc/60/70/38/498607038.db2.gz IKLXHOLFVVXBBX-UHFFFAOYSA-N 1 3 362.481 3.038 20 0 FGADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000290599450 498614008 /nfs/dbraw/zinc/61/40/08/498614008.db2.gz VWGWVVQKRMKGPX-IBGZPJMESA-N 1 3 352.482 3.433 20 0 FGADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000290599450 498614016 /nfs/dbraw/zinc/61/40/16/498614016.db2.gz VWGWVVQKRMKGPX-IBGZPJMESA-N 1 3 352.482 3.433 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCCN1 ZINC000572832629 506063098 /nfs/dbraw/zinc/06/30/98/506063098.db2.gz RJEKQFCLAVPOPH-LAUBAEHRSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@H]1CCCC[NH2+]1 ZINC000572832629 506063103 /nfs/dbraw/zinc/06/31/03/506063103.db2.gz RJEKQFCLAVPOPH-LAUBAEHRSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000303517340 498684700 /nfs/dbraw/zinc/68/47/00/498684700.db2.gz YHEKQZDLFMMVSL-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000290831433 498694270 /nfs/dbraw/zinc/69/42/70/498694270.db2.gz XTZNKWGBSRSUTM-OAQYLSRUSA-N 1 3 354.494 3.025 20 0 FGADHO CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000576131945 506084712 /nfs/dbraw/zinc/08/47/12/506084712.db2.gz WKZPYGUCYXRYNF-HXUWFJFHSA-N 1 3 358.530 3.210 20 0 FGADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)n(C)c1C ZINC000312251197 498758742 /nfs/dbraw/zinc/75/87/42/498758742.db2.gz AAILZDHWTQNYMO-IBGZPJMESA-N 1 3 369.509 3.122 20 0 FGADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597024 498761316 /nfs/dbraw/zinc/76/13/16/498761316.db2.gz XRGHWPRUDFDJLI-APWZRJJASA-N 1 3 368.477 3.424 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298443953 498773560 /nfs/dbraw/zinc/77/35/60/498773560.db2.gz NNTZDBGQCYKRQU-QGZVFWFLSA-N 1 3 374.529 3.287 20 0 FGADHO C[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CN1CCCC1 ZINC000320698303 498809545 /nfs/dbraw/zinc/80/95/45/498809545.db2.gz HVJRKOXHELPCKW-ZFWWWQNUSA-N 1 3 361.313 3.055 20 0 FGADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(-c2ccccc2)cc1 ZINC000570201896 506114027 /nfs/dbraw/zinc/11/40/27/506114027.db2.gz MNZMQNDXUALKPX-JOCHJYFZSA-N 1 3 366.505 3.310 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748020 498972997 /nfs/dbraw/zinc/97/29/97/498972997.db2.gz RUAONBQITLRDMH-WMLDXEAASA-N 1 3 356.507 3.144 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000582056891 506123378 /nfs/dbraw/zinc/12/33/78/506123378.db2.gz ZITKQWLEGHGXMM-DZGCQCFKSA-N 1 3 368.319 3.064 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000366736229 499054224 /nfs/dbraw/zinc/05/42/24/499054224.db2.gz FTXWCEFFCIDVIQ-MOPGFXCFSA-N 1 3 356.514 3.177 20 0 FGADHO C[N@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CCN(C2CCOCC2)CC1 ZINC000364142318 499123116 /nfs/dbraw/zinc/12/31/16/499123116.db2.gz KMVRVIJAORSRGG-FQEVSTJZSA-N 1 3 350.547 3.444 20 0 FGADHO C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CCN(C2CCOCC2)CC1 ZINC000364142318 499123117 /nfs/dbraw/zinc/12/31/17/499123117.db2.gz KMVRVIJAORSRGG-FQEVSTJZSA-N 1 3 350.547 3.444 20 0 FGADHO COCCC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(F)cc1 ZINC000367022033 499135206 /nfs/dbraw/zinc/13/52/06/499135206.db2.gz GYTUIQOENKAHMR-FPOVZHCZSA-N 1 3 363.521 3.052 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852759 499139573 /nfs/dbraw/zinc/13/95/73/499139573.db2.gz OMYZBEQLDZHEEJ-LDQXTDLNSA-N 1 3 372.534 3.434 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000369872922 499143096 /nfs/dbraw/zinc/14/30/96/499143096.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000369872922 499143098 /nfs/dbraw/zinc/14/30/98/499143098.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287680 506136688 /nfs/dbraw/zinc/13/66/88/506136688.db2.gz ORYRAGOKTRNTBM-NRFANRHFSA-N 1 3 354.542 3.391 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287680 506136689 /nfs/dbraw/zinc/13/66/89/506136689.db2.gz ORYRAGOKTRNTBM-NRFANRHFSA-N 1 3 354.542 3.391 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300073 499207033 /nfs/dbraw/zinc/20/70/33/499207033.db2.gz HYGAPDSBOFXYBV-ZMSDIMECSA-N 1 3 366.575 3.016 20 0 FGADHO CC(C)COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709521 499246505 /nfs/dbraw/zinc/24/65/05/499246505.db2.gz RMRDSXFOKMTICU-SIKLNZKXSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709521 499246506 /nfs/dbraw/zinc/24/65/06/499246506.db2.gz RMRDSXFOKMTICU-SIKLNZKXSA-N 1 3 359.558 3.179 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242690 499301694 /nfs/dbraw/zinc/30/16/94/499301694.db2.gz HKILLKJBQWLIJE-CTNGQTDRSA-N 1 3 373.516 3.028 20 0 FGADHO CC(C)[NH+]1CCN(CCCN2CCC(C(=O)c3cccs3)CC2)CC1 ZINC000368517793 499303864 /nfs/dbraw/zinc/30/38/64/499303864.db2.gz JKTRQJSENPOJCT-UHFFFAOYSA-N 1 3 363.571 3.059 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)c2ccc(F)cc2C1 ZINC000368630971 499315791 /nfs/dbraw/zinc/31/57/91/499315791.db2.gz HOESACJAZDZKEK-IIBYNOLFSA-N 1 3 361.505 3.331 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000371762622 499362925 /nfs/dbraw/zinc/36/29/25/499362925.db2.gz MMGMBTPDIPGFSP-PKOBYXMFSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000371762622 499362927 /nfs/dbraw/zinc/36/29/27/499362927.db2.gz MMGMBTPDIPGFSP-PKOBYXMFSA-N 1 3 357.523 3.233 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000369269224 499385655 /nfs/dbraw/zinc/38/56/55/499385655.db2.gz VTVJWZDJIBRRMQ-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000369269224 499385656 /nfs/dbraw/zinc/38/56/56/499385656.db2.gz VTVJWZDJIBRRMQ-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515169 499411365 /nfs/dbraw/zinc/41/13/65/499411365.db2.gz HQMUKSDWYZBQPU-AYBZRNKSSA-N 1 3 374.554 3.128 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515169 499411367 /nfs/dbraw/zinc/41/13/67/499411367.db2.gz HQMUKSDWYZBQPU-AYBZRNKSSA-N 1 3 374.554 3.128 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432206 /nfs/dbraw/zinc/43/22/06/499432206.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 1 3 365.525 3.140 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432208 /nfs/dbraw/zinc/43/22/08/499432208.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 1 3 365.525 3.140 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000369766950 499441709 /nfs/dbraw/zinc/44/17/09/499441709.db2.gz PACVCTHEXWMSEQ-RBBKRZOGSA-N 1 3 359.558 3.030 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000373382827 499466635 /nfs/dbraw/zinc/46/66/35/499466635.db2.gz IKRKZTVOUYHIJF-QGZVFWFLSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1nc([C@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000378195376 499489212 /nfs/dbraw/zinc/48/92/12/499489212.db2.gz AWVIXJZUQWYIRH-HNNXBMFYSA-N 1 3 350.576 3.298 20 0 FGADHO C[N@H+](CCN1CCCc2ccccc21)C1CCN(C2CCOCC2)CC1 ZINC000378310604 499500711 /nfs/dbraw/zinc/50/07/11/499500711.db2.gz KCSOEVXZEQPKHJ-UHFFFAOYSA-N 1 3 357.542 3.014 20 0 FGADHO C[N@@H+](CCN1CCCc2ccccc21)C1CCN(C2CCOCC2)CC1 ZINC000378310604 499500713 /nfs/dbraw/zinc/50/07/13/499500713.db2.gz KCSOEVXZEQPKHJ-UHFFFAOYSA-N 1 3 357.542 3.014 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473454 499521385 /nfs/dbraw/zinc/52/13/85/499521385.db2.gz KCTKLFHWZOSPMO-YZGWKJHDSA-N 1 3 357.546 3.078 20 0 FGADHO CC(=O)N1CC[C@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc2C1 ZINC000378499135 499524688 /nfs/dbraw/zinc/52/46/88/499524688.db2.gz RUBGZIMBSQNWDT-QFIPXVFZSA-N 1 3 351.494 3.331 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614915 499537724 /nfs/dbraw/zinc/53/77/24/499537724.db2.gz FQIYGMWCFFYTPK-VAKZPMALSA-N 1 3 359.514 3.185 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614915 499537725 /nfs/dbraw/zinc/53/77/25/499537725.db2.gz FQIYGMWCFFYTPK-VAKZPMALSA-N 1 3 359.514 3.185 20 0 FGADHO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381942243 499545219 /nfs/dbraw/zinc/54/52/19/499545219.db2.gz ZFFSXIMUTSGDCO-QAPCUYQASA-N 1 3 366.431 3.446 20 0 FGADHO C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766715 499546017 /nfs/dbraw/zinc/54/60/17/499546017.db2.gz VYQZYAKNTYFJFW-IPJJNNNSSA-N 1 3 365.521 3.446 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@H]21 ZINC000375854597 499562526 /nfs/dbraw/zinc/56/25/26/499562526.db2.gz UWCZDOFXVNDLDY-PCCBWWKXSA-N 1 3 364.493 3.296 20 0 FGADHO C[C@H](N[C@H]1C[C@@H](CO)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000376956258 499649312 /nfs/dbraw/zinc/64/93/12/499649312.db2.gz FTDBSOZRCYEVIT-ZJBJCVSYSA-N 1 3 354.494 3.499 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000377591740 499707782 /nfs/dbraw/zinc/70/77/82/499707782.db2.gz WBCIEAQCYOFDNO-UHFFFAOYSA-N 1 3 360.546 3.411 20 0 FGADHO CN1c2ccc(C[N@H+](C)C3CCN(c4ccncc4)CC3)cc2CCC1=O ZINC000377705947 499723165 /nfs/dbraw/zinc/72/31/65/499723165.db2.gz SPMQVPGBKKLWJA-UHFFFAOYSA-N 1 3 364.493 3.091 20 0 FGADHO CN1c2ccc(C[N@@H+](C)C3CCN(c4ccncc4)CC3)cc2CCC1=O ZINC000377705947 499723166 /nfs/dbraw/zinc/72/31/66/499723166.db2.gz SPMQVPGBKKLWJA-UHFFFAOYSA-N 1 3 364.493 3.091 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411475898 499745537 /nfs/dbraw/zinc/74/55/37/499745537.db2.gz NTKQHVOOVUIDRE-NRFANRHFSA-N 1 3 361.505 3.247 20 0 FGADHO CC(CCN(C)[C@H](C)c1cnn(C)c1)CC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506519 499748896 /nfs/dbraw/zinc/74/88/96/499748896.db2.gz YIKSTEJRIAUFFM-QZTJIDSGSA-N 1 3 360.550 3.256 20 0 FGADHO CC(CCN(C)[C@H](C)c1cnn(C)c1)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506519 499748898 /nfs/dbraw/zinc/74/88/98/499748898.db2.gz YIKSTEJRIAUFFM-QZTJIDSGSA-N 1 3 360.550 3.256 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000414286102 499774522 /nfs/dbraw/zinc/77/45/22/499774522.db2.gz ITCDLNYRSATSLX-LPHOPBHVSA-N 1 3 360.473 3.193 20 0 FGADHO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414299571 499775503 /nfs/dbraw/zinc/77/55/03/499775503.db2.gz UHINCXIEHQXSPN-IOMROCGXSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299571 499775504 /nfs/dbraw/zinc/77/55/04/499775504.db2.gz UHINCXIEHQXSPN-IOMROCGXSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299571 499775505 /nfs/dbraw/zinc/77/55/05/499775505.db2.gz UHINCXIEHQXSPN-IOMROCGXSA-N 1 3 356.485 3.402 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000576440535 506158887 /nfs/dbraw/zinc/15/88/87/506158887.db2.gz RAIMPKQHXMERSG-MSOLQXFVSA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000576440535 506158891 /nfs/dbraw/zinc/15/88/91/506158891.db2.gz RAIMPKQHXMERSG-MSOLQXFVSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414330284 499778172 /nfs/dbraw/zinc/77/81/72/499778172.db2.gz BMAAMZPZLKGAAX-UZLBHIALSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000576440789 506159350 /nfs/dbraw/zinc/15/93/50/506159350.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000576440789 506159352 /nfs/dbraw/zinc/15/93/52/506159352.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 1 3 374.573 3.065 20 0 FGADHO CSC1(CNCc2cn(-c3cccc(F)c3)nc2C)CC[NH+](C)CC1 ZINC000414449403 499793779 /nfs/dbraw/zinc/79/37/79/499793779.db2.gz CHXAGWHLWBDZSD-UHFFFAOYSA-N 1 3 362.518 3.237 20 0 FGADHO Cc1ccc(F)cc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414557779 499808606 /nfs/dbraw/zinc/80/86/06/499808606.db2.gz QUXINHCWMYJHDY-UHFFFAOYSA-N 1 3 369.484 3.121 20 0 FGADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695498 499821136 /nfs/dbraw/zinc/82/11/36/499821136.db2.gz OXSFXUFVCQRLLH-LEWJYISDSA-N 1 3 359.558 3.307 20 0 FGADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695498 499821138 /nfs/dbraw/zinc/82/11/38/499821138.db2.gz OXSFXUFVCQRLLH-LEWJYISDSA-N 1 3 359.558 3.307 20 0 FGADHO C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC[NH2+]1 ZINC000414762655 499827582 /nfs/dbraw/zinc/82/75/82/499827582.db2.gz WJWFTGBNFGFXCH-KBPBESRZSA-N 1 3 365.905 3.084 20 0 FGADHO COc1c(Br)cccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778556 499830298 /nfs/dbraw/zinc/83/02/98/499830298.db2.gz JBPFWDCOULUABX-KGLIPLIRSA-N 1 3 353.304 3.279 20 0 FGADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801743 499832953 /nfs/dbraw/zinc/83/29/53/499832953.db2.gz MCDGLJXKJHCPNH-RBUKOAKNSA-N 1 3 355.482 3.276 20 0 FGADHO CC(C)c1ccc([C@H]([NH3+])CNC2CCN(Cc3cccnc3)CC2)cc1 ZINC000414820733 499834432 /nfs/dbraw/zinc/83/44/32/499834432.db2.gz AYRLVTGPYSESAD-JOCHJYFZSA-N 1 3 352.526 3.459 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848310 499837451 /nfs/dbraw/zinc/83/74/51/499837451.db2.gz GLNZKTWAAMOYFK-MJBXVCDLSA-N 1 3 353.894 3.043 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950348 499847934 /nfs/dbraw/zinc/84/79/34/499847934.db2.gz OMGRCVYXRRFFON-MBNYWOFBSA-N 1 3 359.392 3.032 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414950348 499847935 /nfs/dbraw/zinc/84/79/35/499847935.db2.gz OMGRCVYXRRFFON-MBNYWOFBSA-N 1 3 359.392 3.032 20 0 FGADHO CC[NH2+][C@H](C)CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414952140 499848355 /nfs/dbraw/zinc/84/83/55/499848355.db2.gz IDGMJNYECXWNTI-CQSZACIVSA-N 1 3 354.336 3.001 20 0 FGADHO CCN[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414952140 499848357 /nfs/dbraw/zinc/84/83/57/499848357.db2.gz IDGMJNYECXWNTI-CQSZACIVSA-N 1 3 354.336 3.001 20 0 FGADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358805 499848575 /nfs/dbraw/zinc/84/85/75/499848575.db2.gz JIIMLTXAUOGPLJ-IPJJNNNSSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358805 499848577 /nfs/dbraw/zinc/84/85/77/499848577.db2.gz JIIMLTXAUOGPLJ-IPJJNNNSSA-N 1 3 369.553 3.475 20 0 FGADHO Cn1cnc2cc(C[NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)ccc21 ZINC000414990685 499852123 /nfs/dbraw/zinc/85/21/23/499852123.db2.gz AKLWQXASBLTFNR-PKOBYXMFSA-N 1 3 352.457 3.195 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000414993100 499852731 /nfs/dbraw/zinc/85/27/31/499852731.db2.gz CDRPUWJYKLNVJT-VXGBXAGGSA-N 1 3 354.285 3.181 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073038 499860963 /nfs/dbraw/zinc/86/09/63/499860963.db2.gz YVVDOQVXHDBIHO-BLLLJJGKSA-N 1 3 368.319 3.273 20 0 FGADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103590 499863833 /nfs/dbraw/zinc/86/38/33/499863833.db2.gz KPKHXLGIEAAXRD-DUXKGJEZSA-N 1 3 363.496 3.440 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415116388 499865625 /nfs/dbraw/zinc/86/56/25/499865625.db2.gz YAKVQEAINUJMDC-SJLPKXTDSA-N 1 3 372.431 3.346 20 0 FGADHO C[C@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133355 499868480 /nfs/dbraw/zinc/86/84/80/499868480.db2.gz VBXYAQQZSQMUOW-ZFWWWQNUSA-N 1 3 352.404 3.308 20 0 FGADHO Brc1cccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000415140861 499869688 /nfs/dbraw/zinc/86/96/88/499869688.db2.gz NUNURQADVQZISJ-KRWDZBQOSA-N 1 3 366.347 3.145 20 0 FGADHO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415304717 499885184 /nfs/dbraw/zinc/88/51/84/499885184.db2.gz GDFRKDHEEFKTIQ-GOSISDBHSA-N 1 3 374.529 3.063 20 0 FGADHO CC1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]CC1 ZINC000415309869 499885328 /nfs/dbraw/zinc/88/53/28/499885328.db2.gz NUPOXJJWTMILJG-UHFFFAOYSA-N 1 3 374.529 3.063 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000582231461 506165036 /nfs/dbraw/zinc/16/50/36/506165036.db2.gz XTWMPOGEZLAGCH-MAODMQOUSA-N 1 3 366.509 3.108 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886437 499924525 /nfs/dbraw/zinc/92/45/25/499924525.db2.gz UXWLBMUGRYFCOJ-MSOLQXFVSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886437 499924526 /nfs/dbraw/zinc/92/45/26/499924526.db2.gz UXWLBMUGRYFCOJ-MSOLQXFVSA-N 1 3 370.541 3.451 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000415930018 499929729 /nfs/dbraw/zinc/92/97/29/499929729.db2.gz ZNHYUUIHQXVVRT-OXJNMPFZSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000415930022 499929760 /nfs/dbraw/zinc/92/97/60/499929760.db2.gz ZNHYUUIHQXVVRT-UZLBHIALSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000415933057 499930114 /nfs/dbraw/zinc/93/01/14/499930114.db2.gz OUJNSYWEGZKECF-GOSISDBHSA-N 1 3 360.889 3.484 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000415933289 499930201 /nfs/dbraw/zinc/93/02/01/499930201.db2.gz PKLKUXPNACMQEE-VQTJNVASSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415943772 499931549 /nfs/dbraw/zinc/93/15/49/499931549.db2.gz MZABMAJTFAVKPJ-DYESRHJHSA-N 1 3 366.509 3.438 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415965963 499934774 /nfs/dbraw/zinc/93/47/74/499934774.db2.gz FWRRAJQQRNGOHS-QGZVFWFLSA-N 1 3 370.419 3.114 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415965963 499934775 /nfs/dbraw/zinc/93/47/75/499934775.db2.gz FWRRAJQQRNGOHS-QGZVFWFLSA-N 1 3 370.419 3.114 20 0 FGADHO [NH3+]Cc1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000415967895 499934943 /nfs/dbraw/zinc/93/49/43/499934943.db2.gz BNMJIUPIHKYJAX-UHFFFAOYSA-N 1 3 366.509 3.318 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000415986795 499937730 /nfs/dbraw/zinc/93/77/30/499937730.db2.gz VRRVUXYHIILJTC-MRXNPFEDSA-N 1 3 367.497 3.148 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416008692 499940453 /nfs/dbraw/zinc/94/04/53/499940453.db2.gz MRBSBYNFQBFKOG-UHFFFAOYSA-N 1 3 352.482 3.453 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417027763 499951339 /nfs/dbraw/zinc/95/13/39/499951339.db2.gz MBKOVXRVRNIWLD-HXUWFJFHSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000417103365 499973499 /nfs/dbraw/zinc/97/34/99/499973499.db2.gz DAQCPBOGDGEBGV-LAUBAEHRSA-N 1 3 366.509 3.170 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429026179 499987268 /nfs/dbraw/zinc/98/72/68/499987268.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 1 3 360.542 3.060 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429026179 499987272 /nfs/dbraw/zinc/98/72/72/499987272.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 1 3 360.542 3.060 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc4c3CCNC4)C2)CC1 ZINC000573342076 506175657 /nfs/dbraw/zinc/17/56/57/506175657.db2.gz MWBKBTIVYLMLNA-GOSISDBHSA-N 1 3 370.541 3.308 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000429509893 500090306 /nfs/dbraw/zinc/09/03/06/500090306.db2.gz KXDMHURFFCHLLT-CQSZACIVSA-N 1 3 351.450 3.444 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000429509892 500090558 /nfs/dbraw/zinc/09/05/58/500090558.db2.gz KXDMHURFFCHLLT-AWEZNQCLSA-N 1 3 351.450 3.444 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1)C1CC1 ZINC000429595091 500110187 /nfs/dbraw/zinc/11/01/87/500110187.db2.gz ZALVGQATVMMRLE-UHFFFAOYSA-N 1 3 355.526 3.275 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000417621242 500127735 /nfs/dbraw/zinc/12/77/35/500127735.db2.gz HBMLVFGKIUQYBN-KZNAEPCWSA-N 1 3 360.546 3.180 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCCC1 ZINC000416832705 500133058 /nfs/dbraw/zinc/13/30/58/500133058.db2.gz UXSAGFCTBDOSDY-IBGZPJMESA-N 1 3 354.498 3.013 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000416834020 500133814 /nfs/dbraw/zinc/13/38/14/500133814.db2.gz CYKNCRHVQSFQOU-BJLQDIEVSA-N 1 3 360.546 3.134 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)N(C)C)cc1 ZINC000416838903 500134363 /nfs/dbraw/zinc/13/43/63/500134363.db2.gz JLFZEMPCPCSDBD-HXUWFJFHSA-N 1 3 372.557 3.027 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000416847222 500136629 /nfs/dbraw/zinc/13/66/29/500136629.db2.gz UYQBVCCFEVPJIW-IIBYNOLFSA-N 1 3 368.525 3.371 20 0 FGADHO NC[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000416879002 500146628 /nfs/dbraw/zinc/14/66/28/500146628.db2.gz WPHXEUPJXWTOIM-HXUWFJFHSA-N 1 3 354.498 3.015 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824550 500160544 /nfs/dbraw/zinc/16/05/44/500160544.db2.gz JHVVXVGSQDZNAA-HZPDHXFCSA-N 1 3 353.938 3.273 20 0 FGADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000421828812 500161094 /nfs/dbraw/zinc/16/10/94/500161094.db2.gz FKCRMMGGJXKTRK-SFHVURJKSA-N 1 3 360.542 3.471 20 0 FGADHO COc1ccc([C@H](NCCN2CCC([NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421829590 500161236 /nfs/dbraw/zinc/16/12/36/500161236.db2.gz IOOSGIIGTWODHM-HXUWFJFHSA-N 1 3 351.510 3.147 20 0 FGADHO COC1([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCCCC1 ZINC000421831117 500161359 /nfs/dbraw/zinc/16/13/59/500161359.db2.gz KYROZRGUGSYZSZ-IBGZPJMESA-N 1 3 351.579 3.264 20 0 FGADHO COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000421867965 500166115 /nfs/dbraw/zinc/16/61/15/500166115.db2.gz PTWBJWRMFCWTPW-ZIBCJSCZSA-N 1 3 358.526 3.071 20 0 FGADHO CCCN(C(=O)NC1CCN(Cc2ccccc2C)CC1)C1CC[NH2+]CC1 ZINC000416981598 500174589 /nfs/dbraw/zinc/17/45/89/500174589.db2.gz VDNMRQDAGUKNCM-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000417827170 500179721 /nfs/dbraw/zinc/17/97/21/500179721.db2.gz CWIYCZHVDJVQBV-MJGOQNOKSA-N 1 3 358.530 3.000 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000416999174 500180284 /nfs/dbraw/zinc/18/02/84/500180284.db2.gz BPZLTXPQXZJJSE-UJJTZGENSA-N 1 3 364.559 3.055 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000573368602 506181177 /nfs/dbraw/zinc/18/11/77/506181177.db2.gz OONCBEQPQFEYSL-PZJWPPBQSA-N 1 3 369.484 3.010 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430132538 500197443 /nfs/dbraw/zinc/19/74/43/500197443.db2.gz CHRDXCWGBCCUQD-NRFANRHFSA-N 1 3 357.542 3.077 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430132538 500197445 /nfs/dbraw/zinc/19/74/45/500197445.db2.gz CHRDXCWGBCCUQD-NRFANRHFSA-N 1 3 357.542 3.077 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000417980048 500208212 /nfs/dbraw/zinc/20/82/12/500208212.db2.gz JSVUUSFWDXNMMP-IAGOWNOFSA-N 1 3 354.498 3.026 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000422186681 500229390 /nfs/dbraw/zinc/22/93/90/500229390.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000422186681 500229393 /nfs/dbraw/zinc/22/93/93/500229393.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418153809 500238225 /nfs/dbraw/zinc/23/82/25/500238225.db2.gz JGQHCTYEAZPXEG-AABGKKOBSA-N 1 3 372.557 3.104 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418198227 500247978 /nfs/dbraw/zinc/24/79/78/500247978.db2.gz UYODJDVQMYCNHB-QMMLZNLJSA-N 1 3 374.573 3.114 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418199547 500248482 /nfs/dbraw/zinc/24/84/82/500248482.db2.gz XBLWUISNRNIRDN-TZIWHRDSSA-N 1 3 374.573 3.258 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418211834 500249727 /nfs/dbraw/zinc/24/97/27/500249727.db2.gz IUXVECJSJYYKFQ-HOJAQTOUSA-N 1 3 360.546 3.059 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)N(CC)CC)cc1 ZINC000418209811 500249755 /nfs/dbraw/zinc/24/97/55/500249755.db2.gz FXBCVFFLNVRLMT-PZJWPPBQSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)N(CC)CC)cc1 ZINC000418218227 500251150 /nfs/dbraw/zinc/25/11/50/500251150.db2.gz QKYFGIZMRXCOSS-DBVUQKKJSA-N 1 3 360.546 3.072 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635303 500264964 /nfs/dbraw/zinc/26/49/64/500264964.db2.gz VACPBGMCFLFGSL-NEPJUHHUSA-N 1 3 358.313 3.230 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000418457116 500279108 /nfs/dbraw/zinc/27/91/08/500279108.db2.gz GNAASDQQRADVKV-SFHVURJKSA-N 1 3 366.509 3.124 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418483102 500282097 /nfs/dbraw/zinc/28/20/97/500282097.db2.gz FLULSWAGKGKPNI-KKSFZXQISA-N 1 3 368.525 3.211 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503848 500285841 /nfs/dbraw/zinc/28/58/41/500285841.db2.gz ZUCJJLGKTPIHPI-LAUBAEHRSA-N 1 3 368.525 3.213 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503848 500285843 /nfs/dbraw/zinc/28/58/43/500285843.db2.gz ZUCJJLGKTPIHPI-LAUBAEHRSA-N 1 3 368.525 3.213 20 0 FGADHO C[N@H+](Cc1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727682 500290986 /nfs/dbraw/zinc/29/09/86/500290986.db2.gz DBUWVZOKMZWEHW-GOTSBHOMSA-N 1 3 371.569 3.308 20 0 FGADHO C[N@@H+](Cc1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727682 500290989 /nfs/dbraw/zinc/29/09/89/500290989.db2.gz DBUWVZOKMZWEHW-GOTSBHOMSA-N 1 3 371.569 3.308 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422731997 500291575 /nfs/dbraw/zinc/29/15/75/500291575.db2.gz MYPFLHYZFFFJBV-GFCCVEGCSA-N 1 3 359.297 3.404 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422731998 500291722 /nfs/dbraw/zinc/29/17/22/500291722.db2.gz MYPFLHYZFFFJBV-LBPRGKRZSA-N 1 3 359.297 3.404 20 0 FGADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422743346 500293363 /nfs/dbraw/zinc/29/33/63/500293363.db2.gz UBPAPGRENJYHNS-MISYRCLQSA-N 1 3 358.526 3.254 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCCC1 ZINC000422742411 500293425 /nfs/dbraw/zinc/29/34/25/500293425.db2.gz GHJOLKHOTOHPKG-IERDGZPVSA-N 1 3 368.525 3.345 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418602960 500295888 /nfs/dbraw/zinc/29/58/88/500295888.db2.gz WFLFQBOSQSKOOQ-UIFIKXQLSA-N 1 3 372.557 3.198 20 0 FGADHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCc2ccccc2C1 ZINC000422807533 500300607 /nfs/dbraw/zinc/30/06/07/500300607.db2.gz MNOXLYJDFRDMIX-IIBYNOLFSA-N 1 3 352.526 3.336 20 0 FGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422813666 500301386 /nfs/dbraw/zinc/30/13/86/500301386.db2.gz YKHHXKGTUWPYFA-LMYCIYFBSA-N 1 3 358.526 3.209 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422815503 500302199 /nfs/dbraw/zinc/30/21/99/500302199.db2.gz XRLRVWBLXMYAQN-YADHBBJMSA-N 1 3 358.574 3.147 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000422824294 500302756 /nfs/dbraw/zinc/30/27/56/500302756.db2.gz NJSCARAJEBXBJG-UKRRQHHQSA-N 1 3 353.894 3.106 20 0 FGADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840518 500304031 /nfs/dbraw/zinc/30/40/31/500304031.db2.gz TVVPSJYUUIVKGU-YTFSRNRJSA-N 1 3 371.569 3.044 20 0 FGADHO COc1ccccc1N1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422838975 500304409 /nfs/dbraw/zinc/30/44/09/500304409.db2.gz PILAVEVWTHJRTG-PXNSSMCTSA-N 1 3 353.510 3.212 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)o1 ZINC000418668272 500304735 /nfs/dbraw/zinc/30/47/35/500304735.db2.gz IDCKSSVUPUMJRT-HXUWFJFHSA-N 1 3 372.513 3.141 20 0 FGADHO C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1(CN2CCOCC2)CCCCC1 ZINC000422845301 500304856 /nfs/dbraw/zinc/30/48/56/500304856.db2.gz BNVSIWYRAKRNJT-PCCBWWKXSA-N 1 3 363.590 3.170 20 0 FGADHO CC1CCC(N2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)CC1 ZINC000418676638 500305922 /nfs/dbraw/zinc/30/59/22/500305922.db2.gz QXXHMYRAKBMWSC-DQVLVPHSSA-N 1 3 372.557 3.373 20 0 FGADHO COc1ccccc1N1CC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422851987 500306019 /nfs/dbraw/zinc/30/60/19/500306019.db2.gz PXUACVKBFNFUKB-SXLOBPIMSA-N 1 3 353.510 3.070 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860843 500306617 /nfs/dbraw/zinc/30/66/17/500306617.db2.gz LXJLWEALCLCDLO-JXFKEZNVSA-N 1 3 355.482 3.343 20 0 FGADHO CCCOc1cc(C)ccc1CN[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422875137 500309043 /nfs/dbraw/zinc/30/90/43/500309043.db2.gz OKFMUMSGRQBNHQ-QGZVFWFLSA-N 1 3 362.514 3.195 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879589 500309535 /nfs/dbraw/zinc/30/95/35/500309535.db2.gz MQJMNAIODBERFK-APHBMKBZSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1cccc(Br)c1 ZINC000422879589 500309537 /nfs/dbraw/zinc/30/95/37/500309537.db2.gz MQJMNAIODBERFK-APHBMKBZSA-N 1 3 355.320 3.069 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890056 500311426 /nfs/dbraw/zinc/31/14/26/500311426.db2.gz HSELBRCDXKBXGB-MAUKXSAKSA-N 1 3 366.347 3.131 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890055 500311538 /nfs/dbraw/zinc/31/15/38/500311538.db2.gz HSELBRCDXKBXGB-CRAIPNDOSA-N 1 3 366.347 3.131 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC4(CC[NH2+]C4)CC3)c2C)cc1 ZINC000430948115 500311797 /nfs/dbraw/zinc/31/17/97/500311797.db2.gz DSBNDRVOQLYLOP-UHFFFAOYSA-N 1 3 368.525 3.132 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418715876 500311953 /nfs/dbraw/zinc/31/19/53/500311953.db2.gz BPOYHTCFPUKGRB-NJYVYQBISA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896987 500313175 /nfs/dbraw/zinc/31/31/75/500313175.db2.gz ZAYUPSOVLOQBNV-KGLIPLIRSA-N 1 3 354.336 3.129 20 0 FGADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903406 500314140 /nfs/dbraw/zinc/31/41/40/500314140.db2.gz OMRMMGSABLHUPM-YJSIEXFISA-N 1 3 371.569 3.308 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422930733 500318609 /nfs/dbraw/zinc/31/86/09/500318609.db2.gz VRVBLBOXWTVMBI-ILZDJORESA-N 1 3 361.530 3.150 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943486 500321300 /nfs/dbraw/zinc/32/13/00/500321300.db2.gz LRQBWOBEULDYNP-IIDMSEBBSA-N 1 3 366.347 3.253 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012964 500322860 /nfs/dbraw/zinc/32/28/60/500322860.db2.gz HGJXARHTXQSIGT-QZTJIDSGSA-N 1 3 369.553 3.207 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000422955034 500323341 /nfs/dbraw/zinc/32/33/41/500323341.db2.gz KMICPTKOVPTRLQ-HIFRSBDPSA-N 1 3 368.319 3.206 20 0 FGADHO COc1cccc(COCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999987 500328918 /nfs/dbraw/zinc/32/89/18/500328918.db2.gz GKLMCESXCCDTMK-RBBKRZOGSA-N 1 3 368.477 3.057 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423047835 500335351 /nfs/dbraw/zinc/33/53/51/500335351.db2.gz HGJIWASLAFQPNA-SUMWQHHRSA-N 1 3 369.431 3.027 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423071580 500338474 /nfs/dbraw/zinc/33/84/74/500338474.db2.gz FQBSSZWCBWMPMZ-ARBPTSGCSA-N 1 3 371.500 3.412 20 0 FGADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423077885 500339007 /nfs/dbraw/zinc/33/90/07/500339007.db2.gz NDCDVHCUXWCOIT-XHSDSOJGSA-N 1 3 357.420 3.380 20 0 FGADHO C[C@H](CCC[NH3+])NCc1ccc(Cl)cc1I ZINC000423079475 500339155 /nfs/dbraw/zinc/33/91/55/500339155.db2.gz AERJRPWYRRLRQC-SECBINFHSA-N 1 3 352.647 3.162 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088071 500340660 /nfs/dbraw/zinc/34/06/60/500340660.db2.gz PJJWESIHSBROFK-YSVLISHTSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088071 500340662 /nfs/dbraw/zinc/34/06/62/500340662.db2.gz PJJWESIHSBROFK-YSVLISHTSA-N 1 3 352.320 3.135 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093047 500341314 /nfs/dbraw/zinc/34/13/14/500341314.db2.gz FNBCYGZJFSTGPE-MXJLERKLSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093047 500341317 /nfs/dbraw/zinc/34/13/17/500341317.db2.gz FNBCYGZJFSTGPE-MXJLERKLSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000423121329 500345374 /nfs/dbraw/zinc/34/53/74/500345374.db2.gz AUOJZCIWCMSVCD-YAUSHBINSA-N 1 3 358.457 3.292 20 0 FGADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423192193 500353415 /nfs/dbraw/zinc/35/34/15/500353415.db2.gz UQXVKOHZBNXOQL-HNNXBMFYSA-N 1 3 352.482 3.142 20 0 FGADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH2+]CC1 ZINC000423193060 500353963 /nfs/dbraw/zinc/35/39/63/500353963.db2.gz WJQIIKYBMXDZMI-JTQLQIEISA-N 1 3 363.811 3.418 20 0 FGADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CCNCC1 ZINC000423193060 500353965 /nfs/dbraw/zinc/35/39/65/500353965.db2.gz WJQIIKYBMXDZMI-JTQLQIEISA-N 1 3 363.811 3.418 20 0 FGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193216 500354076 /nfs/dbraw/zinc/35/40/76/500354076.db2.gz VLMKVXATEDYOBK-ZIAGYGMSSA-N 1 3 354.336 3.129 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000423316200 500363036 /nfs/dbraw/zinc/36/30/36/500363036.db2.gz ASAGLRISZCLTKD-UTKZUKDTSA-N 1 3 351.494 3.443 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1 ZINC000423314757 500363406 /nfs/dbraw/zinc/36/34/06/500363406.db2.gz HQUQHNNINPCIRQ-LJQANCHMSA-N 1 3 355.482 3.292 20 0 FGADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ccccc1I ZINC000423343847 500365983 /nfs/dbraw/zinc/36/59/83/500365983.db2.gz XIYIDJLXVFCSMI-LBPRGKRZSA-N 1 3 358.267 3.332 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372183 500368014 /nfs/dbraw/zinc/36/80/14/500368014.db2.gz AWZOMQFEGOCDSP-KDOFPFPSSA-N 1 3 351.416 3.327 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387644 500369674 /nfs/dbraw/zinc/36/96/74/500369674.db2.gz SSKABVRWLWIXHG-XGHQBKJUSA-N 1 3 351.494 3.489 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000423393884 500370458 /nfs/dbraw/zinc/37/04/58/500370458.db2.gz RMZQMHYCMJYGSL-FZMZJTMJSA-N 1 3 369.353 3.192 20 0 FGADHO COCC1(CN[C@@H]2CCc3c2c(Br)ccc3F)CC[NH2+]CC1 ZINC000423406173 500370946 /nfs/dbraw/zinc/37/09/46/500370946.db2.gz KEJOWMABXCFFNL-OAHLLOKOSA-N 1 3 371.294 3.181 20 0 FGADHO Cc1c([C@@H](C)N[C@H](C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423455307 500375986 /nfs/dbraw/zinc/37/59/86/500375986.db2.gz MJLZLNXCZXIMLT-VXGBXAGGSA-N 1 3 366.307 3.116 20 0 FGADHO [NH3+]C1(CN[C@H](c2cncc(F)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000423564056 500384744 /nfs/dbraw/zinc/38/47/44/500384744.db2.gz KXGSEANFGNVWPU-NRFANRHFSA-N 1 3 368.500 3.255 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406816 /nfs/dbraw/zinc/40/68/16/500406816.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406819 /nfs/dbraw/zinc/40/68/19/500406819.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 1 3 372.557 3.165 20 0 FGADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914462 500418926 /nfs/dbraw/zinc/41/89/26/500418926.db2.gz XXGGPQXHVAPLRY-VQTJNVASSA-N 1 3 355.526 3.161 20 0 FGADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914462 500418928 /nfs/dbraw/zinc/41/89/28/500418928.db2.gz XXGGPQXHVAPLRY-VQTJNVASSA-N 1 3 355.526 3.161 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000431795793 500426176 /nfs/dbraw/zinc/42/61/76/500426176.db2.gz HVLUWDVNOBTQPQ-LEWJYISDSA-N 1 3 374.573 3.448 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296763 500435836 /nfs/dbraw/zinc/43/58/36/500435836.db2.gz DTZDRWFBVBKCFO-XMSQKQJNSA-N 1 3 365.521 3.424 20 0 FGADHO CC(C)(C)c1ccc(OCCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325031 500441853 /nfs/dbraw/zinc/44/18/53/500441853.db2.gz HWQGGXGLBGJGID-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420325031 500441855 /nfs/dbraw/zinc/44/18/55/500441855.db2.gz HWQGGXGLBGJGID-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420325031 500441859 /nfs/dbraw/zinc/44/18/59/500441859.db2.gz HWQGGXGLBGJGID-LJQANCHMSA-N 1 3 360.542 3.440 20 0 FGADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335005 500444059 /nfs/dbraw/zinc/44/40/59/500444059.db2.gz HAMYLCNKWNJHDH-RTWAWAEBSA-N 1 3 357.542 3.055 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381888 500451927 /nfs/dbraw/zinc/45/19/27/500451927.db2.gz PFUYLYHLHAPLHC-SJLPKXTDSA-N 1 3 372.431 3.303 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420389023 500453669 /nfs/dbraw/zinc/45/36/69/500453669.db2.gz XSYVFOZQEDZKKH-MSOLQXFVSA-N 1 3 372.431 3.303 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260749 500477047 /nfs/dbraw/zinc/47/70/47/500477047.db2.gz DLYCDCSOYMZGMZ-MRXNPFEDSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288629 500481604 /nfs/dbraw/zinc/48/16/04/500481604.db2.gz KUTHLVIMBUGDRL-MAUKXSAKSA-N 1 3 363.571 3.416 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000424412420 500500053 /nfs/dbraw/zinc/50/00/53/500500053.db2.gz ANNNJOFMTBQIQG-GOSISDBHSA-N 1 3 366.509 3.440 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417942 500513991 /nfs/dbraw/zinc/51/39/91/500513991.db2.gz PILWFOUPBKQGQS-HZPDHXFCSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417942 500513993 /nfs/dbraw/zinc/51/39/93/500513993.db2.gz PILWFOUPBKQGQS-HZPDHXFCSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000573446636 506196334 /nfs/dbraw/zinc/19/63/34/506196334.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000573446636 506196335 /nfs/dbraw/zinc/19/63/35/506196335.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 1 3 369.553 3.420 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000420977061 500545607 /nfs/dbraw/zinc/54/56/07/500545607.db2.gz HPCMIUIMDZOZBZ-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000420977061 500545609 /nfs/dbraw/zinc/54/56/09/500545609.db2.gz HPCMIUIMDZOZBZ-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000420977061 500545611 /nfs/dbraw/zinc/54/56/11/500545611.db2.gz HPCMIUIMDZOZBZ-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccc(F)cc3)CC2)CC1 ZINC000420977379 500546101 /nfs/dbraw/zinc/54/61/01/500546101.db2.gz HXSNQHMKDLPNTF-UHFFFAOYSA-N 1 3 363.521 3.087 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCOc3ccc(F)cc3)CC2)CC1 ZINC000420977379 500546103 /nfs/dbraw/zinc/54/61/03/500546103.db2.gz HXSNQHMKDLPNTF-UHFFFAOYSA-N 1 3 363.521 3.087 20 0 FGADHO [NH3+]C[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637539 506203583 /nfs/dbraw/zinc/20/35/83/506203583.db2.gz KVTBYTBGMADFRM-MRXNPFEDSA-N 1 3 372.431 3.162 20 0 FGADHO NC[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637539 506203587 /nfs/dbraw/zinc/20/35/87/506203587.db2.gz KVTBYTBGMADFRM-MRXNPFEDSA-N 1 3 372.431 3.162 20 0 FGADHO NC[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637539 506203589 /nfs/dbraw/zinc/20/35/89/506203589.db2.gz KVTBYTBGMADFRM-MRXNPFEDSA-N 1 3 372.431 3.162 20 0 FGADHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587289 /nfs/dbraw/zinc/58/72/89/500587289.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 1 3 366.509 3.173 20 0 FGADHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587292 /nfs/dbraw/zinc/58/72/92/500587292.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 1 3 366.509 3.173 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866927 500636525 /nfs/dbraw/zinc/63/65/25/500636525.db2.gz JPFANJZJAZTDKS-INIZCTEOSA-N 1 3 370.463 3.093 20 0 FGADHO CN(c1ccccc1C[NH2+]CC1(CO)CC2(CCC2)C1)C1CCN(C)CC1 ZINC000433202577 500645741 /nfs/dbraw/zinc/64/57/41/500645741.db2.gz RPKOAEBCRWJPSM-UHFFFAOYSA-N 1 3 371.569 3.249 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000573563377 506212412 /nfs/dbraw/zinc/21/24/12/506212412.db2.gz YLXBKBPMBQTGDQ-JOCHJYFZSA-N 1 3 365.521 3.495 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232189 500699195 /nfs/dbraw/zinc/69/91/95/500699195.db2.gz BAKJBCHQSMUBPQ-RDJZCZTQSA-N 1 3 368.591 3.407 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448345470 500750488 /nfs/dbraw/zinc/75/04/88/500750488.db2.gz SUYQNIPOEXWTTH-UHFFFAOYSA-N 1 3 370.541 3.443 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448345470 500750490 /nfs/dbraw/zinc/75/04/90/500750490.db2.gz SUYQNIPOEXWTTH-UHFFFAOYSA-N 1 3 370.541 3.443 20 0 FGADHO Cc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1Cl ZINC000443978899 500786264 /nfs/dbraw/zinc/78/62/64/500786264.db2.gz NIIRSRAWSSIMCZ-UHFFFAOYSA-N 1 3 358.917 3.345 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1)C1CC1 ZINC000434420832 500840546 /nfs/dbraw/zinc/84/05/46/500840546.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 1 3 355.526 3.418 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1)C1CC1 ZINC000434420832 500840548 /nfs/dbraw/zinc/84/05/48/500840548.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 1 3 355.526 3.418 20 0 FGADHO C[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1cc(F)cc(F)c1 ZINC000449106169 500926624 /nfs/dbraw/zinc/92/66/24/500926624.db2.gz HCERKGIYHNYWSU-QGZVFWFLSA-N 1 3 374.479 3.265 20 0 FGADHO CCC1(CNCc2ccnc(OC)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000449214561 500949793 /nfs/dbraw/zinc/94/97/93/500949793.db2.gz LQRCNYBPVRSGRJ-UHFFFAOYSA-N 1 3 354.498 3.267 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449220384 500950978 /nfs/dbraw/zinc/95/09/78/500950978.db2.gz PUCJOWFTWKUCKT-OAHLLOKOSA-N 1 3 374.356 3.378 20 0 FGADHO COc1cc(F)cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000449231722 500953271 /nfs/dbraw/zinc/95/32/71/500953271.db2.gz FSYZQWMBUJGQJQ-FQEVSTJZSA-N 1 3 358.457 3.081 20 0 FGADHO COc1cc(F)cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000449231722 500953274 /nfs/dbraw/zinc/95/32/74/500953274.db2.gz FSYZQWMBUJGQJQ-FQEVSTJZSA-N 1 3 358.457 3.081 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000449237876 500954509 /nfs/dbraw/zinc/95/45/09/500954509.db2.gz PFBKUQBUSWSBMC-YJSIEXFISA-N 1 3 372.553 3.398 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1cccc(F)c1 ZINC000449358705 500986383 /nfs/dbraw/zinc/98/63/83/500986383.db2.gz FZFMBHLJEGMANJ-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1cccc(F)c1 ZINC000449358705 500986388 /nfs/dbraw/zinc/98/63/88/500986388.db2.gz FZFMBHLJEGMANJ-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1cccc(F)c1 ZINC000449358705 500986391 /nfs/dbraw/zinc/98/63/91/500986391.db2.gz FZFMBHLJEGMANJ-YPIGPJMWSA-N 1 3 368.496 3.229 20 0 FGADHO CC[C@@H](C)N1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449631249 501046532 /nfs/dbraw/zinc/04/65/32/501046532.db2.gz ORUPBZZPPCHHRD-LJQANCHMSA-N 1 3 358.574 3.133 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974210 501057139 /nfs/dbraw/zinc/05/71/39/501057139.db2.gz KFDYKBKFKFLZID-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO c1cn(Cc2ccccc2)c(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000436468779 501132139 /nfs/dbraw/zinc/13/21/39/501132139.db2.gz KRYHRJASZYTKQJ-UHFFFAOYSA-N 1 3 361.493 3.128 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446744932 501160341 /nfs/dbraw/zinc/16/03/41/501160341.db2.gz KQHJKELEFXOUOX-JOCHJYFZSA-N 1 3 359.558 3.119 20 0 FGADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000446973229 501188822 /nfs/dbraw/zinc/18/88/22/501188822.db2.gz BZXUSMQHHSOETH-IXDOHACOSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000446973229 501188825 /nfs/dbraw/zinc/18/88/25/501188825.db2.gz BZXUSMQHHSOETH-IXDOHACOSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000446973229 501188828 /nfs/dbraw/zinc/18/88/28/501188828.db2.gz BZXUSMQHHSOETH-IXDOHACOSA-N 1 3 374.422 3.404 20 0 FGADHO OCC[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000450801235 501211285 /nfs/dbraw/zinc/21/12/85/501211285.db2.gz YXCUPDRKLAMNQU-PMACEKPBSA-N 1 3 366.933 3.034 20 0 FGADHO OCC[C@@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000450801235 501211287 /nfs/dbraw/zinc/21/12/87/501211287.db2.gz YXCUPDRKLAMNQU-PMACEKPBSA-N 1 3 366.933 3.034 20 0 FGADHO C(CN1CCCC2(CCC[N@H+](CC[C@@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045986 501241561 /nfs/dbraw/zinc/24/15/61/501241561.db2.gz NKENWYLTOSNAOH-OSBQEZSISA-N 1 3 350.547 3.018 20 0 FGADHO C(CN1CCCC2(CCC[N@@H+](CC[C@@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045986 501241562 /nfs/dbraw/zinc/24/15/62/501241562.db2.gz NKENWYLTOSNAOH-OSBQEZSISA-N 1 3 350.547 3.018 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161152 501282121 /nfs/dbraw/zinc/28/21/21/501282121.db2.gz ISASRDKXRZTTDF-CEXWTWQISA-N 1 3 368.525 3.337 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161152 501282124 /nfs/dbraw/zinc/28/21/24/501282124.db2.gz ISASRDKXRZTTDF-CEXWTWQISA-N 1 3 368.525 3.337 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195346 501288477 /nfs/dbraw/zinc/28/84/77/501288477.db2.gz JNTMFTKKPMCOQG-LMNJBCLMSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195346 501288480 /nfs/dbraw/zinc/28/84/80/501288480.db2.gz JNTMFTKKPMCOQG-LMNJBCLMSA-N 1 3 366.505 3.499 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698596 501289981 /nfs/dbraw/zinc/28/99/81/501289981.db2.gz ZCIGDXYYYFICGH-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698596 501289983 /nfs/dbraw/zinc/28/99/83/501289983.db2.gz ZCIGDXYYYFICGH-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455483351 501315558 /nfs/dbraw/zinc/31/55/58/501315558.db2.gz XLZQXMORLJDNBZ-ZNDGOPKYSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455483351 501315559 /nfs/dbraw/zinc/31/55/59/501315559.db2.gz XLZQXMORLJDNBZ-ZNDGOPKYSA-N 1 3 370.541 3.136 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453399818 501325005 /nfs/dbraw/zinc/32/50/05/501325005.db2.gz LQHFVRXPOBXJMW-BHDDXSALSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453399818 501325006 /nfs/dbraw/zinc/32/50/06/501325006.db2.gz LQHFVRXPOBXJMW-BHDDXSALSA-N 1 3 350.510 3.360 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522835 501465713 /nfs/dbraw/zinc/46/57/13/501465713.db2.gz YKYZSWDDSBZITK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO Cn1cncc1CCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495040 506254841 /nfs/dbraw/zinc/25/48/41/506254841.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495040 506254852 /nfs/dbraw/zinc/25/48/52/506254852.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000582495040 506254864 /nfs/dbraw/zinc/25/48/64/506254864.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000582495040 506254870 /nfs/dbraw/zinc/25/48/70/506254870.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 1 3 352.526 3.339 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCC[N@H+](C)C1CC1)N(C)C ZINC000458759400 501524576 /nfs/dbraw/zinc/52/45/76/501524576.db2.gz GHOYKTJVUDVVIU-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)N(C)C ZINC000458759400 501524580 /nfs/dbraw/zinc/52/45/80/501524580.db2.gz GHOYKTJVUDVVIU-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000458788391 501531939 /nfs/dbraw/zinc/53/19/39/501531939.db2.gz YCBHJNPITLCBCS-BJLQDIEVSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000458788391 501531940 /nfs/dbraw/zinc/53/19/40/501531940.db2.gz YCBHJNPITLCBCS-BJLQDIEVSA-N 1 3 360.546 3.110 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NC(C)(C)CCC[NH+](C)C)CCC1 ZINC000458964721 501566760 /nfs/dbraw/zinc/56/67/60/501566760.db2.gz CUCUZAKQVLKXPB-UHFFFAOYSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981246 501570589 /nfs/dbraw/zinc/57/05/89/501570589.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981246 501570590 /nfs/dbraw/zinc/57/05/90/501570590.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646023 501600322 /nfs/dbraw/zinc/60/03/22/501600322.db2.gz PIZAEXDZFVMQPG-DLBZAZTESA-N 1 3 352.567 3.011 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646023 501600324 /nfs/dbraw/zinc/60/03/24/501600324.db2.gz PIZAEXDZFVMQPG-DLBZAZTESA-N 1 3 352.567 3.011 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459436515 501653312 /nfs/dbraw/zinc/65/33/12/501653312.db2.gz XCVBNULCLQNMSG-KRWDZBQOSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459436515 501653314 /nfs/dbraw/zinc/65/33/14/501653314.db2.gz XCVBNULCLQNMSG-KRWDZBQOSA-N 1 3 374.548 3.245 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000455115699 501690540 /nfs/dbraw/zinc/69/05/40/501690540.db2.gz MPQYPGQSTNKQGR-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000463489133 501740310 /nfs/dbraw/zinc/74/03/10/501740310.db2.gz DOTMERSRVKZCJY-UHFFFAOYSA-N 1 3 372.557 3.062 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460205427 501759825 /nfs/dbraw/zinc/75/98/25/501759825.db2.gz WFCZPLTVHMPRLQ-UHFFFAOYSA-N 1 3 361.530 3.215 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000467344228 501773791 /nfs/dbraw/zinc/77/37/91/501773791.db2.gz AVYXMVPRPOJUAR-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000467369505 501779218 /nfs/dbraw/zinc/77/92/18/501779218.db2.gz ZAABKNLYSOMRBX-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000467369505 501779222 /nfs/dbraw/zinc/77/92/22/501779222.db2.gz ZAABKNLYSOMRBX-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000467369505 501779226 /nfs/dbraw/zinc/77/92/26/501779226.db2.gz ZAABKNLYSOMRBX-MOUTVQLLSA-N 1 3 364.533 3.399 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346832 501797942 /nfs/dbraw/zinc/79/79/42/501797942.db2.gz IARJMTWCGLNALI-OALUTQOASA-N 1 3 371.569 3.429 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000477910799 501827068 /nfs/dbraw/zinc/82/70/68/501827068.db2.gz GFQKQLDZASCEEM-TZIWHRDSSA-N 1 3 359.558 3.160 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520467 501847880 /nfs/dbraw/zinc/84/78/80/501847880.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520467 501847883 /nfs/dbraw/zinc/84/78/83/501847883.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075170 501948965 /nfs/dbraw/zinc/94/89/65/501948965.db2.gz XIYSCVREKOCLOE-BZSNNMDCSA-N 1 3 363.571 3.368 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075170 501948971 /nfs/dbraw/zinc/94/89/71/501948971.db2.gz XIYSCVREKOCLOE-BZSNNMDCSA-N 1 3 363.571 3.368 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000475112910 502064298 /nfs/dbraw/zinc/06/42/98/502064298.db2.gz UMSUEHHVDHZTML-QZTJIDSGSA-N 1 3 364.578 3.346 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791405 502086355 /nfs/dbraw/zinc/08/63/55/502086355.db2.gz DRUHYNZEUUHBLS-AZUAARDMSA-N 1 3 372.557 3.243 20 0 FGADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378074 502087001 /nfs/dbraw/zinc/08/70/01/502087001.db2.gz XALWATNPFPZNDC-HXUWFJFHSA-N 1 3 372.557 3.267 20 0 FGADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378074 502087006 /nfs/dbraw/zinc/08/70/06/502087006.db2.gz XALWATNPFPZNDC-HXUWFJFHSA-N 1 3 372.557 3.267 20 0 FGADHO CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475163175 502087549 /nfs/dbraw/zinc/08/75/49/502087549.db2.gz FWVDKWUCRSLSSJ-UYAOXDASSA-N 1 3 374.573 3.269 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475183033 502092955 /nfs/dbraw/zinc/09/29/55/502092955.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475183033 502092956 /nfs/dbraw/zinc/09/29/56/502092956.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560202 502110855 /nfs/dbraw/zinc/11/08/55/502110855.db2.gz ZTBWQZMULPMCNV-DLBZAZTESA-N 1 3 369.509 3.086 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560202 502110862 /nfs/dbraw/zinc/11/08/62/502110862.db2.gz ZTBWQZMULPMCNV-DLBZAZTESA-N 1 3 369.509 3.086 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000468683545 502144896 /nfs/dbraw/zinc/14/48/96/502144896.db2.gz GOZDNJKOSRUARZ-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000468683544 502145601 /nfs/dbraw/zinc/14/56/01/502145601.db2.gz GOZDNJKOSRUARZ-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N(CC)CC ZINC000468714434 502157003 /nfs/dbraw/zinc/15/70/03/502157003.db2.gz HZHJCCNHXRVPHB-OAQYLSRUSA-N 1 3 357.542 3.156 20 0 FGADHO CC[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N(CC)CC ZINC000468714434 502157005 /nfs/dbraw/zinc/15/70/05/502157005.db2.gz HZHJCCNHXRVPHB-OAQYLSRUSA-N 1 3 357.542 3.156 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000472072553 502219701 /nfs/dbraw/zinc/21/97/01/502219701.db2.gz FIFVAWOVIZMDPE-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482981760 502236092 /nfs/dbraw/zinc/23/60/92/502236092.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482981760 502236098 /nfs/dbraw/zinc/23/60/98/502236098.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 1 3 355.526 3.032 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139918 502245593 /nfs/dbraw/zinc/24/55/93/502245593.db2.gz IYJNOHFNAIKUMG-ROUUACIJSA-N 1 3 371.525 3.163 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479394969 502245740 /nfs/dbraw/zinc/24/57/40/502245740.db2.gz UTIFXVWPRKQQLX-FTEYMNFISA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479394969 502245744 /nfs/dbraw/zinc/24/57/44/502245744.db2.gz UTIFXVWPRKQQLX-FTEYMNFISA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000465553275 502305708 /nfs/dbraw/zinc/30/57/08/502305708.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000465553275 502305712 /nfs/dbraw/zinc/30/57/12/502305712.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 1 3 372.557 3.343 20 0 FGADHO C(=C/c1ccncc1)\C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000486943901 502312270 /nfs/dbraw/zinc/31/22/70/502312270.db2.gz YHBZGIDTZRVLJZ-VOTSOKGWSA-N 1 3 350.510 3.287 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCCCN3C)CC2)C[C@@H](C)O1 ZINC000472566583 502386181 /nfs/dbraw/zinc/38/61/81/502386181.db2.gz CYYUSYMJIPJJJV-SFHLNBCPSA-N 1 3 351.579 3.072 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000465814885 502392790 /nfs/dbraw/zinc/39/27/90/502392790.db2.gz MWAHGCCKIMLPAD-RTWAWAEBSA-N 1 3 372.557 3.258 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC000465923179 502429004 /nfs/dbraw/zinc/42/90/04/502429004.db2.gz SMFIHPDFLIGZRM-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580852 502436422 /nfs/dbraw/zinc/43/64/22/502436422.db2.gz HYJDZQXELXHYAT-MXNKGDRCSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580852 502436425 /nfs/dbraw/zinc/43/64/25/502436425.db2.gz HYJDZQXELXHYAT-MXNKGDRCSA-N 1 3 369.553 3.372 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005173 502451646 /nfs/dbraw/zinc/45/16/46/502451646.db2.gz UILKRCCCKYBVAU-IEBWSBKVSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005173 502451654 /nfs/dbraw/zinc/45/16/54/502451654.db2.gz UILKRCCCKYBVAU-IEBWSBKVSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494610 /nfs/dbraw/zinc/49/46/10/502494610.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494615 /nfs/dbraw/zinc/49/46/15/502494615.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242321 502514109 /nfs/dbraw/zinc/51/41/09/502514109.db2.gz URQNKFVPIZIUKM-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396948 502557716 /nfs/dbraw/zinc/55/77/16/502557716.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396948 502557720 /nfs/dbraw/zinc/55/77/20/502557720.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000480419342 502564665 /nfs/dbraw/zinc/56/46/65/502564665.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 1 3 374.569 3.448 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000480419342 502564668 /nfs/dbraw/zinc/56/46/68/502564668.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 1 3 374.569 3.448 20 0 FGADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484129084 502576578 /nfs/dbraw/zinc/57/65/78/502576578.db2.gz KRUSKVBNXBWAJC-QGZVFWFLSA-N 1 3 354.494 3.470 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCc3c(O)cccc32)(N2CCCCC2)CC1 ZINC000462816703 502585842 /nfs/dbraw/zinc/58/58/42/502585842.db2.gz RNTPMJLJTKQELL-HXUWFJFHSA-N 1 3 357.542 3.310 20 0 FGADHO O[C@H]1CCN(Cc2cccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605571 /nfs/dbraw/zinc/60/55/71/502605571.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 1 3 365.521 3.330 20 0 FGADHO O[C@H]1CCN(Cc2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605576 /nfs/dbraw/zinc/60/55/76/502605576.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 1 3 365.521 3.330 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476886655 502612572 /nfs/dbraw/zinc/61/25/72/502612572.db2.gz XYCLJBKALBEZOH-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000473510736 502616809 /nfs/dbraw/zinc/61/68/09/502616809.db2.gz XUQSNQDMBYRUPT-UHFFFAOYSA-N 1 3 357.542 3.015 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480606221 502617731 /nfs/dbraw/zinc/61/77/31/502617731.db2.gz CRYBZIBTDXFGTA-UNMCSNQZSA-N 1 3 359.558 3.160 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629151 502627585 /nfs/dbraw/zinc/62/75/85/502627585.db2.gz CQUVQGRASXOCIK-GHTZIAJQSA-N 1 3 373.541 3.040 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000484399791 502637988 /nfs/dbraw/zinc/63/79/88/502637988.db2.gz FQGJMIPTOITMFQ-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655554 /nfs/dbraw/zinc/65/55/54/502655554.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655558 /nfs/dbraw/zinc/65/55/58/502655558.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000480778894 502668871 /nfs/dbraw/zinc/66/88/71/502668871.db2.gz LXPRJTBNBFJSQF-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO C[C@H](NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183987 502701603 /nfs/dbraw/zinc/70/16/03/502701603.db2.gz BMUCCOITPPDLEI-FXAWDEMLSA-N 1 3 374.573 3.173 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123583 502702534 /nfs/dbraw/zinc/70/25/34/502702534.db2.gz ORZHRSURMKSGMB-RHSMWYFYSA-N 1 3 359.436 3.327 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000488471223 502724754 /nfs/dbraw/zinc/72/47/54/502724754.db2.gz SRWJMIVCSOZEFM-FQEVSTJZSA-N 1 3 360.546 3.115 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291695 502726819 /nfs/dbraw/zinc/72/68/19/502726819.db2.gz HEMQTXSSBREYJZ-FQEVSTJZSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271123 502741717 /nfs/dbraw/zinc/74/17/17/502741717.db2.gz IOCFWVRHQKWTMA-RXVVDRJESA-N 1 3 372.557 3.119 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762234 /nfs/dbraw/zinc/76/22/34/502762234.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 1 3 370.541 3.090 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762238 /nfs/dbraw/zinc/76/22/38/502762238.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 1 3 370.541 3.090 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762319 /nfs/dbraw/zinc/76/23/19/502762319.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 1 3 370.541 3.090 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762322 /nfs/dbraw/zinc/76/23/22/502762322.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014856 502778950 /nfs/dbraw/zinc/77/89/50/502778950.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014856 502778954 /nfs/dbraw/zinc/77/89/54/502778954.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504912985 502822473 /nfs/dbraw/zinc/82/24/73/502822473.db2.gz ATWVMNPHVQXWCB-OAQYLSRUSA-N 1 3 372.557 3.263 20 0 FGADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488961082 502847782 /nfs/dbraw/zinc/84/77/82/502847782.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488961082 502847787 /nfs/dbraw/zinc/84/77/87/502847787.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000500816109 502869492 /nfs/dbraw/zinc/86/94/92/502869492.db2.gz WWPBHHHVMJINHL-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO CN(CCCNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1 ZINC000500818059 502870350 /nfs/dbraw/zinc/87/03/50/502870350.db2.gz NUWZTXNYBQVBLY-UHFFFAOYSA-N 1 3 374.573 3.272 20 0 FGADHO CN(CC(=O)Nc1ccc(F)c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027103 502915028 /nfs/dbraw/zinc/91/50/28/502915028.db2.gz JXVIMLVXHMEIAY-UHFFFAOYSA-N 1 3 374.435 3.147 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000501043679 502920792 /nfs/dbraw/zinc/92/07/92/502920792.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 1 3 352.567 3.205 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000501043679 502920799 /nfs/dbraw/zinc/92/07/99/502920799.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 1 3 352.567 3.205 20 0 FGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000501073518 502928928 /nfs/dbraw/zinc/92/89/28/502928928.db2.gz ADDBJPXPGHQMLJ-NRFANRHFSA-N 1 3 364.493 3.035 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568564 502937042 /nfs/dbraw/zinc/93/70/42/502937042.db2.gz MITDXJXSMNUFNB-XWTMOSNGSA-N 1 3 364.534 3.223 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568564 502937045 /nfs/dbraw/zinc/93/70/45/502937045.db2.gz MITDXJXSMNUFNB-XWTMOSNGSA-N 1 3 364.534 3.223 20 0 FGADHO CCN(CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973539 /nfs/dbraw/zinc/97/35/39/502973539.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973543 /nfs/dbraw/zinc/97/35/43/502973543.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362792 502992974 /nfs/dbraw/zinc/99/29/74/502992974.db2.gz PSRPTZLNLWTXLM-WOJBJXKFSA-N 1 3 360.546 3.099 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835281 502996239 /nfs/dbraw/zinc/99/62/39/502996239.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 1 3 357.542 3.278 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835281 502996244 /nfs/dbraw/zinc/99/62/44/502996244.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000513723846 503010186 /nfs/dbraw/zinc/01/01/86/503010186.db2.gz BCOPUTOSDXDRHL-QFIPXVFZSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490166 503019195 /nfs/dbraw/zinc/01/91/95/503019195.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490166 503019197 /nfs/dbraw/zinc/01/91/97/503019197.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535666 503032183 /nfs/dbraw/zinc/03/21/83/503032183.db2.gz XARAPVSAAMPLCW-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535666 503032186 /nfs/dbraw/zinc/03/21/86/503032186.db2.gz XARAPVSAAMPLCW-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808566 503039739 /nfs/dbraw/zinc/03/97/39/503039739.db2.gz UKRKOWGTFANKBM-HSALFYBXSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821472 503087641 /nfs/dbraw/zinc/08/76/41/503087641.db2.gz FRVIBQGVISHUNP-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197522 503110588 /nfs/dbraw/zinc/11/05/88/503110588.db2.gz ORFSNDJFSIKGQF-QUCCMNQESA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206295 503112372 /nfs/dbraw/zinc/11/23/72/503112372.db2.gz NPMYYGVTBIETJU-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000490195751 503127471 /nfs/dbraw/zinc/12/74/71/503127471.db2.gz CXSKXWNPZSCZTQ-PXNSSMCTSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000490199837 503129009 /nfs/dbraw/zinc/12/90/09/503129009.db2.gz VTPHSPGCPMNXSF-FXAWDEMLSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000502121711 503146493 /nfs/dbraw/zinc/14/64/93/503146493.db2.gz JVDDXPHDLWEGTI-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706368 503255389 /nfs/dbraw/zinc/25/53/89/503255389.db2.gz FTWNWCPKWRHKHX-VXKWHMMOSA-N 1 3 359.558 3.119 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000502843324 503285969 /nfs/dbraw/zinc/28/59/69/503285969.db2.gz MFYLJUIHONPKNY-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000502843324 503285973 /nfs/dbraw/zinc/28/59/73/503285973.db2.gz MFYLJUIHONPKNY-UYAOXDASSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)CC[NH+]1CCC(CNCc2cnnn2Cc2ccccc2)CC1 ZINC000491310060 503295746 /nfs/dbraw/zinc/29/57/46/503295746.db2.gz NMAPJYNXKRVOCN-UHFFFAOYSA-N 1 3 355.530 3.174 20 0 FGADHO N[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1c1ccccc1F ZINC000515233610 503298792 /nfs/dbraw/zinc/29/87/92/503298792.db2.gz VFCDEPPHQIYTKE-IMFGXOCKSA-N 1 3 361.505 3.157 20 0 FGADHO COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 ZINC000507456838 503301680 /nfs/dbraw/zinc/30/16/80/503301680.db2.gz ACZNDDMXBRJIBH-HMXCVIKNSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507456838 503301685 /nfs/dbraw/zinc/30/16/85/503301685.db2.gz ACZNDDMXBRJIBH-HMXCVIKNSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507456838 503301689 /nfs/dbraw/zinc/30/16/89/503301689.db2.gz ACZNDDMXBRJIBH-HMXCVIKNSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000502941980 503311912 /nfs/dbraw/zinc/31/19/12/503311912.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000502941980 503311914 /nfs/dbraw/zinc/31/19/14/503311914.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 1 3 372.557 3.154 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000515310451 503312386 /nfs/dbraw/zinc/31/23/86/503312386.db2.gz RVJXBGIMEAOJKA-UHFFFAOYSA-N 1 3 365.521 3.185 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503033010 503330093 /nfs/dbraw/zinc/33/00/93/503330093.db2.gz NDNYEAXTGPAVCN-MJGOQNOKSA-N 1 3 360.546 3.289 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480693 503347553 /nfs/dbraw/zinc/34/75/53/503347553.db2.gz UFNANGDMONGKON-DLBZAZTESA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480693 503347558 /nfs/dbraw/zinc/34/75/58/503347558.db2.gz UFNANGDMONGKON-DLBZAZTESA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480693 503347562 /nfs/dbraw/zinc/34/75/62/503347562.db2.gz UFNANGDMONGKON-DLBZAZTESA-N 1 3 365.949 3.397 20 0 FGADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000493694971 503440121 /nfs/dbraw/zinc/44/01/21/503440121.db2.gz ZLQGPLYMXKJFNM-WMZHIEFXSA-N 1 3 371.569 3.130 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)Cc1cccc(Cl)c1 ZINC000516175835 503463267 /nfs/dbraw/zinc/46/32/67/503463267.db2.gz VGAVWLWRLDAKFT-FQEVSTJZSA-N 1 3 359.901 3.145 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000512291460 503511658 /nfs/dbraw/zinc/51/16/58/503511658.db2.gz AHRUUFDVNJWKSQ-JOCHJYFZSA-N 1 3 370.585 3.279 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422851 503546221 /nfs/dbraw/zinc/54/62/21/503546221.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422851 503546222 /nfs/dbraw/zinc/54/62/22/503546222.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097411 503552730 /nfs/dbraw/zinc/55/27/30/503552730.db2.gz JKBGGSVRPRZURN-BFWZDYSYSA-N 1 3 364.534 3.128 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]CCCc2cccc(C)n2)CC1 ZINC000512527447 503577369 /nfs/dbraw/zinc/57/73/69/503577369.db2.gz SCJUDUFNKQRWLA-UHFFFAOYSA-N 1 3 352.526 3.254 20 0 FGADHO CC(C)C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCc2cccnc21 ZINC000516770925 503583412 /nfs/dbraw/zinc/58/34/12/503583412.db2.gz UEFLFWCHFFEOMR-FKBYEOEOSA-N 1 3 367.537 3.348 20 0 FGADHO CC(C)C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCc2cccnc21 ZINC000516770925 503583418 /nfs/dbraw/zinc/58/34/18/503583418.db2.gz UEFLFWCHFFEOMR-FKBYEOEOSA-N 1 3 367.537 3.348 20 0 FGADHO CC(C)CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCc2cccnc21 ZINC000516770925 503583422 /nfs/dbraw/zinc/58/34/22/503583422.db2.gz UEFLFWCHFFEOMR-FKBYEOEOSA-N 1 3 367.537 3.348 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578755 503588370 /nfs/dbraw/zinc/58/83/70/503588370.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578755 503588373 /nfs/dbraw/zinc/58/83/73/503588373.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000508899874 503594832 /nfs/dbraw/zinc/59/48/32/503594832.db2.gz WIDLRQIFHLUZKW-LQWHRVPQSA-N 1 3 374.573 3.358 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508924951 503601208 /nfs/dbraw/zinc/60/12/08/503601208.db2.gz QVQXSIBMFBKZRD-FBYGNRARSA-N 1 3 372.557 3.253 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508924951 503601211 /nfs/dbraw/zinc/60/12/11/503601211.db2.gz QVQXSIBMFBKZRD-FBYGNRARSA-N 1 3 372.557 3.253 20 0 FGADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512654075 503604113 /nfs/dbraw/zinc/60/41/13/503604113.db2.gz JCFCNSNEWXKXNJ-BHIFYINESA-N 1 3 369.553 3.279 20 0 FGADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000495062191 503655610 /nfs/dbraw/zinc/65/56/10/503655610.db2.gz ALGPINWFNDYEAG-GOSISDBHSA-N 1 3 363.933 3.199 20 0 FGADHO COC(=O)[C@H]1CC12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000536668376 503670860 /nfs/dbraw/zinc/67/08/60/503670860.db2.gz BCLDHWAJVCQUCB-LJQANCHMSA-N 1 3 358.526 3.420 20 0 FGADHO COC(=O)[C@H]1CC12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000536668376 503670864 /nfs/dbraw/zinc/67/08/64/503670864.db2.gz BCLDHWAJVCQUCB-LJQANCHMSA-N 1 3 358.526 3.420 20 0 FGADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000546224880 503677318 /nfs/dbraw/zinc/67/73/18/503677318.db2.gz SFMUGXLFCSEVLO-PZJWPPBQSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517371921 503728583 /nfs/dbraw/zinc/72/85/83/503728583.db2.gz LNLIMHPXAYNTBW-DAYGRLMNSA-N 1 3 363.933 3.227 20 0 FGADHO c1ccc([C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000540303257 503732827 /nfs/dbraw/zinc/73/28/27/503732827.db2.gz YFCICEVXJYIOLU-QFIPXVFZSA-N 1 3 350.510 3.335 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855921 503742546 /nfs/dbraw/zinc/74/25/46/503742546.db2.gz CHLIEBUOTZTZQB-BRWVUGGUSA-N 1 3 373.541 3.456 20 0 FGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000537095000 503801439 /nfs/dbraw/zinc/80/14/39/503801439.db2.gz GDVLMGHWHGNTNL-MRXNPFEDSA-N 1 3 370.459 3.320 20 0 FGADHO CN(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000540552342 503813963 /nfs/dbraw/zinc/81/39/63/503813963.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 1 3 352.906 3.317 20 0 FGADHO CN(CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000540552342 503813969 /nfs/dbraw/zinc/81/39/69/503813969.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 1 3 352.906 3.317 20 0 FGADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000540594973 503828153 /nfs/dbraw/zinc/82/81/53/503828153.db2.gz RBJCMRUMBATDNH-SFHVURJKSA-N 1 3 373.541 3.036 20 0 FGADHO C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000543712971 503863058 /nfs/dbraw/zinc/86/30/58/503863058.db2.gz HQUZKVPGVHVNLP-LJQANCHMSA-N 1 3 366.509 3.031 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000540747124 503877265 /nfs/dbraw/zinc/87/72/65/503877265.db2.gz FJLDWSSVBHWQOV-YOEHRIQHSA-N 1 3 373.463 3.449 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NCC[NH+](C)C ZINC000540744377 503877673 /nfs/dbraw/zinc/87/76/73/503877673.db2.gz GGRVUFIMURVYAH-PBHICJAKSA-N 1 3 373.463 3.449 20 0 FGADHO C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212949 503879638 /nfs/dbraw/zinc/87/96/38/503879638.db2.gz SCHCBTDVUFXJTE-WTNAPCKOSA-N 1 3 366.461 3.062 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(CC)CC ZINC000543777246 503887537 /nfs/dbraw/zinc/88/75/37/503887537.db2.gz RMXQGTZDVVLEDS-PCCBWWKXSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402358 503974883 /nfs/dbraw/zinc/97/48/83/503974883.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402358 503974886 /nfs/dbraw/zinc/97/48/86/503974886.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)Oc1ccc(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000518623657 504030623 /nfs/dbraw/zinc/03/06/23/504030623.db2.gz QEOHOSGZFJFMNN-UHFFFAOYSA-N 1 3 370.925 3.084 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000530641414 504036542 /nfs/dbraw/zinc/03/65/42/504036542.db2.gz PFMTYJFLHSLRHY-UHFFFAOYSA-N 1 3 371.550 3.079 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000530641340 504036554 /nfs/dbraw/zinc/03/65/54/504036554.db2.gz DGVORCLGRKYUQK-OAHLLOKOSA-N 1 3 373.463 3.151 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)N1CCCC1 ZINC000528016721 504041428 /nfs/dbraw/zinc/04/14/28/504041428.db2.gz UTXADYRAPZVRMQ-NJDAHSKKSA-N 1 3 369.553 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216285 504046495 /nfs/dbraw/zinc/04/64/95/504046495.db2.gz KUZNNNMSWMQICX-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216285 504046499 /nfs/dbraw/zinc/04/64/99/504046499.db2.gz KUZNNNMSWMQICX-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000544303738 504080020 /nfs/dbraw/zinc/08/00/20/504080020.db2.gz SCKOXEDPRNAKGZ-RBUKOAKNSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CCNC(=O)C1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000544334801 504092230 /nfs/dbraw/zinc/09/22/30/504092230.db2.gz WFHDSWCGGAORCJ-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151417 504093433 /nfs/dbraw/zinc/09/34/33/504093433.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 1 3 374.573 3.052 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528151417 504093439 /nfs/dbraw/zinc/09/34/39/504093439.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 1 3 374.573 3.052 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987407 504103574 /nfs/dbraw/zinc/10/35/74/504103574.db2.gz OCLJWGWWIXYNAJ-GXFFZTMASA-N 1 3 351.800 3.062 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987407 504103577 /nfs/dbraw/zinc/10/35/77/504103577.db2.gz OCLJWGWWIXYNAJ-GXFFZTMASA-N 1 3 351.800 3.062 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000541535943 504167857 /nfs/dbraw/zinc/16/78/57/504167857.db2.gz YOGYWEQLKHGWHQ-MOUTVQLLSA-N 1 3 364.533 3.480 20 0 FGADHO CC[C@@H]1CCCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285582 504182896 /nfs/dbraw/zinc/18/28/96/504182896.db2.gz BNWLPQOXRMNPJM-HXUWFJFHSA-N 1 3 357.542 3.151 20 0 FGADHO CC[C@@H]1CCC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285582 504182904 /nfs/dbraw/zinc/18/29/04/504182904.db2.gz BNWLPQOXRMNPJM-HXUWFJFHSA-N 1 3 357.542 3.151 20 0 FGADHO CC[C@@H]1CCC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000519285582 504182911 /nfs/dbraw/zinc/18/29/11/504182911.db2.gz BNWLPQOXRMNPJM-HXUWFJFHSA-N 1 3 357.542 3.151 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000544634770 504199474 /nfs/dbraw/zinc/19/94/74/504199474.db2.gz VFWHHZZMUUIINE-UTKZUKDTSA-N 1 3 374.573 3.223 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519381312 504208003 /nfs/dbraw/zinc/20/80/03/504208003.db2.gz WXWUDGWFLFVUTG-GUDVDZBRSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519381312 504208006 /nfs/dbraw/zinc/20/80/06/504208006.db2.gz WXWUDGWFLFVUTG-GUDVDZBRSA-N 1 3 352.567 3.203 20 0 FGADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000538394174 504233044 /nfs/dbraw/zinc/23/30/44/504233044.db2.gz QALOGUUPVLDUSP-VQTJNVASSA-N 1 3 365.606 3.366 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000528577860 504279482 /nfs/dbraw/zinc/27/94/82/504279482.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 1 3 371.569 3.335 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000528577860 504279486 /nfs/dbraw/zinc/27/94/86/504279486.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 1 3 371.569 3.335 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974452 504299172 /nfs/dbraw/zinc/29/91/72/504299172.db2.gz PKKRFWOKGPWNDH-IBGZPJMESA-N 1 3 363.933 3.250 20 0 FGADHO CC[NH+]1CCC(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000519748681 504326029 /nfs/dbraw/zinc/32/60/29/504326029.db2.gz VSFJSDJPLFQMPZ-UHFFFAOYSA-N 1 3 358.408 3.018 20 0 FGADHO COc1cccc(C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2)c1 ZINC000531701755 504397034 /nfs/dbraw/zinc/39/70/34/504397034.db2.gz PTFZOYFCJSZIAD-IFMALSPDSA-N 1 3 354.494 3.025 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723894 504405235 /nfs/dbraw/zinc/40/52/35/504405235.db2.gz RDYYEUNVSRQPNF-JTNHKYCSSA-N 1 3 364.843 3.484 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723894 504405239 /nfs/dbraw/zinc/40/52/39/504405239.db2.gz RDYYEUNVSRQPNF-JTNHKYCSSA-N 1 3 364.843 3.484 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(CCCO)CC2)CC1 ZINC000520279266 504453185 /nfs/dbraw/zinc/45/31/85/504453185.db2.gz UUNNRLNJYVCRDQ-UHFFFAOYSA-N 1 3 359.558 3.203 20 0 FGADHO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000520365843 504479443 /nfs/dbraw/zinc/47/94/43/504479443.db2.gz RWGAWSNLEDEYOH-HXUWFJFHSA-N 1 3 357.542 3.442 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000531953504 504485787 /nfs/dbraw/zinc/48/57/87/504485787.db2.gz MUFOFJLGHOIDGW-ZVDOUQERSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000531953504 504485789 /nfs/dbraw/zinc/48/57/89/504485789.db2.gz MUFOFJLGHOIDGW-ZVDOUQERSA-N 1 3 359.558 3.164 20 0 FGADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)N(C)C ZINC000539254721 504513892 /nfs/dbraw/zinc/51/38/92/504513892.db2.gz RDFTYSSYFYPQJQ-HKUYNNGSSA-N 1 3 361.530 3.069 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307072 504525337 /nfs/dbraw/zinc/52/53/37/504525337.db2.gz NVZZJYNAJCQIAS-YJBOKZPZSA-N 1 3 351.922 3.169 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533584 /nfs/dbraw/zinc/53/35/84/504533584.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533587 /nfs/dbraw/zinc/53/35/87/504533587.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532217805 504576441 /nfs/dbraw/zinc/57/64/41/504576441.db2.gz JMTGIVSLMODJCX-CHWSQXEVSA-N 1 3 361.408 3.232 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000543066642 504710014 /nfs/dbraw/zinc/71/00/14/504710014.db2.gz IUXJXPLAHBQEKW-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000543066642 504710016 /nfs/dbraw/zinc/71/00/16/504710016.db2.gz IUXJXPLAHBQEKW-UONOGXRCSA-N 1 3 368.319 3.098 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429774 504736229 /nfs/dbraw/zinc/73/62/29/504736229.db2.gz ACCWMIQGPZSWDR-HXUWFJFHSA-N 1 3 373.585 3.486 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429774 504736232 /nfs/dbraw/zinc/73/62/32/504736232.db2.gz ACCWMIQGPZSWDR-HXUWFJFHSA-N 1 3 373.585 3.486 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000553048473 504813161 /nfs/dbraw/zinc/81/31/61/504813161.db2.gz MWQSWYBASSKLBD-FQEVSTJZSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000553048473 504813163 /nfs/dbraw/zinc/81/31/63/504813163.db2.gz MWQSWYBASSKLBD-FQEVSTJZSA-N 1 3 355.526 3.419 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc4ccccc43)CC2)CC1 ZINC000565192350 504822142 /nfs/dbraw/zinc/82/21/42/504822142.db2.gz TZFKIMSPSCCCLP-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO CC(C)[C@]1(CO)CCCN(C[C@@H](C)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859334 /nfs/dbraw/zinc/85/93/34/504859334.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 1 3 368.606 3.084 20 0 FGADHO CC(C)[C@]1(CO)CCCN(C[C@@H](C)C[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859336 /nfs/dbraw/zinc/85/93/36/504859336.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 1 3 368.606 3.084 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](C)CN2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859338 /nfs/dbraw/zinc/85/93/38/504859338.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 1 3 368.606 3.084 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](C)CN2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859344 /nfs/dbraw/zinc/85/93/44/504859344.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 1 3 368.606 3.084 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000549807467 504903190 /nfs/dbraw/zinc/90/31/90/504903190.db2.gz BKSAGJHOCPLKOG-WIYYLYMNSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000549807467 504903193 /nfs/dbraw/zinc/90/31/93/504903193.db2.gz BKSAGJHOCPLKOG-WIYYLYMNSA-N 1 3 373.541 3.213 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750864 504933546 /nfs/dbraw/zinc/93/35/46/504933546.db2.gz XJVAFEFMKHQJCJ-QGZVFWFLSA-N 1 3 353.495 3.302 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750864 504933551 /nfs/dbraw/zinc/93/35/51/504933551.db2.gz XJVAFEFMKHQJCJ-QGZVFWFLSA-N 1 3 353.495 3.302 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553510653 504935843 /nfs/dbraw/zinc/93/58/43/504935843.db2.gz GOEZDKJTDYYLDT-SLYNCCJLSA-N 1 3 373.516 3.123 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CC2CC2)C(C)C)CC1 ZINC000549944182 504941767 /nfs/dbraw/zinc/94/17/67/504941767.db2.gz VQPUYTQQWRPFON-UHFFFAOYSA-N 1 3 357.542 3.196 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654874 504950194 /nfs/dbraw/zinc/95/01/94/504950194.db2.gz NRAQBNHLTVMXGZ-LSWJPFSZSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654874 504950197 /nfs/dbraw/zinc/95/01/97/504950197.db2.gz NRAQBNHLTVMXGZ-LSWJPFSZSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654874 504950200 /nfs/dbraw/zinc/95/02/00/504950200.db2.gz NRAQBNHLTVMXGZ-LSWJPFSZSA-N 1 3 374.569 3.399 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000556870581 505000872 /nfs/dbraw/zinc/00/08/72/505000872.db2.gz GRHGWPKYRNRHIM-YTFSRNRJSA-N 1 3 371.569 3.370 20 0 FGADHO CC[NH2+]CCCNC1CCN(Cc2ccccc2Br)CC1 ZINC000566088036 505076472 /nfs/dbraw/zinc/07/64/72/505076472.db2.gz OVRNGOVSUSQGJY-UHFFFAOYSA-N 1 3 354.336 3.003 20 0 FGADHO CCNCCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000566088036 505076474 /nfs/dbraw/zinc/07/64/74/505076474.db2.gz OVRNGOVSUSQGJY-UHFFFAOYSA-N 1 3 354.336 3.003 20 0 FGADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000560543230 505120952 /nfs/dbraw/zinc/12/09/52/505120952.db2.gz BGQTXQHKKUAKEA-AQNCSGRASA-N 1 3 365.880 3.047 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000566398465 505164195 /nfs/dbraw/zinc/16/41/95/505164195.db2.gz ZKHDNOWHWMKTDD-SJORKVTESA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000566398465 505164198 /nfs/dbraw/zinc/16/41/98/505164198.db2.gz ZKHDNOWHWMKTDD-SJORKVTESA-N 1 3 366.575 3.305 20 0 FGADHO Cc1ncncc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000563548707 505173924 /nfs/dbraw/zinc/17/39/24/505173924.db2.gz KCTIGSMWMMLQCD-GOSISDBHSA-N 1 3 353.514 3.038 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000554443907 505174861 /nfs/dbraw/zinc/17/48/61/505174861.db2.gz VFZZKVABLICDCI-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000551272010 505190042 /nfs/dbraw/zinc/19/00/42/505190042.db2.gz UTQBTDPYXWNXMJ-GOSISDBHSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000551272010 505190045 /nfs/dbraw/zinc/19/00/45/505190045.db2.gz UTQBTDPYXWNXMJ-GOSISDBHSA-N 1 3 370.541 3.051 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554622076 505225547 /nfs/dbraw/zinc/22/55/47/505225547.db2.gz MGMBBUPFTKVYHJ-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676524 505241416 /nfs/dbraw/zinc/24/14/16/505241416.db2.gz RCUWVGWUYDSETP-RTBURBONSA-N 1 3 350.547 3.444 20 0 FGADHO C[C@@H]1CN(CCCCC[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676524 505241419 /nfs/dbraw/zinc/24/14/19/505241419.db2.gz RCUWVGWUYDSETP-RTBURBONSA-N 1 3 350.547 3.444 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000561067568 505243272 /nfs/dbraw/zinc/24/32/72/505243272.db2.gz KZXBWWMTLGABJW-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699021 505285075 /nfs/dbraw/zinc/28/50/75/505285075.db2.gz JJZZANMMRZTRRH-QFIPXVFZSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)Cc1ccncc1 ZINC000564005198 505299831 /nfs/dbraw/zinc/29/98/31/505299831.db2.gz FVJSPZITPONWGX-NRFANRHFSA-N 1 3 372.557 3.159 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)Cc1ccncc1 ZINC000564005198 505299833 /nfs/dbraw/zinc/29/98/33/505299833.db2.gz FVJSPZITPONWGX-NRFANRHFSA-N 1 3 372.557 3.159 20 0 FGADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282981 505304358 /nfs/dbraw/zinc/30/43/58/505304358.db2.gz LFDPLERPCYMFDW-REWPJTCUSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282981 505304363 /nfs/dbraw/zinc/30/43/63/505304363.db2.gz LFDPLERPCYMFDW-REWPJTCUSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000561395221 505335125 /nfs/dbraw/zinc/33/51/25/505335125.db2.gz JXOFVYDJQADPJZ-QGZVFWFLSA-N 1 3 352.592 3.190 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261240 505346781 /nfs/dbraw/zinc/34/67/81/505346781.db2.gz ZXKDLZBJKFIGDY-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261240 505346783 /nfs/dbraw/zinc/34/67/83/505346783.db2.gz ZXKDLZBJKFIGDY-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC(F)F)c1 ZINC000564319316 505382653 /nfs/dbraw/zinc/38/26/53/505382653.db2.gz HTZFSPLVOSSPPK-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC(F)F)c1 ZINC000564319316 505382654 /nfs/dbraw/zinc/38/26/54/505382654.db2.gz HTZFSPLVOSSPPK-KRWDZBQOSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)cc2cccnc21 ZINC000564319636 505383012 /nfs/dbraw/zinc/38/30/12/505383012.db2.gz LNALLPCHBDNRPX-HXUWFJFHSA-N 1 3 358.505 3.222 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)cc2cccnc21 ZINC000564319636 505383016 /nfs/dbraw/zinc/38/30/16/505383016.db2.gz LNALLPCHBDNRPX-HXUWFJFHSA-N 1 3 358.505 3.222 20 0 FGADHO Cc1nc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[nH]c1C ZINC000567180432 505386982 /nfs/dbraw/zinc/38/69/82/505386982.db2.gz JFPGROKNZBYJAR-CALCHBBNSA-N 1 3 370.541 3.325 20 0 FGADHO Cc1nc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)[nH]c1C ZINC000567180432 505386987 /nfs/dbraw/zinc/38/69/87/505386987.db2.gz JFPGROKNZBYJAR-CALCHBBNSA-N 1 3 370.541 3.325 20 0 FGADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000552065578 505388154 /nfs/dbraw/zinc/38/81/54/505388154.db2.gz FXGXCSFLLRWHOF-CBPXPLCBSA-N 1 3 364.537 3.478 20 0 FGADHO CCc1[nH+]c2ccccc2c(N2CC[C@@H](N3CCN(CC)CC3)C2)c1C ZINC000558493633 505407636 /nfs/dbraw/zinc/40/76/36/505407636.db2.gz RPGYSBCIRLFRGV-GOSISDBHSA-N 1 3 352.526 3.322 20 0 FGADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552245002 505439995 /nfs/dbraw/zinc/43/99/95/505439995.db2.gz QBDLODSKGPQEED-CBPXPLCBSA-N 1 3 360.542 3.054 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000564552565 505451340 /nfs/dbraw/zinc/45/13/40/505451340.db2.gz VGRSFXWEVQMHAK-YLJYHZDGSA-N 1 3 372.557 3.289 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612492 505474828 /nfs/dbraw/zinc/47/48/28/505474828.db2.gz OWKDPRNEUABSOB-OAQYLSRUSA-N 1 3 351.494 3.100 20 0 FGADHO Clc1ccccc1[C@@H]1CCC[C@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567492570 505479449 /nfs/dbraw/zinc/47/94/49/505479449.db2.gz GBGHYHMGPVFCDU-DOTOQJQBSA-N 1 3 359.905 3.351 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1C(F)(F)F ZINC000561976394 505483378 /nfs/dbraw/zinc/48/33/78/505483378.db2.gz CGMUPCFHTHXKST-UHFFFAOYSA-N 1 3 361.427 3.302 20 0 FGADHO c1cn(-c2ccccc2CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000567646097 505523449 /nfs/dbraw/zinc/52/34/49/505523449.db2.gz TYFJCHPXAYFDTQ-KNQAVFIVSA-N 1 3 360.461 3.218 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564843658 505535826 /nfs/dbraw/zinc/53/58/26/505535826.db2.gz WZPIOZDANAPNHI-IBGZPJMESA-N 1 3 366.427 3.460 20 0 FGADHO CC(C)COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000567794842 505563787 /nfs/dbraw/zinc/56/37/87/505563787.db2.gz MNULDASIEGHEDC-UHFFFAOYSA-N 1 3 359.558 3.181 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123050 506448511 /nfs/dbraw/zinc/44/85/11/506448511.db2.gz BQPBAJITISUOJH-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589506000 506572063 /nfs/dbraw/zinc/57/20/63/506572063.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589506000 506572069 /nfs/dbraw/zinc/57/20/69/506572069.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656141 506651593 /nfs/dbraw/zinc/65/15/93/506651593.db2.gz LDLOTPAVIKWRCN-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CCc1ccc([C@H](C)C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000589947521 506685581 /nfs/dbraw/zinc/68/55/81/506685581.db2.gz KMJHRDQACDBTIE-GHTZIAJQSA-N 1 3 359.558 3.227 20 0 FGADHO CCc1ccc([C@H](C)C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000589947521 506685587 /nfs/dbraw/zinc/68/55/87/506685587.db2.gz KMJHRDQACDBTIE-GHTZIAJQSA-N 1 3 359.558 3.227 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604112932 506718441 /nfs/dbraw/zinc/71/84/41/506718441.db2.gz KEYTVJZGQXBLTN-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO C[NH+]1CCC(CCNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604190664 506744060 /nfs/dbraw/zinc/74/40/60/506744060.db2.gz HOQUZFGSLDGVFH-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO C[N@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193724 506745345 /nfs/dbraw/zinc/74/53/45/506745345.db2.gz LMNHAWXGGIWUJF-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193724 506745352 /nfs/dbraw/zinc/74/53/52/506745352.db2.gz LMNHAWXGGIWUJF-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193725 506745748 /nfs/dbraw/zinc/74/57/48/506745748.db2.gz LMNHAWXGGIWUJF-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193725 506745752 /nfs/dbraw/zinc/74/57/52/506745752.db2.gz LMNHAWXGGIWUJF-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786496 506955649 /nfs/dbraw/zinc/95/56/49/506955649.db2.gz CNIRQQURZQGCMG-GOSISDBHSA-N 1 3 354.922 3.132 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786496 506955656 /nfs/dbraw/zinc/95/56/56/506955656.db2.gz CNIRQQURZQGCMG-GOSISDBHSA-N 1 3 354.922 3.132 20 0 FGADHO C[C@H](CC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)N1CCCCC1 ZINC000600738368 507092250 /nfs/dbraw/zinc/09/22/50/507092250.db2.gz ZLAZMONNJCXZQQ-MPQSDHOMSA-N 1 3 368.562 3.104 20 0 FGADHO C[C@H](CCNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000600738368 507092255 /nfs/dbraw/zinc/09/22/55/507092255.db2.gz ZLAZMONNJCXZQQ-MPQSDHOMSA-N 1 3 368.562 3.104 20 0 FGADHO CC[NH+](CC)CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000591096088 507114176 /nfs/dbraw/zinc/11/41/76/507114176.db2.gz PDNAOEKNLIYFRR-SFHVURJKSA-N 1 3 361.530 3.011 20 0 FGADHO c1nnc([C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000584093993 507147547 /nfs/dbraw/zinc/14/75/47/507147547.db2.gz MTPDVDIQSPTPRZ-FQEVSTJZSA-N 1 3 353.514 3.323 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000605340002 507152950 /nfs/dbraw/zinc/15/29/50/507152950.db2.gz FQTFNEATDPYNQY-IBGZPJMESA-N 1 3 374.529 3.013 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559557 507241917 /nfs/dbraw/zinc/24/19/17/507241917.db2.gz KPLBCFIBXULDJK-LJQANCHMSA-N 1 3 359.514 3.283 20 0 FGADHO CCN(CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256070 /nfs/dbraw/zinc/25/60/70/507256070.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 1 3 373.541 3.154 20 0 FGADHO CCN(CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256076 /nfs/dbraw/zinc/25/60/76/507256076.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 1 3 373.541 3.154 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591579247 507301169 /nfs/dbraw/zinc/30/11/69/507301169.db2.gz GFGMXKAKTIFHQK-VQTJNVASSA-N 1 3 360.546 3.017 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccsc1 ZINC000601243240 507309348 /nfs/dbraw/zinc/30/93/48/507309348.db2.gz SPXPRTYONTYLJL-QZTJIDSGSA-N 1 3 366.575 3.303 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000591618239 507315134 /nfs/dbraw/zinc/31/51/34/507315134.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000591618239 507315142 /nfs/dbraw/zinc/31/51/42/507315142.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000591656131 507324335 /nfs/dbraw/zinc/32/43/35/507324335.db2.gz KTELFVMBLCATCA-YWHRJQNKSA-N 1 3 356.510 3.218 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000584460957 507357955 /nfs/dbraw/zinc/35/79/55/507357955.db2.gz YWTSJORMYJPRQB-NHCUHLMSSA-N 1 3 372.557 3.122 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360890 507374762 /nfs/dbraw/zinc/37/47/62/507374762.db2.gz YLSNMCIZYFPDNO-LUTRRODMSA-N 1 3 357.542 3.355 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360890 507374767 /nfs/dbraw/zinc/37/47/67/507374767.db2.gz YLSNMCIZYFPDNO-LUTRRODMSA-N 1 3 357.542 3.355 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](CC3CC3)C2)CC1 ZINC000584543250 507403004 /nfs/dbraw/zinc/40/30/04/507403004.db2.gz BTHJPLIPDXFAHH-FQEVSTJZSA-N 1 3 369.553 3.198 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670687 507441587 /nfs/dbraw/zinc/44/15/87/507441587.db2.gz LSZDVFLECWJYKW-NPDDRXJXSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670687 507441593 /nfs/dbraw/zinc/44/15/93/507441593.db2.gz LSZDVFLECWJYKW-NPDDRXJXSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670687 507441600 /nfs/dbraw/zinc/44/16/00/507441600.db2.gz LSZDVFLECWJYKW-NPDDRXJXSA-N 1 3 367.537 3.030 20 0 FGADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1ccccc1 ZINC000606619780 507456094 /nfs/dbraw/zinc/45/60/94/507456094.db2.gz QYWWIWDVGYRTNT-NRFANRHFSA-N 1 3 374.573 3.443 20 0 FGADHO CC[C@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000602127395 507601451 /nfs/dbraw/zinc/60/14/51/507601451.db2.gz NBAKWDGGDUOPJC-RTWAWAEBSA-N 1 3 359.558 3.130 20 0 FGADHO CC[C@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000602127395 507601457 /nfs/dbraw/zinc/60/14/57/507601457.db2.gz NBAKWDGGDUOPJC-RTWAWAEBSA-N 1 3 359.558 3.130 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000607167085 507641606 /nfs/dbraw/zinc/64/16/06/507641606.db2.gz LLXVAPZWBCTKCS-UHFFFAOYSA-N 1 3 363.505 3.236 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870885 568396199 /nfs/dbraw/zinc/39/61/99/568396199.db2.gz OUGSNHQYRHYREB-BXXSPATCSA-N 1 3 371.569 3.178 20 0 FGADHO c1sc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826526686 608531576 /nfs/dbraw/zinc/53/15/76/608531576.db2.gz JDLLJDKGMHKAOQ-UHFFFAOYSA-N 1 3 360.531 3.016 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000047883610 695870135 /nfs/dbraw/zinc/87/01/35/695870135.db2.gz WCSZRNBIMOIWQJ-KRWDZBQOSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885014 713613140 /nfs/dbraw/zinc/61/31/40/713613140.db2.gz OKBWXXQWXXOKFG-KZNAEPCWSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885014 713613142 /nfs/dbraw/zinc/61/31/42/713613142.db2.gz OKBWXXQWXXOKFG-KZNAEPCWSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193091 713781832 /nfs/dbraw/zinc/78/18/32/713781832.db2.gz SNXIUBKCEHKKCM-CSNJMZFVSA-N 1 3 351.535 3.237 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750372 714251101 /nfs/dbraw/zinc/25/11/01/714251101.db2.gz LTMHQILIQMEENE-CQSZACIVSA-N 1 3 365.568 3.451 20 0 FGADHO Cc1cc(Br)cn2c(C[N@@H+](C)[C@H]3CCN(C)C[C@H]3C)cnc12 ZINC000577902758 714470449 /nfs/dbraw/zinc/47/04/49/714470449.db2.gz RANYKRAMZVRMHJ-CJNGLKHVSA-N 1 3 365.319 3.177 20 0 FGADHO Cc1cc(Br)cn2c(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)cnc12 ZINC000577902758 714470452 /nfs/dbraw/zinc/47/04/52/714470452.db2.gz RANYKRAMZVRMHJ-CJNGLKHVSA-N 1 3 365.319 3.177 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000617505250 714663140 /nfs/dbraw/zinc/66/31/40/714663140.db2.gz YZYLIWZVIPDATD-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000617505250 714663143 /nfs/dbraw/zinc/66/31/43/714663143.db2.gz YZYLIWZVIPDATD-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461107 718034740 /nfs/dbraw/zinc/03/47/40/718034740.db2.gz TXBRASQPJONGAZ-ZWNOBZJWSA-N 1 3 350.816 3.143 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347618 715315874 /nfs/dbraw/zinc/31/58/74/715315874.db2.gz GAWPEOLFFCIQBC-VQIMIIECSA-N 1 3 365.949 3.176 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624119909 715476571 /nfs/dbraw/zinc/47/65/71/715476571.db2.gz MDPCWBKNHQTFMF-YSTOQKLRSA-N 1 3 363.933 3.008 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624119909 715476576 /nfs/dbraw/zinc/47/65/76/715476576.db2.gz MDPCWBKNHQTFMF-YSTOQKLRSA-N 1 3 363.933 3.008 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000749110987 722716498 /nfs/dbraw/zinc/71/64/98/722716498.db2.gz AWPCKYJWKNUUML-SFHVURJKSA-N 1 3 351.535 3.383 20 0 FGADHO O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)CN1CCCC1 ZINC000629566823 716310117 /nfs/dbraw/zinc/31/01/17/716310117.db2.gz IMSILDOGUUIDTP-GFCCVEGCSA-N 1 3 367.704 3.072 20 0 FGADHO O=c1c(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447989 717448391 /nfs/dbraw/zinc/44/83/91/717448391.db2.gz QBVYOIIPGNDIOL-CQSZACIVSA-N 1 3 367.465 3.307 20 0 FGADHO O=c1c(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447989 717448392 /nfs/dbraw/zinc/44/83/92/717448392.db2.gz QBVYOIIPGNDIOL-CQSZACIVSA-N 1 3 367.465 3.307 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210943 717532244 /nfs/dbraw/zinc/53/22/44/717532244.db2.gz PQEDONOQAMLYFQ-YZGWKJHDSA-N 1 3 360.567 3.399 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(F)F)nc3)CC2)CC1 ZINC000639277636 717539448 /nfs/dbraw/zinc/53/94/48/717539448.db2.gz ZDMWZUQEPHGPQL-UHFFFAOYSA-N 1 3 352.473 3.011 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(F)F)nc3)CC2)CC1 ZINC000639277636 717539453 /nfs/dbraw/zinc/53/94/53/717539453.db2.gz ZDMWZUQEPHGPQL-UHFFFAOYSA-N 1 3 352.473 3.011 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(F)F)nc3)CC2)CC1 ZINC000639277636 717539457 /nfs/dbraw/zinc/53/94/57/717539457.db2.gz ZDMWZUQEPHGPQL-UHFFFAOYSA-N 1 3 352.473 3.011 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000644548810 718121943 /nfs/dbraw/zinc/12/19/43/718121943.db2.gz FAOKJKXKMYPTFO-HNNXBMFYSA-N 1 3 350.812 3.065 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583763 718128417 /nfs/dbraw/zinc/12/84/17/718128417.db2.gz AOMLZLKFMSFORV-HOCLYGCPSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583763 718128418 /nfs/dbraw/zinc/12/84/18/718128418.db2.gz AOMLZLKFMSFORV-HOCLYGCPSA-N 1 3 368.319 3.240 20 0 FGADHO CC[C@]1(NCc2cc(C[NH2+][C@@]3(CC)CCOC3)ccc2F)CCOC1 ZINC000649482966 718519514 /nfs/dbraw/zinc/51/95/14/718519514.db2.gz XMPMPDWAJOCHLE-PMACEKPBSA-N 1 3 350.478 3.143 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708118 718717780 /nfs/dbraw/zinc/71/77/80/718717780.db2.gz TYGVBLVOWZSIQB-BQFCYCMXSA-N 1 3 367.331 3.476 20 0 FGADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723674 718721161 /nfs/dbraw/zinc/72/11/61/718721161.db2.gz RPFFIEOXYNZTKP-BRWVUGGUSA-N 1 3 350.528 3.278 20 0 FGADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655711818 719328495 /nfs/dbraw/zinc/32/84/95/719328495.db2.gz NFASYTMRWUHJMC-ICSRJNTNSA-N 1 3 351.579 3.120 20 0 FGADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Br)CC2)CCCC1 ZINC000656789824 719470917 /nfs/dbraw/zinc/47/09/17/719470917.db2.gz ZXJWYVQWUIOXFV-UHFFFAOYSA-N 1 3 366.347 3.275 20 0 FGADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCC1 ZINC000656789824 719470922 /nfs/dbraw/zinc/47/09/22/719470922.db2.gz ZXJWYVQWUIOXFV-UHFFFAOYSA-N 1 3 366.347 3.275 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092693 /nfs/dbraw/zinc/09/26/93/720092693.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 1 3 366.933 3.196 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092696 /nfs/dbraw/zinc/09/26/96/720092696.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 1 3 366.933 3.196 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094796 /nfs/dbraw/zinc/09/47/96/720094796.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 1 3 356.432 3.027 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094798 /nfs/dbraw/zinc/09/47/98/720094798.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 1 3 356.432 3.027 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2ccccc2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662313112 720414023 /nfs/dbraw/zinc/41/40/23/720414023.db2.gz JKNMRANPWVKVEY-UKRRQHHQSA-N 1 3 355.429 3.066 20 0 FGADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H](c1cccs1)N1CCCC1 ZINC000662347176 720417353 /nfs/dbraw/zinc/41/73/53/720417353.db2.gz CYQNMIAUQGPZKK-ZWKOTPCHSA-N 1 3 355.507 3.236 20 0 FGADHO C[NH2+]CCCC(=O)N1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000663505541 720520608 /nfs/dbraw/zinc/52/06/08/720520608.db2.gz KGUCELRFIXRQHC-UHFFFAOYSA-N 1 3 364.342 3.135 20 0 FGADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876419 721777252 /nfs/dbraw/zinc/77/72/52/721777252.db2.gz WRDXJSAQYHBQAR-QWHCGFSZSA-N 1 3 372.376 3.330 20 0 FGADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000684662255 722351200 /nfs/dbraw/zinc/35/12/00/722351200.db2.gz FKKWASIEHVMEAF-UHFFFAOYSA-N 1 3 365.949 3.246 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000684662255 722351201 /nfs/dbraw/zinc/35/12/01/722351201.db2.gz FKKWASIEHVMEAF-UHFFFAOYSA-N 1 3 365.949 3.246 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725296 /nfs/dbraw/zinc/72/52/96/722725296.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 1 3 368.949 3.441 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725297 /nfs/dbraw/zinc/72/52/97/722725297.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 1 3 368.949 3.441 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@H](C)O1 ZINC000753367951 722895944 /nfs/dbraw/zinc/89/59/44/722895944.db2.gz LAFKZIQXSUUDCK-IYBDPMFKSA-N 1 3 360.527 3.184 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000775031815 723954210 /nfs/dbraw/zinc/95/42/10/723954210.db2.gz TZBSPJQPFIRBIU-ZWKOTPCHSA-N 1 3 367.331 3.225 20 0 FGADHO CC(C)(C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000798953791 723978724 /nfs/dbraw/zinc/97/87/24/723978724.db2.gz LOVAOXDJXMIVRU-FQEVSTJZSA-N 1 3 353.551 3.345 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CN1CCCC1 ZINC000788548704 725072001 /nfs/dbraw/zinc/07/20/01/725072001.db2.gz SIOOGOLXDMAFET-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000809717361 725262200 /nfs/dbraw/zinc/26/22/00/725262200.db2.gz GPIVIHPJELJDSK-DUQPFJRNSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000809717361 725262202 /nfs/dbraw/zinc/26/22/02/725262202.db2.gz GPIVIHPJELJDSK-DUQPFJRNSA-N 1 3 351.535 3.237 20 0 FGADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000810487353 725310392 /nfs/dbraw/zinc/31/03/92/725310392.db2.gz QSBATPCWLALIJZ-UHYCVJNDSA-N 1 3 353.526 3.112 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505150 725370360 /nfs/dbraw/zinc/37/03/60/725370360.db2.gz GVLJOQLCTKBMLR-QFBILLFUSA-N 1 3 369.912 3.271 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505150 725370361 /nfs/dbraw/zinc/37/03/61/725370361.db2.gz GVLJOQLCTKBMLR-QFBILLFUSA-N 1 3 369.912 3.271 20 0 FGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816556544 727175199 /nfs/dbraw/zinc/17/51/99/727175199.db2.gz MGFCCHYDOJQLIL-HNNXBMFYSA-N 1 3 351.535 3.238 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000819277678 727363653 /nfs/dbraw/zinc/36/36/53/727363653.db2.gz FWOOTRUNIHTOAW-MQBCKMQZSA-N 1 3 371.294 3.228 20 0 FGADHO C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000819326628 727367496 /nfs/dbraw/zinc/36/74/96/727367496.db2.gz STQPGXPDHUHKOU-HQSKLWIPSA-N 1 3 356.432 3.475 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384192 729334968 /nfs/dbraw/zinc/33/49/68/729334968.db2.gz ZGKSZFDHZOXSDX-FGTMMUONSA-N 1 3 353.551 3.342 20 0 FGADHO CCCN1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834353106 729795726 /nfs/dbraw/zinc/79/57/26/729795726.db2.gz CCSAYEVNRNFXDW-KRWDZBQOSA-N 1 3 373.310 3.260 20 0 FGADHO CC(C)n1ncc2cc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125727 730588767 /nfs/dbraw/zinc/58/87/67/730588767.db2.gz GIHVWAFHIOGIBK-LSDHHAIUSA-N 1 3 361.921 3.487 20 0 FGADHO C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000849090910 731228078 /nfs/dbraw/zinc/22/80/78/731228078.db2.gz QPLBLXYPMONFNU-CQSZACIVSA-N 1 3 356.436 3.440 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853239150 731686128 /nfs/dbraw/zinc/68/61/28/731686128.db2.gz BHDBEGVTDJWYPK-GVDBMIGSSA-N 1 3 358.473 3.065 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404693 733192409 /nfs/dbraw/zinc/19/24/09/733192409.db2.gz RRRGPTSOUOPTRW-CQSZACIVSA-N 1 3 367.456 3.295 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404628 733192577 /nfs/dbraw/zinc/19/25/77/733192577.db2.gz OKTOGRVZHRIRFU-CQSZACIVSA-N 1 3 367.456 3.296 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)CC(F)F ZINC000865419705 733196135 /nfs/dbraw/zinc/19/61/35/733196135.db2.gz YBICJYNVTBWHKI-CQSZACIVSA-N 1 3 363.493 3.387 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)F ZINC000865419705 733196142 /nfs/dbraw/zinc/19/61/42/733196142.db2.gz YBICJYNVTBWHKI-CQSZACIVSA-N 1 3 363.493 3.387 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866231149 733327098 /nfs/dbraw/zinc/32/70/98/733327098.db2.gz QAROCEPYJURXDP-AWEZNQCLSA-N 1 3 350.894 3.159 20 0 FGADHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1cccc(N2CCCC2=O)c1 ZINC000873211949 735738750 /nfs/dbraw/zinc/73/87/50/735738750.db2.gz UKVGMXRCCBOEIU-CQSZACIVSA-N 1 3 355.507 3.371 20 0 FGADHO FC(F)(F)C(F)(F)OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873283608 735746739 /nfs/dbraw/zinc/74/67/39/735746739.db2.gz XSFOTWYZLMLAMP-JSGCOSHPSA-N 1 3 366.330 3.004 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712230 /nfs/dbraw/zinc/71/22/30/736712230.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712233 /nfs/dbraw/zinc/71/22/33/736712233.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 1 3 351.535 3.050 20 0 FGADHO CC1(N2CCC2)CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880475294 737179046 /nfs/dbraw/zinc/17/90/46/737179046.db2.gz UZKCHFTWQSLDQG-QGZVFWFLSA-N 1 3 356.432 3.169 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000892085612 739962839 /nfs/dbraw/zinc/96/28/39/739962839.db2.gz HHKIALFCWVXYBU-FGTMMUONSA-N 1 3 351.535 3.240 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892460292 740002746 /nfs/dbraw/zinc/00/27/46/740002746.db2.gz MPOGLIITEGADSG-MOPGFXCFSA-N 1 3 350.478 3.252 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C[C@@H]1C(F)(F)F ZINC000892622446 740024094 /nfs/dbraw/zinc/02/40/94/740024094.db2.gz PZZRVGGRVDMLST-QXSJWSMHSA-N 1 3 364.452 3.218 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894456170 742285760 /nfs/dbraw/zinc/28/57/60/742285760.db2.gz MLNPMZGTULGUAL-OALUTQOASA-N 1 3 350.478 3.204 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461846 /nfs/dbraw/zinc/46/18/46/742461846.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461850 /nfs/dbraw/zinc/46/18/50/742461850.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794290 743776526 /nfs/dbraw/zinc/77/65/26/743776526.db2.gz UZRNJQLUUHNFSD-NEPJUHHUSA-N 1 3 363.449 3.005 20 0 FGADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723903 743879432 /nfs/dbraw/zinc/87/94/32/743879432.db2.gz JHJPMVUQYBEGMR-QUCCMNQESA-N 1 3 362.901 3.003 20 0 FGADHO COc1cc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726203 743879516 /nfs/dbraw/zinc/87/95/16/743879516.db2.gz KPSZBMOJHQWYEQ-INIZCTEOSA-N 1 3 350.528 3.008 20 0 FGADHO COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OCCC(C)C ZINC000903955521 743904737 /nfs/dbraw/zinc/90/47/37/743904737.db2.gz UHDRLLCIQMAMLR-MRXNPFEDSA-N 1 3 356.457 3.455 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479970 759495510 /nfs/dbraw/zinc/49/55/10/759495510.db2.gz TVIOIFOAVAGBEW-QZCUMHFISA-N 1 3 364.331 3.146 20 0 FGADHO C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925774401 759534451 /nfs/dbraw/zinc/53/44/51/759534451.db2.gz VEBQZFURCAYWFI-HSALFYBXSA-N 1 3 350.547 3.110 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925809289 759547811 /nfs/dbraw/zinc/54/78/11/759547811.db2.gz PKOAUPLBJZICOS-SFHVURJKSA-N 1 3 356.539 3.024 20 0 FGADHO [NH3+][C@@H]1CC[C@H](CN[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000925881412 759566003 /nfs/dbraw/zinc/56/60/03/759566003.db2.gz AILCQTAYCYCERM-JCURWCKSSA-N 1 3 361.287 3.046 20 0 FGADHO CN(Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CS(C)(=O)=O)CC1 ZINC000926954507 759857704 /nfs/dbraw/zinc/85/77/04/759857704.db2.gz DSZACCDVFZCVMA-UHFFFAOYSA-N 1 3 366.571 3.090 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000971572855 762914993 /nfs/dbraw/zinc/91/49/93/762914993.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000971572855 762914998 /nfs/dbraw/zinc/91/49/98/762914998.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 1 3 363.571 3.128 20 0 FGADHO Cc1cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033170 /nfs/dbraw/zinc/03/31/70/763033170.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 1 3 363.571 3.032 20 0 FGADHO Cc1cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033177 /nfs/dbraw/zinc/03/31/77/763033177.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 1 3 363.571 3.032 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001027416161 766093260 /nfs/dbraw/zinc/09/32/60/766093260.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001027416161 766093271 /nfs/dbraw/zinc/09/32/71/766093271.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CCN(C/C=C/Cl)CC3)C2)CC[N@@H+]1C ZINC001047243194 766632687 /nfs/dbraw/zinc/63/26/87/766632687.db2.gz XLTMUDFBSUNZER-ZYVNMVKGSA-N 1 3 367.965 3.030 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CCN(C/C=C/Cl)CC3)C2)CC[N@H+]1C ZINC001047243194 766632696 /nfs/dbraw/zinc/63/26/96/766632696.db2.gz XLTMUDFBSUNZER-ZYVNMVKGSA-N 1 3 367.965 3.030 20 0 FGADHO C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)CN(C)C ZINC000394584065 499562141 /nfs/dbraw/zinc/56/21/41/499562141.db2.gz VYOHVQBTZIALBA-JTQLQIEISA-N 1 3 364.125 3.499 20 0 FGADHO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713282 503909513 /nfs/dbraw/zinc/90/95/13/503909513.db2.gz RKFYRQUOSQKDBM-JOCHJYFZSA-N 1 3 365.521 3.408 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160957 503694196 /nfs/dbraw/zinc/69/41/96/503694196.db2.gz KJXVNIOJRIIVQE-SSKFGXFMSA-N 1 3 368.525 3.209 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160957 503694204 /nfs/dbraw/zinc/69/42/04/503694204.db2.gz KJXVNIOJRIIVQE-SSKFGXFMSA-N 1 3 368.525 3.209 20 0 FGADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@H]4C)CC3)[C@@H]2C1 ZINC000573599768 505575767 /nfs/dbraw/zinc/57/57/67/505575767.db2.gz JIIGZWFRFDPUSV-RCUFNAHASA-N 1 3 361.574 3.266 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608391 505577533 /nfs/dbraw/zinc/57/75/33/505577533.db2.gz OUDVVAHTTGPXKA-DJIMGWMZSA-N 1 3 364.415 3.450 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000573637235 505583876 /nfs/dbraw/zinc/58/38/76/505583876.db2.gz JWASGZKISBIVAN-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000573637234 505584393 /nfs/dbraw/zinc/58/43/93/505584393.db2.gz JWASGZKISBIVAN-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648836 494107903 /nfs/dbraw/zinc/10/79/03/494107903.db2.gz DXOQNZZFPJXIBM-CHWSQXEVSA-N 1 3 370.278 3.426 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648836 494107905 /nfs/dbraw/zinc/10/79/05/494107905.db2.gz DXOQNZZFPJXIBM-CHWSQXEVSA-N 1 3 370.278 3.426 20 0 FGADHO COC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064528 505645300 /nfs/dbraw/zinc/64/53/00/505645300.db2.gz AFGMJBXDAIUWFR-OAQYLSRUSA-N 1 3 372.553 3.464 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000571146813 505664549 /nfs/dbraw/zinc/66/45/49/505664549.db2.gz NWAIMKDRKQUVIA-UXHICEINSA-N 1 3 354.498 3.103 20 0 FGADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000047972979 493767929 /nfs/dbraw/zinc/76/79/29/493767929.db2.gz UFJXVAWVBQLELT-UHFFFAOYSA-N 1 3 363.933 3.154 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000047978710 493769588 /nfs/dbraw/zinc/76/95/88/493769588.db2.gz PMPPAUCIAALOOL-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000047978710 493769589 /nfs/dbraw/zinc/76/95/89/493769589.db2.gz PMPPAUCIAALOOL-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381580 505680992 /nfs/dbraw/zinc/68/09/92/505680992.db2.gz RANBQLFCHZHKNP-IRXDYDNUSA-N 1 3 362.514 3.446 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331185 493866632 /nfs/dbraw/zinc/86/66/32/493866632.db2.gz IGRYYDOGJFVIII-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331185 493866633 /nfs/dbraw/zinc/86/66/33/493866633.db2.gz IGRYYDOGJFVIII-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331534 493866910 /nfs/dbraw/zinc/86/69/10/493866910.db2.gz RHENUXIKNUIWGV-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331534 493866913 /nfs/dbraw/zinc/86/69/13/493866913.db2.gz RHENUXIKNUIWGV-MRXNPFEDSA-N 1 3 350.482 3.014 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000081364631 493880583 /nfs/dbraw/zinc/88/05/83/493880583.db2.gz USNXBMKDNIGFOW-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000081364631 493880586 /nfs/dbraw/zinc/88/05/86/493880586.db2.gz USNXBMKDNIGFOW-FQEVSTJZSA-N 1 3 357.542 3.089 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000061498750 493980662 /nfs/dbraw/zinc/98/06/62/493980662.db2.gz ICPHLTJFFBNVNG-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000084365186 494066505 /nfs/dbraw/zinc/06/65/05/494066505.db2.gz BXIGJTAKLFFHTP-UHFFFAOYSA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000064226989 494106953 /nfs/dbraw/zinc/10/69/53/494106953.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 1 3 368.525 3.070 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000064226989 494106955 /nfs/dbraw/zinc/10/69/55/494106955.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 1 3 368.525 3.070 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358856 494116550 /nfs/dbraw/zinc/11/65/50/494116550.db2.gz DPZUQMRDMQURSB-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000085388335 494119598 /nfs/dbraw/zinc/11/95/98/494119598.db2.gz WWEYGNBJGSQPCN-FXAWDEMLSA-N 1 3 360.546 3.010 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C(C)C ZINC000072517757 494190954 /nfs/dbraw/zinc/19/09/54/494190954.db2.gz KRWPKJDCYCLNGA-LJQANCHMSA-N 1 3 352.567 3.155 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1CN1CCCCC1)C(C)C ZINC000072517759 494191072 /nfs/dbraw/zinc/19/10/72/494191072.db2.gz KRWPKJDCYCLNGA-IBGZPJMESA-N 1 3 352.567 3.155 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073034065 494310299 /nfs/dbraw/zinc/31/02/99/494310299.db2.gz FWRYYLVHHPJQKZ-PKOBYXMFSA-N 1 3 363.571 3.013 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000056523135 494519863 /nfs/dbraw/zinc/51/98/63/494519863.db2.gz LLPJPYCJTCCADJ-NRFANRHFSA-N 1 3 356.510 3.243 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121268936 494676014 /nfs/dbraw/zinc/67/60/14/494676014.db2.gz KTPLBNZSPPBVPE-LJQANCHMSA-N 1 3 367.537 3.167 20 0 FGADHO CC(C)C[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131658841 494689868 /nfs/dbraw/zinc/68/98/68/494689868.db2.gz PUAPWYFHHVVGIM-HXUWFJFHSA-N 1 3 364.578 3.155 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OCC(F)(F)F ZINC000126466252 494762444 /nfs/dbraw/zinc/76/24/44/494762444.db2.gz ILWBDQYSOUUSAS-UHFFFAOYSA-N 1 3 373.463 3.086 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)C1CCCCC1 ZINC000092820947 494763544 /nfs/dbraw/zinc/76/35/44/494763544.db2.gz RYKFMGKFLNQCDX-UHFFFAOYSA-N 1 3 372.557 3.411 20 0 FGADHO CN(c1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000092047162 494767823 /nfs/dbraw/zinc/76/78/23/494767823.db2.gz BKOCPRWPUFJDGK-QFIPXVFZSA-N 1 3 370.585 3.277 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745848 /nfs/dbraw/zinc/74/58/48/505745848.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 1 3 350.462 3.369 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745851 /nfs/dbraw/zinc/74/58/51/505745851.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 1 3 350.462 3.369 20 0 FGADHO c1[nH]nc(-c2ccccc2)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734976 494914735 /nfs/dbraw/zinc/91/47/35/494914735.db2.gz GGEHKCJQLXLRIX-UHFFFAOYSA-N 1 3 354.498 3.154 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093769455 494918372 /nfs/dbraw/zinc/91/83/72/494918372.db2.gz KDKSDCSRZUPXFQ-UHFFFAOYSA-N 1 3 350.551 3.278 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093769455 494918373 /nfs/dbraw/zinc/91/83/73/494918373.db2.gz KDKSDCSRZUPXFQ-UHFFFAOYSA-N 1 3 350.551 3.278 20 0 FGADHO COc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844305 494926820 /nfs/dbraw/zinc/92/68/20/494926820.db2.gz ANDDLMNJRWJSFQ-IRXDYDNUSA-N 1 3 362.514 3.112 20 0 FGADHO CC(=O)Nc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844301 494926876 /nfs/dbraw/zinc/92/68/76/494926876.db2.gz KQTSMLVWFRCHGS-HDICACEKSA-N 1 3 373.541 3.356 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000122123973 494927378 /nfs/dbraw/zinc/92/73/78/494927378.db2.gz NPUGBZSMXLSZNG-BDTNDASRSA-N 1 3 370.537 3.081 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000132814041 494928138 /nfs/dbraw/zinc/92/81/38/494928138.db2.gz ALJCDUBUZZBTQM-MRXNPFEDSA-N 1 3 368.477 3.223 20 0 FGADHO CC(C)CCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127469023 494949434 /nfs/dbraw/zinc/94/94/34/494949434.db2.gz GGQDTGUTYBOSKO-QGZVFWFLSA-N 1 3 352.567 3.059 20 0 FGADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000122277827 494950704 /nfs/dbraw/zinc/95/07/04/494950704.db2.gz ZNQKEQHFLXTTTF-FXAWDEMLSA-N 1 3 373.541 3.201 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133151566 494977476 /nfs/dbraw/zinc/97/74/76/494977476.db2.gz UFCWFXWJMWTMPV-QGZVFWFLSA-N 1 3 370.463 3.093 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000097257250 495029257 /nfs/dbraw/zinc/02/92/57/495029257.db2.gz YTAXEYMVUVRPSU-KRWDZBQOSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000097257250 495029260 /nfs/dbraw/zinc/02/92/60/495029260.db2.gz YTAXEYMVUVRPSU-KRWDZBQOSA-N 1 3 360.546 3.058 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464516 495077919 /nfs/dbraw/zinc/07/79/19/495077919.db2.gz WNCSRMNGSMFKBK-OAQYLSRUSA-N 1 3 372.557 3.133 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000580440424 505760005 /nfs/dbraw/zinc/76/00/05/505760005.db2.gz WCVRHFBGCFLOIC-OAQYLSRUSA-N 1 3 367.493 3.233 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N2CCCC2)cc1 ZINC000111845623 495119465 /nfs/dbraw/zinc/11/94/65/495119465.db2.gz MDZWABNMNICZSZ-NRFANRHFSA-N 1 3 372.557 3.304 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000111874813 495123948 /nfs/dbraw/zinc/12/39/48/495123948.db2.gz LHLMIZDAIFFPTI-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000119739016 495230513 /nfs/dbraw/zinc/23/05/13/495230513.db2.gz PYOAYPKAEAJAHO-UHFFFAOYSA-N 1 3 370.497 3.436 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000124420885 495284582 /nfs/dbraw/zinc/28/45/82/495284582.db2.gz BWMIRMQHBZBLIQ-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000124420885 495284585 /nfs/dbraw/zinc/28/45/85/495284585.db2.gz BWMIRMQHBZBLIQ-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000124605812 495315624 /nfs/dbraw/zinc/31/56/24/495315624.db2.gz XQCIYXCDLQCFBG-GOYZHWMFSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000124605812 495315629 /nfs/dbraw/zinc/31/56/29/495315629.db2.gz XQCIYXCDLQCFBG-GOYZHWMFSA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000124605812 495315632 /nfs/dbraw/zinc/31/56/32/495315632.db2.gz XQCIYXCDLQCFBG-GOYZHWMFSA-N 1 3 359.558 3.114 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104947496 495317934 /nfs/dbraw/zinc/31/79/34/495317934.db2.gz SBSDIQWTNUWIQF-KRWDZBQOSA-N 1 3 374.447 3.109 20 0 FGADHO C[C@@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000113597890 495319541 /nfs/dbraw/zinc/31/95/41/495319541.db2.gz PHSMMPIDELJDDG-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000113619659 495322329 /nfs/dbraw/zinc/32/23/29/495322329.db2.gz GAJQCNPKTIUNOO-RBUKOAKNSA-N 1 3 372.557 3.291 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000105083443 495335242 /nfs/dbraw/zinc/33/52/42/495335242.db2.gz CJYMSAMDDZAUPQ-CTNGQTDRSA-N 1 3 374.573 3.489 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083443 495335246 /nfs/dbraw/zinc/33/52/46/495335246.db2.gz CJYMSAMDDZAUPQ-CTNGQTDRSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105113373 495337812 /nfs/dbraw/zinc/33/78/12/495337812.db2.gz XXBLQHRSLFDVGH-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000105113373 495337814 /nfs/dbraw/zinc/33/78/14/495337814.db2.gz XXBLQHRSLFDVGH-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCN1CCCCC1 ZINC000135892535 495341413 /nfs/dbraw/zinc/34/14/13/495341413.db2.gz NGTQVOZSXZSOOZ-KNQAVFIVSA-N 1 3 358.574 3.408 20 0 FGADHO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCN1CCCCC1 ZINC000135892535 495341415 /nfs/dbraw/zinc/34/14/15/495341415.db2.gz NGTQVOZSXZSOOZ-KNQAVFIVSA-N 1 3 358.574 3.408 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124797079 495345224 /nfs/dbraw/zinc/34/52/24/495345224.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124797079 495345226 /nfs/dbraw/zinc/34/52/26/495345226.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124797079 495345234 /nfs/dbraw/zinc/34/52/34/495345234.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 1 3 365.537 3.155 20 0 FGADHO CCn1cc([C@H](C)[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000125323121 495426130 /nfs/dbraw/zinc/42/61/30/495426130.db2.gz DKRMWZKEYCBUTP-FQEVSTJZSA-N 1 3 369.557 3.464 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)cc1F ZINC000125874731 495511516 /nfs/dbraw/zinc/51/15/16/495511516.db2.gz KUWYTSIRESSKOC-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO CN(C)CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568951 505788232 /nfs/dbraw/zinc/78/82/32/505788232.db2.gz VLIPTCPKRFJNAJ-FQEVSTJZSA-N 1 3 351.494 3.103 20 0 FGADHO CN(C)CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568951 505788235 /nfs/dbraw/zinc/78/82/35/505788235.db2.gz VLIPTCPKRFJNAJ-FQEVSTJZSA-N 1 3 351.494 3.103 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000154239446 495554688 /nfs/dbraw/zinc/55/46/88/495554688.db2.gz NXNZMMSGDLZSET-SFHVURJKSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC(C)CC1 ZINC000176276958 495575443 /nfs/dbraw/zinc/57/54/43/495575443.db2.gz UZVJBQDLJTUECD-GOSISDBHSA-N 1 3 364.578 3.203 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000176333279 495605406 /nfs/dbraw/zinc/60/54/06/495605406.db2.gz CNUGZIHGIQUBIS-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000176333279 495605409 /nfs/dbraw/zinc/60/54/09/495605409.db2.gz CNUGZIHGIQUBIS-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000158909242 495613182 /nfs/dbraw/zinc/61/31/82/495613182.db2.gz KFKXQDYSVCITEH-DZFGPLHGSA-N 1 3 373.541 3.404 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000158909242 495613189 /nfs/dbraw/zinc/61/31/89/495613189.db2.gz KFKXQDYSVCITEH-DZFGPLHGSA-N 1 3 373.541 3.404 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555537 495613999 /nfs/dbraw/zinc/61/39/99/495613999.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555537 495614001 /nfs/dbraw/zinc/61/40/01/495614001.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520557 495641816 /nfs/dbraw/zinc/64/18/16/495641816.db2.gz OAZJKXQOIXHZCR-QGZVFWFLSA-N 1 3 365.587 3.485 20 0 FGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000159068548 495650117 /nfs/dbraw/zinc/65/01/17/495650117.db2.gz HSAFDIUKBPKCJA-MRXNPFEDSA-N 1 3 374.529 3.122 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000568858006 505795242 /nfs/dbraw/zinc/79/52/42/505795242.db2.gz YREKXBIURKFRAE-DBXWQHBBSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000568858006 505795246 /nfs/dbraw/zinc/79/52/46/505795246.db2.gz YREKXBIURKFRAE-DBXWQHBBSA-N 1 3 374.550 3.469 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000159122774 495664530 /nfs/dbraw/zinc/66/45/30/495664530.db2.gz JFBYRJFNUBUESL-UHFFFAOYSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159251110 495694055 /nfs/dbraw/zinc/69/40/55/495694055.db2.gz ZLHWDQJKDDXGBX-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO CC1CCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159269727 495697685 /nfs/dbraw/zinc/69/76/85/495697685.db2.gz RKJTXCRXQFFBPW-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000150971566 495697752 /nfs/dbraw/zinc/69/77/52/495697752.db2.gz DAXIHRWVNWGDKM-KRWDZBQOSA-N 1 3 353.963 3.493 20 0 FGADHO Cc1nccn1CCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150988033 495703724 /nfs/dbraw/zinc/70/37/24/495703724.db2.gz WTAMGDJCXSPKDI-UHFFFAOYSA-N 1 3 369.557 3.292 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009388 495710051 /nfs/dbraw/zinc/71/00/51/495710051.db2.gz NZVOHIGIAFCWNS-UMVBOHGHSA-N 1 3 360.420 3.455 20 0 FGADHO Cc1ccc(/C=C/CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000176593325 495712962 /nfs/dbraw/zinc/71/29/62/495712962.db2.gz UQMPQRAFYATREO-ONEGZZNKSA-N 1 3 355.526 3.073 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176631913 495727270 /nfs/dbraw/zinc/72/72/70/495727270.db2.gz UBLRPWORVLNPFD-WOJBJXKFSA-N 1 3 360.546 3.153 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108409 495740522 /nfs/dbraw/zinc/74/05/22/495740522.db2.gz PHAQXIQQUOYUNJ-ROUUACIJSA-N 1 3 356.514 3.382 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000577839739 505802070 /nfs/dbraw/zinc/80/20/70/505802070.db2.gz OMODUUSDFHOCRU-INIZCTEOSA-N 1 3 362.587 3.251 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000171251626 495789618 /nfs/dbraw/zinc/78/96/18/495789618.db2.gz DESWCSMRNKIGFZ-OTWHNJEPSA-N 1 3 357.542 3.071 20 0 FGADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132624 495872600 /nfs/dbraw/zinc/87/26/00/495872600.db2.gz HLPWQAVQHNQLMJ-GLCCWIKHSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132624 495872607 /nfs/dbraw/zinc/87/26/07/495872607.db2.gz HLPWQAVQHNQLMJ-GLCCWIKHSA-N 1 3 350.506 3.375 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159921 495885079 /nfs/dbraw/zinc/88/50/79/495885079.db2.gz NTIPJCNSSWTRMW-JBYIUTFZSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159921 495885083 /nfs/dbraw/zinc/88/50/83/495885083.db2.gz NTIPJCNSSWTRMW-JBYIUTFZSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159939 495885120 /nfs/dbraw/zinc/88/51/20/495885120.db2.gz NTIPJCNSSWTRMW-KGVIQGDOSA-N 1 3 356.558 3.359 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000180159939 495885123 /nfs/dbraw/zinc/88/51/23/495885123.db2.gz NTIPJCNSSWTRMW-KGVIQGDOSA-N 1 3 356.558 3.359 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)o1 ZINC000174581927 496020686 /nfs/dbraw/zinc/02/06/86/496020686.db2.gz OJQNRZLIUVIAGG-UHFFFAOYSA-N 1 3 371.529 3.018 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629970 505819030 /nfs/dbraw/zinc/81/90/30/505819030.db2.gz JYVQUOLCQYVZGC-FXAWDEMLSA-N 1 3 364.578 3.394 20 0 FGADHO CC(=O)c1c(C)cc(C)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1C ZINC000177385520 496041235 /nfs/dbraw/zinc/04/12/35/496041235.db2.gz LBJZKHJOMUJZJB-UHFFFAOYSA-N 1 3 359.558 3.272 20 0 FGADHO CC(=O)c1c(C)cc(C)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1C ZINC000177385520 496041241 /nfs/dbraw/zinc/04/12/41/496041241.db2.gz LBJZKHJOMUJZJB-UHFFFAOYSA-N 1 3 359.558 3.272 20 0 FGADHO C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000174711360 496072063 /nfs/dbraw/zinc/07/20/63/496072063.db2.gz WRGMENFRAPBSQR-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Br)cc1Cl ZINC000174720193 496075968 /nfs/dbraw/zinc/07/59/68/496075968.db2.gz DSJRDWKUKQKFNO-UHFFFAOYSA-N 1 3 374.754 3.172 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000177489744 496082916 /nfs/dbraw/zinc/08/29/16/496082916.db2.gz CGOUIKPAVVFJNS-BGYRXZFFSA-N 1 3 362.562 3.265 20 0 FGADHO CC(C)C[NH+]1CCC(NCc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000177560473 496112719 /nfs/dbraw/zinc/11/27/19/496112719.db2.gz VAEJIKJLEXSWRK-UHFFFAOYSA-N 1 3 372.601 3.427 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000577947593 505825096 /nfs/dbraw/zinc/82/50/96/505825096.db2.gz NUMOSPFMOMAXMS-LSWJPFSZSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000577947593 505825098 /nfs/dbraw/zinc/82/50/98/505825098.db2.gz NUMOSPFMOMAXMS-LSWJPFSZSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000577947593 505825109 /nfs/dbraw/zinc/82/51/09/505825109.db2.gz NUMOSPFMOMAXMS-LSWJPFSZSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408733 496142471 /nfs/dbraw/zinc/14/24/71/496142471.db2.gz SNXNWZLJSAPHCF-IAGOWNOFSA-N 1 3 354.498 3.134 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000152408733 496142473 /nfs/dbraw/zinc/14/24/73/496142473.db2.gz SNXNWZLJSAPHCF-IAGOWNOFSA-N 1 3 354.498 3.134 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827361 /nfs/dbraw/zinc/82/73/61/505827361.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827365 /nfs/dbraw/zinc/82/73/65/505827365.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 1 3 374.573 3.459 20 0 FGADHO O=C(CC[NH2+]C1CCN(C2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000574683981 505831360 /nfs/dbraw/zinc/83/13/60/505831360.db2.gz AKDQCRKAFDDBQF-UHFFFAOYSA-N 1 3 351.441 3.290 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000184233649 496297101 /nfs/dbraw/zinc/29/71/01/496297101.db2.gz FCLZUHWALUWPDL-UYAOXDASSA-N 1 3 357.542 3.455 20 0 FGADHO C[C@H](OC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418274 /nfs/dbraw/zinc/41/82/74/496418274.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418280 /nfs/dbraw/zinc/41/82/80/496418280.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418286 /nfs/dbraw/zinc/41/82/86/496418286.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418288 /nfs/dbraw/zinc/41/82/88/496418288.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 1 3 366.933 3.195 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518584 496430232 /nfs/dbraw/zinc/43/02/32/496430232.db2.gz LENYTBJVOQXQHQ-BDTNDASRSA-N 1 3 371.569 3.117 20 0 FGADHO CN(CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000175557571 496441870 /nfs/dbraw/zinc/44/18/70/496441870.db2.gz PPSPFJUXPACOBE-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000175569844 496446198 /nfs/dbraw/zinc/44/61/98/496446198.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000175569844 496446204 /nfs/dbraw/zinc/44/62/04/496446204.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000187458745 496450109 /nfs/dbraw/zinc/45/01/09/496450109.db2.gz OGXRMRLNRPOZIP-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187458745 496450113 /nfs/dbraw/zinc/45/01/13/496450113.db2.gz OGXRMRLNRPOZIP-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)N(C)C)cc1 ZINC000571913303 505845307 /nfs/dbraw/zinc/84/53/07/505845307.db2.gz KDJVYAQHMZSLOR-QFBILLFUSA-N 1 3 363.571 3.392 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640563 496477849 /nfs/dbraw/zinc/47/78/49/496477849.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640563 496477851 /nfs/dbraw/zinc/47/78/51/496477851.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478256 /nfs/dbraw/zinc/47/82/56/496478256.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478260 /nfs/dbraw/zinc/47/82/60/496478260.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CCCC[C@@H](CCC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699551 496505894 /nfs/dbraw/zinc/50/58/94/496505894.db2.gz WCECBMLVFZTZEO-QGZVFWFLSA-N 1 3 352.567 3.203 20 0 FGADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000163601230 496536539 /nfs/dbraw/zinc/53/65/39/496536539.db2.gz WLSUHSBOGMTSKE-KRWDZBQOSA-N 1 3 366.571 3.499 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](N)c1ccccc1 ZINC000178731455 496554219 /nfs/dbraw/zinc/55/42/19/496554219.db2.gz BRVHRRXXUOVGTL-XMSQKQJNSA-N 1 3 365.521 3.351 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187770617 496564948 /nfs/dbraw/zinc/56/49/48/496564948.db2.gz YLSASIPPLAKKQR-QFBILLFUSA-N 1 3 363.571 3.238 20 0 FGADHO CN1CCC(N2CCC([NH2+]CCCCCOc3ccccc3)CC2)CC1 ZINC000187774617 496566140 /nfs/dbraw/zinc/56/61/40/496566140.db2.gz AYLIMOPELOHSEW-UHFFFAOYSA-N 1 3 359.558 3.384 20 0 FGADHO COC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187776996 496567473 /nfs/dbraw/zinc/56/74/73/496567473.db2.gz APGJQGGMMYPFKC-AVRDEDQJSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187776996 496567474 /nfs/dbraw/zinc/56/74/74/496567474.db2.gz APGJQGGMMYPFKC-AVRDEDQJSA-N 1 3 360.542 3.450 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178845264 496591205 /nfs/dbraw/zinc/59/12/05/496591205.db2.gz CFEWUFIQGMMIMZ-CEMLEFRQSA-N 1 3 371.569 3.383 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000181960397 496614387 /nfs/dbraw/zinc/61/43/87/496614387.db2.gz IYOZHQLMQQMMCG-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCCCC(F)(F)F)CC1 ZINC000154021803 496657831 /nfs/dbraw/zinc/65/78/31/496657831.db2.gz ZGYYSIWZJPHRIC-UHFFFAOYSA-N 1 3 365.484 3.135 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095365 496707275 /nfs/dbraw/zinc/70/72/75/496707275.db2.gz YFLDPEVMVCKBGB-GQIGUUNPSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095365 496707277 /nfs/dbraw/zinc/70/72/77/496707277.db2.gz YFLDPEVMVCKBGB-GQIGUUNPSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(OCCN(C)C)cc1 ZINC000168119093 496708733 /nfs/dbraw/zinc/70/87/33/496708733.db2.gz RPOMZDQRAWRVLF-WMZOPIPTSA-N 1 3 372.488 3.091 20 0 FGADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243661 496718647 /nfs/dbraw/zinc/71/86/47/496718647.db2.gz KUAWGWXVICBEBR-WOJBJXKFSA-N 1 3 364.555 3.118 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268789 496724031 /nfs/dbraw/zinc/72/40/31/496724031.db2.gz SWAWKBLONZUAKD-KKSFZXQISA-N 1 3 352.478 3.039 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268789 496724033 /nfs/dbraw/zinc/72/40/33/496724033.db2.gz SWAWKBLONZUAKD-KKSFZXQISA-N 1 3 352.478 3.039 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979075 496741519 /nfs/dbraw/zinc/74/15/19/496741519.db2.gz JYCQLFGMHHVUJO-ZVZYQTTQSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979075 496741522 /nfs/dbraw/zinc/74/15/22/496741522.db2.gz JYCQLFGMHHVUJO-ZVZYQTTQSA-N 1 3 366.347 3.348 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246989638 496744267 /nfs/dbraw/zinc/74/42/67/496744267.db2.gz JIMHTPSFMVLGGK-IJEWVQPXSA-N 1 3 367.921 3.304 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246989638 496744272 /nfs/dbraw/zinc/74/42/72/496744272.db2.gz JIMHTPSFMVLGGK-IJEWVQPXSA-N 1 3 367.921 3.304 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401901 496761203 /nfs/dbraw/zinc/76/12/03/496761203.db2.gz ZODASWHDMMFHJK-AWEZNQCLSA-N 1 3 357.420 3.450 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401901 496761207 /nfs/dbraw/zinc/76/12/07/496761207.db2.gz ZODASWHDMMFHJK-AWEZNQCLSA-N 1 3 357.420 3.450 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748882 496772762 /nfs/dbraw/zinc/77/27/62/496772762.db2.gz GUQQNHDWJYHMIC-UZLBHIALSA-N 1 3 352.482 3.320 20 0 FGADHO C[C@@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748882 496772765 /nfs/dbraw/zinc/77/27/65/496772765.db2.gz GUQQNHDWJYHMIC-UZLBHIALSA-N 1 3 352.482 3.320 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268781215 496782603 /nfs/dbraw/zinc/78/26/03/496782603.db2.gz XZAWAJOXDSBBBB-ZPMCFJSWSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268781215 496782606 /nfs/dbraw/zinc/78/26/06/496782606.db2.gz XZAWAJOXDSBBBB-ZPMCFJSWSA-N 1 3 354.494 3.229 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1OCC ZINC000268840510 496800533 /nfs/dbraw/zinc/80/05/33/496800533.db2.gz UDTCAOQQTLMADV-GOSISDBHSA-N 1 3 363.546 3.162 20 0 FGADHO CN1CCC(CN[C@H](c2cccs2)c2ncc[nH]2)([NH+]2CCCCC2)CC1 ZINC000195046970 496801888 /nfs/dbraw/zinc/80/18/88/496801888.db2.gz MDIKNEHSBGCBSC-GOSISDBHSA-N 1 3 373.570 3.101 20 0 FGADHO Brc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000191547578 496805995 /nfs/dbraw/zinc/80/59/95/496805995.db2.gz OMWCZQCZDSIMJL-UHFFFAOYSA-N 1 3 350.260 3.443 20 0 FGADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000268870866 496810372 /nfs/dbraw/zinc/81/03/72/496810372.db2.gz KDUOBYFUBZMJTI-QLXKLKPCSA-N 1 3 374.550 3.258 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000191573895 496818658 /nfs/dbraw/zinc/81/86/58/496818658.db2.gz QXZGWOIPDSDZPC-UHFFFAOYSA-N 1 3 369.557 3.158 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094273 496820671 /nfs/dbraw/zinc/82/06/71/496820671.db2.gz BQTHYQJTSWXNNP-SFHVURJKSA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094273 496820673 /nfs/dbraw/zinc/82/06/73/496820673.db2.gz BQTHYQJTSWXNNP-SFHVURJKSA-N 1 3 368.525 3.031 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980232 496841187 /nfs/dbraw/zinc/84/11/87/496841187.db2.gz CSKPNLCSNVMDEM-QZTJIDSGSA-N 1 3 354.498 3.024 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247486057 496869952 /nfs/dbraw/zinc/86/99/52/496869952.db2.gz VFCGRGHEOCGAOW-XYJFISCASA-N 1 3 366.575 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247486057 496869953 /nfs/dbraw/zinc/86/99/53/496869953.db2.gz VFCGRGHEOCGAOW-XYJFISCASA-N 1 3 366.575 3.161 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000248067728 496951807 /nfs/dbraw/zinc/95/18/07/496951807.db2.gz ZTRFOSMFCXLYAN-SJORKVTESA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124298 496957585 /nfs/dbraw/zinc/95/75/85/496957585.db2.gz NSUDCBXWKSVZHC-GJZGRUSLSA-N 1 3 355.320 3.337 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124298 496957587 /nfs/dbraw/zinc/95/75/87/496957587.db2.gz NSUDCBXWKSVZHC-GJZGRUSLSA-N 1 3 355.320 3.337 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189040183 496987754 /nfs/dbraw/zinc/98/77/54/496987754.db2.gz HCYMFIBXUFXNFN-UHFFFAOYSA-N 1 3 363.855 3.476 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678367 496988657 /nfs/dbraw/zinc/98/86/57/496988657.db2.gz ZGLMWPORJZTJNM-UTKZUKDTSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678367 496988660 /nfs/dbraw/zinc/98/86/60/496988660.db2.gz ZGLMWPORJZTJNM-UTKZUKDTSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@H]1CC[N@H+](CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000572056700 505879659 /nfs/dbraw/zinc/87/96/59/505879659.db2.gz YEYCXNQXGZXORL-INIZCTEOSA-N 1 3 363.933 3.010 20 0 FGADHO C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000572056700 505879662 /nfs/dbraw/zinc/87/96/62/505879662.db2.gz YEYCXNQXGZXORL-INIZCTEOSA-N 1 3 363.933 3.010 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618187 497058867 /nfs/dbraw/zinc/05/88/67/497058867.db2.gz LCUBXFOVZROSRL-YOEHRIQHSA-N 1 3 370.335 3.071 20 0 FGADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248645691 497070490 /nfs/dbraw/zinc/07/04/90/497070490.db2.gz GRZWYACZLACAFY-WRTQPQOASA-N 1 3 356.510 3.218 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cc2)CC1 ZINC000236634252 497124645 /nfs/dbraw/zinc/12/46/45/497124645.db2.gz SIZGGXUHXAGPPF-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236856355 497158418 /nfs/dbraw/zinc/15/84/18/497158418.db2.gz WVKZYXFXQUMTRK-WMZOPIPTSA-N 1 3 371.447 3.075 20 0 FGADHO CCOc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000278591685 497159378 /nfs/dbraw/zinc/15/93/78/497159378.db2.gz ZOAUHBDPAUHNAE-UHFFFAOYSA-N 1 3 372.484 3.471 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236887034 497163993 /nfs/dbraw/zinc/16/39/93/497163993.db2.gz PUHSTVBWYQJWEY-SJLPKXTDSA-N 1 3 371.447 3.204 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000278612405 497167568 /nfs/dbraw/zinc/16/75/68/497167568.db2.gz DALPGHXBJCBSNW-FQEVSTJZSA-N 1 3 372.484 3.471 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1F ZINC000278612405 497167572 /nfs/dbraw/zinc/16/75/72/497167572.db2.gz DALPGHXBJCBSNW-FQEVSTJZSA-N 1 3 372.484 3.471 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000249379263 497196203 /nfs/dbraw/zinc/19/62/03/497196203.db2.gz OKLKXVMMDSEPOW-CHWSQXEVSA-N 1 3 358.267 3.284 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000278741860 497205972 /nfs/dbraw/zinc/20/59/72/497205972.db2.gz MNKUZULOZGIQOW-IBGZPJMESA-N 1 3 358.457 3.081 20 0 FGADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000278741860 497205976 /nfs/dbraw/zinc/20/59/76/497205976.db2.gz MNKUZULOZGIQOW-IBGZPJMESA-N 1 3 358.457 3.081 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000192789747 497215284 /nfs/dbraw/zinc/21/52/84/497215284.db2.gz WAGUJGNMMJRHTG-IBGZPJMESA-N 1 3 369.557 3.247 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014602 497232054 /nfs/dbraw/zinc/23/20/54/497232054.db2.gz UJSBQLHMCRVREE-RXVVDRJESA-N 1 3 357.542 3.087 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014602 497232061 /nfs/dbraw/zinc/23/20/61/497232061.db2.gz UJSBQLHMCRVREE-RXVVDRJESA-N 1 3 357.542 3.087 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252442258 497299514 /nfs/dbraw/zinc/29/95/14/497299514.db2.gz RRGJICCCLSBMLC-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252442258 497299520 /nfs/dbraw/zinc/29/95/20/497299520.db2.gz RRGJICCCLSBMLC-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccnc3ccccc32)CC1 ZINC000266329967 497306255 /nfs/dbraw/zinc/30/62/55/497306255.db2.gz GVDHGNCZMHQKOX-UHFFFAOYSA-N 1 3 366.509 3.053 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237938132 497316991 /nfs/dbraw/zinc/31/69/91/497316991.db2.gz PTWZJMKVEQKGBD-LEWJYISDSA-N 1 3 351.494 3.420 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCNc3ccccc32)C1 ZINC000193277503 497339550 /nfs/dbraw/zinc/33/95/50/497339550.db2.gz CRVOGKNFAADTKN-SIKLNZKXSA-N 1 3 351.494 3.290 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCNc3ccccc32)C1 ZINC000193277503 497339554 /nfs/dbraw/zinc/33/95/54/497339554.db2.gz CRVOGKNFAADTKN-SIKLNZKXSA-N 1 3 351.494 3.290 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305279 497344748 /nfs/dbraw/zinc/34/47/48/497344748.db2.gz FVZTYQAYYQOMFV-BBRMVZONSA-N 1 3 359.436 3.332 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305290 497344892 /nfs/dbraw/zinc/34/48/92/497344892.db2.gz FVZTYQAYYQOMFV-XJKSGUPXSA-N 1 3 359.436 3.332 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455732 497353971 /nfs/dbraw/zinc/35/39/71/497353971.db2.gz JEISOAWYHUSSBI-SJLPKXTDSA-N 1 3 350.503 3.018 20 0 FGADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000271459225 497354380 /nfs/dbraw/zinc/35/43/80/497354380.db2.gz HCJSXLZAOUVATK-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000275539319 497357979 /nfs/dbraw/zinc/35/79/79/497357979.db2.gz ZVBQPPOILHYVTM-SFHVURJKSA-N 1 3 356.470 3.114 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000190123914 497366288 /nfs/dbraw/zinc/36/62/88/497366288.db2.gz MHYIIDAISCXULW-OAQYLSRUSA-N 1 3 372.557 3.341 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC000575001219 505902154 /nfs/dbraw/zinc/90/21/54/505902154.db2.gz APUXJLGNUGCMLF-HSZRJFAPSA-N 1 3 365.521 3.185 20 0 FGADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624610 497479122 /nfs/dbraw/zinc/47/91/22/497479122.db2.gz GETFGFPMCCWDBW-LEWJYISDSA-N 1 3 370.541 3.138 20 0 FGADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117916 497510467 /nfs/dbraw/zinc/51/04/67/497510467.db2.gz BRWAOLHPEJPGAE-AYOQOUSVSA-N 1 3 363.933 3.371 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000262139299 497514882 /nfs/dbraw/zinc/51/48/82/497514882.db2.gz LQFJOUKNDVQILU-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000262139299 497514887 /nfs/dbraw/zinc/51/48/87/497514887.db2.gz LQFJOUKNDVQILU-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307498 497541071 /nfs/dbraw/zinc/54/10/71/497541071.db2.gz YCHANNRWTKALRP-GDBMZVCRSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307498 497541076 /nfs/dbraw/zinc/54/10/76/497541076.db2.gz YCHANNRWTKALRP-GDBMZVCRSA-N 1 3 362.411 3.404 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000194009375 497547155 /nfs/dbraw/zinc/54/71/55/497547155.db2.gz QDVJDEPJDHHTPE-BHIFYINESA-N 1 3 370.537 3.454 20 0 FGADHO CN1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@@H]1c1cccs1 ZINC000262447536 497558395 /nfs/dbraw/zinc/55/83/95/497558395.db2.gz VMJBUKNRWFTSIM-JSFADZTLSA-N 1 3 361.555 3.027 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000276453230 497577726 /nfs/dbraw/zinc/57/77/26/497577726.db2.gz LXJFZBUIBZDMHA-NHCUHLMSSA-N 1 3 366.509 3.358 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262648877 497590580 /nfs/dbraw/zinc/59/05/80/497590580.db2.gz PSTHZMKRKNKTOS-OSZJIOELSA-N 1 3 365.521 3.492 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262648877 497590586 /nfs/dbraw/zinc/59/05/86/497590586.db2.gz PSTHZMKRKNKTOS-OSZJIOELSA-N 1 3 365.521 3.492 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152859 497640247 /nfs/dbraw/zinc/64/02/47/497640247.db2.gz DBOAHMRDMABLDC-BPQIPLTHSA-N 1 3 366.575 3.113 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152859 497640250 /nfs/dbraw/zinc/64/02/50/497640250.db2.gz DBOAHMRDMABLDC-BPQIPLTHSA-N 1 3 366.575 3.113 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCSC)c1 ZINC000272509980 497646972 /nfs/dbraw/zinc/64/69/72/497646972.db2.gz XEKBZFKNRDHHIK-SFHVURJKSA-N 1 3 351.560 3.005 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCSC)c1 ZINC000272509980 497646980 /nfs/dbraw/zinc/64/69/80/497646980.db2.gz XEKBZFKNRDHHIK-SFHVURJKSA-N 1 3 351.560 3.005 20 0 FGADHO N[C@@H](CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966927 497668279 /nfs/dbraw/zinc/66/82/79/497668279.db2.gz REBSSZFJPNTBRJ-OALUTQOASA-N 1 3 369.534 3.309 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(N(C)CCOC)nc2)cc1 ZINC000276871833 497675312 /nfs/dbraw/zinc/67/53/12/497675312.db2.gz BATWOTVYMCTOIU-UHFFFAOYSA-N 1 3 370.541 3.296 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194528019 497696035 /nfs/dbraw/zinc/69/60/35/497696035.db2.gz JJTMOBARGBFUGH-UHFFFAOYSA-N 1 3 356.514 3.006 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccsc1 ZINC000272705719 497708064 /nfs/dbraw/zinc/70/80/64/497708064.db2.gz GMUJLTCWMLYYCA-QAPCUYQASA-N 1 3 364.559 3.081 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705719 497708067 /nfs/dbraw/zinc/70/80/67/497708067.db2.gz GMUJLTCWMLYYCA-QAPCUYQASA-N 1 3 364.559 3.081 20 0 FGADHO [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000263263621 497745033 /nfs/dbraw/zinc/74/50/33/497745033.db2.gz GVKBUPPPUAPQCX-QGZVFWFLSA-N 1 3 371.456 3.014 20 0 FGADHO CCCOc1c(CNCC2(O)CC[NH+](C(C)C)CC2)cccc1OCC ZINC000268448157 497752898 /nfs/dbraw/zinc/75/28/98/497752898.db2.gz UYWYLKJBEBYFML-UHFFFAOYSA-N 1 3 364.530 3.199 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246873980 497818061 /nfs/dbraw/zinc/81/80/61/497818061.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 1 3 372.553 3.300 20 0 FGADHO Cc1ccc(C)c(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246873980 497818062 /nfs/dbraw/zinc/81/80/62/497818062.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 1 3 372.553 3.300 20 0 FGADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866463 497835682 /nfs/dbraw/zinc/83/56/82/497835682.db2.gz XDTAJGRUYJBORB-VOBQZIQPSA-N 1 3 352.469 3.426 20 0 FGADHO CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452769 505939430 /nfs/dbraw/zinc/93/94/30/505939430.db2.gz QVPRCIXSNYFZHA-SFTDATJTSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@H](CN1CCC(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000296009577 497890311 /nfs/dbraw/zinc/89/03/11/497890311.db2.gz LOTAOOVJBKJCCS-MRXNPFEDSA-N 1 3 351.485 3.028 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3CN)ccc21 ZINC000575311800 505958414 /nfs/dbraw/zinc/95/84/14/505958414.db2.gz YTMMPQFEVMUZQT-LEWJYISDSA-N 1 3 364.493 3.326 20 0 FGADHO Oc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000285358775 498062510 /nfs/dbraw/zinc/06/25/10/498062510.db2.gz VOAAOCFEJOJSQH-NQIIRXRSSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1cccc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000285358775 498062507 /nfs/dbraw/zinc/06/25/07/498062507.db2.gz VOAAOCFEJOJSQH-NQIIRXRSSA-N 1 3 352.478 3.126 20 0 FGADHO Cc1cc(N[C@@H](C)CN2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372592 498078512 /nfs/dbraw/zinc/07/85/12/498078512.db2.gz UOFJVRQSALYXMS-AWEZNQCLSA-N 1 3 364.440 3.192 20 0 FGADHO COCCOCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262376 498083632 /nfs/dbraw/zinc/08/36/32/498083632.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 1 3 358.526 3.298 20 0 FGADHO COCCOCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262376 498083638 /nfs/dbraw/zinc/08/36/38/498083638.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 1 3 358.526 3.298 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000581387008 505976542 /nfs/dbraw/zinc/97/65/42/505976542.db2.gz ZAAOJZUXBRTFOQ-JOCHJYFZSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000364767643 498134481 /nfs/dbraw/zinc/13/44/81/498134481.db2.gz BOSMWSVQTVGLSK-UIFIKXQLSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364767643 498134489 /nfs/dbraw/zinc/13/44/89/498134489.db2.gz BOSMWSVQTVGLSK-UIFIKXQLSA-N 1 3 370.541 3.138 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281424326 498145774 /nfs/dbraw/zinc/14/57/74/498145774.db2.gz BXYQMXXQISXRQW-VXKWHMMOSA-N 1 3 369.484 3.418 20 0 FGADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281424326 498145780 /nfs/dbraw/zinc/14/57/80/498145780.db2.gz BXYQMXXQISXRQW-VXKWHMMOSA-N 1 3 369.484 3.418 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640476 505987133 /nfs/dbraw/zinc/98/71/33/505987133.db2.gz XYWRJBAMUGBQBT-JXFKEZNVSA-N 1 3 368.949 3.489 20 0 FGADHO Cc1cc2cc([C@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2cc1C ZINC000569712836 505999596 /nfs/dbraw/zinc/99/95/96/505999596.db2.gz OSZLQXYAEDUEQF-REDKUUPNSA-N 1 3 369.509 3.347 20 0 FGADHO C[C@H](N[C@@H]1C[C@H](CO)c2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000364951858 498224712 /nfs/dbraw/zinc/22/47/12/498224712.db2.gz ICQHARGCDCLQIV-AQOAWAETSA-N 1 3 354.494 3.499 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365063803 498279266 /nfs/dbraw/zinc/27/92/66/498279266.db2.gz BDTQTRCMCLDIAT-AKIFATBCSA-N 1 3 372.553 3.328 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000360696807 498299276 /nfs/dbraw/zinc/29/92/76/498299276.db2.gz FKJIFQMYQZATLC-IIDMSEBBSA-N 1 3 363.477 3.078 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007353 498355007 /nfs/dbraw/zinc/35/50/07/498355007.db2.gz VRYQNRRKISXXSS-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO Fc1ccc(-n2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811128 506021423 /nfs/dbraw/zinc/02/14/23/506021423.db2.gz LSLWCROXENFFBA-IRXDYDNUSA-N 1 3 368.500 3.322 20 0 FGADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450885 498389242 /nfs/dbraw/zinc/38/92/42/498389242.db2.gz KOTKVCPYEGVEIZ-UZLBHIALSA-N 1 3 361.505 3.151 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730578 498423765 /nfs/dbraw/zinc/42/37/65/498423765.db2.gz YMYJKHVFOZLKNP-QUCCMNQESA-N 1 3 357.542 3.041 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365485972 498492550 /nfs/dbraw/zinc/49/25/50/498492550.db2.gz OUKXBEBMJCINDU-HXUWFJFHSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365485972 498492555 /nfs/dbraw/zinc/49/25/55/498492555.db2.gz OUKXBEBMJCINDU-HXUWFJFHSA-N 1 3 365.521 3.342 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681331 506043681 /nfs/dbraw/zinc/04/36/81/506043681.db2.gz KSKPQHNIMRYIBG-FKBYEOEOSA-N 1 3 372.553 3.320 20 0 FGADHO CN(CCCN(C)C(=O)NCCCCC[NH+]1CCCC1)Cc1ccco1 ZINC000297615300 498512290 /nfs/dbraw/zinc/51/22/90/498512290.db2.gz BGZRDBUHCVKROG-UHFFFAOYSA-N 1 3 364.534 3.009 20 0 FGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)CCN1CC[NH2+]CC1 ZINC000578895420 506046357 /nfs/dbraw/zinc/04/63/57/506046357.db2.gz STYQQXZPHHNNFG-QGZVFWFLSA-N 1 3 358.555 3.325 20 0 FGADHO [NH3+]CCC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000575993066 506051530 /nfs/dbraw/zinc/05/15/30/506051530.db2.gz SZRZBODHHLSMQO-UHFFFAOYSA-N 1 3 363.303 3.196 20 0 FGADHO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000365614362 498559105 /nfs/dbraw/zinc/55/91/05/498559105.db2.gz GJIPEUCAZRJLKQ-QFIPXVFZSA-N 1 3 359.558 3.057 20 0 FGADHO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000365614362 498559113 /nfs/dbraw/zinc/55/91/13/498559113.db2.gz GJIPEUCAZRJLKQ-QFIPXVFZSA-N 1 3 359.558 3.057 20 0 FGADHO COCCCn1nccc1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000282594024 498573589 /nfs/dbraw/zinc/57/35/89/498573589.db2.gz HFXQMZZAXYBQQE-RTBURBONSA-N 1 3 370.541 3.166 20 0 FGADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773656 506065488 /nfs/dbraw/zinc/06/54/88/506065488.db2.gz KHRQQBAQOLAIOJ-KRWDZBQOSA-N 1 3 371.872 3.487 20 0 FGADHO CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287117038 498635104 /nfs/dbraw/zinc/63/51/04/498635104.db2.gz LRPMOMHQKDVHLV-JKWVGCSGSA-N 1 3 370.541 3.090 20 0 FGADHO CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287117038 498635113 /nfs/dbraw/zinc/63/51/13/498635113.db2.gz LRPMOMHQKDVHLV-JKWVGCSGSA-N 1 3 370.541 3.090 20 0 FGADHO Cc1cc(F)ccc1[C@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000363122268 498661687 /nfs/dbraw/zinc/66/16/87/498661687.db2.gz MLJNKBRMXIQQQV-JOCHJYFZSA-N 1 3 371.500 3.201 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000287300787 498706860 /nfs/dbraw/zinc/70/68/60/498706860.db2.gz DPLJYTOCAVZSQD-WBVHZDCISA-N 1 3 350.503 3.164 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000287300787 498706867 /nfs/dbraw/zinc/70/68/67/498706867.db2.gz DPLJYTOCAVZSQD-WBVHZDCISA-N 1 3 350.503 3.164 20 0 FGADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000298366408 498746987 /nfs/dbraw/zinc/74/69/87/498746987.db2.gz KITRFMZZWKYUOJ-GOSISDBHSA-N 1 3 350.510 3.087 20 0 FGADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597025 498760829 /nfs/dbraw/zinc/76/08/29/498760829.db2.gz XRGHWPRUDFDJLI-LPHOPBHVSA-N 1 3 368.477 3.424 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294666985 498766773 /nfs/dbraw/zinc/76/67/73/498766773.db2.gz HNNFFPMPSBSXMF-PWRODBHTSA-N 1 3 374.525 3.282 20 0 FGADHO CCc1cccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000576168736 506092415 /nfs/dbraw/zinc/09/24/15/506092415.db2.gz ZLMWZUIXQBFXBC-RTBURBONSA-N 1 3 360.542 3.449 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)nc21 ZINC000366209436 498824625 /nfs/dbraw/zinc/82/46/25/498824625.db2.gz KDAILCGKBBPRQE-KZNAEPCWSA-N 1 3 357.498 3.158 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C)nc21 ZINC000366209436 498824632 /nfs/dbraw/zinc/82/46/32/498824632.db2.gz KDAILCGKBBPRQE-KZNAEPCWSA-N 1 3 357.498 3.158 20 0 FGADHO CC[C@H](NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000366296333 498864022 /nfs/dbraw/zinc/86/40/22/498864022.db2.gz SCBZNDBUKIMJTA-NRFANRHFSA-N 1 3 369.557 3.420 20 0 FGADHO CC[C@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000366296333 498864031 /nfs/dbraw/zinc/86/40/31/498864031.db2.gz SCBZNDBUKIMJTA-NRFANRHFSA-N 1 3 369.557 3.420 20 0 FGADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113049 506121521 /nfs/dbraw/zinc/12/15/21/506121521.db2.gz QINITECXYKOWJB-RTWAWAEBSA-N 1 3 360.542 3.176 20 0 FGADHO CC(=O)Nc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000283804493 498987307 /nfs/dbraw/zinc/98/73/07/498987307.db2.gz AVRXJQIVDHGIPI-UHFFFAOYSA-N 1 3 367.493 3.408 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000288324219 498995146 /nfs/dbraw/zinc/99/51/46/498995146.db2.gz YBGGUFKUBGBUDU-KVPLUYHFSA-N 1 3 360.546 3.050 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000288324219 498995151 /nfs/dbraw/zinc/99/51/51/498995151.db2.gz YBGGUFKUBGBUDU-KVPLUYHFSA-N 1 3 360.546 3.050 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000579234924 506126199 /nfs/dbraw/zinc/12/61/99/506126199.db2.gz SDMSZENXKOWXLJ-GOSISDBHSA-N 1 3 357.542 3.079 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834617 499017974 /nfs/dbraw/zinc/01/79/74/499017974.db2.gz RUPCZKXBXXRPKC-PIKOESSRSA-N 1 3 374.525 3.388 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834617 499017979 /nfs/dbraw/zinc/01/79/79/499017979.db2.gz RUPCZKXBXXRPKC-PIKOESSRSA-N 1 3 374.525 3.388 20 0 FGADHO COc1ccc([C@H](C)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363887360 499040938 /nfs/dbraw/zinc/04/09/38/499040938.db2.gz KTHANBFZDKBIPD-LJQANCHMSA-N 1 3 359.558 3.148 20 0 FGADHO C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284309197 499086864 /nfs/dbraw/zinc/08/68/64/499086864.db2.gz JIHNEAKOTLQIIJ-AWEZNQCLSA-N 1 3 365.424 3.474 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4ccsc43)CC2)CC1 ZINC000364078626 499110310 /nfs/dbraw/zinc/11/03/10/499110310.db2.gz HXCHISKCAAQCRW-UHFFFAOYSA-N 1 3 357.523 3.190 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209989 499162235 /nfs/dbraw/zinc/16/22/35/499162235.db2.gz YLAALSIWICMWBU-LIRRHRJNSA-N 1 3 350.453 3.195 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209989 499162238 /nfs/dbraw/zinc/16/22/38/499162238.db2.gz YLAALSIWICMWBU-LIRRHRJNSA-N 1 3 350.453 3.195 20 0 FGADHO CCOC1CC(CN2CCC[C@H]([N@H+](C)CC3CC(OCC)C3)CC2)C1 ZINC000367222551 499163950 /nfs/dbraw/zinc/16/39/50/499163950.db2.gz CVUIZJNKPJHUKR-IOWXEBBTSA-N 1 3 352.563 3.403 20 0 FGADHO CCOC1CC(CN2CCC[C@H]([N@@H+](C)CC3CC(OCC)C3)CC2)C1 ZINC000367222551 499163951 /nfs/dbraw/zinc/16/39/51/499163951.db2.gz CVUIZJNKPJHUKR-IOWXEBBTSA-N 1 3 352.563 3.403 20 0 FGADHO CC1CC[NH+](CC2CCN(Cc3cn(C)nc3-c3cccnc3)CC2)CC1 ZINC000367228520 499165183 /nfs/dbraw/zinc/16/51/83/499165183.db2.gz KEOCXHOWOSZCTK-UHFFFAOYSA-N 1 3 367.541 3.426 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367610073 499217489 /nfs/dbraw/zinc/21/74/89/499217489.db2.gz ZXMGIMBIDNWAHJ-QHAWAJNXSA-N 1 3 367.493 3.172 20 0 FGADHO CC(C)COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709524 499246574 /nfs/dbraw/zinc/24/65/74/499246574.db2.gz RMRDSXFOKMTICU-UGKGYDQZSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370709524 499246575 /nfs/dbraw/zinc/24/65/75/499246575.db2.gz RMRDSXFOKMTICU-UGKGYDQZSA-N 1 3 359.558 3.179 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329857 499311341 /nfs/dbraw/zinc/31/13/41/499311341.db2.gz OPRUVDUVMIRKOE-PXNSSMCTSA-N 1 3 369.509 3.208 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329857 499311342 /nfs/dbraw/zinc/31/13/42/499311342.db2.gz OPRUVDUVMIRKOE-PXNSSMCTSA-N 1 3 369.509 3.208 20 0 FGADHO CC(C)[NH+]1CCN(CCCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000369203111 499376792 /nfs/dbraw/zinc/37/67/92/499376792.db2.gz KIDAFXIBSJZEDW-JOCHJYFZSA-N 1 3 352.526 3.177 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000369269226 499385925 /nfs/dbraw/zinc/38/59/25/499385925.db2.gz VTVJWZDJIBRRMQ-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000369269226 499385926 /nfs/dbraw/zinc/38/59/26/499385926.db2.gz VTVJWZDJIBRRMQ-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983842 499386745 /nfs/dbraw/zinc/38/67/45/499386745.db2.gz KFKXQDYSVCITEH-DUXKGJEZSA-N 1 3 373.541 3.404 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000371983842 499386747 /nfs/dbraw/zinc/38/67/47/499386747.db2.gz KFKXQDYSVCITEH-DUXKGJEZSA-N 1 3 373.541 3.404 20 0 FGADHO C(CN1CCC2(CCOCC2)CC1)C[NH+]1CCC2(CCOCC2)CC1 ZINC000375271556 499501733 /nfs/dbraw/zinc/50/17/33/499501733.db2.gz CZTHLLASDQPEOF-UHFFFAOYSA-N 1 3 350.547 3.162 20 0 FGADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000378338197 499503438 /nfs/dbraw/zinc/50/34/38/499503438.db2.gz XZHWWSMWDUISMT-FQEVSTJZSA-N 1 3 370.541 3.093 20 0 FGADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310967 499505721 /nfs/dbraw/zinc/50/57/21/499505721.db2.gz SMOWKUNJSSFXQT-FQEVSTJZSA-N 1 3 354.498 3.060 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000378415476 499514140 /nfs/dbraw/zinc/51/41/40/499514140.db2.gz GWGRQIKJTMDBNV-PZJWPPBQSA-N 1 3 370.541 3.021 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000378415476 499514142 /nfs/dbraw/zinc/51/41/42/499514142.db2.gz GWGRQIKJTMDBNV-PZJWPPBQSA-N 1 3 370.541 3.021 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000375647772 499540975 /nfs/dbraw/zinc/54/09/75/499540975.db2.gz FZUDXRVYNPICQY-OAQYLSRUSA-N 1 3 368.525 3.308 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382750468 499546136 /nfs/dbraw/zinc/54/61/36/499546136.db2.gz ZIPQCGKKFPUQHK-IBGZPJMESA-N 1 3 365.521 3.185 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495685 499551021 /nfs/dbraw/zinc/55/10/21/499551021.db2.gz FXHRJXXMRQOCRU-QGZVFWFLSA-N 1 3 354.450 3.036 20 0 FGADHO CCOc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397497045 499564399 /nfs/dbraw/zinc/56/43/99/499564399.db2.gz RBVUMRMRECSVLX-UHFFFAOYSA-N 1 3 354.494 3.202 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000397965998 499565791 /nfs/dbraw/zinc/56/57/91/499565791.db2.gz GXUDZLJECPARRU-PIPMEXSNSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000397965998 499565792 /nfs/dbraw/zinc/56/57/92/499565792.db2.gz GXUDZLJECPARRU-PIPMEXSNSA-N 1 3 372.484 3.066 20 0 FGADHO O=C(NCC1CC1)[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179220 499707386 /nfs/dbraw/zinc/70/73/86/499707386.db2.gz ZWMKZNMCARLCES-QFIPXVFZSA-N 1 3 369.553 3.411 20 0 FGADHO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411179220 499707388 /nfs/dbraw/zinc/70/73/88/499707388.db2.gz ZWMKZNMCARLCES-QFIPXVFZSA-N 1 3 369.553 3.411 20 0 FGADHO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411179220 499707390 /nfs/dbraw/zinc/70/73/90/499707390.db2.gz ZWMKZNMCARLCES-QFIPXVFZSA-N 1 3 369.553 3.411 20 0 FGADHO C[C@@H](CCc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377708807 499723309 /nfs/dbraw/zinc/72/33/09/499723309.db2.gz YBLIYAZAZJGIQI-HNYYDBCASA-N 1 3 359.533 3.390 20 0 FGADHO C[C@@H](CCc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377708807 499723311 /nfs/dbraw/zinc/72/33/11/499723311.db2.gz YBLIYAZAZJGIQI-HNYYDBCASA-N 1 3 359.533 3.390 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817993 499738370 /nfs/dbraw/zinc/73/83/70/499738370.db2.gz DIBXQFLCCJGORA-FDFHNCONSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817993 499738372 /nfs/dbraw/zinc/73/83/72/499738372.db2.gz DIBXQFLCCJGORA-FDFHNCONSA-N 1 3 363.505 3.123 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928311 499748621 /nfs/dbraw/zinc/74/86/21/499748621.db2.gz XKXRESZPPNNIPM-RMRDIRSESA-N 1 3 363.933 3.179 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928311 499748623 /nfs/dbraw/zinc/74/86/23/499748623.db2.gz XKXRESZPPNNIPM-RMRDIRSESA-N 1 3 363.933 3.179 20 0 FGADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000414128434 499763035 /nfs/dbraw/zinc/76/30/35/499763035.db2.gz RZAWVNUSZXVOGI-CEMLEFRQSA-N 1 3 352.526 3.243 20 0 FGADHO CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561807 499763314 /nfs/dbraw/zinc/76/33/14/499763314.db2.gz RNAQQPVIHMLLDL-RTWAWAEBSA-N 1 3 374.525 3.215 20 0 FGADHO C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2sccc21 ZINC000414207190 499768398 /nfs/dbraw/zinc/76/83/98/499768398.db2.gz ZGUSXKSHCWIFKF-FUHWJXTLSA-N 1 3 363.571 3.073 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414299576 499775511 /nfs/dbraw/zinc/77/55/11/499775511.db2.gz UHINCXIEHQXSPN-WMQCIHAUSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299576 499775512 /nfs/dbraw/zinc/77/55/12/499775512.db2.gz UHINCXIEHQXSPN-WMQCIHAUSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299576 499775514 /nfs/dbraw/zinc/77/55/14/499775514.db2.gz UHINCXIEHQXSPN-WMQCIHAUSA-N 1 3 356.485 3.402 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000411697358 499779564 /nfs/dbraw/zinc/77/95/64/499779564.db2.gz SASHNIRUWDJXNN-FQEVSTJZSA-N 1 3 357.542 3.280 20 0 FGADHO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751630 499826563 /nfs/dbraw/zinc/82/65/63/499826563.db2.gz SUYABTAOVRUITI-CQSZACIVSA-N 1 3 358.313 3.013 20 0 FGADHO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751630 499826565 /nfs/dbraw/zinc/82/65/65/499826565.db2.gz SUYABTAOVRUITI-CQSZACIVSA-N 1 3 358.313 3.013 20 0 FGADHO COCCN(Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414753803 499826735 /nfs/dbraw/zinc/82/67/35/499826735.db2.gz FEQCWPNSPINWBW-OLZOCXBDSA-N 1 3 361.349 3.347 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@H]21 ZINC000412188523 499832107 /nfs/dbraw/zinc/83/21/07/499832107.db2.gz BUWCHJMACUUAER-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@H]21 ZINC000412188523 499832109 /nfs/dbraw/zinc/83/21/09/499832109.db2.gz BUWCHJMACUUAER-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414841027 499836499 /nfs/dbraw/zinc/83/64/99/499836499.db2.gz KWRDNCCRSSMYBZ-HNNXBMFYSA-N 1 3 372.513 3.003 20 0 FGADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882825 499840972 /nfs/dbraw/zinc/84/09/72/499840972.db2.gz UPDOOUHRWNOEEA-UWVGGRQHSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882825 499840973 /nfs/dbraw/zinc/84/09/73/499840973.db2.gz UPDOOUHRWNOEEA-UWVGGRQHSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358807 499848374 /nfs/dbraw/zinc/84/83/74/499848374.db2.gz JIIMLTXAUOGPLJ-JQVVWYNYSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358807 499848376 /nfs/dbraw/zinc/84/83/76/499848376.db2.gz JIIMLTXAUOGPLJ-JQVVWYNYSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358803 499848390 /nfs/dbraw/zinc/84/83/90/499848390.db2.gz JIIMLTXAUOGPLJ-CNNODRBYSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358803 499848393 /nfs/dbraw/zinc/84/83/93/499848393.db2.gz JIIMLTXAUOGPLJ-CNNODRBYSA-N 1 3 369.553 3.475 20 0 FGADHO FC(F)[C@@H](CCc1ccccc1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000415056699 499859119 /nfs/dbraw/zinc/85/91/19/499859119.db2.gz QIWNSYKLYFCZDD-CTWPCTMYSA-N 1 3 351.485 3.059 20 0 FGADHO FC(F)[C@@H](CCc1ccccc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056699 499859121 /nfs/dbraw/zinc/85/91/21/499859121.db2.gz QIWNSYKLYFCZDD-CTWPCTMYSA-N 1 3 351.485 3.059 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415091430 499862386 /nfs/dbraw/zinc/86/23/86/499862386.db2.gz ZFLCQUAQWYOMOK-QRVBRYPASA-N 1 3 354.498 3.352 20 0 FGADHO CCCOc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415129393 499867667 /nfs/dbraw/zinc/86/76/67/499867667.db2.gz PIPFELILCXSJHN-WIYYLYMNSA-N 1 3 362.514 3.202 20 0 FGADHO [NH3+]C1(CNC/C=C\c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000415135204 499868742 /nfs/dbraw/zinc/86/87/42/499868742.db2.gz PWSVUNDZAFJVJW-DAXSKMNVSA-N 1 3 353.485 3.422 20 0 FGADHO CC(C)Cc1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415135270 499868894 /nfs/dbraw/zinc/86/88/94/499868894.db2.gz QCIVAVQVNGCFFY-UHFFFAOYSA-N 1 3 372.582 3.425 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314621 499885563 /nfs/dbraw/zinc/88/55/63/499885563.db2.gz XXMKRJZZPYQIQI-FXAWDEMLSA-N 1 3 374.529 3.190 20 0 FGADHO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415802713 499919561 /nfs/dbraw/zinc/91/95/61/499919561.db2.gz IQONRQKYLRHGRJ-ZDUSSCGKSA-N 1 3 368.909 3.062 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415944239 499931414 /nfs/dbraw/zinc/93/14/14/499931414.db2.gz OHJOADFXYIGWKC-LJQANCHMSA-N 1 3 352.482 3.192 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954631 499932986 /nfs/dbraw/zinc/93/29/86/499932986.db2.gz KXIYHIVVAAULAA-SUMWQHHRSA-N 1 3 374.460 3.315 20 0 FGADHO COc1cccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)c1 ZINC000415953967 499933130 /nfs/dbraw/zinc/93/31/30/499933130.db2.gz HWFFMZKCTKXTNU-HXUWFJFHSA-N 1 3 368.481 3.113 20 0 FGADHO COc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000415957542 499933242 /nfs/dbraw/zinc/93/32/42/499933242.db2.gz MNTZVUARWURUJJ-HXUWFJFHSA-N 1 3 368.481 3.113 20 0 FGADHO COc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000415957540 499933467 /nfs/dbraw/zinc/93/34/67/499933467.db2.gz MNTZVUARWURUJJ-FQEVSTJZSA-N 1 3 368.481 3.113 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1F)CCNC2)C(C)C ZINC000415971049 499935481 /nfs/dbraw/zinc/93/54/81/499935481.db2.gz JGFKANZVGCYWEI-UHFFFAOYSA-N 1 3 350.482 3.054 20 0 FGADHO OC1(CNCc2cnc(C3CC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000573305273 506166854 /nfs/dbraw/zinc/16/68/54/506166854.db2.gz SDSHMNJLOZSNIT-UHFFFAOYSA-N 1 3 357.523 3.137 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417042695 499956317 /nfs/dbraw/zinc/95/63/17/499956317.db2.gz LXDJICQJOKWKRG-YLJYHZDGSA-N 1 3 360.546 3.203 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417042695 499956320 /nfs/dbraw/zinc/95/63/20/499956320.db2.gz LXDJICQJOKWKRG-YLJYHZDGSA-N 1 3 360.546 3.203 20 0 FGADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000417215829 500007265 /nfs/dbraw/zinc/00/72/65/500007265.db2.gz NXFKSHWQZRAPQL-GHTZIAJQSA-N 1 3 372.557 3.228 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371669 500030358 /nfs/dbraw/zinc/03/03/58/500030358.db2.gz KCWMZCRGGGFGJD-HWKANZROSA-N 1 3 363.496 3.470 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(CCC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000417314358 500037105 /nfs/dbraw/zinc/03/71/05/500037105.db2.gz RALCNFVLGXNBME-OAQYLSRUSA-N 1 3 368.525 3.158 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000417356879 500047571 /nfs/dbraw/zinc/04/75/71/500047571.db2.gz QMOFFSRXEAODEX-PMACEKPBSA-N 1 3 360.546 3.147 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000417361356 500048989 /nfs/dbraw/zinc/04/89/89/500048989.db2.gz YTLSUQMFAAQWAW-OAQYLSRUSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417381095 500054094 /nfs/dbraw/zinc/05/40/94/500054094.db2.gz ICBKEICIODECRG-QFBILLFUSA-N 1 3 351.485 3.011 20 0 FGADHO CC(C)n1cncc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000425330125 500075895 /nfs/dbraw/zinc/07/58/95/500075895.db2.gz ATMYZLMLDYPMDB-UHFFFAOYSA-N 1 3 361.578 3.092 20 0 FGADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000425375433 500089416 /nfs/dbraw/zinc/08/94/16/500089416.db2.gz ZOLVMHPCFYPRME-VAMGGRTRSA-N 1 3 360.567 3.399 20 0 FGADHO CC1(C)CC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000416788454 500120905 /nfs/dbraw/zinc/12/09/05/500120905.db2.gz BJMCDZWREDAALA-LJQANCHMSA-N 1 3 368.525 3.448 20 0 FGADHO CN(C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808916 500126049 /nfs/dbraw/zinc/12/60/49/500126049.db2.gz PGELXDPLCUDFNL-UXHICEINSA-N 1 3 354.498 3.069 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000416834023 500133961 /nfs/dbraw/zinc/13/39/61/500133961.db2.gz CYKNCRHVQSFQOU-QWFCFKBJSA-N 1 3 360.546 3.134 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000416847233 500136701 /nfs/dbraw/zinc/13/67/01/500136701.db2.gz VBADFAVWCWBVKP-DLBZAZTESA-N 1 3 364.559 3.092 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C1CC[NH2+]CC1 ZINC000416849595 500137754 /nfs/dbraw/zinc/13/77/54/500137754.db2.gz YFXBHUNVRPWSMQ-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357406 506178204 /nfs/dbraw/zinc/17/82/04/506178204.db2.gz ASYNLOHSAVPSRG-KAGYGMCKSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357406 506178208 /nfs/dbraw/zinc/17/82/08/506178208.db2.gz ASYNLOHSAVPSRG-KAGYGMCKSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357406 506178210 /nfs/dbraw/zinc/17/82/10/506178210.db2.gz ASYNLOHSAVPSRG-KAGYGMCKSA-N 1 3 360.542 3.152 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000414065631 500143028 /nfs/dbraw/zinc/14/30/28/500143028.db2.gz GFHLXSLBXDIQPR-RXVVDRJESA-N 1 3 353.510 3.175 20 0 FGADHO COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000421867963 500166049 /nfs/dbraw/zinc/16/60/49/500166049.db2.gz PTWBJWRMFCWTPW-OYNPSCLESA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826282 500179927 /nfs/dbraw/zinc/17/99/27/500179927.db2.gz BZMFAKQSQGUABI-UIFIKXQLSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826282 500179930 /nfs/dbraw/zinc/17/99/30/500179930.db2.gz BZMFAKQSQGUABI-UIFIKXQLSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857885 500184912 /nfs/dbraw/zinc/18/49/12/500184912.db2.gz OUZKOOVVEUHGNF-KXBFYZLASA-N 1 3 356.514 3.115 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000417866127 500187014 /nfs/dbraw/zinc/18/70/14/500187014.db2.gz DBTROSUEIZYLEN-XGHQBKJUSA-N 1 3 366.509 3.169 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463574 506181482 /nfs/dbraw/zinc/18/14/82/506181482.db2.gz ZXKCJLAYUOQHHF-UYAOXDASSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463574 506181484 /nfs/dbraw/zinc/18/14/84/506181484.db2.gz ZXKCJLAYUOQHHF-UYAOXDASSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463574 506181488 /nfs/dbraw/zinc/18/14/88/506181488.db2.gz ZXKCJLAYUOQHHF-UYAOXDASSA-N 1 3 368.949 3.175 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000570504025 506182338 /nfs/dbraw/zinc/18/23/38/506182338.db2.gz QETQZHWVKQITQW-HXUWFJFHSA-N 1 3 365.521 3.484 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984129 500209318 /nfs/dbraw/zinc/20/93/18/500209318.db2.gz OMGCILFJCWKMGD-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430217720 500210608 /nfs/dbraw/zinc/21/06/08/500210608.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430217720 500210611 /nfs/dbraw/zinc/21/06/11/500210611.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000579471217 506182934 /nfs/dbraw/zinc/18/29/34/506182934.db2.gz NEAQUHRBCAESLA-KRWDZBQOSA-N 1 3 366.509 3.170 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418156840 500238887 /nfs/dbraw/zinc/23/88/87/500238887.db2.gz NPJYOHPLXKPHEN-YSIASYRMSA-N 1 3 372.557 3.056 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185259 500245024 /nfs/dbraw/zinc/24/50/24/500245024.db2.gz QWTOEIQTTBQELV-UWWQBHOKSA-N 1 3 366.937 3.102 20 0 FGADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC000418190824 500246402 /nfs/dbraw/zinc/24/64/02/500246402.db2.gz JSBWUOOKJVIIKZ-FPOVZHCZSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418199545 500248292 /nfs/dbraw/zinc/24/82/92/500248292.db2.gz XBLWUISNRNIRDN-FPOVZHCZSA-N 1 3 374.573 3.258 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(CC)CC)cc1 ZINC000418218224 500251068 /nfs/dbraw/zinc/25/10/68/500251068.db2.gz QKYFGIZMRXCOSS-AHRSYUTCSA-N 1 3 360.546 3.072 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CNCc2ccccc21 ZINC000579477863 506184995 /nfs/dbraw/zinc/18/49/95/506184995.db2.gz NBSIEOKZYQRVQX-IBGZPJMESA-N 1 3 367.493 3.233 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418251860 500255921 /nfs/dbraw/zinc/25/59/21/500255921.db2.gz XFTJMLSTQASHPM-IBGZPJMESA-N 1 3 360.546 3.056 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1Br ZINC000430576606 500257139 /nfs/dbraw/zinc/25/71/39/500257139.db2.gz SJBMYPKIKJJGDK-CQSZACIVSA-N 1 3 356.308 3.083 20 0 FGADHO C[N@H+](CCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418271375 500258191 /nfs/dbraw/zinc/25/81/91/500258191.db2.gz SZCUZURUPMZRKK-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO C[N@@H+](CCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418271375 500258192 /nfs/dbraw/zinc/25/81/92/500258192.db2.gz SZCUZURUPMZRKK-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000418322785 500261882 /nfs/dbraw/zinc/26/18/82/500261882.db2.gz FAWCVCAWHCRLAE-JXFKEZNVSA-N 1 3 360.546 3.182 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000418336720 500264405 /nfs/dbraw/zinc/26/44/05/500264405.db2.gz XHLAFBNXWJNODP-QHAWAJNXSA-N 1 3 372.557 3.467 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000418336720 500264407 /nfs/dbraw/zinc/26/44/07/500264407.db2.gz XHLAFBNXWJNODP-QHAWAJNXSA-N 1 3 372.557 3.467 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418347591 500265832 /nfs/dbraw/zinc/26/58/32/500265832.db2.gz IOCVLFDHMLUDAX-RTWAWAEBSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000418345513 500266133 /nfs/dbraw/zinc/26/61/33/500266133.db2.gz HIRLBFSNCUSQEO-AHRSYUTCSA-N 1 3 358.530 3.078 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418355122 500267719 /nfs/dbraw/zinc/26/77/19/500267719.db2.gz PBHNSCNIJARNMK-FQEVSTJZSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000418363378 500268521 /nfs/dbraw/zinc/26/85/21/500268521.db2.gz VRBICVMYJLCZDV-FFZOFVMBSA-N 1 3 358.530 3.078 20 0 FGADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418377339 500270081 /nfs/dbraw/zinc/27/00/81/500270081.db2.gz BGWCNPDOYVPSCI-SGZDXZSOSA-N 1 3 358.530 3.123 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000418424329 500275010 /nfs/dbraw/zinc/27/50/10/500275010.db2.gz GVCVETUCHQGRDX-UHFFFAOYSA-N 1 3 368.525 3.068 20 0 FGADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418425232 500275050 /nfs/dbraw/zinc/27/50/50/500275050.db2.gz JEWQVWHNYQHHAO-YSIASYRMSA-N 1 3 360.546 3.227 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418429679 500275360 /nfs/dbraw/zinc/27/53/60/500275360.db2.gz SKCHWUYXZIAPKZ-OAQYLSRUSA-N 1 3 372.557 3.202 20 0 FGADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418431392 500275983 /nfs/dbraw/zinc/27/59/83/500275983.db2.gz WZGCWQIYWNABDM-PKOBYXMFSA-N 1 3 360.546 3.371 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000418454095 500278322 /nfs/dbraw/zinc/27/83/22/500278322.db2.gz BQHHYLNIJHLFAT-KRWDZBQOSA-N 1 3 360.546 3.360 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430749418 500279197 /nfs/dbraw/zinc/27/91/97/500279197.db2.gz JNOALMZWHSKYBZ-XMSQKQJNSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430749418 500279198 /nfs/dbraw/zinc/27/91/98/500279198.db2.gz JNOALMZWHSKYBZ-XMSQKQJNSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000418459879 500279682 /nfs/dbraw/zinc/27/96/82/500279682.db2.gz JHRYCKJDKNLBGD-INIZCTEOSA-N 1 3 372.488 3.119 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482517 500281898 /nfs/dbraw/zinc/28/18/98/500281898.db2.gz FBTWXGLEMKFHDN-ORYQWCPZSA-N 1 3 368.525 3.354 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482517 500281900 /nfs/dbraw/zinc/28/19/00/500281900.db2.gz FBTWXGLEMKFHDN-ORYQWCPZSA-N 1 3 368.525 3.354 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccc2ccccc2c1 ZINC000418497881 500284481 /nfs/dbraw/zinc/28/44/81/500284481.db2.gz IUORSRQUTJDLML-VXKWHMMOSA-N 1 3 374.488 3.026 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCCN1 ZINC000422701816 500287019 /nfs/dbraw/zinc/28/70/19/500287019.db2.gz CPHKCXGHOHIXFJ-OFQRWUPVSA-N 1 3 352.320 3.148 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCSCCOc1cccc(Br)c1 ZINC000422704325 500288055 /nfs/dbraw/zinc/28/80/55/500288055.db2.gz KJHVUYVLJREENO-CJNGLKHVSA-N 1 3 373.360 3.278 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422710364 500288062 /nfs/dbraw/zinc/28/80/62/500288062.db2.gz LTRGTTKBTYSSLV-KDOFPFPSSA-N 1 3 355.448 3.257 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422711474 500288437 /nfs/dbraw/zinc/28/84/37/500288437.db2.gz MSMIXQCURJUGGK-DZKIICNBSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422711474 500288440 /nfs/dbraw/zinc/28/84/40/500288440.db2.gz MSMIXQCURJUGGK-DZKIICNBSA-N 1 3 352.320 3.135 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430849923 500296087 /nfs/dbraw/zinc/29/60/87/500296087.db2.gz ITLGOECBGWDUGW-NRFANRHFSA-N 1 3 364.493 3.023 20 0 FGADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788823 500297158 /nfs/dbraw/zinc/29/71/58/500297158.db2.gz NMQUQHSIDYZOJW-IFXJQAMLSA-N 1 3 364.486 3.036 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)N(C)C)cc1 ZINC000422786360 500297388 /nfs/dbraw/zinc/29/73/88/500297388.db2.gz QGXPQEIJDMTEHV-FUPPJEDESA-N 1 3 365.521 3.443 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809071 500300501 /nfs/dbraw/zinc/30/05/01/500300501.db2.gz RFLAQHKQPWFGAH-KKSFZXQISA-N 1 3 351.494 3.473 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418673183 500305673 /nfs/dbraw/zinc/30/56/73/500305673.db2.gz NHGAIPFNUQYCBH-IBGZPJMESA-N 1 3 374.554 3.302 20 0 FGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866105 500307141 /nfs/dbraw/zinc/30/71/41/500307141.db2.gz PUQGUCNCEHROKY-CWKRKGSWSA-N 1 3 370.585 3.098 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924800 500307802 /nfs/dbraw/zinc/30/78/02/500307802.db2.gz JOBYCVKQWRLZGF-RXVVDRJESA-N 1 3 365.521 3.342 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935194 500309894 /nfs/dbraw/zinc/30/98/94/500309894.db2.gz PGRPCQCLUUGNRZ-IXDOHACOSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887304 500311133 /nfs/dbraw/zinc/31/11/33/500311133.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887304 500311136 /nfs/dbraw/zinc/31/11/36/500311136.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000422916526 500316076 /nfs/dbraw/zinc/31/60/76/500316076.db2.gz DJQJYNJRJCFZNJ-FXAWDEMLSA-N 1 3 372.557 3.107 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769644 500318090 /nfs/dbraw/zinc/31/80/90/500318090.db2.gz KRXBXKRMJWRBJX-NRSPTQNISA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769644 500318092 /nfs/dbraw/zinc/31/80/92/500318092.db2.gz KRXBXKRMJWRBJX-NRSPTQNISA-N 1 3 369.553 3.278 20 0 FGADHO COc1ccccc1SC[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422940569 500320555 /nfs/dbraw/zinc/32/05/55/500320555.db2.gz HBRYPOXSICGMPO-XMTFNYHQSA-N 1 3 364.555 3.170 20 0 FGADHO C[C@H](NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949887 500322576 /nfs/dbraw/zinc/32/25/76/500322576.db2.gz UWGCSIAVELIDRO-MPGHIAIKSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000422964281 500324687 /nfs/dbraw/zinc/32/46/87/500324687.db2.gz IDQKPOKTBGKRGZ-GCJKJVERSA-N 1 3 367.537 3.272 20 0 FGADHO C[NH2+]C[C@H](C)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000431030886 500325810 /nfs/dbraw/zinc/32/58/10/500325810.db2.gz SNDFZFPMVSEUBZ-IBGZPJMESA-N 1 3 353.510 3.003 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994733 500328428 /nfs/dbraw/zinc/32/84/28/500328428.db2.gz VZPGVRHGNUOOOU-DSLXNQLJSA-N 1 3 370.459 3.367 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431058217 500329592 /nfs/dbraw/zinc/32/95/92/500329592.db2.gz RMQOVOUDRSXPIR-BHIYHBOVSA-N 1 3 363.571 3.374 20 0 FGADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431068633 500331035 /nfs/dbraw/zinc/33/10/35/500331035.db2.gz ZCFTVGGKZBTVRO-OALUTQOASA-N 1 3 363.571 3.374 20 0 FGADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021904 500331987 /nfs/dbraw/zinc/33/19/87/500331987.db2.gz GNQBASZQAUYNSU-RYUDHWBXSA-N 1 3 367.209 3.316 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1ccc(Br)cc1C(F)(F)F ZINC000423031564 500333311 /nfs/dbraw/zinc/33/33/11/500333311.db2.gz XCZKWLVUROJHGE-GFCCVEGCSA-N 1 3 369.225 3.311 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCC[C@H]3CN)nc12 ZINC000423035419 500333349 /nfs/dbraw/zinc/33/33/49/500333349.db2.gz JKIFVSLJRVDURN-BBRMVZONSA-N 1 3 365.319 3.055 20 0 FGADHO COCC[C@H](Cc1ccco1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423035520 500333996 /nfs/dbraw/zinc/33/39/96/500333996.db2.gz RRKJQOIZOMNAOZ-OZOXKJRCSA-N 1 3 356.466 3.073 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044832 500334551 /nfs/dbraw/zinc/33/45/51/500334551.db2.gz BFJSPPOVQFBVIE-LBPRGKRZSA-N 1 3 368.403 3.078 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046055 500335355 /nfs/dbraw/zinc/33/53/55/500335355.db2.gz CZIZSIDFJOWYKL-HOTGVXAUSA-N 1 3 359.283 3.383 20 0 FGADHO CC1(C)[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423053647 500336232 /nfs/dbraw/zinc/33/62/32/500336232.db2.gz SDTAEUNGBGMTJJ-XNTOXWQXSA-N 1 3 358.526 3.117 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423083419 500339785 /nfs/dbraw/zinc/33/97/85/500339785.db2.gz GAGIVXUMKTUGFK-QKHJWGRCSA-N 1 3 369.475 3.340 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCCC[C@@H]3C[NH3+])c2)n1 ZINC000423080919 500339985 /nfs/dbraw/zinc/33/99/85/500339985.db2.gz UAHIBGCPTYOQED-CVEARBPZSA-N 1 3 359.495 3.204 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2C[C@H](N)c3ccccc32)c(OC)c1 ZINC000423162174 500349779 /nfs/dbraw/zinc/34/97/79/500349779.db2.gz SWTWTFKMBQMNPY-FASAQXTFSA-N 1 3 356.466 3.378 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423199101 500353929 /nfs/dbraw/zinc/35/39/29/500353929.db2.gz JAJBJOLXECNUEA-LJQANCHMSA-N 1 3 357.502 3.059 20 0 FGADHO Cc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423242982 500357837 /nfs/dbraw/zinc/35/78/37/500357837.db2.gz FYRKWSQBTFVOOP-UWJYYQICSA-N 1 3 372.534 3.077 20 0 FGADHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000423281323 500361217 /nfs/dbraw/zinc/36/12/17/500361217.db2.gz UGRYNTBLURFXTM-LKFCYVNXSA-N 1 3 363.811 3.403 20 0 FGADHO CS(=O)(=O)c1cccc([C@H](NCCCC[NH3+])c2ccc(Cl)cc2)c1 ZINC000423319962 500364054 /nfs/dbraw/zinc/36/40/54/500364054.db2.gz FUOKNUDVTOHAKO-GOSISDBHSA-N 1 3 366.914 3.161 20 0 FGADHO COC[C@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCCN1 ZINC000423418517 500373189 /nfs/dbraw/zinc/37/31/89/500373189.db2.gz USMHSVOHJOIEET-ZWKOTPCHSA-N 1 3 367.331 3.128 20 0 FGADHO [NH3+]C1(CN[C@@H]2CCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000423552536 500384152 /nfs/dbraw/zinc/38/41/52/500384152.db2.gz GNEWFWKHIQWRHH-OAQYLSRUSA-N 1 3 353.485 3.396 20 0 FGADHO Cc1c([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573579 500386439 /nfs/dbraw/zinc/38/64/39/500386439.db2.gz OVRWTBAMGYAEFG-GOSISDBHSA-N 1 3 369.557 3.417 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423744993 500398160 /nfs/dbraw/zinc/39/81/60/500398160.db2.gz MBONJGDFGNFHJJ-INIZCTEOSA-N 1 3 351.922 3.010 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c2)CC1 ZINC000423854880 500412688 /nfs/dbraw/zinc/41/26/88/500412688.db2.gz WDTDDUOEBPDCRD-TZIWHRDSSA-N 1 3 358.530 3.063 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431782770 500424436 /nfs/dbraw/zinc/42/44/36/500424436.db2.gz FNQKMHSAIUCVLB-SFHVURJKSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431782770 500424440 /nfs/dbraw/zinc/42/44/40/500424440.db2.gz FNQKMHSAIUCVLB-SFHVURJKSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431796901 500425997 /nfs/dbraw/zinc/42/59/97/500425997.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431796901 500425999 /nfs/dbraw/zinc/42/59/99/500425999.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 1 3 357.542 3.374 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000582357831 506194888 /nfs/dbraw/zinc/19/48/88/506194888.db2.gz QMROUYWMIANXFB-SFHVURJKSA-N 1 3 361.436 3.014 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323896 500441527 /nfs/dbraw/zinc/44/15/27/500441527.db2.gz UOSQXGXLYAYHCZ-IRLDBZIGSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323896 500441530 /nfs/dbraw/zinc/44/15/30/500441530.db2.gz UOSQXGXLYAYHCZ-IRLDBZIGSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323896 500441532 /nfs/dbraw/zinc/44/15/32/500441532.db2.gz UOSQXGXLYAYHCZ-IRLDBZIGSA-N 1 3 354.494 3.419 20 0 FGADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000420365114 500448769 /nfs/dbraw/zinc/44/87/69/500448769.db2.gz KUASIDWBPRHEGO-MRXNPFEDSA-N 1 3 368.319 3.275 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414059 500457487 /nfs/dbraw/zinc/45/74/87/500457487.db2.gz UFYTZMNLDXOYLD-CDHQVMDDSA-N 1 3 362.420 3.136 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414059 500457488 /nfs/dbraw/zinc/45/74/88/500457488.db2.gz UFYTZMNLDXOYLD-CDHQVMDDSA-N 1 3 362.420 3.136 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]Cc3cncn3C(C)C)CC2)cc1 ZINC000424161848 500461945 /nfs/dbraw/zinc/46/19/45/500461945.db2.gz WEUVTRPZMNVFTN-UHFFFAOYSA-N 1 3 356.514 3.474 20 0 FGADHO CC(C)c1nc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000428305364 500493516 /nfs/dbraw/zinc/49/35/16/500493516.db2.gz KCQCCESMQZUIPR-UHFFFAOYSA-N 1 3 353.514 3.416 20 0 FGADHO CC(C)c1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000428305364 500493519 /nfs/dbraw/zinc/49/35/19/500493519.db2.gz KCQCCESMQZUIPR-UHFFFAOYSA-N 1 3 353.514 3.416 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420776444 500497919 /nfs/dbraw/zinc/49/79/19/500497919.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420776444 500497922 /nfs/dbraw/zinc/49/79/22/500497922.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC000424412427 500500186 /nfs/dbraw/zinc/50/01/86/500500186.db2.gz ANNNJOFMTBQIQG-SFHVURJKSA-N 1 3 366.509 3.440 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000424427514 500503195 /nfs/dbraw/zinc/50/31/95/500503195.db2.gz PRRUDEXAORDZES-UZLBHIALSA-N 1 3 352.482 3.096 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473237 500514986 /nfs/dbraw/zinc/51/49/86/500514986.db2.gz LWRWZPVTGBAXNI-GPJHCHHRSA-N 1 3 372.553 3.462 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442594250 500602567 /nfs/dbraw/zinc/60/25/67/500602567.db2.gz LQQQQIJKNQMIMQ-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442594250 500602569 /nfs/dbraw/zinc/60/25/69/500602569.db2.gz LQQQQIJKNQMIMQ-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442604695 500604140 /nfs/dbraw/zinc/60/41/40/500604140.db2.gz XMNFEINKOQGKMN-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442604695 500604143 /nfs/dbraw/zinc/60/41/43/500604143.db2.gz XMNFEINKOQGKMN-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO C[C@@H](NCc1cccc(N2CCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000442815839 500630311 /nfs/dbraw/zinc/63/03/11/500630311.db2.gz WPHYMQAHYBLXKA-QGZVFWFLSA-N 1 3 367.493 3.215 20 0 FGADHO C[NH+](C)CCOCCN[C@@H]1CCSc2ccc(Br)cc21 ZINC000447593751 500631370 /nfs/dbraw/zinc/63/13/70/500631370.db2.gz URNDHWZIOHFORO-CQSZACIVSA-N 1 3 359.333 3.154 20 0 FGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCOCC[NH+](C)C ZINC000447600875 500632114 /nfs/dbraw/zinc/63/21/14/500632114.db2.gz NIPQMXWAYRIQDU-CYBMUJFWSA-N 1 3 351.491 3.486 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890594 500642127 /nfs/dbraw/zinc/64/21/27/500642127.db2.gz PDMZESIJNNVQAO-KRWDZBQOSA-N 1 3 351.922 3.169 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@H](CC[NH3+])C1 ZINC000443054786 500669630 /nfs/dbraw/zinc/66/96/30/500669630.db2.gz AEJUAKIJNCFECX-RCCFBDPRSA-N 1 3 357.542 3.192 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079431 500676332 /nfs/dbraw/zinc/67/63/32/500676332.db2.gz ZMWRCDKEIHYBCM-CHWSQXEVSA-N 1 3 358.313 3.231 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000443379931 500716688 /nfs/dbraw/zinc/71/66/88/500716688.db2.gz NMYKKQPAXWFCTL-LJQANCHMSA-N 1 3 360.546 3.423 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000443379931 500716690 /nfs/dbraw/zinc/71/66/90/500716690.db2.gz NMYKKQPAXWFCTL-LJQANCHMSA-N 1 3 360.546 3.423 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180136 500866456 /nfs/dbraw/zinc/86/64/56/500866456.db2.gz AZUSICHGTXZWFJ-AABGKKOBSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751409 500892324 /nfs/dbraw/zinc/89/23/24/500892324.db2.gz OXNIXHBZEMUCPC-OAQYLSRUSA-N 1 3 357.542 3.267 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203608 500946925 /nfs/dbraw/zinc/94/69/25/500946925.db2.gz HMENSNWPWXEHGO-QZTJIDSGSA-N 1 3 366.571 3.151 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203608 500946927 /nfs/dbraw/zinc/94/69/27/500946927.db2.gz HMENSNWPWXEHGO-QZTJIDSGSA-N 1 3 366.571 3.151 20 0 FGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000449219596 500950693 /nfs/dbraw/zinc/95/06/93/500950693.db2.gz DOZVHVBHSPUQIO-INIZCTEOSA-N 1 3 353.466 3.489 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCCO[C@H](C)C2)CC1 ZINC000449283364 500966044 /nfs/dbraw/zinc/96/60/44/500966044.db2.gz LMOLOPMQHQPPQT-LEWJYISDSA-N 1 3 373.585 3.173 20 0 FGADHO C[NH+](C)CCCC(C)(C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000449527559 501025217 /nfs/dbraw/zinc/02/52/17/501025217.db2.gz JIXJLIBEMQFHCJ-UHFFFAOYSA-N 1 3 353.873 3.270 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000441015955 501075998 /nfs/dbraw/zinc/07/59/98/501075998.db2.gz ZNAXIEBNKFGEKU-LJQANCHMSA-N 1 3 364.578 3.064 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000441015955 501076000 /nfs/dbraw/zinc/07/60/00/501076000.db2.gz ZNAXIEBNKFGEKU-LJQANCHMSA-N 1 3 364.578 3.064 20 0 FGADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472407 501129868 /nfs/dbraw/zinc/12/98/68/501129868.db2.gz FKVHTBSSIXNHHY-SRYPRDQNSA-N 1 3 374.569 3.362 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000446839148 501171345 /nfs/dbraw/zinc/17/13/45/501171345.db2.gz PUUBRPGQKRGOGG-NRFANRHFSA-N 1 3 356.489 3.474 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3OC3CC3)CC2)CC1 ZINC000450737144 501197235 /nfs/dbraw/zinc/19/72/35/501197235.db2.gz KRXGLLZUECEICC-UHFFFAOYSA-N 1 3 357.542 3.077 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076661 501263867 /nfs/dbraw/zinc/26/38/67/501263867.db2.gz JLUFASMJOVXYRX-IBGZPJMESA-N 1 3 369.557 3.155 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453083733 501265282 /nfs/dbraw/zinc/26/52/82/501265282.db2.gz GHGYGSOKLWPCGD-PMXSJFBMSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453083733 501265285 /nfs/dbraw/zinc/26/52/85/501265285.db2.gz GHGYGSOKLWPCGD-PMXSJFBMSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(OCCN(C)C)c1 ZINC000453254948 501300716 /nfs/dbraw/zinc/30/07/16/501300716.db2.gz YZEJRJKFVDTIIH-UZLBHIALSA-N 1 3 360.473 3.020 20 0 FGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000453254637 501300983 /nfs/dbraw/zinc/30/09/83/501300983.db2.gz PJPKYSDLQCPVOZ-TZIWHRDSSA-N 1 3 360.542 3.462 20 0 FGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000453254629 501301104 /nfs/dbraw/zinc/30/11/04/501301104.db2.gz PJPKYSDLQCPVOZ-CTNGQTDRSA-N 1 3 360.542 3.462 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(OCCN(C)C)c1 ZINC000453254947 501301133 /nfs/dbraw/zinc/30/11/33/501301133.db2.gz YZEJRJKFVDTIIH-OXQOHEQNSA-N 1 3 360.473 3.020 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134060 501377546 /nfs/dbraw/zinc/37/75/46/501377546.db2.gz HSSYSTILSKRQMI-LEWJYISDSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134060 501377548 /nfs/dbraw/zinc/37/75/48/501377548.db2.gz HSSYSTILSKRQMI-LEWJYISDSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458486393 501455587 /nfs/dbraw/zinc/45/55/87/501455587.db2.gz GPKCAXLTPUEFDT-AZUAARDMSA-N 1 3 374.573 3.459 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505988 501461135 /nfs/dbraw/zinc/46/11/35/501461135.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505988 501461139 /nfs/dbraw/zinc/46/11/39/501461139.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555124 501473099 /nfs/dbraw/zinc/47/30/99/501473099.db2.gz LZPFAAHULZYSNT-MJUUVYJYSA-N 1 3 372.557 3.097 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000458785436 501531112 /nfs/dbraw/zinc/53/11/12/501531112.db2.gz WMROUIWHIMNIFE-BJLQDIEVSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000458785436 501531114 /nfs/dbraw/zinc/53/11/14/501531114.db2.gz WMROUIWHIMNIFE-BJLQDIEVSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000457200759 501664175 /nfs/dbraw/zinc/66/41/75/501664175.db2.gz LZBPBPDFKBXPTA-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000457200759 501664177 /nfs/dbraw/zinc/66/41/77/501664177.db2.gz LZBPBPDFKBXPTA-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000455120485 501691750 /nfs/dbraw/zinc/69/17/50/501691750.db2.gz RYWBDSSYFVEYOB-OAQYLSRUSA-N 1 3 372.557 3.389 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459701137 501701005 /nfs/dbraw/zinc/70/10/05/501701005.db2.gz NANFIWVIKGSXHF-FQEVSTJZSA-N 1 3 365.521 3.094 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000459768124 501710966 /nfs/dbraw/zinc/71/09/66/501710966.db2.gz QDTBZILELOAWKL-JTHBVZDNSA-N 1 3 371.569 3.202 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000459768124 501710968 /nfs/dbraw/zinc/71/09/68/501710968.db2.gz QDTBZILELOAWKL-JTHBVZDNSA-N 1 3 371.569 3.202 20 0 FGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1I ZINC000467373200 501779801 /nfs/dbraw/zinc/77/98/01/501779801.db2.gz KDMSIPYXOUPOIX-DOMZBBRYSA-N 1 3 358.267 3.029 20 0 FGADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)ccc1I ZINC000467373200 501779806 /nfs/dbraw/zinc/77/98/06/501779806.db2.gz KDMSIPYXOUPOIX-DOMZBBRYSA-N 1 3 358.267 3.029 20 0 FGADHO CC1CCC(C)(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000474249742 501759908 /nfs/dbraw/zinc/75/99/08/501759908.db2.gz NCEXQQSCAMOHPU-UHFFFAOYSA-N 1 3 364.578 3.061 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000460248189 501770444 /nfs/dbraw/zinc/77/04/44/501770444.db2.gz SMGDKGYYGDBVSQ-HXUWFJFHSA-N 1 3 366.594 3.404 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000460248189 501770450 /nfs/dbraw/zinc/77/04/50/501770450.db2.gz SMGDKGYYGDBVSQ-HXUWFJFHSA-N 1 3 366.594 3.404 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000467369502 501778540 /nfs/dbraw/zinc/77/85/40/501778540.db2.gz ZAABKNLYSOMRBX-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000467369502 501778545 /nfs/dbraw/zinc/77/85/45/501778545.db2.gz ZAABKNLYSOMRBX-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000467369502 501778548 /nfs/dbraw/zinc/77/85/48/501778548.db2.gz ZAABKNLYSOMRBX-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000485417638 501815721 /nfs/dbraw/zinc/81/57/21/501815721.db2.gz WZKAOBYRWQLWRR-DXIQSLLYSA-N 1 3 365.521 3.192 20 0 FGADHO COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1Cl ZINC000485425391 501818083 /nfs/dbraw/zinc/81/80/83/501818083.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1Cl ZINC000485425391 501818084 /nfs/dbraw/zinc/81/80/84/501818084.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO CCN1CC[NH+](CCCCN[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749568 501860485 /nfs/dbraw/zinc/86/04/85/501860485.db2.gz OZLPRFPPVXEVRS-CYBMUJFWSA-N 1 3 364.481 3.230 20 0 FGADHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752820 501861449 /nfs/dbraw/zinc/86/14/49/501861449.db2.gz MIPKGLKPCVKPQY-LBPRGKRZSA-N 1 3 364.481 3.086 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000481952351 501927274 /nfs/dbraw/zinc/92/72/74/501927274.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000481952351 501927279 /nfs/dbraw/zinc/92/72/79/501927279.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000481952351 501927287 /nfs/dbraw/zinc/92/72/87/501927287.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 1 3 361.574 3.324 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023130 501932265 /nfs/dbraw/zinc/93/22/65/501932265.db2.gz WCLBESKKHJAIEQ-AZUAARDMSA-N 1 3 360.546 3.099 20 0 FGADHO CC(C)C[C@H](CNC(=O)NC[C@H]1CCCN1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468028998 501934192 /nfs/dbraw/zinc/93/41/92/501934192.db2.gz XNVFQUGJZBUYEU-DFQSSKMNSA-N 1 3 360.546 3.145 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917061 501959000 /nfs/dbraw/zinc/95/90/00/501959000.db2.gz ZNNWGWHTAXLSJI-VQIMIIECSA-N 1 3 365.949 3.318 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917061 501959005 /nfs/dbraw/zinc/95/90/05/501959005.db2.gz ZNNWGWHTAXLSJI-VQIMIIECSA-N 1 3 365.949 3.318 20 0 FGADHO CC(C)(CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000478416613 501975074 /nfs/dbraw/zinc/97/50/74/501975074.db2.gz OWSPMHVGGZMESA-FQEVSTJZSA-N 1 3 372.557 3.245 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475010109 502021173 /nfs/dbraw/zinc/02/11/73/502021173.db2.gz NAVFQIYKPYVOMT-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000468413443 502051899 /nfs/dbraw/zinc/05/18/99/502051899.db2.gz VUGHEEMGTSPCGJ-TZIWHRDSSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000468413443 502051904 /nfs/dbraw/zinc/05/19/04/502051904.db2.gz VUGHEEMGTSPCGJ-TZIWHRDSSA-N 1 3 359.558 3.323 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475106673 502061258 /nfs/dbraw/zinc/06/12/58/502061258.db2.gz BTMPVCFFXXAEHM-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475129610 502071206 /nfs/dbraw/zinc/07/12/06/502071206.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475129610 502071212 /nfs/dbraw/zinc/07/12/12/502071212.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475168923 502088864 /nfs/dbraw/zinc/08/88/64/502088864.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475168923 502088868 /nfs/dbraw/zinc/08/88/68/502088868.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)(C)N1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000475214314 502101399 /nfs/dbraw/zinc/10/13/99/502101399.db2.gz YNJZGFBOLHRVMZ-UHFFFAOYSA-N 1 3 357.340 3.278 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559201 502110302 /nfs/dbraw/zinc/11/03/02/502110302.db2.gz VTKXFVXVDORZFW-TZMCWYRMSA-N 1 3 358.313 3.231 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C1CC1)N1CCCC1 ZINC000461467841 502125813 /nfs/dbraw/zinc/12/58/13/502125813.db2.gz VQXLFNHWTVYABB-UNMCSNQZSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C1CC1)N1CCCC1 ZINC000461467841 502125817 /nfs/dbraw/zinc/12/58/17/502125817.db2.gz VQXLFNHWTVYABB-UNMCSNQZSA-N 1 3 369.553 3.279 20 0 FGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000482634277 502134366 /nfs/dbraw/zinc/13/43/66/502134366.db2.gz SFQCDRUXFLOTDB-OVQGTLEDSA-N 1 3 357.542 3.298 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccsc1 ZINC000479182911 502185743 /nfs/dbraw/zinc/18/57/43/502185743.db2.gz DAJUAXVAPOMCNK-QZTJIDSGSA-N 1 3 363.502 3.129 20 0 FGADHO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486557880 502189053 /nfs/dbraw/zinc/18/90/53/502189053.db2.gz AAUVKPMNHLEJIA-APJQNUAFSA-N 1 3 356.535 3.424 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280023 502213626 /nfs/dbraw/zinc/21/36/26/502213626.db2.gz JBOCCYWFTXSYID-XWTMOSNGSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280023 502213635 /nfs/dbraw/zinc/21/36/35/502213635.db2.gz JBOCCYWFTXSYID-XWTMOSNGSA-N 1 3 364.534 3.271 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000479349930 502231792 /nfs/dbraw/zinc/23/17/92/502231792.db2.gz UJVZQONAMOJYLD-KPFFTGBYSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000479349930 502231796 /nfs/dbraw/zinc/23/17/96/502231796.db2.gz UJVZQONAMOJYLD-KPFFTGBYSA-N 1 3 360.546 3.017 20 0 FGADHO CC[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008751 502271810 /nfs/dbraw/zinc/27/18/10/502271810.db2.gz IGZPWPGUISSRMJ-NRFANRHFSA-N 1 3 359.558 3.274 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300692 /nfs/dbraw/zinc/30/06/92/502300692.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300697 /nfs/dbraw/zinc/30/06/97/502300697.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000462118147 502314054 /nfs/dbraw/zinc/31/40/54/502314054.db2.gz CYZZFTRIYBGBKQ-MRXNPFEDSA-N 1 3 374.447 3.200 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000475897572 502325155 /nfs/dbraw/zinc/32/51/55/502325155.db2.gz NPEXGZYMNAKOCI-AWEZNQCLSA-N 1 3 355.473 3.022 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653696 502338153 /nfs/dbraw/zinc/33/81/53/502338153.db2.gz FWJRXIHISBQRRT-QUCCMNQESA-N 1 3 360.546 3.114 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653696 502338158 /nfs/dbraw/zinc/33/81/58/502338158.db2.gz FWJRXIHISBQRRT-QUCCMNQESA-N 1 3 360.546 3.114 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000465747693 502369215 /nfs/dbraw/zinc/36/92/15/502369215.db2.gz HNCILGIWFXBYBL-WIYYLYMNSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433404 502390792 /nfs/dbraw/zinc/39/07/92/502390792.db2.gz MSEZSIREMDLNAF-HFTRVMKXSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433404 502390795 /nfs/dbraw/zinc/39/07/95/502390795.db2.gz MSEZSIREMDLNAF-HFTRVMKXSA-N 1 3 366.347 3.348 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435557 502416254 /nfs/dbraw/zinc/41/62/54/502416254.db2.gz CWZJDGCRGMLPAB-RTWAWAEBSA-N 1 3 374.573 3.174 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435557 502416256 /nfs/dbraw/zinc/41/62/56/502416256.db2.gz CWZJDGCRGMLPAB-RTWAWAEBSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558507 502432192 /nfs/dbraw/zinc/43/21/92/502432192.db2.gz JIGPKKFTJBXAHI-NJDAHSKKSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558507 502432193 /nfs/dbraw/zinc/43/21/93/502432193.db2.gz JIGPKKFTJBXAHI-NJDAHSKKSA-N 1 3 357.542 3.086 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466041099 502463213 /nfs/dbraw/zinc/46/32/13/502463213.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466041099 502463216 /nfs/dbraw/zinc/46/32/16/502463216.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000466099974 502478013 /nfs/dbraw/zinc/47/80/13/502478013.db2.gz KIWVTUCEWOZJQN-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484443 /nfs/dbraw/zinc/48/44/43/502484443.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484446 /nfs/dbraw/zinc/48/44/46/502484446.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484979 /nfs/dbraw/zinc/48/49/79/502484979.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 1 3 372.557 3.336 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484984 /nfs/dbraw/zinc/48/49/84/502484984.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000466147888 502489357 /nfs/dbraw/zinc/48/93/57/502489357.db2.gz YRJNABKCMWEDMZ-QUCCMNQESA-N 1 3 360.546 3.067 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008198 502498704 /nfs/dbraw/zinc/49/87/04/502498704.db2.gz ILWVBCWLLWXCEE-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008198 502498707 /nfs/dbraw/zinc/49/87/07/502498707.db2.gz ILWVBCWLLWXCEE-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CCCN1C(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469763688 502536438 /nfs/dbraw/zinc/53/64/38/502536438.db2.gz LEGTXNFSFKQMCJ-QRVBRYPASA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540376 /nfs/dbraw/zinc/54/03/76/502540376.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540383 /nfs/dbraw/zinc/54/03/83/502540383.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000480358325 502546369 /nfs/dbraw/zinc/54/63/69/502546369.db2.gz YSFDTDSJECVSKH-QGZVFWFLSA-N 1 3 362.518 3.013 20 0 FGADHO Cc1cc2cc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857796 502570874 /nfs/dbraw/zinc/57/08/74/502570874.db2.gz XRXZFHNYKWVTPJ-XLIONFOSSA-N 1 3 369.509 3.130 20 0 FGADHO CCSc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000480544873 502598387 /nfs/dbraw/zinc/59/83/87/502598387.db2.gz IIVWLYDTMORLCY-UHFFFAOYSA-N 1 3 361.555 3.087 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000484591103 502678767 /nfs/dbraw/zinc/67/87/67/502678767.db2.gz NGRLZIUBTWHFDP-LXZJYRNTSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000484591103 502678775 /nfs/dbraw/zinc/67/87/75/502678775.db2.gz NGRLZIUBTWHFDP-LXZJYRNTSA-N 1 3 360.546 3.097 20 0 FGADHO O=C(C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000484609928 502681911 /nfs/dbraw/zinc/68/19/11/502681911.db2.gz BCTWYQJVMSPZGC-SFTDATJTSA-N 1 3 355.526 3.045 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915201 502704288 /nfs/dbraw/zinc/70/42/88/502704288.db2.gz WTFVELHMOXVXQO-QFIPXVFZSA-N 1 3 353.485 3.350 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CNC2)c1cccc(OC)c1 ZINC000470366512 502751799 /nfs/dbraw/zinc/75/17/99/502751799.db2.gz XVNCRWPPJTXDAJ-OAQYLSRUSA-N 1 3 367.493 3.111 20 0 FGADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474009944 502778543 /nfs/dbraw/zinc/77/85/43/502778543.db2.gz MPFPNZHFLJNAFV-WSTZPKSXSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984288 502792883 /nfs/dbraw/zinc/79/28/83/502792883.db2.gz CHEUNDGWSJBUNY-XAUMDUMWSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180986 502895278 /nfs/dbraw/zinc/89/52/78/502895278.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180986 502895281 /nfs/dbraw/zinc/89/52/81/502895281.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025618 502915313 /nfs/dbraw/zinc/91/53/13/502915313.db2.gz ZKGGZFJGCSZWJR-OTWHNJEPSA-N 1 3 372.557 3.123 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601130 502945378 /nfs/dbraw/zinc/94/53/78/502945378.db2.gz KFDJTIBMZRWAMK-LZLYRXPVSA-N 1 3 364.534 3.081 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000489435626 502957392 /nfs/dbraw/zinc/95/73/92/502957392.db2.gz XDWAGBLONZVDTN-HKBOAZHASA-N 1 3 372.557 3.304 20 0 FGADHO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000513523324 502958890 /nfs/dbraw/zinc/95/88/90/502958890.db2.gz ZOEXXKKFQCKJBM-LJQANCHMSA-N 1 3 361.505 3.030 20 0 FGADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961128 /nfs/dbraw/zinc/96/11/28/502961128.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 1 3 358.574 3.003 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961133 /nfs/dbraw/zinc/96/11/33/502961133.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 1 3 358.574 3.003 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000489532280 502980007 /nfs/dbraw/zinc/98/00/07/502980007.db2.gz IEVONIFBOAGYCO-CEWLAPEOSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000501489628 503019538 /nfs/dbraw/zinc/01/95/38/503019538.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000501489628 503019541 /nfs/dbraw/zinc/01/95/41/503019541.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 1 3 352.567 3.061 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000501545829 503033598 /nfs/dbraw/zinc/03/35/98/503033598.db2.gz LBUPJUDPFNSFNM-PXNSSMCTSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000501545829 503033601 /nfs/dbraw/zinc/03/36/01/503033601.db2.gz LBUPJUDPFNSFNM-PXNSSMCTSA-N 1 3 360.546 3.025 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000501573997 503041650 /nfs/dbraw/zinc/04/16/50/503041650.db2.gz AHBHEKHSVNKOKD-GOSISDBHSA-N 1 3 360.546 3.060 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510080295 503045124 /nfs/dbraw/zinc/04/51/24/503045124.db2.gz UPYWYIUSGBHJQS-QHCPKHFHSA-N 1 3 371.569 3.419 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N(C)C ZINC000497835709 503051173 /nfs/dbraw/zinc/05/11/73/503051173.db2.gz KEEDKSPZOZTHNG-WFXMLNOXSA-N 1 3 372.557 3.302 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N(C)C ZINC000497835709 503051177 /nfs/dbraw/zinc/05/11/77/503051177.db2.gz KEEDKSPZOZTHNG-WFXMLNOXSA-N 1 3 372.557 3.302 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171629 503121994 /nfs/dbraw/zinc/12/19/94/503121994.db2.gz GHZIECOLGFPUAH-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000514669223 503162509 /nfs/dbraw/zinc/16/25/09/503162509.db2.gz WPRRWOPYAWOOML-JTHBVZDNSA-N 1 3 372.553 3.438 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000506895307 503191305 /nfs/dbraw/zinc/19/13/05/503191305.db2.gz KFZCTGXJJLIVIE-UHFFFAOYSA-N 1 3 350.503 3.266 20 0 FGADHO CN1CCC2(CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000510938866 503220976 /nfs/dbraw/zinc/22/09/76/503220976.db2.gz UVVWWGIASRQFCV-UHFFFAOYSA-N 1 3 362.562 3.053 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@@H]2CCCCN12 ZINC000510999108 503232941 /nfs/dbraw/zinc/23/29/41/503232941.db2.gz ORCXAENYSFCWGU-YXIAPDDASA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@@H]2CCCCN12 ZINC000510999108 503232945 /nfs/dbraw/zinc/23/29/45/503232945.db2.gz ORCXAENYSFCWGU-YXIAPDDASA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H]2CCCCN12 ZINC000510999108 503232946 /nfs/dbraw/zinc/23/29/46/503232946.db2.gz ORCXAENYSFCWGU-YXIAPDDASA-N 1 3 367.537 3.030 20 0 FGADHO CC[NH+](CC)CCOCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000511046583 503241646 /nfs/dbraw/zinc/24/16/46/503241646.db2.gz KXAAUDGLYFOGRN-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000498739918 503253933 /nfs/dbraw/zinc/25/39/33/503253933.db2.gz RDWRRZATXCRBBU-IBGZPJMESA-N 1 3 366.525 3.237 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000502843323 503286457 /nfs/dbraw/zinc/28/64/57/503286457.db2.gz MFYLJUIHONPKNY-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000502843323 503286460 /nfs/dbraw/zinc/28/64/60/503286460.db2.gz MFYLJUIHONPKNY-QUCCMNQESA-N 1 3 360.546 3.101 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000498917845 503293146 /nfs/dbraw/zinc/29/31/46/503293146.db2.gz IHBWGIMBYBMSLD-RYRKJORJSA-N 1 3 351.560 3.414 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000498917844 503293578 /nfs/dbraw/zinc/29/35/78/503293578.db2.gz IHBWGIMBYBMSLD-BQFCYCMXSA-N 1 3 351.560 3.414 20 0 FGADHO COCCC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000515353072 503322637 /nfs/dbraw/zinc/32/26/37/503322637.db2.gz ACWAOZIYSWXJPY-PZJWPPBQSA-N 1 3 360.542 3.320 20 0 FGADHO CCCN(C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000491837532 503333370 /nfs/dbraw/zinc/33/33/70/503333370.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CCCN(C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000491837532 503333374 /nfs/dbraw/zinc/33/33/74/503333374.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000503086533 503344391 /nfs/dbraw/zinc/34/43/91/503344391.db2.gz UUYJNTBCNBIVGO-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000511631650 503357906 /nfs/dbraw/zinc/35/79/06/503357906.db2.gz VOFGEZSRHQGDGA-OAQYLSRUSA-N 1 3 357.542 3.073 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492510953 503372225 /nfs/dbraw/zinc/37/22/25/503372225.db2.gz AHVKGALECDPWCJ-LAUBAEHRSA-N 1 3 352.478 3.473 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C ZINC000499312228 503378567 /nfs/dbraw/zinc/37/85/67/503378567.db2.gz KFMSICABEJWWRG-LMMKCTJWSA-N 1 3 362.562 3.262 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000508032778 503416783 /nfs/dbraw/zinc/41/67/83/503416783.db2.gz MQDLTHWMFLPJMD-LJQANCHMSA-N 1 3 360.546 3.101 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)N(C)C ZINC000493866079 503450653 /nfs/dbraw/zinc/45/06/53/503450653.db2.gz ZOUJZWQVJNJMEG-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@@H+](C)C1CCCC1)N(C)C ZINC000493866079 503450655 /nfs/dbraw/zinc/45/06/55/503450655.db2.gz ZOUJZWQVJNJMEG-FXAWDEMLSA-N 1 3 360.546 3.160 20 0 FGADHO CN1CCC(C[NH2+]C2CC(OCc3ccccc3)C2)(N2CCCCC2)CC1 ZINC000493883945 503452343 /nfs/dbraw/zinc/45/23/43/503452343.db2.gz UDUCAKSHQJRCOF-UHFFFAOYSA-N 1 3 371.569 3.274 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000512247386 503497378 /nfs/dbraw/zinc/49/73/78/503497378.db2.gz YPKBKVVUYOMAFX-APWZRJJASA-N 1 3 365.477 3.132 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479705 503517759 /nfs/dbraw/zinc/51/77/59/503517759.db2.gz ULWYRZROQNWVCE-IRXDYDNUSA-N 1 3 353.510 3.466 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCN2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512430986 503549017 /nfs/dbraw/zinc/54/90/17/503549017.db2.gz WIJKFYZVFNEYTI-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCN2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430986 503549021 /nfs/dbraw/zinc/54/90/21/503549021.db2.gz WIJKFYZVFNEYTI-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508719400 503550789 /nfs/dbraw/zinc/55/07/89/503550789.db2.gz PIBFTLGYQORWSV-IHPCNDPISA-N 1 3 352.478 3.327 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2-c2ccnn2C)C1 ZINC000508856335 503579232 /nfs/dbraw/zinc/57/92/32/503579232.db2.gz AAJILIFHRWJWHH-IBGZPJMESA-N 1 3 356.514 3.020 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)C ZINC000508869452 503583000 /nfs/dbraw/zinc/58/30/00/503583000.db2.gz ICXBZRJUQHILGW-ZVDOUQERSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578291 503588844 /nfs/dbraw/zinc/58/88/44/503588844.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578291 503588850 /nfs/dbraw/zinc/58/88/50/503588850.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 1 3 357.542 3.276 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)N(C)C ZINC000508908434 503597116 /nfs/dbraw/zinc/59/71/16/503597116.db2.gz SLOFVZOENZZDTI-AZUAARDMSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@H](C)O1 ZINC000536710323 503692767 /nfs/dbraw/zinc/69/27/67/503692767.db2.gz QOWBLMZKAAUMTL-IRXDYDNUSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000536710323 503692773 /nfs/dbraw/zinc/69/27/73/503692773.db2.gz QOWBLMZKAAUMTL-IRXDYDNUSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517541678 503766431 /nfs/dbraw/zinc/76/64/31/503766431.db2.gz PKFMINWXBOPYHE-HDICACEKSA-N 1 3 374.573 3.304 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517541678 503766438 /nfs/dbraw/zinc/76/64/38/503766438.db2.gz PKFMINWXBOPYHE-HDICACEKSA-N 1 3 374.573 3.304 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797805 /nfs/dbraw/zinc/79/78/05/503797805.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 1 3 355.526 3.418 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797813 /nfs/dbraw/zinc/79/78/13/503797813.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 1 3 355.526 3.418 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025172 503799011 /nfs/dbraw/zinc/79/90/11/503799011.db2.gz PFGGYTKEBOIKGP-OAQYLSRUSA-N 1 3 355.526 3.032 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517779517 503834679 /nfs/dbraw/zinc/83/46/79/503834679.db2.gz MSCZXWVMBHTKIO-UHFFFAOYSA-N 1 3 361.530 3.011 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628418 503838128 /nfs/dbraw/zinc/83/81/28/503838128.db2.gz ZTEOYXWFCFMCLG-SJLPKXTDSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628418 503838134 /nfs/dbraw/zinc/83/81/34/503838134.db2.gz ZTEOYXWFCFMCLG-SJLPKXTDSA-N 1 3 356.466 3.457 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(CC)CC ZINC000543777248 503888217 /nfs/dbraw/zinc/88/82/17/503888217.db2.gz RMXQGTZDVVLEDS-QHAWAJNXSA-N 1 3 360.542 3.327 20 0 FGADHO Fc1cc(-c2ccncc2)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247901 503893493 /nfs/dbraw/zinc/89/34/93/503893493.db2.gz CQHPJCUBAXHCOQ-NRFANRHFSA-N 1 3 369.484 3.478 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534149 503945120 /nfs/dbraw/zinc/94/51/20/503945120.db2.gz APIIUZWEFHUHKS-XMSQKQJNSA-N 1 3 368.525 3.345 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976268 503961760 /nfs/dbraw/zinc/96/17/60/503961760.db2.gz HFHBWMCCZUWKJE-KJJMTIBFSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976268 503961768 /nfs/dbraw/zinc/96/17/68/503961768.db2.gz HFHBWMCCZUWKJE-KJJMTIBFSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976268 503961773 /nfs/dbraw/zinc/96/17/73/503961773.db2.gz HFHBWMCCZUWKJE-KJJMTIBFSA-N 1 3 358.526 3.072 20 0 FGADHO CCOc1c(OC)cc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977561 /nfs/dbraw/zinc/97/75/61/503977561.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 1 3 350.503 3.407 20 0 FGADHO CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977565 /nfs/dbraw/zinc/97/75/65/503977565.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 1 3 350.503 3.407 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000530664733 504044940 /nfs/dbraw/zinc/04/49/40/504044940.db2.gz VGVDXSLFUDEDQB-OAHLLOKOSA-N 1 3 374.481 3.440 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952500 504094693 /nfs/dbraw/zinc/09/46/93/504094693.db2.gz IDIWRWDVNMLYDT-XMSQKQJNSA-N 1 3 370.541 3.314 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952500 504094698 /nfs/dbraw/zinc/09/46/98/504094698.db2.gz IDIWRWDVNMLYDT-XMSQKQJNSA-N 1 3 370.541 3.314 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358047 504101322 /nfs/dbraw/zinc/10/13/22/504101322.db2.gz JAHKEUUDLLWWPV-QFIPXVFZSA-N 1 3 370.516 3.173 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@@H](C)C1 ZINC000544381941 504110597 /nfs/dbraw/zinc/11/05/97/504110597.db2.gz LFCOIDFMGXIUSX-LVCYWYKZSA-N 1 3 357.542 3.427 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385302 504112728 /nfs/dbraw/zinc/11/27/28/504112728.db2.gz KCFDFVYZUBDXFB-YOEHRIQHSA-N 1 3 358.448 3.373 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385302 504112735 /nfs/dbraw/zinc/11/27/35/504112735.db2.gz KCFDFVYZUBDXFB-YOEHRIQHSA-N 1 3 358.448 3.373 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000544408956 504123305 /nfs/dbraw/zinc/12/33/05/504123305.db2.gz QQDODWISTUDABO-QGZVFWFLSA-N 1 3 354.922 3.193 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000544408956 504123306 /nfs/dbraw/zinc/12/33/06/504123306.db2.gz QQDODWISTUDABO-QGZVFWFLSA-N 1 3 354.922 3.193 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000541535942 504167386 /nfs/dbraw/zinc/16/73/86/504167386.db2.gz YOGYWEQLKHGWHQ-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OCCC4)CC2)CC1 ZINC000519422044 504218292 /nfs/dbraw/zinc/21/82/92/504218292.db2.gz JSYMNCPZPYUQFM-UHFFFAOYSA-N 1 3 371.525 3.146 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519483982 504230757 /nfs/dbraw/zinc/23/07/57/504230757.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519483982 504230760 /nfs/dbraw/zinc/23/07/60/504230760.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccn(C)n1 ZINC000541745531 504241651 /nfs/dbraw/zinc/24/16/51/504241651.db2.gz MEUDWQCRGXELSF-OAQYLSRUSA-N 1 3 369.557 3.372 20 0 FGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600747 504269872 /nfs/dbraw/zinc/26/98/72/504269872.db2.gz PPFMTCCLKOTYNL-UYAOXDASSA-N 1 3 361.505 3.028 20 0 FGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600747 504269878 /nfs/dbraw/zinc/26/98/78/504269878.db2.gz PPFMTCCLKOTYNL-UYAOXDASSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985745 504324334 /nfs/dbraw/zinc/32/43/34/504324334.db2.gz LRNSJJQXYIGLAT-QHAWAJNXSA-N 1 3 355.570 3.282 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985745 504324338 /nfs/dbraw/zinc/32/43/38/504324338.db2.gz LRNSJJQXYIGLAT-QHAWAJNXSA-N 1 3 355.570 3.282 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528712044 504343690 /nfs/dbraw/zinc/34/36/90/504343690.db2.gz BGFAAWONTSRNNF-INIZCTEOSA-N 1 3 374.529 3.191 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528712044 504343694 /nfs/dbraw/zinc/34/36/94/504343694.db2.gz BGFAAWONTSRNNF-INIZCTEOSA-N 1 3 374.529 3.191 20 0 FGADHO CN(CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000531596796 504359033 /nfs/dbraw/zinc/35/90/33/504359033.db2.gz USZPMLXKGRBKOZ-UHFFFAOYSA-N 1 3 366.553 3.443 20 0 FGADHO CN(CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)c1ccccc1 ZINC000531596796 504359038 /nfs/dbraw/zinc/35/90/38/504359038.db2.gz USZPMLXKGRBKOZ-UHFFFAOYSA-N 1 3 366.553 3.443 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21)C1CCN(C)CC1 ZINC000538792583 504372979 /nfs/dbraw/zinc/37/29/79/504372979.db2.gz ZPKOXRAMXWCHNQ-SIKLNZKXSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21)C1CCN(C)CC1 ZINC000538792583 504372983 /nfs/dbraw/zinc/37/29/83/504372983.db2.gz ZPKOXRAMXWCHNQ-SIKLNZKXSA-N 1 3 357.542 3.218 20 0 FGADHO C[C@@H]1C[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977620 504493691 /nfs/dbraw/zinc/49/36/91/504493691.db2.gz FSHBUOPPMXWDEA-PWSUYJOCSA-N 1 3 350.816 3.238 20 0 FGADHO C[C@@H]1C[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977620 504493694 /nfs/dbraw/zinc/49/36/94/504493694.db2.gz FSHBUOPPMXWDEA-PWSUYJOCSA-N 1 3 350.816 3.238 20 0 FGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532218685 504576833 /nfs/dbraw/zinc/57/68/33/504576833.db2.gz JKZQOIIHUCBIFA-STQMWFEESA-N 1 3 356.308 3.096 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000539494971 504589096 /nfs/dbraw/zinc/58/90/96/504589096.db2.gz ATJZGMWAYALKJA-VSKRKVRLSA-N 1 3 369.553 3.136 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1sccc1Br ZINC000532450967 504655150 /nfs/dbraw/zinc/65/51/50/504655150.db2.gz NQABSGHVSFYZHU-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1CN1CCCCC1)CC(C)C ZINC000521522320 504752710 /nfs/dbraw/zinc/75/27/10/504752710.db2.gz XZGVGXFNVZQILB-PMACEKPBSA-N 1 3 366.594 3.403 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765813 /nfs/dbraw/zinc/76/58/13/504765813.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765816 /nfs/dbraw/zinc/76/58/16/504765816.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1cc(C)n(-c2ccc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2)n1 ZINC000565044274 504779769 /nfs/dbraw/zinc/77/97/69/504779769.db2.gz QZROLYSUTHAGRG-VXKWHMMOSA-N 1 3 368.525 3.207 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000553098842 504827103 /nfs/dbraw/zinc/82/71/03/504827103.db2.gz ZKGDNFDWWBLOBC-AZUAARDMSA-N 1 3 373.541 3.106 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000553177499 504845577 /nfs/dbraw/zinc/84/55/77/504845577.db2.gz FJKYJLNXHJLELZ-IBGZPJMESA-N 1 3 371.550 3.419 20 0 FGADHO O=C(CN[C@@H](c1ccc(F)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553258290 504865857 /nfs/dbraw/zinc/86/58/57/504865857.db2.gz KQPCZAGREGNXAH-JOCHJYFZSA-N 1 3 373.516 3.390 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000549750988 504888278 /nfs/dbraw/zinc/88/82/78/504888278.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000549750988 504888279 /nfs/dbraw/zinc/88/82/79/504888279.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 1 3 363.571 3.341 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870578 505001421 /nfs/dbraw/zinc/00/14/21/505001421.db2.gz GRHGWPKYRNRHIM-DNVJHFABSA-N 1 3 371.569 3.370 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886892 505006769 /nfs/dbraw/zinc/00/67/69/505006769.db2.gz PUONXEXFERFYTF-BZSNNMDCSA-N 1 3 356.514 3.270 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553875664 505030304 /nfs/dbraw/zinc/03/03/04/505030304.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553875664 505030306 /nfs/dbraw/zinc/03/03/06/505030306.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 1 3 364.534 3.006 20 0 FGADHO Cc1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000563082773 505041882 /nfs/dbraw/zinc/04/18/82/505041882.db2.gz ODZFGNINHXSCPZ-HKUYNNGSSA-N 1 3 359.514 3.316 20 0 FGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1cccc(N2CCOCC2)c1 ZINC000566092173 505077535 /nfs/dbraw/zinc/07/75/35/505077535.db2.gz QCQQPRAHTXQRCL-WZCXMZMXSA-N 1 3 369.553 3.327 20 0 FGADHO CN1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700349 505086612 /nfs/dbraw/zinc/08/66/12/505086612.db2.gz GASOQRJJKYWSGV-YADHBBJMSA-N 1 3 371.569 3.447 20 0 FGADHO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521585 505113049 /nfs/dbraw/zinc/11/30/49/505113049.db2.gz VZKCIKQXCAQOAT-DHCGTZGXSA-N 1 3 369.553 3.311 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000563350930 505117559 /nfs/dbraw/zinc/11/75/59/505117559.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000563350930 505117561 /nfs/dbraw/zinc/11/75/61/505117561.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000563350930 505117563 /nfs/dbraw/zinc/11/75/63/505117563.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000563350930 505117564 /nfs/dbraw/zinc/11/75/64/505117564.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 1 3 352.526 3.341 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000554449092 505176619 /nfs/dbraw/zinc/17/66/19/505176619.db2.gz ACVHVCJDHDQKOK-HXUWFJFHSA-N 1 3 360.546 3.197 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781602 505185052 /nfs/dbraw/zinc/18/50/52/505185052.db2.gz FLUZQBYCAOKYSA-ROUUACIJSA-N 1 3 358.530 3.019 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3ccncc3F)cc2)CC1 ZINC000551267651 505189791 /nfs/dbraw/zinc/18/97/91/505189791.db2.gz HNZCQRDHYKEHDP-KRWDZBQOSA-N 1 3 356.489 3.209 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607654 505191623 /nfs/dbraw/zinc/19/16/23/505191623.db2.gz CABFWGIYCKSAIT-RBUKOAKNSA-N 1 3 374.916 3.448 20 0 FGADHO CCOc1cc2nccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1OCC ZINC000554523100 505196136 /nfs/dbraw/zinc/19/61/36/505196136.db2.gz IHUZCNFPGXLTLC-HNNXBMFYSA-N 1 3 355.482 3.350 20 0 FGADHO CCOc1cc2nccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2cc1OCC ZINC000554523100 505196142 /nfs/dbraw/zinc/19/61/42/505196142.db2.gz IHUZCNFPGXLTLC-HNNXBMFYSA-N 1 3 355.482 3.350 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CCOC)CC2)CC1 ZINC000557669171 505197866 /nfs/dbraw/zinc/19/78/66/505197866.db2.gz AHLZIZXXNZYJOD-UHFFFAOYSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812182 505236302 /nfs/dbraw/zinc/23/63/02/505236302.db2.gz NEWZPNJSDXZUNU-YHELAOLJSA-N 1 3 370.541 3.090 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COCc2ccccc2Cl)c1 ZINC000566791639 505274162 /nfs/dbraw/zinc/27/41/62/505274162.db2.gz CZUAGYYJQRFPJV-LJQANCHMSA-N 1 3 362.901 3.069 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)c1 ZINC000566791639 505274165 /nfs/dbraw/zinc/27/41/65/505274165.db2.gz CZUAGYYJQRFPJV-LJQANCHMSA-N 1 3 362.901 3.069 20 0 FGADHO CCC[NH+]1CCC(N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699019 505285600 /nfs/dbraw/zinc/28/56/00/505285600.db2.gz JJZZANMMRZTRRH-JOCHJYFZSA-N 1 3 359.558 3.084 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870583 505296688 /nfs/dbraw/zinc/29/66/88/505296688.db2.gz ZTFBSBJWWCDUMD-ILWGZMRPSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@H](c1ccc(Br)cc1)[N@H+](C)CCCN(C)CCN(C)C ZINC000564150389 505337814 /nfs/dbraw/zinc/33/78/14/505337814.db2.gz BCEDRLVCUPBZQZ-OAHLLOKOSA-N 1 3 356.352 3.325 20 0 FGADHO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000564150389 505337819 /nfs/dbraw/zinc/33/78/19/505337819.db2.gz BCEDRLVCUPBZQZ-OAHLLOKOSA-N 1 3 356.352 3.325 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552053978 505382492 /nfs/dbraw/zinc/38/24/92/505382492.db2.gz DMJFXZJOBZTTLU-ANULTFPQSA-N 1 3 359.583 3.066 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552053978 505382495 /nfs/dbraw/zinc/38/24/95/505382495.db2.gz DMJFXZJOBZTTLU-ANULTFPQSA-N 1 3 359.583 3.066 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000558415962 505383199 /nfs/dbraw/zinc/38/31/99/505383199.db2.gz FSYVQRXQMQACKM-FDFHNCONSA-N 1 3 364.489 3.473 20 0 FGADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000564464338 505426753 /nfs/dbraw/zinc/42/67/53/505426753.db2.gz BSFFYEHJHDSALR-ZCNNSNEGSA-N 1 3 371.912 3.062 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccsc2C)CC1 ZINC000552243787 505438981 /nfs/dbraw/zinc/43/89/81/505438981.db2.gz LAVWXZVOZIUFSW-UHFFFAOYSA-N 1 3 351.560 3.117 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000555549726 505454149 /nfs/dbraw/zinc/45/41/49/505454149.db2.gz AGTGQUDMMNGGMK-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO Cn1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611854 505474651 /nfs/dbraw/zinc/47/46/51/505474651.db2.gz DTJDUEVUSPYKCT-OAQYLSRUSA-N 1 3 353.510 3.044 20 0 FGADHO Clc1cccc([C@@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839762 505535052 /nfs/dbraw/zinc/53/50/52/505535052.db2.gz BPOSWFSJOQCPFR-WBVHZDCISA-N 1 3 359.905 3.351 20 0 FGADHO CCc1[nH+]c2ccccc2c(NC[C@@H](C)CN2CCN(CC)CC2)c1C ZINC000562240930 505549688 /nfs/dbraw/zinc/54/96/88/505549688.db2.gz NQMCHFGTZFTBQU-QGZVFWFLSA-N 1 3 354.542 3.213 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000567725671 505550268 /nfs/dbraw/zinc/55/02/68/505550268.db2.gz DXJRARZMLWXTPP-TZIWHRDSSA-N 1 3 360.542 3.294 20 0 FGADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc2ccccc2c1 ZINC000582894728 506476955 /nfs/dbraw/zinc/47/69/55/506476955.db2.gz LZEUQJRQEYDIIA-LEWJYISDSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000612218399 506486083 /nfs/dbraw/zinc/48/60/83/506486083.db2.gz GZQRIPVGCRWCAH-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000608414576 506548931 /nfs/dbraw/zinc/54/89/31/506548931.db2.gz LKKJNKADIZTAAX-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608650978 506649196 /nfs/dbraw/zinc/64/91/96/506649196.db2.gz VQGCYZVBDSVRCQ-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608650978 506649201 /nfs/dbraw/zinc/64/92/01/506649201.db2.gz VQGCYZVBDSVRCQ-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604156963 506729075 /nfs/dbraw/zinc/72/90/75/506729075.db2.gz LHMYKBALDNABEQ-FQEVSTJZSA-N 1 3 360.546 3.245 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604170890 506734001 /nfs/dbraw/zinc/73/40/01/506734001.db2.gz DRBKYUHAXNMWBT-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604170467 506734742 /nfs/dbraw/zinc/73/47/42/506734742.db2.gz CDNMUMKRSNZYPA-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078537 506767000 /nfs/dbraw/zinc/76/70/00/506767000.db2.gz NFEKFTGZCGTRFR-LJQANCHMSA-N 1 3 368.525 3.170 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078537 506767002 /nfs/dbraw/zinc/76/70/02/506767002.db2.gz NFEKFTGZCGTRFR-LJQANCHMSA-N 1 3 368.525 3.170 20 0 FGADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000597133940 506794021 /nfs/dbraw/zinc/79/40/21/506794021.db2.gz YEMOHDINSKOYRZ-INIZCTEOSA-N 1 3 350.890 3.290 20 0 FGADHO C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1)[C@H](C)c1nc2ccccc2s1 ZINC000583625872 506884355 /nfs/dbraw/zinc/88/43/55/506884355.db2.gz QHZLCAJAYMFNDT-QWHCGFSZSA-N 1 3 370.526 3.163 20 0 FGADHO CC[NH+]1CCC(CNCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000583647445 506893920 /nfs/dbraw/zinc/89/39/20/506893920.db2.gz VWIWMOXSCOSWMR-UHFFFAOYSA-N 1 3 359.495 3.360 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)(C)C ZINC000604827038 506958212 /nfs/dbraw/zinc/95/82/12/506958212.db2.gz KGCBZORIQVPMLA-KRWDZBQOSA-N 1 3 354.583 3.116 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN1CCCCC1 ZINC000591073999 507101721 /nfs/dbraw/zinc/10/17/21/507101721.db2.gz WSHALGGFVVAUPB-LJQANCHMSA-N 1 3 373.541 3.156 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN1CCCCC1 ZINC000591073999 507101726 /nfs/dbraw/zinc/10/17/26/507101726.db2.gz WSHALGGFVVAUPB-LJQANCHMSA-N 1 3 373.541 3.156 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000591417868 507243559 /nfs/dbraw/zinc/24/35/59/507243559.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000591417868 507243565 /nfs/dbraw/zinc/24/35/65/507243565.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO COC(=O)COc1c(C)cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C ZINC000594735653 507261233 /nfs/dbraw/zinc/26/12/33/507261233.db2.gz MFHAYYRBCHOTAQ-FQEVSTJZSA-N 1 3 374.525 3.067 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000591538417 507281969 /nfs/dbraw/zinc/28/19/69/507281969.db2.gz RDRNEMBBZHUVOM-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000591538417 507281971 /nfs/dbraw/zinc/28/19/71/507281971.db2.gz RDRNEMBBZHUVOM-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591541848 507283058 /nfs/dbraw/zinc/28/30/58/507283058.db2.gz OGYUQDVZWNNZRD-NHCUHLMSSA-N 1 3 374.573 3.271 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000605988258 507320008 /nfs/dbraw/zinc/32/00/08/507320008.db2.gz JROCWPJBYMNJON-OAQYLSRUSA-N 1 3 374.573 3.333 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000605988258 507320014 /nfs/dbraw/zinc/32/00/14/507320014.db2.gz JROCWPJBYMNJON-OAQYLSRUSA-N 1 3 374.573 3.333 20 0 FGADHO COC(=O)CC1(CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397704 /nfs/dbraw/zinc/39/77/04/507397704.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 1 3 350.528 3.154 20 0 FGADHO COC(=O)CC1(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397713 /nfs/dbraw/zinc/39/77/13/507397713.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 1 3 350.528 3.154 20 0 FGADHO CC(C)N1CC[NH+](CCCN2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000374815715 713945698 /nfs/dbraw/zinc/94/56/98/713945698.db2.gz PLMGEINYKJLFRE-FQEVSTJZSA-N 1 3 351.485 3.112 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462081 713982123 /nfs/dbraw/zinc/98/21/23/713982123.db2.gz BAXBERLKXYAXQN-FGTMMUONSA-N 1 3 353.551 3.484 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOC3CCCCCC3)CC2)CC1 ZINC000420979909 714011790 /nfs/dbraw/zinc/01/17/90/714011790.db2.gz LAJIUTPUUSYOCU-UHFFFAOYSA-N 1 3 351.579 3.218 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOC3CCCCCC3)CC2)CC1 ZINC000420979909 714011793 /nfs/dbraw/zinc/01/17/93/714011793.db2.gz LAJIUTPUUSYOCU-UHFFFAOYSA-N 1 3 351.579 3.218 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000617506263 714663489 /nfs/dbraw/zinc/66/34/89/714663489.db2.gz HTJVBFSMCRIWPI-FHERZECASA-N 1 3 365.484 3.133 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000617506263 714663491 /nfs/dbraw/zinc/66/34/91/714663491.db2.gz HTJVBFSMCRIWPI-FHERZECASA-N 1 3 365.484 3.133 20 0 FGADHO CN1CCN(c2cc(C[NH2+]Cc3csc(C(F)(F)F)c3)ccn2)CC1 ZINC000623359301 715318274 /nfs/dbraw/zinc/31/82/74/715318274.db2.gz LFIKVERLUWPTLE-UHFFFAOYSA-N 1 3 370.444 3.204 20 0 FGADHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000629519683 716302941 /nfs/dbraw/zinc/30/29/41/716302941.db2.gz CIPYEHUPDSYUED-HNNXBMFYSA-N 1 3 361.486 3.424 20 0 FGADHO C[NH2+]CCOCCN(C)Cc1ccc(Br)cc1C(F)(F)F ZINC000629655506 716329920 /nfs/dbraw/zinc/32/99/20/716329920.db2.gz YHKITHRVGLWBPA-UHFFFAOYSA-N 1 3 369.225 3.136 20 0 FGADHO [NH3+]CCCOCCNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629659548 716332187 /nfs/dbraw/zinc/33/21/87/716332187.db2.gz BTDGZFRQFQRSFC-UHFFFAOYSA-N 1 3 361.873 3.047 20 0 FGADHO FC(F)(F)Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000631074370 716560481 /nfs/dbraw/zinc/56/04/81/716560481.db2.gz AZUVUENWZZKMJI-HNNXBMFYSA-N 1 3 356.432 3.382 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647172309 718337903 /nfs/dbraw/zinc/33/79/03/718337903.db2.gz RIILYZMPNKMKDR-UHFFFAOYSA-N 1 3 351.485 3.492 20 0 FGADHO Clc1ccccc1OCCN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411308 718512365 /nfs/dbraw/zinc/51/23/65/718512365.db2.gz HAYPONYTTRYIPT-UHFFFAOYSA-N 1 3 365.949 3.116 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000649684173 718550267 /nfs/dbraw/zinc/55/02/67/718550267.db2.gz HQSJARFJRMIZAL-JKSUJKDBSA-N 1 3 358.404 3.477 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705365 718716423 /nfs/dbraw/zinc/71/64/23/718716423.db2.gz FKGVDJNUOKZWAV-ZMSDIMECSA-N 1 3 368.905 3.076 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](N[C@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709098 718853568 /nfs/dbraw/zinc/85/35/68/718853568.db2.gz KLXQTIHKHPIYQL-YOEHRIQHSA-N 1 3 351.897 3.225 20 0 FGADHO Brc1ccsc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657538117 719668280 /nfs/dbraw/zinc/66/82/80/719668280.db2.gz YMKJOLMEOADGOM-UHFFFAOYSA-N 1 3 373.360 3.491 20 0 FGADHO C[C@@H]1CCCN(Cc2nc(-c3ccc(F)c(F)c3)no2)[C@@H]1CCC[NH3+] ZINC000662317300 720414441 /nfs/dbraw/zinc/41/44/41/720414441.db2.gz PRKCZXCDSDRVSQ-MLGOLLRUSA-N 1 3 350.413 3.354 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000666857783 720991528 /nfs/dbraw/zinc/99/15/28/720991528.db2.gz JGIDMUVNKMQJTH-OLZOCXBDSA-N 1 3 359.392 3.034 20 0 FGADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3nccs3)cc2)C[C@@H]1C ZINC000678733352 721974867 /nfs/dbraw/zinc/97/48/67/721974867.db2.gz IOKNHPYNXBKQMR-IRXDYDNUSA-N 1 3 359.539 3.442 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764469280 723416139 /nfs/dbraw/zinc/41/61/39/723416139.db2.gz OFFNEQUQIJXHFM-CRAIPNDOSA-N 1 3 369.525 3.459 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764469280 723416140 /nfs/dbraw/zinc/41/61/40/723416140.db2.gz OFFNEQUQIJXHFM-CRAIPNDOSA-N 1 3 369.525 3.459 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC000795126448 723565537 /nfs/dbraw/zinc/56/55/37/723565537.db2.gz WJRBJCJIGHDRSD-ROUUACIJSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@@H]21 ZINC000795126448 723565539 /nfs/dbraw/zinc/56/55/39/723565539.db2.gz WJRBJCJIGHDRSD-ROUUACIJSA-N 1 3 351.535 3.194 20 0 FGADHO C[C@@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000796265277 723629307 /nfs/dbraw/zinc/62/93/07/723629307.db2.gz GNOBFBISXFDKQV-AOCRQIFASA-N 1 3 353.551 3.391 20 0 FGADHO C[C@@H]1CN([C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299625 /nfs/dbraw/zinc/29/96/25/725299625.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1CN([C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299626 /nfs/dbraw/zinc/29/96/26/725299626.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 1 3 351.535 3.096 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810417071 725306859 /nfs/dbraw/zinc/30/68/59/725306859.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 1 3 355.542 3.169 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810417071 725306860 /nfs/dbraw/zinc/30/68/60/725306860.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 1 3 355.542 3.169 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666181 729297266 /nfs/dbraw/zinc/29/72/66/729297266.db2.gz HJZIVWUXYJKCIJ-FJIDUMEYSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823666181 729297269 /nfs/dbraw/zinc/29/72/69/729297269.db2.gz HJZIVWUXYJKCIJ-FJIDUMEYSA-N 1 3 351.535 3.381 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699077 729299620 /nfs/dbraw/zinc/29/96/20/729299620.db2.gz ZUDPOVAXFHZTKF-RCCFBDPRSA-N 1 3 353.551 3.344 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000828049288 729439223 /nfs/dbraw/zinc/43/92/23/729439223.db2.gz QPIFBAHEGVMNIG-DLBZAZTESA-N 1 3 366.937 3.204 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000828049288 729439224 /nfs/dbraw/zinc/43/92/24/729439224.db2.gz QPIFBAHEGVMNIG-DLBZAZTESA-N 1 3 366.937 3.204 20 0 FGADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519400 729809602 /nfs/dbraw/zinc/80/96/02/729809602.db2.gz TYUUJJZTJSMEFF-QAPCUYQASA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519402 729809674 /nfs/dbraw/zinc/80/96/74/729809674.db2.gz TYUUJJZTJSMEFF-YJBOKZPZSA-N 1 3 351.535 3.238 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000841079315 730208530 /nfs/dbraw/zinc/20/85/30/730208530.db2.gz LQFZAKMKSVRNHC-QGZVFWFLSA-N 1 3 362.880 3.264 20 0 FGADHO Clc1nccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000850344570 731344880 /nfs/dbraw/zinc/34/48/80/731344880.db2.gz NGLHVAQIFXLBEB-UHFFFAOYSA-N 1 3 358.313 3.369 20 0 FGADHO Cn1c(Cl)nc(Cl)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850362607 731348174 /nfs/dbraw/zinc/34/81/74/731348174.db2.gz QIAKBYGSFOLLKN-UHFFFAOYSA-N 1 3 368.312 3.124 20 0 FGADHO Cn1c(Cl)nc(Cl)c1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362607 731348175 /nfs/dbraw/zinc/34/81/75/731348175.db2.gz QIAKBYGSFOLLKN-UHFFFAOYSA-N 1 3 368.312 3.124 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853239151 731686220 /nfs/dbraw/zinc/68/62/20/731686220.db2.gz BHDBEGVTDJWYPK-ZACQAIPSSA-N 1 3 358.473 3.065 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cnc21 ZINC000865438286 733201125 /nfs/dbraw/zinc/20/11/25/733201125.db2.gz RPNPGDFVPAKBGO-HNNXBMFYSA-N 1 3 355.511 3.032 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cnc21 ZINC000865438286 733201129 /nfs/dbraw/zinc/20/11/29/733201129.db2.gz RPNPGDFVPAKBGO-HNNXBMFYSA-N 1 3 355.511 3.032 20 0 FGADHO C[N@@H+]1CCCC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641076 733243696 /nfs/dbraw/zinc/24/36/96/733243696.db2.gz SMCOCTUVRQTWBG-KGLIPLIRSA-N 1 3 367.456 3.154 20 0 FGADHO C[N@H+]1CCCC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641076 733243698 /nfs/dbraw/zinc/24/36/98/733243698.db2.gz SMCOCTUVRQTWBG-KGLIPLIRSA-N 1 3 367.456 3.154 20 0 FGADHO CN1CCCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641076 733243701 /nfs/dbraw/zinc/24/37/01/733243701.db2.gz SMCOCTUVRQTWBG-KGLIPLIRSA-N 1 3 367.456 3.154 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cc4c(ccnc4Cl)o3)CC2)CC1 ZINC000876992098 736172059 /nfs/dbraw/zinc/17/20/59/736172059.db2.gz LBGLWDPEJLZKIZ-UHFFFAOYSA-N 1 3 362.905 3.129 20 0 FGADHO CCOC(=O)N1CCC(C)(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000877083740 736185673 /nfs/dbraw/zinc/18/56/73/736185673.db2.gz PEBNBFWCFBMOFM-UHFFFAOYSA-N 1 3 351.535 3.242 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC(C)(C)CC(F)(F)F)CC2)CC1 ZINC000878553872 736886527 /nfs/dbraw/zinc/88/65/27/736886527.db2.gz UQNVZIMBMOASMZ-UHFFFAOYSA-N 1 3 363.468 3.030 20 0 FGADHO C(=C\C[N@@H+]1CC[C@H](c2nccs2)C1)\CN1CC[C@H](c2nccs2)C1 ZINC000880319179 737154475 /nfs/dbraw/zinc/15/44/75/737154475.db2.gz CCPUHYXATKEPEP-GTVVJKOOSA-N 1 3 360.552 3.435 20 0 FGADHO C(=C\C[N@H+]1CC[C@H](c2nccs2)C1)\CN1CC[C@H](c2nccs2)C1 ZINC000880319179 737154478 /nfs/dbraw/zinc/15/44/78/737154478.db2.gz CCPUHYXATKEPEP-GTVVJKOOSA-N 1 3 360.552 3.435 20 0 FGADHO C[NH+](C)CCOc1cc(CNCc2cc3c(cccc3O)s2)ccn1 ZINC000894412404 742279610 /nfs/dbraw/zinc/27/96/10/742279610.db2.gz DBVSEJCWYLZYSV-UHFFFAOYSA-N 1 3 357.479 3.232 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454898 742285820 /nfs/dbraw/zinc/28/58/20/742285820.db2.gz BRVMVSOVWWYBPD-CAOSSQGBSA-N 1 3 364.452 3.217 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345542 743734609 /nfs/dbraw/zinc/73/46/09/743734609.db2.gz DAQGXHAPWNKLRW-HDMKZQKVSA-N 1 3 374.497 3.080 20 0 FGADHO [NH3+][C@@H](CC(F)F)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906804 743895318 /nfs/dbraw/zinc/89/53/18/743895318.db2.gz ZDKNARCAXOMYOC-HNNXBMFYSA-N 1 3 365.390 3.196 20 0 FGADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488555 759130591 /nfs/dbraw/zinc/13/05/91/759130591.db2.gz CEXJQFOSJHDXQY-CXAGYDPISA-N 1 3 370.324 3.328 20 0 FGADHO CN(C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000924893630 759413535 /nfs/dbraw/zinc/41/35/35/759413535.db2.gz SWFIWVGDVWNLLF-UHFFFAOYSA-N 1 3 357.420 3.437 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925653462 759517502 /nfs/dbraw/zinc/51/75/02/759517502.db2.gz LSTTUJOATDVLOY-IRXDYDNUSA-N 1 3 369.351 3.184 20 0 FGADHO CC(C)CCN1CCC([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000926834913 759830338 /nfs/dbraw/zinc/83/03/38/759830338.db2.gz UGYYHWMPLHCHIY-UHFFFAOYSA-N 1 3 353.551 3.390 20 0 FGADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234612 /nfs/dbraw/zinc/23/46/12/766234612.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 1 3 363.571 3.176 20 0 FGADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234614 /nfs/dbraw/zinc/23/46/14/766234614.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 1 3 363.571 3.176 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3ccccc3C)CC2)CC1 ZINC000570864535 505598560 /nfs/dbraw/zinc/59/85/60/505598560.db2.gz VMNUZLSUAVRARF-IBGZPJMESA-N 1 3 371.569 3.239 20 0 FGADHO CCSCC[C@H](C)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568106662 505617727 /nfs/dbraw/zinc/61/77/27/505617727.db2.gz UOXGHRYBOBTNNP-KRWDZBQOSA-N 1 3 369.619 3.173 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000570943250 505617881 /nfs/dbraw/zinc/61/78/81/505617881.db2.gz RMORGSRXXSQAFD-SXLOBPIMSA-N 1 3 373.541 3.211 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000571146812 505664651 /nfs/dbraw/zinc/66/46/51/505664651.db2.gz NWAIMKDRKQUVIA-PMACEKPBSA-N 1 3 354.498 3.103 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000571146815 505664686 /nfs/dbraw/zinc/66/46/86/505664686.db2.gz NWAIMKDRKQUVIA-VQTJNVASSA-N 1 3 354.498 3.103 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000577146966 505672813 /nfs/dbraw/zinc/67/28/13/505672813.db2.gz VEPMEMXEBUXDIG-AEFFLSMTSA-N 1 3 351.560 3.422 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000047978709 493769622 /nfs/dbraw/zinc/76/96/22/493769622.db2.gz PMPPAUCIAALOOL-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000047978709 493769624 /nfs/dbraw/zinc/76/96/24/493769624.db2.gz PMPPAUCIAALOOL-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccsc1 ZINC000076057490 493814960 /nfs/dbraw/zinc/81/49/60/493814960.db2.gz ONDGEVPCSGPAQY-GOSISDBHSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccsc1 ZINC000076057490 493814964 /nfs/dbraw/zinc/81/49/64/493814964.db2.gz ONDGEVPCSGPAQY-GOSISDBHSA-N 1 3 366.575 3.257 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324693 493865468 /nfs/dbraw/zinc/86/54/68/493865468.db2.gz UZGHQZKAAXIZGI-INIZCTEOSA-N 1 3 363.521 3.303 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000069204855 493936297 /nfs/dbraw/zinc/93/62/97/493936297.db2.gz UYNZXRCXVLRSSJ-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000060798176 493955152 /nfs/dbraw/zinc/95/51/52/493955152.db2.gz PFLSFTAOAUHVRG-FPOVZHCZSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000060798176 493955156 /nfs/dbraw/zinc/95/51/56/493955156.db2.gz PFLSFTAOAUHVRG-FPOVZHCZSA-N 1 3 372.557 3.306 20 0 FGADHO CC(C)N1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000069733858 494004462 /nfs/dbraw/zinc/00/44/62/494004462.db2.gz ZDNITEFEZZUMKO-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052524371 494035682 /nfs/dbraw/zinc/03/56/82/494035682.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052524371 494035686 /nfs/dbraw/zinc/03/56/86/494035686.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000071935822 494110275 /nfs/dbraw/zinc/11/02/75/494110275.db2.gz RPSJKOKEQKSDLC-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085366863 494117470 /nfs/dbraw/zinc/11/74/70/494117470.db2.gz NJKBRVNMZYYPBB-QGZVFWFLSA-N 1 3 362.562 3.256 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000085388347 494119830 /nfs/dbraw/zinc/11/98/30/494119830.db2.gz XXZUXGYRIKVWFV-FXAWDEMLSA-N 1 3 360.546 3.010 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000077779859 494176056 /nfs/dbraw/zinc/17/60/56/494176056.db2.gz BNGCQQLZNISJEM-SFHVURJKSA-N 1 3 366.525 3.048 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)Cn2ccnc2C)CC1 ZINC000088702304 494256870 /nfs/dbraw/zinc/25/68/70/494256870.db2.gz UIVIXOBOBOOONA-IBGZPJMESA-N 1 3 369.557 3.149 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000078714974 494347922 /nfs/dbraw/zinc/34/79/22/494347922.db2.gz VPMRFZXLCCSDAP-MRXNPFEDSA-N 1 3 357.498 3.345 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000078714974 494347926 /nfs/dbraw/zinc/34/79/26/494347926.db2.gz VPMRFZXLCCSDAP-MRXNPFEDSA-N 1 3 357.498 3.345 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000073666514 494409560 /nfs/dbraw/zinc/40/95/60/494409560.db2.gz ZYSHLCVPDLNINK-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000073666514 494409564 /nfs/dbraw/zinc/40/95/64/494409564.db2.gz ZYSHLCVPDLNINK-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028620 494431488 /nfs/dbraw/zinc/43/14/88/494431488.db2.gz SKCQTTNKJYQGCT-KRWDZBQOSA-N 1 3 371.550 3.295 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000090038564 494431691 /nfs/dbraw/zinc/43/16/91/494431691.db2.gz BSOGAIKTGFNHLK-CQSZACIVSA-N 1 3 374.554 3.156 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402815 505720323 /nfs/dbraw/zinc/72/03/23/505720323.db2.gz PGSHNDXKTOLDPY-SIKLNZKXSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402815 505720328 /nfs/dbraw/zinc/72/03/28/505720328.db2.gz PGSHNDXKTOLDPY-SIKLNZKXSA-N 1 3 365.521 3.368 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000079554671 494479618 /nfs/dbraw/zinc/47/96/18/494479618.db2.gz PJNAEKHZSKMDMR-OAQYLSRUSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000090937015 494504142 /nfs/dbraw/zinc/50/41/42/494504142.db2.gz RYTWCTMYGMXZMD-AWEZNQCLSA-N 1 3 365.424 3.474 20 0 FGADHO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000090964763 494506579 /nfs/dbraw/zinc/50/65/79/494506579.db2.gz QFMJLBHWWYMHDY-APWZRJJASA-N 1 3 370.493 3.290 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074265201 494507027 /nfs/dbraw/zinc/50/70/27/494507027.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074265201 494507031 /nfs/dbraw/zinc/50/70/31/494507031.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1CN1CCCCC1)C[NH+]1CCCC1 ZINC000079925536 494551024 /nfs/dbraw/zinc/55/10/24/494551024.db2.gz SRBYECMARDDKED-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945207 494553695 /nfs/dbraw/zinc/55/36/95/494553695.db2.gz SNBDIYPDDBKEGH-WIYYLYMNSA-N 1 3 357.542 3.276 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333555 494583870 /nfs/dbraw/zinc/58/38/70/494583870.db2.gz FQHGIUBUGQGDIK-ICSRJNTNSA-N 1 3 361.505 3.234 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333555 494583880 /nfs/dbraw/zinc/58/38/80/494583880.db2.gz FQHGIUBUGQGDIK-ICSRJNTNSA-N 1 3 361.505 3.234 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118257 494602860 /nfs/dbraw/zinc/60/28/60/494602860.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000080118257 494602861 /nfs/dbraw/zinc/60/28/61/494602861.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000568593901 505731152 /nfs/dbraw/zinc/73/11/52/505731152.db2.gz KUCOIIOIXFHMIW-YPAWHYETSA-N 1 3 363.505 3.318 20 0 FGADHO C[S@@](=O)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000080344579 494681705 /nfs/dbraw/zinc/68/17/05/494681705.db2.gz QWIJNTSWFVHSNX-SANMLTNESA-N 1 3 372.534 3.188 20 0 FGADHO CCC[C@@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821458 494763834 /nfs/dbraw/zinc/76/38/34/494763834.db2.gz QNWRXXFIHCVTER-MSOLQXFVSA-N 1 3 360.546 3.313 20 0 FGADHO C[C@H](C(=O)N1CCC(C)CC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821108 494764004 /nfs/dbraw/zinc/76/40/04/494764004.db2.gz XXVCVDUQTPJZFF-LJQANCHMSA-N 1 3 372.557 3.267 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCc3ccc(C[NH3+])cc3)c2C)cc1 ZINC000568632437 505741069 /nfs/dbraw/zinc/74/10/69/505741069.db2.gz QBISVYLINPFFJO-UHFFFAOYSA-N 1 3 364.493 3.305 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000116434530 494784489 /nfs/dbraw/zinc/78/44/89/494784489.db2.gz UXVHLODQNOLQEH-IBGZPJMESA-N 1 3 372.557 3.387 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126553742 494787503 /nfs/dbraw/zinc/78/75/03/494787503.db2.gz NKIUWJZMBRCKAA-APWZRJJASA-N 1 3 365.949 3.478 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662461 494814650 /nfs/dbraw/zinc/81/46/50/494814650.db2.gz CHFYNXZIYVXUTQ-ICSRJNTNSA-N 1 3 373.541 3.201 20 0 FGADHO Cc1nn(-c2ccccc2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734942 494914501 /nfs/dbraw/zinc/91/45/01/494914501.db2.gz WNZZGFFGQPDLJC-UHFFFAOYSA-N 1 3 368.525 3.258 20 0 FGADHO COc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844304 494927242 /nfs/dbraw/zinc/92/72/42/494927242.db2.gz ANDDLMNJRWJSFQ-CALCHBBNSA-N 1 3 362.514 3.112 20 0 FGADHO COc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844304 494927246 /nfs/dbraw/zinc/92/72/46/494927246.db2.gz ANDDLMNJRWJSFQ-CALCHBBNSA-N 1 3 362.514 3.112 20 0 FGADHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132921011 494943066 /nfs/dbraw/zinc/94/30/66/494943066.db2.gz KSSGUBYHJVAHDH-APWZRJJASA-N 1 3 362.514 3.245 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CN1C1CC1 ZINC000127460426 494947959 /nfs/dbraw/zinc/94/79/59/494947959.db2.gz DDURJXHYUMWRIL-PXNSSMCTSA-N 1 3 370.541 3.097 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132973999 494950368 /nfs/dbraw/zinc/95/03/68/494950368.db2.gz JVEXLDDVVREIRX-HKUYNNGSSA-N 1 3 368.525 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132973999 494950371 /nfs/dbraw/zinc/95/03/71/494950371.db2.gz JVEXLDDVVREIRX-HKUYNNGSSA-N 1 3 368.525 3.332 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144349 495061390 /nfs/dbraw/zinc/06/13/90/495061390.db2.gz ZLWCPCNMKOBCDV-RHSMWYFYSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128431499 495095508 /nfs/dbraw/zinc/09/55/08/495095508.db2.gz AZFCBVJKKDVQKU-QGZVFWFLSA-N 1 3 369.500 3.226 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702469 495137885 /nfs/dbraw/zinc/13/78/85/495137885.db2.gz QAQZIIZYKZSVJW-LJQANCHMSA-N 1 3 352.526 3.427 20 0 FGADHO CC(C)CN(CC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000129049298 495188653 /nfs/dbraw/zinc/18/86/53/495188653.db2.gz KKYKWILZBOYXKD-UHFFFAOYSA-N 1 3 366.594 3.259 20 0 FGADHO CC(C)[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000103077349 495190534 /nfs/dbraw/zinc/19/05/34/495190534.db2.gz AJEOARHXRNFLGL-QFIPXVFZSA-N 1 3 371.569 3.491 20 0 FGADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204074 /nfs/dbraw/zinc/20/40/74/495204074.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 1 3 353.514 3.015 20 0 FGADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204079 /nfs/dbraw/zinc/20/40/79/495204079.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 1 3 353.514 3.015 20 0 FGADHO C[NH+](C)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515826 495309135 /nfs/dbraw/zinc/30/91/35/495309135.db2.gz SPRWIBWPMJQWEC-ROUUACIJSA-N 1 3 351.494 3.039 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136860329 495406256 /nfs/dbraw/zinc/40/62/56/495406256.db2.gz KDNIHESSEFAQLM-IBGZPJMESA-N 1 3 364.578 3.301 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136860329 495406259 /nfs/dbraw/zinc/40/62/59/495406259.db2.gz KDNIHESSEFAQLM-IBGZPJMESA-N 1 3 364.578 3.301 20 0 FGADHO CCOc1ccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000137069414 495421582 /nfs/dbraw/zinc/42/15/82/495421582.db2.gz OTCOGCGMDAJRFH-UHFFFAOYSA-N 1 3 359.514 3.222 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335729 495427884 /nfs/dbraw/zinc/42/78/84/495427884.db2.gz AXXOWFCCWDLROM-RTWAWAEBSA-N 1 3 370.585 3.112 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000131127645 495495754 /nfs/dbraw/zinc/49/57/54/495495754.db2.gz RFGBDQBUTSTUGF-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000141766632 495510355 /nfs/dbraw/zinc/51/03/55/495510355.db2.gz CUVMNDYAPPNPCK-OAQYLSRUSA-N 1 3 372.557 3.304 20 0 FGADHO C[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564833 495539777 /nfs/dbraw/zinc/53/97/77/495539777.db2.gz FKLDNRZFWAAQOM-BZSNNMDCSA-N 1 3 366.571 3.499 20 0 FGADHO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154257322 495559369 /nfs/dbraw/zinc/55/93/69/495559369.db2.gz KRLDKSKCGMKZNI-MRXNPFEDSA-N 1 3 353.938 3.417 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCC(C)CC1 ZINC000176276943 495575099 /nfs/dbraw/zinc/57/50/99/495575099.db2.gz UZVJBQDLJTUECD-SFHVURJKSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000185438036 495577164 /nfs/dbraw/zinc/57/71/64/495577164.db2.gz GNLFJJZGZUPSDD-INIZCTEOSA-N 1 3 357.498 3.489 20 0 FGADHO OC[C@@]1(CNC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000571693981 505791930 /nfs/dbraw/zinc/79/19/30/505791930.db2.gz FDOMTMJSHJVRRK-ZEQRLZLVSA-N 1 3 364.533 3.449 20 0 FGADHO C[C@H](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709506 495672773 /nfs/dbraw/zinc/67/27/73/495672773.db2.gz IFVPFCABORCSOT-HXUWFJFHSA-N 1 3 372.557 3.168 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1)C(C)C ZINC000159204186 495682902 /nfs/dbraw/zinc/68/29/02/495682902.db2.gz IIXZMYDUZIODTA-UHFFFAOYSA-N 1 3 366.509 3.274 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1)C(C)C ZINC000159204186 495682904 /nfs/dbraw/zinc/68/29/04/495682904.db2.gz IIXZMYDUZIODTA-UHFFFAOYSA-N 1 3 366.509 3.274 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000150958030 495694661 /nfs/dbraw/zinc/69/46/61/495694661.db2.gz NHDYYNOCUCYIRQ-SFHVURJKSA-N 1 3 351.922 3.169 20 0 FGADHO COc1cc(-c2ccccc2)ccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000183066936 495821213 /nfs/dbraw/zinc/82/12/13/495821213.db2.gz DIUPIKLUKPKXCP-UHFFFAOYSA-N 1 3 367.537 3.478 20 0 FGADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1CCCCC1 ZINC000171434882 495872385 /nfs/dbraw/zinc/87/23/85/495872385.db2.gz UNYRJVHYNKOEHP-QFIPXVFZSA-N 1 3 371.569 3.320 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000155209640 495877998 /nfs/dbraw/zinc/87/79/98/495877998.db2.gz ZJNWUKCOOMVYAJ-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000186209778 495897009 /nfs/dbraw/zinc/89/70/09/495897009.db2.gz SVUNAVWJOYVKGB-KRWDZBQOSA-N 1 3 374.529 3.088 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316165 495906704 /nfs/dbraw/zinc/90/67/04/495906704.db2.gz OCIUQOPRYIFGRP-BGYRXZFFSA-N 1 3 359.558 3.130 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171575796 495932438 /nfs/dbraw/zinc/93/24/38/495932438.db2.gz JIEGNIDOWMDFSR-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000183349811 495942973 /nfs/dbraw/zinc/94/29/73/495942973.db2.gz WIFJYADDVPDRMP-MRXNPFEDSA-N 1 3 374.447 3.200 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000155507811 495977921 /nfs/dbraw/zinc/97/79/21/495977921.db2.gz AZMPMZCERXLBFT-SFHVURJKSA-N 1 3 357.523 3.377 20 0 FGADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000155593673 496006889 /nfs/dbraw/zinc/00/68/89/496006889.db2.gz KDNOHESRHFOWSU-QAPCUYQASA-N 1 3 353.938 3.415 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000177521689 496095521 /nfs/dbraw/zinc/09/55/21/496095521.db2.gz YRYGEGXKHJGBOU-SFTDATJTSA-N 1 3 369.553 3.198 20 0 FGADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000568980185 505823237 /nfs/dbraw/zinc/82/32/37/505823237.db2.gz YJFHGIYTZDJZGX-INIZCTEOSA-N 1 3 351.494 3.233 20 0 FGADHO Cc1ccc(C2CC([NH2+]Cc3ccc(C(=O)NCCN(C)C)cc3)C2)cc1 ZINC000180714730 496115113 /nfs/dbraw/zinc/11/51/13/496115113.db2.gz CTSACQCHUXMOSQ-UHFFFAOYSA-N 1 3 365.521 3.322 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177655893 496148534 /nfs/dbraw/zinc/14/85/34/496148534.db2.gz DCSIRPUEZQWTRA-NRFANRHFSA-N 1 3 369.553 3.206 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177655893 496148538 /nfs/dbraw/zinc/14/85/38/496148538.db2.gz DCSIRPUEZQWTRA-NRFANRHFSA-N 1 3 369.553 3.206 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(OC(F)F)c1 ZINC000172191869 496201661 /nfs/dbraw/zinc/20/16/61/496201661.db2.gz JCSORNDMQCKZNY-GJZGRUSLSA-N 1 3 372.456 3.276 20 0 FGADHO C[C@H](c1cccc(Br)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180931849 496204952 /nfs/dbraw/zinc/20/49/52/496204952.db2.gz XVFMVMVBTKELHM-OAHLLOKOSA-N 1 3 368.363 3.468 20 0 FGADHO C[C@H](c1cccc(Br)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180931849 496204954 /nfs/dbraw/zinc/20/49/54/496204954.db2.gz XVFMVMVBTKELHM-OAHLLOKOSA-N 1 3 368.363 3.468 20 0 FGADHO Cc1csc(N2CCC([NH2+]Cc3cccc(OCCN(C)C)c3)CC2)n1 ZINC000162545756 496370790 /nfs/dbraw/zinc/37/07/90/496370790.db2.gz WWANKLUKQNBMSI-UHFFFAOYSA-N 1 3 374.554 3.151 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508836 496417479 /nfs/dbraw/zinc/41/74/79/496417479.db2.gz JUSYTSMOPFCOCC-KSZLIROESA-N 1 3 358.530 3.028 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508836 496417485 /nfs/dbraw/zinc/41/74/85/496417485.db2.gz JUSYTSMOPFCOCC-KSZLIROESA-N 1 3 358.530 3.028 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000162870446 496425299 /nfs/dbraw/zinc/42/52/99/496425299.db2.gz JBDDSZQYCCAKJH-BBWFWOEESA-N 1 3 351.510 3.432 20 0 FGADHO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000162875443 496427197 /nfs/dbraw/zinc/42/71/97/496427197.db2.gz KAZLIBACXNTVAT-BKNYKGDCSA-N 1 3 366.571 3.357 20 0 FGADHO C[C@@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025974 505844695 /nfs/dbraw/zinc/84/46/95/505844695.db2.gz LKDTTZQBBMVUPU-PMACEKPBSA-N 1 3 366.933 3.034 20 0 FGADHO C[C@@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025974 505844697 /nfs/dbraw/zinc/84/46/97/505844697.db2.gz LKDTTZQBBMVUPU-PMACEKPBSA-N 1 3 366.933 3.034 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181569674 496450324 /nfs/dbraw/zinc/45/03/24/496450324.db2.gz NXWPXWJBHMXQFY-INIZCTEOSA-N 1 3 374.447 3.109 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000187481053 496460004 /nfs/dbraw/zinc/46/00/04/496460004.db2.gz ITRYATCGAQXHOH-OAQYLSRUSA-N 1 3 374.573 3.315 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000163126516 496469134 /nfs/dbraw/zinc/46/91/34/496469134.db2.gz AUDFKFDGRFFGOZ-HOTGVXAUSA-N 1 3 373.463 3.162 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3NCCc4ccccc43)ccc21 ZINC000569083642 505848200 /nfs/dbraw/zinc/84/82/00/505848200.db2.gz HBVXJKWCMKQYTO-RTWAWAEBSA-N 1 3 364.493 3.244 20 0 FGADHO CCc1ccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000163599886 496536378 /nfs/dbraw/zinc/53/63/78/496536378.db2.gz XSUTUABUCMEJLE-RTWAWAEBSA-N 1 3 353.510 3.448 20 0 FGADHO Cc1nccnc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000187847115 496593412 /nfs/dbraw/zinc/59/34/12/496593412.db2.gz AATCBTQHVIAVSK-GOSISDBHSA-N 1 3 353.514 3.038 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000164583077 496621098 /nfs/dbraw/zinc/62/10/98/496621098.db2.gz ZAFPMQAOBOOONU-QFIPXVFZSA-N 1 3 365.521 3.105 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000175967398 496621908 /nfs/dbraw/zinc/62/19/08/496621908.db2.gz VCRMYLGRWIKKTD-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000175967398 496621914 /nfs/dbraw/zinc/62/19/14/496621914.db2.gz VCRMYLGRWIKKTD-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000164948275 496641362 /nfs/dbraw/zinc/64/13/62/496641362.db2.gz VKFGXQNYVZWOBT-FGZHOGPDSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000165321279 496656162 /nfs/dbraw/zinc/65/61/62/496656162.db2.gz OBYYLLIDMIKXSN-MRXNPFEDSA-N 1 3 363.933 3.266 20 0 FGADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414825 496686446 /nfs/dbraw/zinc/68/64/46/496686446.db2.gz LRJUBHXYLGRACW-YPAWHYETSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@@H](C(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414825 496686454 /nfs/dbraw/zinc/68/64/54/496686454.db2.gz LRJUBHXYLGRACW-YPAWHYETSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@@H](C(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414825 496686461 /nfs/dbraw/zinc/68/64/61/496686461.db2.gz LRJUBHXYLGRACW-YPAWHYETSA-N 1 3 369.553 3.388 20 0 FGADHO C[C@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000168767162 496711740 /nfs/dbraw/zinc/71/17/40/496711740.db2.gz KYJBYWRDVHWOAC-JXFKEZNVSA-N 1 3 355.482 3.292 20 0 FGADHO Cc1cc2cc([C@H](C)[NH2+]CCCCN3CCN(CCO)CC3)oc2cc1C ZINC000168899951 496712731 /nfs/dbraw/zinc/71/27/31/496712731.db2.gz VQDAQXBITPSCCY-IBGZPJMESA-N 1 3 373.541 3.090 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247061991 496766397 /nfs/dbraw/zinc/76/63/97/496766397.db2.gz PONDWBPJYRNQDB-TXCZRRACSA-N 1 3 351.922 3.246 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247061991 496766399 /nfs/dbraw/zinc/76/63/99/496766399.db2.gz PONDWBPJYRNQDB-TXCZRRACSA-N 1 3 351.922 3.246 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CCCOCc3ccccc3)CC2)CC1 ZINC000273317810 496772776 /nfs/dbraw/zinc/77/27/76/496772776.db2.gz ORYWAUUERQIUES-UHFFFAOYSA-N 1 3 359.558 3.084 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000273342309 496778631 /nfs/dbraw/zinc/77/86/31/496778631.db2.gz AQIGHNXFCRKAFD-NQIIRXRSSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1cccn1 ZINC000268768028 496779439 /nfs/dbraw/zinc/77/94/39/496779439.db2.gz OOGBJMCKHONRST-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1-n1cccn1 ZINC000268768028 496779442 /nfs/dbraw/zinc/77/94/42/496779442.db2.gz OOGBJMCKHONRST-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134459 496830142 /nfs/dbraw/zinc/83/01/42/496830142.db2.gz GDGJNBQPUYRTAG-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134459 496830147 /nfs/dbraw/zinc/83/01/47/496830147.db2.gz GDGJNBQPUYRTAG-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980234 496841395 /nfs/dbraw/zinc/84/13/95/496841395.db2.gz CSKPNLCSNVMDEM-ZWKOTPCHSA-N 1 3 354.498 3.024 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264394138 496890654 /nfs/dbraw/zinc/89/06/54/496890654.db2.gz AKRLYJIOELJHQB-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000195342259 496895506 /nfs/dbraw/zinc/89/55/06/496895506.db2.gz UPYMJZWACKMGMK-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000248043593 496948136 /nfs/dbraw/zinc/94/81/36/496948136.db2.gz UKAUEDRXJPLGLO-FIKGOQFSSA-N 1 3 361.530 3.433 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985611 496953833 /nfs/dbraw/zinc/95/38/33/496953833.db2.gz IZMZACDIPOXSGK-HXUWFJFHSA-N 1 3 356.510 3.316 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985611 496953838 /nfs/dbraw/zinc/95/38/38/496953838.db2.gz IZMZACDIPOXSGK-HXUWFJFHSA-N 1 3 356.510 3.316 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409293 497001144 /nfs/dbraw/zinc/00/11/44/497001144.db2.gz WMLGQKNWNRYRHO-ACIOBRDBSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000189093383 497006045 /nfs/dbraw/zinc/00/60/45/497006045.db2.gz SBAUAQQWDCCCKT-HDICACEKSA-N 1 3 374.504 3.050 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000265442959 497120898 /nfs/dbraw/zinc/12/08/98/497120898.db2.gz QRJCZZFXKUTDRS-UHFFFAOYSA-N 1 3 369.525 3.461 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270434705 497127705 /nfs/dbraw/zinc/12/77/05/497127705.db2.gz JGPULVIRSKAVNX-LBPRGKRZSA-N 1 3 359.345 3.252 20 0 FGADHO CC(C)(CNC(=O)C[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236658301 497128858 /nfs/dbraw/zinc/12/88/58/497128858.db2.gz KIRACDLGQDBTSI-HXUWFJFHSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236659186 497129085 /nfs/dbraw/zinc/12/90/85/497129085.db2.gz IVPUEAIWXOAGDM-GCJKJVERSA-N 1 3 371.569 3.211 20 0 FGADHO C[C@H](Cc1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000236709127 497136224 /nfs/dbraw/zinc/13/62/24/497136224.db2.gz CCZNXYYVWCLIEK-QAPCUYQASA-N 1 3 369.347 3.063 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248924817 497136658 /nfs/dbraw/zinc/13/66/58/497136658.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248924817 497136661 /nfs/dbraw/zinc/13/66/61/497136661.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 1 3 372.557 3.021 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@H](N)c2ccccc2)c1 ZINC000236923728 497168905 /nfs/dbraw/zinc/16/89/05/497168905.db2.gz UIADQSKOHIBMFS-UTKZUKDTSA-N 1 3 353.510 3.481 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000249734723 497239762 /nfs/dbraw/zinc/23/97/62/497239762.db2.gz DNMFMDXAQGJNJU-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000249734723 497239765 /nfs/dbraw/zinc/23/97/65/497239765.db2.gz DNMFMDXAQGJNJU-AZUAARDMSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000237490431 497246137 /nfs/dbraw/zinc/24/61/37/497246137.db2.gz RJYKWPCILKESHN-YYDGMXKLSA-N 1 3 369.553 3.419 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H](N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235775 505894917 /nfs/dbraw/zinc/89/49/17/505894917.db2.gz XNYKBLANJXVWBD-CBQOVEMMSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H](N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235775 505894919 /nfs/dbraw/zinc/89/49/19/505894919.db2.gz XNYKBLANJXVWBD-CBQOVEMMSA-N 1 3 365.521 3.493 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000572126854 505896487 /nfs/dbraw/zinc/89/64/87/505896487.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 1 3 372.557 3.017 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000572126854 505896489 /nfs/dbraw/zinc/89/64/89/505896489.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 1 3 372.557 3.017 20 0 FGADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1CN1CCCCC1 ZINC000237887744 497307926 /nfs/dbraw/zinc/30/79/26/497307926.db2.gz OVJAKHKLXSBTGH-PRJVBOEPSA-N 1 3 355.526 3.209 20 0 FGADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237936603 497317172 /nfs/dbraw/zinc/31/71/72/497317172.db2.gz MSBBOIWGOFZJDD-NHCUHLMSSA-N 1 3 351.494 3.247 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC000575001220 505902267 /nfs/dbraw/zinc/90/22/67/505902267.db2.gz APUXJLGNUGCMLF-QHCPKHFHSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC[C@H](C)C1 ZINC000255955879 497380578 /nfs/dbraw/zinc/38/05/78/497380578.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC[C@H](C)C1 ZINC000255955879 497380582 /nfs/dbraw/zinc/38/05/82/497380582.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000275845507 497445677 /nfs/dbraw/zinc/44/56/77/497445677.db2.gz KCURCLRCEAMYQY-PZJWPPBQSA-N 1 3 355.530 3.428 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954260 497583367 /nfs/dbraw/zinc/58/33/67/497583367.db2.gz LNVFIKNLDIJZCF-AQNXPRMDSA-N 1 3 364.578 3.013 20 0 FGADHO [NH3+]CC1(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000262617906 497584407 /nfs/dbraw/zinc/58/44/07/497584407.db2.gz CBRGWDRRQILUAD-QGZVFWFLSA-N 1 3 363.571 3.376 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000262674870 497597377 /nfs/dbraw/zinc/59/73/77/497597377.db2.gz RJYKWPCILKESHN-IWTFSIHTSA-N 1 3 369.553 3.419 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132702 505917393 /nfs/dbraw/zinc/91/73/93/505917393.db2.gz MMNKSXQFBSXUPF-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132702 505917395 /nfs/dbraw/zinc/91/73/95/505917395.db2.gz MMNKSXQFBSXUPF-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000581138194 505918001 /nfs/dbraw/zinc/91/80/01/505918001.db2.gz KITOXGAPAJZFHZ-HLIPFELVSA-N 1 3 368.949 3.143 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000581138194 505918005 /nfs/dbraw/zinc/91/80/05/505918005.db2.gz KITOXGAPAJZFHZ-HLIPFELVSA-N 1 3 368.949 3.143 20 0 FGADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000246119373 497627418 /nfs/dbraw/zinc/62/74/18/497627418.db2.gz KGRYZECIQAFZGB-RXVVDRJESA-N 1 3 351.498 3.024 20 0 FGADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000246119373 497627423 /nfs/dbraw/zinc/62/74/23/497627423.db2.gz KGRYZECIQAFZGB-RXVVDRJESA-N 1 3 351.498 3.024 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CNCc1ccccc1OCc1cccnc1 ZINC000267847681 497629481 /nfs/dbraw/zinc/62/94/81/497629481.db2.gz DKSBIWFKQOYFJM-HXUWFJFHSA-N 1 3 357.498 3.107 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc(Br)c1OC ZINC000246265225 497677952 /nfs/dbraw/zinc/67/79/52/497677952.db2.gz LQTSLOHQIDDANZ-YWPYICTPSA-N 1 3 371.319 3.285 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432708 497732558 /nfs/dbraw/zinc/73/25/58/497732558.db2.gz MTTVVBYDNGVZKK-JBACZVJFSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432708 497732561 /nfs/dbraw/zinc/73/25/61/497732561.db2.gz MTTVVBYDNGVZKK-JBACZVJFSA-N 1 3 372.557 3.195 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246734979 497805849 /nfs/dbraw/zinc/80/58/49/497805849.db2.gz XXZUXGYRIKVWFV-YLJYHZDGSA-N 1 3 360.546 3.010 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246834137 497814933 /nfs/dbraw/zinc/81/49/33/497814933.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246834137 497814935 /nfs/dbraw/zinc/81/49/35/497814935.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870235 497817851 /nfs/dbraw/zinc/81/78/51/497817851.db2.gz CNXIEQANYBSWOZ-AHEZYBDSSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870235 497817852 /nfs/dbraw/zinc/81/78/52/497817852.db2.gz CNXIEQANYBSWOZ-AHEZYBDSSA-N 1 3 366.347 3.346 20 0 FGADHO NC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240538 505941230 /nfs/dbraw/zinc/94/12/30/505941230.db2.gz JEZNUJRFOJJWNB-TZIWHRDSSA-N 1 3 366.509 3.156 20 0 FGADHO NC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240538 505941234 /nfs/dbraw/zinc/94/12/34/505941234.db2.gz JEZNUJRFOJJWNB-TZIWHRDSSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@@H]1C[C@@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069480 497910674 /nfs/dbraw/zinc/91/06/74/497910674.db2.gz SBSDXRNUXBJOFE-UYAOXDASSA-N 1 3 353.514 3.081 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000285250437 498034680 /nfs/dbraw/zinc/03/46/80/498034680.db2.gz AMDJSWRZWHAMAH-LJQANCHMSA-N 1 3 363.546 3.161 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc(Br)cc1)C2 ZINC000285492921 498105932 /nfs/dbraw/zinc/10/59/32/498105932.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 1 3 353.304 3.040 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc(Br)cc1)C2 ZINC000285492921 498105936 /nfs/dbraw/zinc/10/59/36/498105936.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 1 3 353.304 3.040 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419212 505984480 /nfs/dbraw/zinc/98/44/80/505984480.db2.gz NTGHGVPRCCNGSH-USNOLKROSA-N 1 3 372.557 3.182 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419212 505984482 /nfs/dbraw/zinc/98/44/82/505984482.db2.gz NTGHGVPRCCNGSH-USNOLKROSA-N 1 3 372.557 3.182 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511960 505986676 /nfs/dbraw/zinc/98/66/76/505986676.db2.gz IQYNNZKZTPUIHW-IAGOWNOFSA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511960 505986680 /nfs/dbraw/zinc/98/66/80/505986680.db2.gz IQYNNZKZTPUIHW-IAGOWNOFSA-N 1 3 364.534 3.225 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627995 498152072 /nfs/dbraw/zinc/15/20/72/498152072.db2.gz LDNSIWPFQSABDH-GOSISDBHSA-N 1 3 363.546 3.081 20 0 FGADHO COCCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(F)cc1 ZINC000281620846 498217097 /nfs/dbraw/zinc/21/70/97/498217097.db2.gz CCVWVAGWSBNHCN-FQEVSTJZSA-N 1 3 352.494 3.384 20 0 FGADHO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2cc(F)ccc2n1 ZINC000301810002 498274295 /nfs/dbraw/zinc/27/42/95/498274295.db2.gz BCQNFQSCUBAIBS-DFNIBXOVSA-N 1 3 368.500 3.430 20 0 FGADHO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2cc(F)ccc2n1 ZINC000301810002 498274301 /nfs/dbraw/zinc/27/43/01/498274301.db2.gz BCQNFQSCUBAIBS-DFNIBXOVSA-N 1 3 368.500 3.430 20 0 FGADHO COc1ccc([C@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CCCN2C)cc1 ZINC000365236263 498367052 /nfs/dbraw/zinc/36/70/52/498367052.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 1 3 357.542 3.293 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978544 498379291 /nfs/dbraw/zinc/37/92/91/498379291.db2.gz XSCVIMFWVTXIRP-RYRKJORJSA-N 1 3 350.503 3.188 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293530251 498404363 /nfs/dbraw/zinc/40/43/63/498404363.db2.gz DTZVPERNIXHUGN-QFBILLFUSA-N 1 3 365.477 3.018 20 0 FGADHO C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(C2CCC2)C1 ZINC000293645820 498440876 /nfs/dbraw/zinc/44/08/76/498440876.db2.gz HUFXQJYLFRUUAT-GOSISDBHSA-N 1 3 355.526 3.229 20 0 FGADHO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000361946426 498442809 /nfs/dbraw/zinc/44/28/09/498442809.db2.gz XEFNHQIVWWFQLQ-QFBILLFUSA-N 1 3 372.538 3.106 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888230 506045830 /nfs/dbraw/zinc/04/58/30/506045830.db2.gz XEYDOLLIFXYKBV-GRDNDAEWSA-N 1 3 354.926 3.148 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](CN)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572759844 506046018 /nfs/dbraw/zinc/04/60/18/506046018.db2.gz UYKQILDHQKYKMA-CBQOVEMMSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](CN)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572759844 506046023 /nfs/dbraw/zinc/04/60/23/506046023.db2.gz UYKQILDHQKYKMA-CBQOVEMMSA-N 1 3 365.521 3.146 20 0 FGADHO CC[NH+](CC)CCOc1cc(NC2CCN(C3CC3)CC2)ccc1OC ZINC000297640873 498521727 /nfs/dbraw/zinc/52/17/27/498521727.db2.gz IKSWUKLSQBGZQQ-UHFFFAOYSA-N 1 3 361.530 3.455 20 0 FGADHO Cc1oc(-c2cccs2)nc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486171 498522583 /nfs/dbraw/zinc/52/25/83/498522583.db2.gz KMTUAZUAXRLGCH-KRWDZBQOSA-N 1 3 374.554 3.312 20 0 FGADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(C)c1O ZINC000290371733 498527209 /nfs/dbraw/zinc/52/72/09/498527209.db2.gz NKYWRLMLDLQCTK-NRFANRHFSA-N 1 3 354.494 3.256 20 0 FGADHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(C)c1O ZINC000290371733 498527213 /nfs/dbraw/zinc/52/72/13/498527213.db2.gz NKYWRLMLDLQCTK-NRFANRHFSA-N 1 3 354.494 3.256 20 0 FGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000294116322 498593618 /nfs/dbraw/zinc/59/36/18/498593618.db2.gz GFUQGSKBRXNFNL-QGZVFWFLSA-N 1 3 354.494 3.070 20 0 FGADHO C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290580367 498606855 /nfs/dbraw/zinc/60/68/55/498606855.db2.gz UMEFYFZUWIOSNT-LWCVALJOSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290580367 498606860 /nfs/dbraw/zinc/60/68/60/498606860.db2.gz UMEFYFZUWIOSNT-LWCVALJOSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000363041680 498619007 /nfs/dbraw/zinc/61/90/07/498619007.db2.gz WXZDEXRNSPRJIU-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CCN(C)CC1 ZINC000581813436 506067555 /nfs/dbraw/zinc/06/75/55/506067555.db2.gz HQLRALXWOWOOPB-ZDUSSCGKSA-N 1 3 366.303 3.018 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000365894342 498688980 /nfs/dbraw/zinc/68/89/80/498688980.db2.gz JKMWLIQVHHXKHO-QGZVFWFLSA-N 1 3 366.509 3.099 20 0 FGADHO COC(=O)Nc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298256404 498711183 /nfs/dbraw/zinc/71/11/83/498711183.db2.gz FDDCTZQYDSZYKR-UHFFFAOYSA-N 1 3 354.454 3.061 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260488 498733532 /nfs/dbraw/zinc/73/35/32/498733532.db2.gz WSPYAOAXNLXMEQ-FKBYEOEOSA-N 1 3 367.537 3.229 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260488 498733536 /nfs/dbraw/zinc/73/35/36/498733536.db2.gz WSPYAOAXNLXMEQ-FKBYEOEOSA-N 1 3 367.537 3.229 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021554 498748035 /nfs/dbraw/zinc/74/80/35/498748035.db2.gz GWSKLPZZXGRRSH-TZIWHRDSSA-N 1 3 355.526 3.099 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287583151 498804078 /nfs/dbraw/zinc/80/40/78/498804078.db2.gz HNOSOCKQHDDKJY-KRWDZBQOSA-N 1 3 362.481 3.230 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000363498508 498849328 /nfs/dbraw/zinc/84/93/28/498849328.db2.gz ZCMABQJZQCJUPW-FQEVSTJZSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000363498508 498849332 /nfs/dbraw/zinc/84/93/32/498849332.db2.gz ZCMABQJZQCJUPW-FQEVSTJZSA-N 1 3 355.526 3.032 20 0 FGADHO CN(CCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)c1ccncc1 ZINC000570227268 506119649 /nfs/dbraw/zinc/11/96/49/506119649.db2.gz HVSXXACQWBQSKN-UHFFFAOYSA-N 1 3 358.530 3.165 20 0 FGADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362792 498991487 /nfs/dbraw/zinc/99/14/87/498991487.db2.gz XUEMVKZANZUOAB-UXHICEINSA-N 1 3 374.525 3.096 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367621764 499218941 /nfs/dbraw/zinc/21/89/41/499218941.db2.gz TVTKLVMMYUSSCN-UXLLHSPISA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367621764 499218943 /nfs/dbraw/zinc/21/89/43/499218943.db2.gz TVTKLVMMYUSSCN-UXLLHSPISA-N 1 3 365.905 3.140 20 0 FGADHO NCc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc(C(F)(F)F)c1 ZINC000367648987 499221183 /nfs/dbraw/zinc/22/11/83/499221183.db2.gz OKHVWVOGFMZVGG-ZAQWFSBCSA-N 1 3 355.404 3.256 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236045 /nfs/dbraw/zinc/23/60/45/499236045.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 1 3 359.558 3.398 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000368002754 499253687 /nfs/dbraw/zinc/25/36/87/499253687.db2.gz SZSLELNWMCZYMU-GOSISDBHSA-N 1 3 372.557 3.243 20 0 FGADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000368520484 499304064 /nfs/dbraw/zinc/30/40/64/499304064.db2.gz VTTUCBRDMLCZLA-ICSRJNTNSA-N 1 3 354.498 3.233 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762621 499362859 /nfs/dbraw/zinc/36/28/59/499362859.db2.gz MMGMBTPDIPGFSP-MJGOQNOKSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762621 499362860 /nfs/dbraw/zinc/36/28/60/499362860.db2.gz MMGMBTPDIPGFSP-MJGOQNOKSA-N 1 3 357.523 3.233 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000369200004 499376574 /nfs/dbraw/zinc/37/65/74/499376574.db2.gz CHIXCMPFTAGIRJ-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515171 499411330 /nfs/dbraw/zinc/41/13/30/499411330.db2.gz HQMUKSDWYZBQPU-SUMDDJOVSA-N 1 3 374.554 3.128 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000369515171 499411332 /nfs/dbraw/zinc/41/13/32/499411332.db2.gz HQMUKSDWYZBQPU-SUMDDJOVSA-N 1 3 374.554 3.128 20 0 FGADHO Cn1ccnc1[C@@H](NCC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000372300862 499418264 /nfs/dbraw/zinc/41/82/64/499418264.db2.gz KJBKUZUOJDNXQO-NRFANRHFSA-N 1 3 352.526 3.416 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000369788361 499443289 /nfs/dbraw/zinc/44/32/89/499443289.db2.gz RZSJPWPPBYIJME-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373176488 499455685 /nfs/dbraw/zinc/45/56/85/499455685.db2.gz LQJLLAZFMVCUJI-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373176488 499455686 /nfs/dbraw/zinc/45/56/86/499455686.db2.gz LQJLLAZFMVCUJI-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cccc(C)c1OCCCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176488 499455687 /nfs/dbraw/zinc/45/56/87/499455687.db2.gz LQJLLAZFMVCUJI-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490304 499523832 /nfs/dbraw/zinc/52/38/32/499523832.db2.gz DKZLRKBMFZJVCE-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490304 499523835 /nfs/dbraw/zinc/52/38/35/499523835.db2.gz DKZLRKBMFZJVCE-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCN1Cc1ccccc1 ZINC000375723823 499549111 /nfs/dbraw/zinc/54/91/11/499549111.db2.gz HTBRFAGSKQPBAB-QFIPXVFZSA-N 1 3 355.526 3.032 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc(Br)cc1)C2 ZINC000394164044 499561260 /nfs/dbraw/zinc/56/12/60/499561260.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 1 3 353.304 3.385 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc(Br)cc1)C2 ZINC000394164044 499561261 /nfs/dbraw/zinc/56/12/61/499561261.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 1 3 353.304 3.385 20 0 FGADHO C[N@H+](Cc1ccccc1)C1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842520 499561357 /nfs/dbraw/zinc/56/13/57/499561357.db2.gz VWXWGYZSQZPVOW-CBNMVNINSA-N 1 3 369.484 3.385 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842520 499561358 /nfs/dbraw/zinc/56/13/58/499561358.db2.gz VWXWGYZSQZPVOW-CBNMVNINSA-N 1 3 369.484 3.385 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397484655 499564013 /nfs/dbraw/zinc/56/40/13/499564013.db2.gz AJWTZHNJLIKOHA-GOSISDBHSA-N 1 3 354.494 3.373 20 0 FGADHO COc1ccccc1C[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397560836 499564428 /nfs/dbraw/zinc/56/44/28/499564428.db2.gz RIEFYUFCMUBACL-IBGZPJMESA-N 1 3 368.521 3.243 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000397614875 499564616 /nfs/dbraw/zinc/56/46/16/499564616.db2.gz GOIUSWTUTHENID-LEWJYISDSA-N 1 3 372.553 3.341 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCCC2 ZINC000397614880 499564711 /nfs/dbraw/zinc/56/47/11/499564711.db2.gz GOIUSWTUTHENID-RTWAWAEBSA-N 1 3 372.553 3.341 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397996489 499565673 /nfs/dbraw/zinc/56/56/73/499565673.db2.gz SPQHGEKRXYVFNF-WPYKKVEZSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000397996489 499565675 /nfs/dbraw/zinc/56/56/75/499565675.db2.gz SPQHGEKRXYVFNF-WPYKKVEZSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076360 499566443 /nfs/dbraw/zinc/56/64/43/499566443.db2.gz QSXUHKGIOVVICX-KOUHRCEDSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@@H]1COCCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408263 506151933 /nfs/dbraw/zinc/15/19/33/506151933.db2.gz AZIVFAMEGVGJHF-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCCN(C)C)c1 ZINC000376801867 499635260 /nfs/dbraw/zinc/63/52/60/499635260.db2.gz NSVSRZWNJCQSFA-JWTNVVGKSA-N 1 3 374.529 3.024 20 0 FGADHO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCCN(C)C)c1 ZINC000376801867 499635261 /nfs/dbraw/zinc/63/52/61/499635261.db2.gz NSVSRZWNJCQSFA-JWTNVVGKSA-N 1 3 374.529 3.024 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000410345270 499656288 /nfs/dbraw/zinc/65/62/88/499656288.db2.gz PNTPAZBOLOAZDO-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000410345270 499656289 /nfs/dbraw/zinc/65/62/89/499656289.db2.gz PNTPAZBOLOAZDO-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO CCCNC(=O)CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306026 499724225 /nfs/dbraw/zinc/72/42/25/499724225.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 1 3 357.542 3.281 20 0 FGADHO CCCNC(=O)CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306026 499724228 /nfs/dbraw/zinc/72/42/28/499724228.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 1 3 357.542 3.281 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377805789 499737125 /nfs/dbraw/zinc/73/71/25/499737125.db2.gz XWIQPELNMHJUOG-WDYCEAGBSA-N 1 3 367.493 3.051 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377805789 499737126 /nfs/dbraw/zinc/73/71/26/499737126.db2.gz XWIQPELNMHJUOG-WDYCEAGBSA-N 1 3 367.493 3.051 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000411438681 499740362 /nfs/dbraw/zinc/74/03/62/499740362.db2.gz NXCQGRZXPYIJEP-FQEVSTJZSA-N 1 3 363.933 3.370 20 0 FGADHO CCCC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000411467323 499744328 /nfs/dbraw/zinc/74/43/28/499744328.db2.gz XHCFHPKWMKNJGV-HXUWFJFHSA-N 1 3 361.530 3.117 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000573266838 506157977 /nfs/dbraw/zinc/15/79/77/506157977.db2.gz QIRVABPCEZVUSS-VQQMMKBISA-N 1 3 370.468 3.436 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000414324925 499777950 /nfs/dbraw/zinc/77/79/50/499777950.db2.gz LGERWZFMDKAWGB-LEWJYISDSA-N 1 3 355.526 3.052 20 0 FGADHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414345426 499779602 /nfs/dbraw/zinc/77/96/02/499779602.db2.gz SVCKRAOWFBRXRD-CQSZACIVSA-N 1 3 371.447 3.205 20 0 FGADHO Cc1ccc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365699 499781639 /nfs/dbraw/zinc/78/16/39/499781639.db2.gz NATNUKXEUFYWEU-HDICACEKSA-N 1 3 368.525 3.084 20 0 FGADHO Cc1ccc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365699 499781640 /nfs/dbraw/zinc/78/16/40/499781640.db2.gz NATNUKXEUFYWEU-HDICACEKSA-N 1 3 368.525 3.084 20 0 FGADHO CCC1(CNCc2cnc(N(C)C)n2C)CC[NH+](Cc2ccccc2)CC1 ZINC000414368323 499781961 /nfs/dbraw/zinc/78/19/61/499781961.db2.gz RTCIWHRVAACIGB-UHFFFAOYSA-N 1 3 369.557 3.268 20 0 FGADHO OC[C@]1([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)CCCO1 ZINC000411775500 499789352 /nfs/dbraw/zinc/78/93/52/499789352.db2.gz XXUOURLXODRYAV-YADHBBJMSA-N 1 3 358.526 3.082 20 0 FGADHO OC1(C[NH2+]CCc2cccc(Cl)c2)CCN(Cc2ccccc2)CC1 ZINC000414531391 499803744 /nfs/dbraw/zinc/80/37/44/499803744.db2.gz ZEKIBHNNKQYFJR-UHFFFAOYSA-N 1 3 358.913 3.499 20 0 FGADHO OC1(C[NH2+]CC2=Cc3ccccc3OC2)CCN(Cc2ccccc2)CC1 ZINC000414550218 499807291 /nfs/dbraw/zinc/80/72/91/499807291.db2.gz MYAIMDXMPFVBTM-UHFFFAOYSA-N 1 3 364.489 3.079 20 0 FGADHO C[C@@H](C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414558566 499808901 /nfs/dbraw/zinc/80/89/01/499808901.db2.gz SLYASXMURWYHRE-SFHVURJKSA-N 1 3 365.521 3.277 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412144129 499827700 /nfs/dbraw/zinc/82/77/00/499827700.db2.gz AWUHKXBSFBRNLT-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777866 499829857 /nfs/dbraw/zinc/82/98/57/499829857.db2.gz INXVTPIHTLAQMO-GJZGRUSLSA-N 1 3 350.528 3.247 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796794 499832165 /nfs/dbraw/zinc/83/21/65/499832165.db2.gz IAODXLKZSOQMRH-HOCLYGCPSA-N 1 3 352.404 3.498 20 0 FGADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414808187 499833211 /nfs/dbraw/zinc/83/32/11/499833211.db2.gz RXTVTPRKNJBJKR-TZMCWYRMSA-N 1 3 357.292 3.073 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414812151 499833765 /nfs/dbraw/zinc/83/37/65/499833765.db2.gz WXUDFNZWSBOVSX-IOASZLSFSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414812151 499833766 /nfs/dbraw/zinc/83/37/66/499833766.db2.gz WXUDFNZWSBOVSX-IOASZLSFSA-N 1 3 368.319 3.273 20 0 FGADHO Clc1ccc(-n2cc(CNCC[C@@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414829435 499835032 /nfs/dbraw/zinc/83/50/32/499835032.db2.gz AUPFEDZTPQJQNM-LBPRGKRZSA-N 1 3 354.285 3.053 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000414883025 499841205 /nfs/dbraw/zinc/84/12/05/499841205.db2.gz MOCZOSMJEYJWON-FQEVSTJZSA-N 1 3 370.497 3.229 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886222 499841672 /nfs/dbraw/zinc/84/16/72/499841672.db2.gz VPXHKGHEUUGAGM-YTFSRNRJSA-N 1 3 364.537 3.062 20 0 FGADHO Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H](N)C4CC4)cc3)nc12 ZINC000414892888 499842332 /nfs/dbraw/zinc/84/23/32/499842332.db2.gz QHKDBNOSWLBXDY-HXUWFJFHSA-N 1 3 350.466 3.049 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899231 499842944 /nfs/dbraw/zinc/84/29/44/499842944.db2.gz CITWHVWEAQRITF-CXAGYDPISA-N 1 3 357.420 3.402 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899231 499842945 /nfs/dbraw/zinc/84/29/45/499842945.db2.gz CITWHVWEAQRITF-CXAGYDPISA-N 1 3 357.420 3.402 20 0 FGADHO COc1ccc(OCc2nc(CNC[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414993756 499852535 /nfs/dbraw/zinc/85/25/35/499852535.db2.gz CNTAVCYWZLVANQ-CABCVRRESA-N 1 3 361.511 3.338 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415880212 499923624 /nfs/dbraw/zinc/92/36/24/499923624.db2.gz FBRPUPGUNZHJOF-IAGOWNOFSA-N 1 3 358.530 3.212 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885695 499924313 /nfs/dbraw/zinc/92/43/13/499924313.db2.gz SLXUTBYGMJMVSO-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885695 499924314 /nfs/dbraw/zinc/92/43/14/499924314.db2.gz SLXUTBYGMJMVSO-UHFFFAOYSA-N 1 3 366.509 3.494 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886441 499924479 /nfs/dbraw/zinc/92/44/79/499924479.db2.gz UXWLBMUGRYFCOJ-ROUUACIJSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415886441 499924480 /nfs/dbraw/zinc/92/44/80/499924480.db2.gz UXWLBMUGRYFCOJ-ROUUACIJSA-N 1 3 370.541 3.451 20 0 FGADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000415888827 499924767 /nfs/dbraw/zinc/92/47/67/499924767.db2.gz ASWFWWBAEBPUTJ-IBGZPJMESA-N 1 3 372.900 3.410 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000415923604 499929187 /nfs/dbraw/zinc/92/91/87/499929187.db2.gz WUOPSDRQCXMSID-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000415933288 499930300 /nfs/dbraw/zinc/93/03/00/499930300.db2.gz PKLKUXPNACMQEE-UXHICEINSA-N 1 3 352.482 3.363 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415971446 499935581 /nfs/dbraw/zinc/93/55/81/499935581.db2.gz JTQFEPUSQVFYAB-CALCHBBNSA-N 1 3 374.529 3.048 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415971446 499935583 /nfs/dbraw/zinc/93/55/83/499935583.db2.gz JTQFEPUSQVFYAB-CALCHBBNSA-N 1 3 374.529 3.048 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000415974189 499935830 /nfs/dbraw/zinc/93/58/30/499935830.db2.gz QERVMCLSMOGZHF-OXQOHEQNSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000415973116 499936019 /nfs/dbraw/zinc/93/60/19/499936019.db2.gz NTGVLCNOJDDPFC-OXQOHEQNSA-N 1 3 352.482 3.191 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415973570 499936045 /nfs/dbraw/zinc/93/60/45/499936045.db2.gz QULVYNFBWCJHQS-HNNXBMFYSA-N 1 3 358.408 3.160 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415973570 499936046 /nfs/dbraw/zinc/93/60/46/499936046.db2.gz QULVYNFBWCJHQS-HNNXBMFYSA-N 1 3 358.408 3.160 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(CCCc2ccccc2)CCN(C)C)cc1 ZINC000415976600 499936259 /nfs/dbraw/zinc/93/62/59/499936259.db2.gz WDKLQDOGJMZZNJ-UHFFFAOYSA-N 1 3 368.525 3.434 20 0 FGADHO CC[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)N1CCc2ccccc2C1 ZINC000415982139 499937144 /nfs/dbraw/zinc/93/71/44/499937144.db2.gz DHMPRMWXNJYSDS-OAQYLSRUSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000415991049 499938213 /nfs/dbraw/zinc/93/82/13/499938213.db2.gz OLNZFJDNTPXABY-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO Cc1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000416171714 499967616 /nfs/dbraw/zinc/96/76/16/499967616.db2.gz RRSCLLIZDZZAFM-LJQANCHMSA-N 1 3 369.513 3.090 20 0 FGADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993040 /nfs/dbraw/zinc/99/30/40/499993040.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 1 3 366.505 3.121 20 0 FGADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993042 /nfs/dbraw/zinc/99/30/42/499993042.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 1 3 366.505 3.121 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202171 500003719 /nfs/dbraw/zinc/00/37/19/500003719.db2.gz ZGFLVNHSQOTQAI-LAUBAEHRSA-N 1 3 368.525 3.261 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211716 500006350 /nfs/dbraw/zinc/00/63/50/500006350.db2.gz GTDQKAMLJBYHNW-HLAWJBBLSA-N 1 3 372.557 3.086 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413665839 500019396 /nfs/dbraw/zinc/01/93/96/500019396.db2.gz GHHHFKOYCCCNSQ-SFHVURJKSA-N 1 3 357.542 3.475 20 0 FGADHO C[NH+](C)C1CCC(NCc2cc3c(cc2Br)OCO3)CC1 ZINC000421368548 500028237 /nfs/dbraw/zinc/02/82/37/500028237.db2.gz GJZWBMJIBNDRQX-UHFFFAOYSA-N 1 3 355.276 3.140 20 0 FGADHO CCc1cc(OC)ccc1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421380484 500032779 /nfs/dbraw/zinc/03/27/79/500032779.db2.gz VWCFBAVJNPLZQO-UHFFFAOYSA-N 1 3 359.558 3.250 20 0 FGADHO CCc1cc(OC)ccc1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421380484 500032781 /nfs/dbraw/zinc/03/27/81/500032781.db2.gz VWCFBAVJNPLZQO-UHFFFAOYSA-N 1 3 359.558 3.250 20 0 FGADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417385296 500056343 /nfs/dbraw/zinc/05/63/43/500056343.db2.gz LYROTRDAGPGRGY-FUMNGEBKSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385296 500056346 /nfs/dbraw/zinc/05/63/46/500056346.db2.gz LYROTRDAGPGRGY-FUMNGEBKSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385296 500056347 /nfs/dbraw/zinc/05/63/47/500056347.db2.gz LYROTRDAGPGRGY-FUMNGEBKSA-N 1 3 363.496 3.216 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(F)c1 ZINC000413904918 500091721 /nfs/dbraw/zinc/09/17/21/500091721.db2.gz VLCBXQDUHLYJET-UHFFFAOYSA-N 1 3 365.493 3.217 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)N(C)Cc1ccccc1 ZINC000417587097 500118876 /nfs/dbraw/zinc/11/88/76/500118876.db2.gz NMXBFGLSMTYBPZ-SJORKVTESA-N 1 3 354.498 3.026 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124570 /nfs/dbraw/zinc/12/45/70/500124570.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 1 3 373.585 3.330 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698906 500125854 /nfs/dbraw/zinc/12/58/54/500125854.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 1 3 359.558 3.084 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429698906 500125857 /nfs/dbraw/zinc/12/58/57/500125857.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 1 3 359.558 3.084 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000416833151 500133010 /nfs/dbraw/zinc/13/30/10/500133010.db2.gz CHAPZMJYVDNDPZ-LEWJYISDSA-N 1 3 372.557 3.025 20 0 FGADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000417688388 500149454 /nfs/dbraw/zinc/14/94/54/500149454.db2.gz JAAICFXXXUMPAV-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104458 500154373 /nfs/dbraw/zinc/15/43/73/500154373.db2.gz FVXCVJRGMUYHKC-XLIONFOSSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104458 500154376 /nfs/dbraw/zinc/15/43/76/500154376.db2.gz FVXCVJRGMUYHKC-XLIONFOSSA-N 1 3 354.494 3.421 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C(C)(C)C[NH+](C)C ZINC000417857882 500185250 /nfs/dbraw/zinc/18/52/50/500185250.db2.gz OUZKOOVVEUHGNF-BEFAXECRSA-N 1 3 356.514 3.115 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417984128 500209365 /nfs/dbraw/zinc/20/93/65/500209365.db2.gz OMGCILFJCWKMGD-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO COCC[C@H](c1ccccc1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958032 500216847 /nfs/dbraw/zinc/21/68/47/500216847.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 1 3 368.521 3.333 20 0 FGADHO COCC[C@H](c1ccccc1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958032 500216849 /nfs/dbraw/zinc/21/68/49/500216849.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 1 3 368.521 3.333 20 0 FGADHO C[C@@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000418044850 500220105 /nfs/dbraw/zinc/22/01/05/500220105.db2.gz NLHJKCYDZORMOV-IRLDBZIGSA-N 1 3 366.509 3.040 20 0 FGADHO C[C@@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044850 500220106 /nfs/dbraw/zinc/22/01/06/500220106.db2.gz NLHJKCYDZORMOV-IRLDBZIGSA-N 1 3 366.509 3.040 20 0 FGADHO COc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C2 ZINC000426052398 500230237 /nfs/dbraw/zinc/23/02/37/500230237.db2.gz YCACMRWQLQRABU-HXUWFJFHSA-N 1 3 368.521 3.325 20 0 FGADHO CCCN(C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130226 500234480 /nfs/dbraw/zinc/23/44/80/500234480.db2.gz BVYSCYHPLVWGJT-NRFANRHFSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)N(C)C ZINC000418175992 500242841 /nfs/dbraw/zinc/24/28/41/500242841.db2.gz GNSKZJUJONQUIM-GHTZIAJQSA-N 1 3 368.525 3.157 20 0 FGADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC1 ZINC000418246809 500255485 /nfs/dbraw/zinc/25/54/85/500255485.db2.gz QDBIUPAKCNUWNO-HXUWFJFHSA-N 1 3 366.509 3.040 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC1 ZINC000418246809 500255488 /nfs/dbraw/zinc/25/54/88/500255488.db2.gz QDBIUPAKCNUWNO-HXUWFJFHSA-N 1 3 366.509 3.040 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319208 506185646 /nfs/dbraw/zinc/18/56/46/506185646.db2.gz JREHDZFXAJIVEK-ICSRJNTNSA-N 1 3 360.546 3.067 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325643 500262625 /nfs/dbraw/zinc/26/26/25/500262625.db2.gz JKKXGOQLYHJPQB-DBVUQKKJSA-N 1 3 360.546 3.182 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325643 500262626 /nfs/dbraw/zinc/26/26/26/500262626.db2.gz JKKXGOQLYHJPQB-DBVUQKKJSA-N 1 3 360.546 3.182 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418345469 500265787 /nfs/dbraw/zinc/26/57/87/500265787.db2.gz HAPBJPOWGLOZPS-XNMUZJSGSA-N 1 3 358.530 3.076 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418345469 500265791 /nfs/dbraw/zinc/26/57/91/500265791.db2.gz HAPBJPOWGLOZPS-XNMUZJSGSA-N 1 3 358.530 3.076 20 0 FGADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418384438 500270699 /nfs/dbraw/zinc/27/06/99/500270699.db2.gz OJEPUVSTHBVXGT-NRFANRHFSA-N 1 3 372.557 3.200 20 0 FGADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422565024 500275230 /nfs/dbraw/zinc/27/52/30/500275230.db2.gz KROTXXNRYBAQTP-UHFFFAOYSA-N 1 3 368.909 3.062 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422702430 500287320 /nfs/dbraw/zinc/28/73/20/500287320.db2.gz KRNOEQPBOCUPPO-KZNAEPCWSA-N 1 3 368.443 3.484 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704683 500287589 /nfs/dbraw/zinc/28/75/89/500287589.db2.gz QFZSTNJQOSLAFP-AVRDEDQJSA-N 1 3 351.538 3.371 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704683 500287591 /nfs/dbraw/zinc/28/75/91/500287591.db2.gz QFZSTNJQOSLAFP-AVRDEDQJSA-N 1 3 351.538 3.371 20 0 FGADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418526427 500287630 /nfs/dbraw/zinc/28/76/30/500287630.db2.gz ZTAODMXVQWDQBF-UYAOXDASSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCN1 ZINC000422710571 500288037 /nfs/dbraw/zinc/28/80/37/500288037.db2.gz LLXHNFONICJZLE-LXZKKBNFSA-N 1 3 352.320 3.148 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000422716628 500289151 /nfs/dbraw/zinc/28/91/51/500289151.db2.gz URNZVZMUAMHUGP-HXUWFJFHSA-N 1 3 355.482 3.091 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550147 500290591 /nfs/dbraw/zinc/29/05/91/500290591.db2.gz TUSBAQNTXQMWRW-CBQOVEMMSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000422741410 500292881 /nfs/dbraw/zinc/29/28/81/500292881.db2.gz DLFLRTCYRIYUIH-RGIVZKHGSA-N 1 3 353.938 3.065 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1Cl ZINC000422741408 500293297 /nfs/dbraw/zinc/29/32/97/500293297.db2.gz DLFLRTCYRIYUIH-IAAVTCLWSA-N 1 3 353.938 3.065 20 0 FGADHO C[C@@H]1Cc2ccccc2N1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752930 500293578 /nfs/dbraw/zinc/29/35/78/500293578.db2.gz BMSKUPDMCLBTBE-DHJUGAMNSA-N 1 3 363.505 3.283 20 0 FGADHO c1ccc(CN2CC[C@H](N[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422772060 500295781 /nfs/dbraw/zinc/29/57/81/500295781.db2.gz YCJJIYGADBKWGG-IEIRFRATSA-N 1 3 363.505 3.106 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786072 500297132 /nfs/dbraw/zinc/29/71/32/500297132.db2.gz OERUJCPKGPDERA-JQFCIGGWSA-N 1 3 356.432 3.469 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786072 500297133 /nfs/dbraw/zinc/29/71/33/500297133.db2.gz OERUJCPKGPDERA-JQFCIGGWSA-N 1 3 356.432 3.469 20 0 FGADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789324 500298247 /nfs/dbraw/zinc/29/82/47/500298247.db2.gz OBFQIYAXICTEKD-PWRODBHTSA-N 1 3 356.489 3.454 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811109 500301335 /nfs/dbraw/zinc/30/13/35/500301335.db2.gz OKIPEBZQDUNAPE-HSQYWUDLSA-N 1 3 365.521 3.091 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430929330 500308374 /nfs/dbraw/zinc/30/83/74/500308374.db2.gz VXXCIBUUMVXLPA-IRXDYDNUSA-N 1 3 353.510 3.337 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869792 500308414 /nfs/dbraw/zinc/30/84/14/500308414.db2.gz APUIULLKPGTODI-GIVPXCGWSA-N 1 3 357.542 3.121 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccc(C)cc2OC(C)C)CC[NH2+]CC1 ZINC000422879964 500309435 /nfs/dbraw/zinc/30/94/35/500309435.db2.gz WIRJPPYCSSZOGD-QGZVFWFLSA-N 1 3 362.514 3.193 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422882247 500310067 /nfs/dbraw/zinc/31/00/67/500310067.db2.gz ZUILBSXTNQOQGK-LLVKDONJSA-N 1 3 357.228 3.438 20 0 FGADHO CCN1CCN(Cc2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890196 500311929 /nfs/dbraw/zinc/31/19/29/500311929.db2.gz HWPRIONNFJTZJG-GOTSBHOMSA-N 1 3 364.537 3.059 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)cs1 ZINC000422913540 500316089 /nfs/dbraw/zinc/31/60/89/500316089.db2.gz QDSATHUTDKCLHU-ZWKOTPCHSA-N 1 3 350.576 3.167 20 0 FGADHO Cc1sc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930639 500318374 /nfs/dbraw/zinc/31/83/74/500318374.db2.gz VIMOCMRBROPXEL-CEXWTWQISA-N 1 3 371.550 3.408 20 0 FGADHO CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422945355 500320965 /nfs/dbraw/zinc/32/09/65/500320965.db2.gz UFMQGYZNWUXERH-HNNXBMFYSA-N 1 3 354.498 3.229 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988333 500327901 /nfs/dbraw/zinc/32/79/01/500327901.db2.gz ISSCKTPWAROFEB-IAAVTCLWSA-N 1 3 370.459 3.367 20 0 FGADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1COc2ccccc21 ZINC000423004661 500329606 /nfs/dbraw/zinc/32/96/06/500329606.db2.gz POLLXESDAANQKA-DJZBOODTSA-N 1 3 350.462 3.397 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCC[C@@H]3CN)nc12 ZINC000423035428 500333206 /nfs/dbraw/zinc/33/32/06/500333206.db2.gz JKIFVSLJRVDURN-CJNGLKHVSA-N 1 3 365.319 3.055 20 0 FGADHO Fc1ccc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028086 500333250 /nfs/dbraw/zinc/33/32/50/500333250.db2.gz FTHQDUFGRXIGLY-UZLBHIALSA-N 1 3 362.395 3.492 20 0 FGADHO Cn1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423064109 500337301 /nfs/dbraw/zinc/33/73/01/500337301.db2.gz QLASPXQVAKGYOQ-GUDVDZBRSA-N 1 3 361.917 3.121 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066642 500337928 /nfs/dbraw/zinc/33/79/28/500337928.db2.gz FBQABFZPNYPUDQ-PWXKEOIMSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066642 500337929 /nfs/dbraw/zinc/33/79/29/500337929.db2.gz FBQABFZPNYPUDQ-PWXKEOIMSA-N 1 3 372.340 3.304 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)c1 ZINC000423084736 500340126 /nfs/dbraw/zinc/34/01/26/500340126.db2.gz IRBSVBCUMFMHQH-GVDBMIGSSA-N 1 3 369.351 3.326 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(-c3ccco3)cc2F)CC[NH2+]CC1 ZINC000423088795 500340216 /nfs/dbraw/zinc/34/02/16/500340216.db2.gz SWCCUKPLNKSIGQ-HNNXBMFYSA-N 1 3 374.456 3.497 20 0 FGADHO CC[C@H](COCC(F)(F)F)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423148389 500348537 /nfs/dbraw/zinc/34/85/37/500348537.db2.gz VMDKEARMZXASDG-KMFMINBZSA-N 1 3 358.404 3.189 20 0 FGADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423225942 500356032 /nfs/dbraw/zinc/35/60/32/500356032.db2.gz OVDWWEJPDIQODW-UWVGGRQHSA-N 1 3 351.800 3.403 20 0 FGADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423293930 500362458 /nfs/dbraw/zinc/36/24/58/500362458.db2.gz SNQPOLPLRIKIRG-JKSUJKDBSA-N 1 3 373.522 3.097 20 0 FGADHO C[N@H+](CCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000423309478 500363213 /nfs/dbraw/zinc/36/32/13/500363213.db2.gz LLODACSTFBEARL-FQEVSTJZSA-N 1 3 353.510 3.351 20 0 FGADHO C[N@@H+](CCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000423309478 500363216 /nfs/dbraw/zinc/36/32/16/500363216.db2.gz LLODACSTFBEARL-FQEVSTJZSA-N 1 3 353.510 3.351 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000423325457 500364743 /nfs/dbraw/zinc/36/47/43/500364743.db2.gz ISYMZEQQHZIKEX-KRWDZBQOSA-N 1 3 351.494 3.143 20 0 FGADHO COC[C@@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCCN1 ZINC000423418514 500373023 /nfs/dbraw/zinc/37/30/23/500373023.db2.gz USMHSVOHJOIEET-MSOLQXFVSA-N 1 3 367.331 3.128 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000423446483 500375250 /nfs/dbraw/zinc/37/52/50/500375250.db2.gz CRNRBWHKDRXDFC-XZOAIXRZSA-N 1 3 369.431 3.003 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000423479282 500377592 /nfs/dbraw/zinc/37/75/92/500377592.db2.gz UXPPDFBEEGQCHN-RSRIQPTJSA-N 1 3 358.501 3.456 20 0 FGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1I ZINC000423542177 500383679 /nfs/dbraw/zinc/38/36/79/500383679.db2.gz LWSXJKDISDGIIE-IGQOVBAYSA-N 1 3 370.278 3.330 20 0 FGADHO CCc1cccnc1[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423558064 500384993 /nfs/dbraw/zinc/38/49/93/500384993.db2.gz ITMQMNASPRQSLW-SFHVURJKSA-N 1 3 352.526 3.288 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC000431655077 500403606 /nfs/dbraw/zinc/40/36/06/500403606.db2.gz WGZZQMFTDMQPJQ-FPOVZHCZSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC000431655077 500403609 /nfs/dbraw/zinc/40/36/09/500403609.db2.gz WGZZQMFTDMQPJQ-FPOVZHCZSA-N 1 3 373.541 3.213 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420297885 500435781 /nfs/dbraw/zinc/43/57/81/500435781.db2.gz DTHKXXYTMPSQRA-MLGOLLRUSA-N 1 3 356.297 3.396 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000420317479 500440682 /nfs/dbraw/zinc/44/06/82/500440682.db2.gz NDFZTPZIBLIACC-IBGZPJMESA-N 1 3 353.510 3.338 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330551 500442594 /nfs/dbraw/zinc/44/25/94/500442594.db2.gz AUQXNJFNIZRBCA-HKBOAZHASA-N 1 3 355.526 3.062 20 0 FGADHO [NH3+]C[C@@H]1CN(CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330961 500443098 /nfs/dbraw/zinc/44/30/98/500443098.db2.gz QIXFZOBOTTWBKE-CYBMUJFWSA-N 1 3 359.297 3.060 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345367 500445783 /nfs/dbraw/zinc/44/57/83/500445783.db2.gz VYZZWCUXHXDANP-HXUWFJFHSA-N 1 3 357.542 3.278 20 0 FGADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359864 500447589 /nfs/dbraw/zinc/44/75/89/500447589.db2.gz KQERIMNSYAYHJT-HXUWFJFHSA-N 1 3 365.521 3.260 20 0 FGADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359864 500447594 /nfs/dbraw/zinc/44/75/94/500447594.db2.gz KQERIMNSYAYHJT-HXUWFJFHSA-N 1 3 365.521 3.260 20 0 FGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420384097 500452825 /nfs/dbraw/zinc/45/28/25/500452825.db2.gz RJMYFUMZXGUFBU-LJQANCHMSA-N 1 3 355.530 3.488 20 0 FGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420384097 500452827 /nfs/dbraw/zinc/45/28/27/500452827.db2.gz RJMYFUMZXGUFBU-LJQANCHMSA-N 1 3 355.530 3.488 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274049 500479722 /nfs/dbraw/zinc/47/97/22/500479722.db2.gz YFADHCZASMGEEY-IBGZPJMESA-N 1 3 358.555 3.044 20 0 FGADHO CC(C)[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285743 500481160 /nfs/dbraw/zinc/48/11/60/500481160.db2.gz GIFMMWCIRHHNJC-OXQOHEQNSA-N 1 3 361.505 3.103 20 0 FGADHO Cc1ccc([C@@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287640 500481583 /nfs/dbraw/zinc/48/15/83/500481583.db2.gz JIOMECSGSAPMEE-DYESRHJHSA-N 1 3 355.526 3.026 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302005 500484089 /nfs/dbraw/zinc/48/40/89/500484089.db2.gz YQYYROGSCNCIBN-CYBMUJFWSA-N 1 3 355.404 3.108 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCCc2ccccc2)CCN(C)C)c1 ZINC000424433791 500504577 /nfs/dbraw/zinc/50/45/77/500504577.db2.gz IOLGAUBDIHZHCM-UHFFFAOYSA-N 1 3 368.525 3.482 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000424435432 500504985 /nfs/dbraw/zinc/50/49/85/500504985.db2.gz IJANQMJJSBJABD-UHFFFAOYSA-N 1 3 352.482 3.024 20 0 FGADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365162 500505287 /nfs/dbraw/zinc/50/52/87/500505287.db2.gz QVARZJBNBBVQCM-CYBMUJFWSA-N 1 3 359.283 3.179 20 0 FGADHO CC(C)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425337 500514892 /nfs/dbraw/zinc/51/48/92/500514892.db2.gz MFGLZJRNZOHUKO-KXBFYZLASA-N 1 3 361.486 3.321 20 0 FGADHO CC(C)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425337 500514894 /nfs/dbraw/zinc/51/48/94/500514894.db2.gz MFGLZJRNZOHUKO-KXBFYZLASA-N 1 3 361.486 3.321 20 0 FGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442604692 500604161 /nfs/dbraw/zinc/60/41/61/500604161.db2.gz XMNFEINKOQGKMN-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442604692 500604164 /nfs/dbraw/zinc/60/41/64/500604164.db2.gz XMNFEINKOQGKMN-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442777023 500624639 /nfs/dbraw/zinc/62/46/39/500624639.db2.gz FIYKNFCXCPBFDB-SFHVURJKSA-N 1 3 363.505 3.408 20 0 FGADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862198 500636497 /nfs/dbraw/zinc/63/64/97/500636497.db2.gz FINDOGVWLQSECY-KRWDZBQOSA-N 1 3 355.473 3.355 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873703 500637978 /nfs/dbraw/zinc/63/79/78/500637978.db2.gz LCJPWXVNIWRKDU-CQSZACIVSA-N 1 3 359.436 3.262 20 0 FGADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058654 500670903 /nfs/dbraw/zinc/67/09/03/500670903.db2.gz KWOQZIGIDVLUKD-WIYYLYMNSA-N 1 3 373.541 3.200 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000443242241 500700710 /nfs/dbraw/zinc/70/07/10/500700710.db2.gz UUFCWWBYYKRYDA-UYAOXDASSA-N 1 3 374.573 3.407 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433565946 500713844 /nfs/dbraw/zinc/71/38/44/500713844.db2.gz XROOXIJXWXFGNP-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720767 /nfs/dbraw/zinc/72/07/67/500720767.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720771 /nfs/dbraw/zinc/72/07/71/500720771.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 1 3 358.448 3.413 20 0 FGADHO CC[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)N(CC)CC ZINC000434148998 500803187 /nfs/dbraw/zinc/80/31/87/500803187.db2.gz XCXVPJNSLSGCAS-HXUWFJFHSA-N 1 3 361.530 3.244 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660293 506219586 /nfs/dbraw/zinc/21/95/86/506219586.db2.gz DVQKBLGEIRCFQL-DXIQSLLYSA-N 1 3 371.569 3.128 20 0 FGADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000607660293 506219591 /nfs/dbraw/zinc/21/95/91/506219591.db2.gz DVQKBLGEIRCFQL-DXIQSLLYSA-N 1 3 371.569 3.128 20 0 FGADHO CC(CN1CCC([C@@H]2CCCO2)CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439298801 500882534 /nfs/dbraw/zinc/88/25/34/500882534.db2.gz VVHQSWFQXLTJGX-VXKWHMMOSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789880 500939142 /nfs/dbraw/zinc/93/91/42/500939142.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789880 500939144 /nfs/dbraw/zinc/93/91/44/500939144.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC2CCS(=O)(=O)CC2)CC1 ZINC000449212166 500949457 /nfs/dbraw/zinc/94/94/57/500949457.db2.gz IUTJYLYTSJLJRJ-UHFFFAOYSA-N 1 3 372.619 3.470 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383897 500964316 /nfs/dbraw/zinc/96/43/16/500964316.db2.gz JUWFIWIUEJMKBC-VLCRHTCISA-N 1 3 373.504 3.494 20 0 FGADHO [NH3+]CC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000435397876 500968185 /nfs/dbraw/zinc/96/81/85/500968185.db2.gz LJDMOEDKBBAHKX-UHFFFAOYSA-N 1 3 361.493 3.164 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(I)cc1 ZINC000449330232 500979871 /nfs/dbraw/zinc/97/98/71/500979871.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(I)cc1 ZINC000449330232 500979872 /nfs/dbraw/zinc/97/98/72/500979872.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 1 3 358.267 3.063 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000449334728 500980662 /nfs/dbraw/zinc/98/06/62/500980662.db2.gz XWLPBQLLCXZSJH-MRXNPFEDSA-N 1 3 358.592 3.080 20 0 FGADHO COc1ncccc1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449336468 500981509 /nfs/dbraw/zinc/98/15/09/500981509.db2.gz NQARYFFOSIJIIL-GOSISDBHSA-N 1 3 353.510 3.318 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597378 501041347 /nfs/dbraw/zinc/04/13/47/501041347.db2.gz ZAHFJNXIZSXHQZ-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597378 501041349 /nfs/dbraw/zinc/04/13/49/501041349.db2.gz ZAHFJNXIZSXHQZ-SAJDGTNDSA-N 1 3 360.546 3.273 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000582459174 506232950 /nfs/dbraw/zinc/23/29/50/506232950.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000582459174 506232957 /nfs/dbraw/zinc/23/29/57/506232957.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 1 3 374.573 3.315 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000611623414 506233690 /nfs/dbraw/zinc/23/36/90/506233690.db2.gz MGQLTAFIUMPTQA-UHFFFAOYSA-N 1 3 362.518 3.061 20 0 FGADHO CN1CCC(C[NH2+]Cc2c[nH]nc2-c2ccsc2)(N2CCCCC2)CC1 ZINC000436256077 501096413 /nfs/dbraw/zinc/09/64/13/501096413.db2.gz ZXEJHYRMAHQNSD-UHFFFAOYSA-N 1 3 373.570 3.178 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305344 501104544 /nfs/dbraw/zinc/10/45/44/501104544.db2.gz GEHHFXBGTBUOQW-QCFAMHMHSA-N 1 3 361.574 3.410 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000446743285 501159946 /nfs/dbraw/zinc/15/99/46/501159946.db2.gz DOWHTQPNHQGORJ-PZJWPPBQSA-N 1 3 355.530 3.430 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000446744687 501160309 /nfs/dbraw/zinc/16/03/09/501160309.db2.gz KFPURUJPKSSHAC-NQIIRXRSSA-N 1 3 371.529 3.130 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000446749753 501160948 /nfs/dbraw/zinc/16/09/48/501160948.db2.gz BZNMTYYWNSZRAZ-OAQYLSRUSA-N 1 3 371.529 3.128 20 0 FGADHO CCn1ccnc1[C@H](C)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000453088269 501266528 /nfs/dbraw/zinc/26/65/28/501266528.db2.gz WKTIQYHNNOZIID-IBGZPJMESA-N 1 3 355.530 3.156 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H](Cn3cccn3)C(C)C)CC2)cc1 ZINC000453091407 501267028 /nfs/dbraw/zinc/26/70/28/501267028.db2.gz QAWCIINSAKLFPF-JOCHJYFZSA-N 1 3 370.541 3.418 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000457678959 501285162 /nfs/dbraw/zinc/28/51/62/501285162.db2.gz USCNSALWVVCEEF-QFIPXVFZSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000453197000 501289431 /nfs/dbraw/zinc/28/94/31/501289431.db2.gz MPKROEZHZMFDEU-PGRDOPGGSA-N 1 3 353.510 3.149 20 0 FGADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453250325 501299227 /nfs/dbraw/zinc/29/92/27/501299227.db2.gz HCZURQDIIOKPCM-CIAFKFPVSA-N 1 3 360.542 3.054 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453579618 501352923 /nfs/dbraw/zinc/35/29/23/501352923.db2.gz JTYBNJCURAVBGR-UHFFFAOYSA-N 1 3 374.392 3.326 20 0 FGADHO CC1(C)COC[C@@H]1NCc1cc(Cl)cc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000451807196 501376429 /nfs/dbraw/zinc/37/64/29/501376429.db2.gz APMUNFAOROCYTQ-ROUUACIJSA-N 1 3 366.933 3.369 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455863801 501402088 /nfs/dbraw/zinc/40/20/88/501402088.db2.gz SIJIVVSVHNHVOQ-RBUKOAKNSA-N 1 3 358.530 3.477 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000458575546 501478340 /nfs/dbraw/zinc/47/83/40/501478340.db2.gz XVJXSSODRJRUEB-IEBWSBKVSA-N 1 3 360.546 3.069 20 0 FGADHO CCOc1cc(CNCC2(SC)CC[NH+](C)CC2)c(F)cc1OC ZINC000598974920 506256022 /nfs/dbraw/zinc/25/60/22/506256022.db2.gz SXQYTGZYKNLZSO-UHFFFAOYSA-N 1 3 356.507 3.150 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000458677759 501505674 /nfs/dbraw/zinc/50/56/74/501505674.db2.gz VZNURQACKAJGOM-JOCHJYFZSA-N 1 3 374.573 3.461 20 0 FGADHO CCOc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329959 501632139 /nfs/dbraw/zinc/63/21/39/501632139.db2.gz RYMJXRBBLGPZPN-IRXDYDNUSA-N 1 3 362.514 3.112 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+]C2CCN(C3CC3)CC2)C[C@H](C)O1 ZINC000459387481 501644201 /nfs/dbraw/zinc/64/42/01/501644201.db2.gz JRJXZOUNKDAOJI-HDICACEKSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CNC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000459387481 501644204 /nfs/dbraw/zinc/64/42/04/501644204.db2.gz JRJXZOUNKDAOJI-HDICACEKSA-N 1 3 357.542 3.012 20 0 FGADHO COC(=O)CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459395492 501646262 /nfs/dbraw/zinc/64/62/62/501646262.db2.gz BENGXYTVGPHBJO-FQEVSTJZSA-N 1 3 353.466 3.335 20 0 FGADHO COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CCN2C2CC2)c1 ZINC000459456290 501657119 /nfs/dbraw/zinc/65/71/19/501657119.db2.gz HKNNTDSUCODZNQ-FCHUYYIVSA-N 1 3 355.526 3.189 20 0 FGADHO OCCOCC[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459525399 501669707 /nfs/dbraw/zinc/66/97/07/501669707.db2.gz MXPZQUHGIZNQFB-QFIPXVFZSA-N 1 3 360.542 3.152 20 0 FGADHO OCCOCC[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459525399 501669708 /nfs/dbraw/zinc/66/97/08/501669708.db2.gz MXPZQUHGIZNQFB-QFIPXVFZSA-N 1 3 360.542 3.152 20 0 FGADHO Cc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc(N2CCCC2)n1 ZINC000459556631 501675937 /nfs/dbraw/zinc/67/59/37/501675937.db2.gz BVEZMDKEHUKBLX-UHFFFAOYSA-N 1 3 351.498 3.144 20 0 FGADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1CCN(C)C ZINC000455231372 501712657 /nfs/dbraw/zinc/71/26/57/501712657.db2.gz REDFWASQQSZWSF-IBGZPJMESA-N 1 3 360.546 3.423 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000457529638 501717144 /nfs/dbraw/zinc/71/71/44/501717144.db2.gz PUMTYOROGYSFEH-JOCHJYFZSA-N 1 3 372.557 3.156 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460107359 501726970 /nfs/dbraw/zinc/72/69/70/501726970.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000460107359 501726973 /nfs/dbraw/zinc/72/69/73/501726973.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 1 3 360.546 3.242 20 0 FGADHO CO[C@@H]1CN(Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286944 501759107 /nfs/dbraw/zinc/75/91/07/501759107.db2.gz BSMQKIQQPONZMW-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CN(Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286944 501759111 /nfs/dbraw/zinc/75/91/11/501759111.db2.gz BSMQKIQQPONZMW-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000470664248 501759486 /nfs/dbraw/zinc/75/94/86/501759486.db2.gz WJYBUMUJMBCLLG-UHFFFAOYSA-N 1 3 374.573 3.021 20 0 FGADHO Cc1nn(C(C)C)cc1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000467456363 501799104 /nfs/dbraw/zinc/79/91/04/501799104.db2.gz JWVDDELBJROHKS-ROUUACIJSA-N 1 3 362.562 3.484 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000477884924 501819444 /nfs/dbraw/zinc/81/94/44/501819444.db2.gz VEOUVWFMNUDFOQ-PXNSSMCTSA-N 1 3 360.546 3.097 20 0 FGADHO CCN(Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1)C1CC1 ZINC000467702092 501848527 /nfs/dbraw/zinc/84/85/27/501848527.db2.gz CLRZQFDTTDSBGP-UHFFFAOYSA-N 1 3 351.494 3.272 20 0 FGADHO c1cnn(-c2cccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886845 /nfs/dbraw/zinc/88/68/45/501886845.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 1 3 358.489 3.436 20 0 FGADHO c1cnn(-c2cccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886846 /nfs/dbraw/zinc/88/68/46/501886846.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 1 3 358.489 3.436 20 0 FGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000474602908 501890447 /nfs/dbraw/zinc/89/04/47/501890447.db2.gz UJOIIQBXXCQKGQ-UNMCSNQZSA-N 1 3 359.558 3.384 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000481904012 501914261 /nfs/dbraw/zinc/91/42/61/501914261.db2.gz JMPAEEXDOGUDTG-DOTOQJQBSA-N 1 3 358.448 3.319 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917060 501958961 /nfs/dbraw/zinc/95/89/61/501958961.db2.gz ZNNWGWHTAXLSJI-QFBILLFUSA-N 1 3 365.949 3.318 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917060 501958968 /nfs/dbraw/zinc/95/89/68/501958968.db2.gz ZNNWGWHTAXLSJI-QFBILLFUSA-N 1 3 365.949 3.318 20 0 FGADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000468188598 501982056 /nfs/dbraw/zinc/98/20/56/501982056.db2.gz XKZCYIITJQNYQL-UHFFFAOYSA-N 1 3 366.509 3.142 20 0 FGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000482124115 501982526 /nfs/dbraw/zinc/98/25/26/501982526.db2.gz UIUYLGSBZIFJSA-QFIPXVFZSA-N 1 3 350.510 3.179 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513526 502005521 /nfs/dbraw/zinc/00/55/21/502005521.db2.gz BZRBJHNWDPWXKA-CTNGQTDRSA-N 1 3 366.509 3.082 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513526 502005526 /nfs/dbraw/zinc/00/55/26/502005526.db2.gz BZRBJHNWDPWXKA-CTNGQTDRSA-N 1 3 366.509 3.082 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000478513526 502005531 /nfs/dbraw/zinc/00/55/31/502005531.db2.gz BZRBJHNWDPWXKA-CTNGQTDRSA-N 1 3 366.509 3.082 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475034248 502029330 /nfs/dbraw/zinc/02/93/30/502029330.db2.gz VHWBFVAMPMDFRK-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccsc21 ZINC000464656262 502056327 /nfs/dbraw/zinc/05/63/27/502056327.db2.gz LXANKFWOXCOKIB-QGZVFWFLSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccsc21 ZINC000464656262 502056332 /nfs/dbraw/zinc/05/63/32/502056332.db2.gz LXANKFWOXCOKIB-QGZVFWFLSA-N 1 3 359.539 3.389 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121750 502067200 /nfs/dbraw/zinc/06/72/00/502067200.db2.gz SELQKLAJHMHOIN-HDICACEKSA-N 1 3 364.578 3.346 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000471594215 502079485 /nfs/dbraw/zinc/07/94/85/502079485.db2.gz CBLRIDJMZPRBQL-KURKYZTESA-N 1 3 371.525 3.304 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536656 502104623 /nfs/dbraw/zinc/10/46/23/502104623.db2.gz MRIAFPLPSYOYEV-QWHCGFSZSA-N 1 3 358.313 3.231 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475373662 502152946 /nfs/dbraw/zinc/15/29/46/502152946.db2.gz YPLLAWFQAUBXLO-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c(C)c2)CC1 ZINC000475401495 502161563 /nfs/dbraw/zinc/16/15/63/502161563.db2.gz WQYNXWIGDGFIHY-QGZVFWFLSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486557883 502189574 /nfs/dbraw/zinc/18/95/74/502189574.db2.gz AAUVKPMNHLEJIA-OYRDERLMSA-N 1 3 356.535 3.424 20 0 FGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482875701 502204998 /nfs/dbraw/zinc/20/49/98/502204998.db2.gz MKIDPNQKZMSHFR-KRWDZBQOSA-N 1 3 357.542 3.159 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000461804704 502208890 /nfs/dbraw/zinc/20/88/90/502208890.db2.gz YJEYODYBDVFKGC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000461804704 502208895 /nfs/dbraw/zinc/20/88/95/502208895.db2.gz YJEYODYBDVFKGC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395517 502246108 /nfs/dbraw/zinc/24/61/08/502246108.db2.gz UTIFXVWPRKQQLX-SOAMZJECSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395517 502246114 /nfs/dbraw/zinc/24/61/14/502246114.db2.gz UTIFXVWPRKQQLX-SOAMZJECSA-N 1 3 360.546 3.097 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000465431614 502259189 /nfs/dbraw/zinc/25/91/89/502259189.db2.gz KKWJZMHEXUYPIZ-NHCUHLMSSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000465431614 502259192 /nfs/dbraw/zinc/25/91/92/502259192.db2.gz KKWJZMHEXUYPIZ-NHCUHLMSSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000465431613 502259235 /nfs/dbraw/zinc/25/92/35/502259235.db2.gz KKWJZMHEXUYPIZ-LEWJYISDSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000465431613 502259236 /nfs/dbraw/zinc/25/92/36/502259236.db2.gz KKWJZMHEXUYPIZ-LEWJYISDSA-N 1 3 374.573 3.368 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279216 /nfs/dbraw/zinc/27/92/16/502279216.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 1 3 373.585 3.378 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000479529694 502287616 /nfs/dbraw/zinc/28/76/16/502287616.db2.gz QFFUXCUAXXVZNJ-HXUWFJFHSA-N 1 3 371.912 3.409 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266916 502290472 /nfs/dbraw/zinc/29/04/72/502290472.db2.gz YCJASORBXIRBQK-JOCHJYFZSA-N 1 3 370.541 3.422 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465532770 502293188 /nfs/dbraw/zinc/29/31/88/502293188.db2.gz GYGLQQWNSGKHDT-PMACEKPBSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000465554252 502305116 /nfs/dbraw/zinc/30/51/16/502305116.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000465554252 502305121 /nfs/dbraw/zinc/30/51/21/502305121.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 1 3 372.557 3.200 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000486935334 502309241 /nfs/dbraw/zinc/30/92/41/502309241.db2.gz IPEXBIVPDJYYPH-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO Cn1nnc2cc(CN3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370012 502332871 /nfs/dbraw/zinc/33/28/71/502332871.db2.gz OXGNYOXJNWNDNB-PZJWPPBQSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@@H+]3CCCC[C@@H]3[C@H](CN)Cc3ccccc3)ccc21 ZINC000472370012 502332877 /nfs/dbraw/zinc/33/28/77/502332877.db2.gz OXGNYOXJNWNDNB-PZJWPPBQSA-N 1 3 363.509 3.140 20 0 FGADHO Cn1nnc2cc(C[N@H+]3CCCC[C@@H]3[C@H](CN)Cc3ccccc3)ccc21 ZINC000472370012 502332881 /nfs/dbraw/zinc/33/28/81/502332881.db2.gz OXGNYOXJNWNDNB-PZJWPPBQSA-N 1 3 363.509 3.140 20 0 FGADHO CC[NH+](CC)CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475970391 502347390 /nfs/dbraw/zinc/34/73/90/502347390.db2.gz PHIPQLKTTUQGLF-QFIPXVFZSA-N 1 3 372.557 3.026 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000476010602 502357178 /nfs/dbraw/zinc/35/71/78/502357178.db2.gz KGGBILDORSNZTE-SVFBPWRDSA-N 1 3 374.573 3.236 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000476010602 502357183 /nfs/dbraw/zinc/35/71/83/502357183.db2.gz KGGBILDORSNZTE-SVFBPWRDSA-N 1 3 374.573 3.236 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466038656 502462641 /nfs/dbraw/zinc/46/26/41/502462641.db2.gz KVUDQYVHOOWDSX-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCN(C2CCC2)C1 ZINC000487547283 502475231 /nfs/dbraw/zinc/47/52/31/502475231.db2.gz FYVLHILQOJVNAG-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462538053 502480396 /nfs/dbraw/zinc/48/03/96/502480396.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462538053 502480400 /nfs/dbraw/zinc/48/04/00/502480400.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000480231703 502507886 /nfs/dbraw/zinc/50/78/86/502507886.db2.gz SQPYJHAKOUWJSR-IBGZPJMESA-N 1 3 367.537 3.336 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000473299679 502562027 /nfs/dbraw/zinc/56/20/27/502562027.db2.gz HVHBXFZGHJNAKX-GOSISDBHSA-N 1 3 351.560 3.243 20 0 FGADHO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)cs2)cs1 ZINC000484143533 502581896 /nfs/dbraw/zinc/58/18/96/502581896.db2.gz UFFZQQMVXYGQOZ-GFCCVEGCSA-N 1 3 351.541 3.287 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCCc3c(O)cccc32)(N2CCCCC2)CC1 ZINC000462816702 502585295 /nfs/dbraw/zinc/58/52/95/502585295.db2.gz RNTPMJLJTKQELL-FQEVSTJZSA-N 1 3 357.542 3.310 20 0 FGADHO C[NH2+]CC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470022528 502633358 /nfs/dbraw/zinc/63/33/58/502633358.db2.gz NIDAIAPRAVLKRW-UHFFFAOYSA-N 1 3 363.303 3.066 20 0 FGADHO Cc1cccc(C(=O)NCCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463082823 502688883 /nfs/dbraw/zinc/68/88/83/502688883.db2.gz OZWFMQJGKHAYOF-UHFFFAOYSA-N 1 3 365.521 3.022 20 0 FGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488415905 502708731 /nfs/dbraw/zinc/70/87/31/502708731.db2.gz JLQLNSIXLBZPGR-MJGOQNOKSA-N 1 3 362.587 3.104 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416290 502709923 /nfs/dbraw/zinc/70/99/23/502709923.db2.gz QKOYXIYKLNJIOH-LEWJYISDSA-N 1 3 361.599 3.444 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243765 502714226 /nfs/dbraw/zinc/71/42/26/502714226.db2.gz PJDPPGLAYVAELC-VKJFTORMSA-N 1 3 371.447 3.484 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243765 502714227 /nfs/dbraw/zinc/71/42/27/502714227.db2.gz PJDPPGLAYVAELC-VKJFTORMSA-N 1 3 371.447 3.484 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000488444868 502715908 /nfs/dbraw/zinc/71/59/08/502715908.db2.gz XEGOLSZLTQNSKC-QWFCFKBJSA-N 1 3 360.546 3.097 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455286 502718420 /nfs/dbraw/zinc/71/84/20/502718420.db2.gz COMTWOREGSVIHL-RCCFBDPRSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022236 502730897 /nfs/dbraw/zinc/73/08/97/502730897.db2.gz JZDFOVDHQUBTRO-RXVVDRJESA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271122 502741867 /nfs/dbraw/zinc/74/18/67/502741867.db2.gz IOCFWVRHQKWTMA-NQIIRXRSSA-N 1 3 372.557 3.119 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024729 502782622 /nfs/dbraw/zinc/78/26/22/502782622.db2.gz QQRGTARVWLHTCE-OAQYLSRUSA-N 1 3 359.558 3.425 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974581 502790983 /nfs/dbraw/zinc/79/09/83/502790983.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974581 502790988 /nfs/dbraw/zinc/79/09/88/502790988.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000470531406 502806099 /nfs/dbraw/zinc/80/60/99/502806099.db2.gz VBWYSJYRKHVMNF-SFHLNBCPSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000470531406 502806100 /nfs/dbraw/zinc/80/61/00/502806100.db2.gz VBWYSJYRKHVMNF-SFHLNBCPSA-N 1 3 357.542 3.230 20 0 FGADHO CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000504909989 502822776 /nfs/dbraw/zinc/82/27/76/502822776.db2.gz VLTMFIVHERCXMT-SFTDATJTSA-N 1 3 357.542 3.374 20 0 FGADHO CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000504909989 502822779 /nfs/dbraw/zinc/82/27/79/502822779.db2.gz VLTMFIVHERCXMT-SFTDATJTSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072126 502844488 /nfs/dbraw/zinc/84/44/88/502844488.db2.gz YVBPCHFONNCDNR-DENIHFKCSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072126 502844493 /nfs/dbraw/zinc/84/44/93/502844493.db2.gz YVBPCHFONNCDNR-DENIHFKCSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072130 502844733 /nfs/dbraw/zinc/84/47/33/502844733.db2.gz YVBPCHFONNCDNR-SIKLNZKXSA-N 1 3 365.521 3.336 20 0 FGADHO C[C@H]1C[C@H](NCCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072130 502844737 /nfs/dbraw/zinc/84/47/37/502844737.db2.gz YVBPCHFONNCDNR-SIKLNZKXSA-N 1 3 365.521 3.336 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000495728414 502860801 /nfs/dbraw/zinc/86/08/01/502860801.db2.gz NSZKAQNTJWLOPW-RBUKOAKNSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000495728414 502860805 /nfs/dbraw/zinc/86/08/05/502860805.db2.gz NSZKAQNTJWLOPW-RBUKOAKNSA-N 1 3 363.571 3.035 20 0 FGADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058968 502870494 /nfs/dbraw/zinc/87/04/94/502870494.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058968 502870497 /nfs/dbraw/zinc/87/04/97/502870497.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 1 3 355.526 3.370 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180984 502895126 /nfs/dbraw/zinc/89/51/26/502895126.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180984 502895129 /nfs/dbraw/zinc/89/51/29/502895129.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000505632722 502955151 /nfs/dbraw/zinc/95/51/51/502955151.db2.gz JEGIVJWPLBRHNG-UWJYYQICSA-N 1 3 369.509 3.048 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571728 502968839 /nfs/dbraw/zinc/96/88/39/502968839.db2.gz GPZYYZKFYJMSLF-RTWAWAEBSA-N 1 3 357.542 3.278 20 0 FGADHO CCN(CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973395 /nfs/dbraw/zinc/97/33/95/502973395.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973402 /nfs/dbraw/zinc/97/34/02/502973402.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000497555789 502986796 /nfs/dbraw/zinc/98/67/96/502986796.db2.gz DJLFHFFMCFFHSY-UHOSZYNNSA-N 1 3 362.562 3.343 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804187 502988791 /nfs/dbraw/zinc/98/87/91/502988791.db2.gz ZXYORYODCLBXMQ-OAQYLSRUSA-N 1 3 359.558 3.192 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804187 502988795 /nfs/dbraw/zinc/98/87/95/502988795.db2.gz ZXYORYODCLBXMQ-OAQYLSRUSA-N 1 3 359.558 3.192 20 0 FGADHO CC(C)C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936286 503014353 /nfs/dbraw/zinc/01/43/53/503014353.db2.gz AWHIGIGMPDDPAN-ICSRJNTNSA-N 1 3 363.521 3.130 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000501491971 503020683 /nfs/dbraw/zinc/02/06/83/503020683.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000501491971 503020688 /nfs/dbraw/zinc/02/06/88/503020688.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501523901 503029214 /nfs/dbraw/zinc/02/92/14/503029214.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501523901 503029215 /nfs/dbraw/zinc/02/92/15/503029215.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000501547123 503034544 /nfs/dbraw/zinc/03/45/44/503034544.db2.gz RSROJLFXCSVBMS-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830258 503044138 /nfs/dbraw/zinc/04/41/38/503044138.db2.gz KBWOYXWKNMEAFV-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)CC(C)C ZINC000510331061 503093598 /nfs/dbraw/zinc/09/35/98/503093598.db2.gz IPLLCOUPIMMGST-GOSISDBHSA-N 1 3 352.567 3.013 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(OC(C)(C)C)C3)cc2)CC1 ZINC000490123841 503113335 /nfs/dbraw/zinc/11/33/35/503113335.db2.gz GASDXJUAZWOPHK-UHFFFAOYSA-N 1 3 359.558 3.260 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514221441 503116795 /nfs/dbraw/zinc/11/67/95/503116795.db2.gz HTZHGIOVNRYSNF-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514221441 503116798 /nfs/dbraw/zinc/11/67/98/503116798.db2.gz HTZHGIOVNRYSNF-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000514241229 503123041 /nfs/dbraw/zinc/12/30/41/503123041.db2.gz JBQQYTZKPAERPO-SFHVURJKSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC(C)CC1 ZINC000514241229 503123044 /nfs/dbraw/zinc/12/30/44/503123044.db2.gz JBQQYTZKPAERPO-SFHVURJKSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000510542725 503139099 /nfs/dbraw/zinc/13/90/99/503139099.db2.gz BOQJHFOLICKPHS-FXAWDEMLSA-N 1 3 358.530 3.019 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706369 503255028 /nfs/dbraw/zinc/25/50/28/503255028.db2.gz FTWNWCPKWRHKHX-YADHBBJMSA-N 1 3 359.558 3.119 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286715 /nfs/dbraw/zinc/28/67/15/503286715.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 1 3 372.557 3.213 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286718 /nfs/dbraw/zinc/28/67/18/503286718.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 1 3 372.557 3.213 20 0 FGADHO CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000511264861 503290512 /nfs/dbraw/zinc/29/05/12/503290512.db2.gz GYEAMJCNPZMZBI-QFIPXVFZSA-N 1 3 365.521 3.315 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000498917847 503293008 /nfs/dbraw/zinc/29/30/08/503293008.db2.gz IHBWGIMBYBMSLD-XYJFISCASA-N 1 3 351.560 3.414 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000502911203 503305973 /nfs/dbraw/zinc/30/59/73/503305973.db2.gz GCGBXBWOKKGJBP-MOPGFXCFSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000502911203 503305978 /nfs/dbraw/zinc/30/59/78/503305978.db2.gz GCGBXBWOKKGJBP-MOPGFXCFSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000507950694 503402900 /nfs/dbraw/zinc/40/29/00/503402900.db2.gz MTSQKKGCJHLWTE-UYAOXDASSA-N 1 3 357.542 3.428 20 0 FGADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000507950693 503403134 /nfs/dbraw/zinc/40/31/34/503403134.db2.gz MTSQKKGCJHLWTE-QUCCMNQESA-N 1 3 357.542 3.428 20 0 FGADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)sc1Br ZINC000512054581 503445447 /nfs/dbraw/zinc/44/54/47/503445447.db2.gz WMHSMFRNMCKFDL-CQSZACIVSA-N 1 3 374.392 3.497 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503686488 503458968 /nfs/dbraw/zinc/45/89/68/503458968.db2.gz AVXGGCVFUCYQAK-GOSISDBHSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N(C)C ZINC000493924145 503459954 /nfs/dbraw/zinc/45/99/54/503459954.db2.gz BFEXLBNCVSPKIJ-ZVDOUQERSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N(C)C ZINC000493924145 503459958 /nfs/dbraw/zinc/45/99/58/503459958.db2.gz BFEXLBNCVSPKIJ-ZVDOUQERSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508702656 503546887 /nfs/dbraw/zinc/54/68/87/503546887.db2.gz WEPCCNRESVAODB-VMBXEPDQSA-N 1 3 373.585 3.374 20 0 FGADHO C[C@@H](O)C[C@H]1CCCCCN1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550938 /nfs/dbraw/zinc/55/09/38/503550938.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@H]1CCCCCN1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550942 /nfs/dbraw/zinc/55/09/42/503550942.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550946 /nfs/dbraw/zinc/55/09/46/503550946.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550950 /nfs/dbraw/zinc/55/09/50/503550950.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000500102868 503554669 /nfs/dbraw/zinc/55/46/69/503554669.db2.gz ANLMSLGIJLHXIV-OYGLOCFBSA-N 1 3 360.546 3.097 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620648 503596810 /nfs/dbraw/zinc/59/68/10/503596810.db2.gz RVCZVTSOKRIVNK-QHAWAJNXSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620648 503596813 /nfs/dbraw/zinc/59/68/13/503596813.db2.gz RVCZVTSOKRIVNK-QHAWAJNXSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620648 503596815 /nfs/dbraw/zinc/59/68/15/503596815.db2.gz RVCZVTSOKRIVNK-QHAWAJNXSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620645 503597136 /nfs/dbraw/zinc/59/71/36/503597136.db2.gz RVCZVTSOKRIVNK-NJDAHSKKSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620645 503597140 /nfs/dbraw/zinc/59/71/40/503597140.db2.gz RVCZVTSOKRIVNK-NJDAHSKKSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1 ZINC000512620645 503597143 /nfs/dbraw/zinc/59/71/43/503597143.db2.gz RVCZVTSOKRIVNK-NJDAHSKKSA-N 1 3 350.510 3.218 20 0 FGADHO CN(C/C=C/c1ccncc1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000494975821 503644196 /nfs/dbraw/zinc/64/41/96/503644196.db2.gz KUFLHWKBMFDXKJ-ONEGZZNKSA-N 1 3 356.558 3.223 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500541732 503644184 /nfs/dbraw/zinc/64/41/84/503644184.db2.gz WVFDZNWWCUSRTA-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000517148991 503655596 /nfs/dbraw/zinc/65/55/96/503655596.db2.gz NVAJRTRVFGJMOA-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000517148991 503655603 /nfs/dbraw/zinc/65/56/03/503655603.db2.gz NVAJRTRVFGJMOA-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169700 503695569 /nfs/dbraw/zinc/69/55/69/503695569.db2.gz HTRJRDUSHXVDFU-BZSNNMDCSA-N 1 3 371.529 3.116 20 0 FGADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(OCCN(C)C)CC2)cc1F ZINC000546311105 503707613 /nfs/dbraw/zinc/70/76/13/503707613.db2.gz XZIZWCWNSIREAD-MRXNPFEDSA-N 1 3 352.494 3.056 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715757 /nfs/dbraw/zinc/71/57/57/503715757.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 1 3 369.553 3.292 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715759 /nfs/dbraw/zinc/71/57/59/503715759.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 1 3 369.553 3.292 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855891 503742201 /nfs/dbraw/zinc/74/22/01/503742201.db2.gz CHLIEBUOTZTZQB-BBWFWOEESA-N 1 3 373.541 3.456 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000537105319 503803232 /nfs/dbraw/zinc/80/32/32/503803232.db2.gz YQMZLTCRWYRZBK-SFHVURJKSA-N 1 3 351.922 3.169 20 0 FGADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000540594970 503827690 /nfs/dbraw/zinc/82/76/90/503827690.db2.gz RBJCMRUMBATDNH-GOSISDBHSA-N 1 3 373.541 3.036 20 0 FGADHO C[C@H](CCO)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCC1 ZINC000540644548 503843308 /nfs/dbraw/zinc/84/33/08/503843308.db2.gz NBDGBNILUJQQQS-LJQANCHMSA-N 1 3 373.585 3.495 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000517932379 503869788 /nfs/dbraw/zinc/86/97/88/503869788.db2.gz JYMBZNJUPAVVJP-OAQYLSRUSA-N 1 3 372.557 3.012 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000527638230 503870561 /nfs/dbraw/zinc/87/05/61/503870561.db2.gz HHLSMKHUTNAVBY-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO Clc1ccc(-n2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249319 503894417 /nfs/dbraw/zinc/89/44/17/503894417.db2.gz VEUXEYUMAZWTRZ-HXUWFJFHSA-N 1 3 374.916 3.116 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366661 503964835 /nfs/dbraw/zinc/96/48/35/503964835.db2.gz FOHIWEXRLSJLFS-KAGYGMCKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCCCC1 ZINC000544297793 504077326 /nfs/dbraw/zinc/07/73/26/504077326.db2.gz CQMQLAFQDRWQBH-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367984 504078444 /nfs/dbraw/zinc/07/84/44/504078444.db2.gz GDMBWKSQKXQGEY-ROUUACIJSA-N 1 3 371.525 3.019 20 0 FGADHO CC[C@@H](C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812501 504093793 /nfs/dbraw/zinc/09/37/93/504093793.db2.gz RXBWATHCTLJQKZ-LEWJYISDSA-N 1 3 359.558 3.306 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000537992139 504104565 /nfs/dbraw/zinc/10/45/65/504104565.db2.gz SHHIAGGVLYXTGA-QFIPXVFZSA-N 1 3 359.558 3.384 20 0 FGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000544370500 504106375 /nfs/dbraw/zinc/10/63/75/504106375.db2.gz FVHVDRAEOOPVHT-WIYYLYMNSA-N 1 3 357.542 3.428 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385300 504112268 /nfs/dbraw/zinc/11/22/68/504112268.db2.gz KCFDFVYZUBDXFB-WMLDXEAASA-N 1 3 358.448 3.373 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385300 504112273 /nfs/dbraw/zinc/11/22/73/504112273.db2.gz KCFDFVYZUBDXFB-WMLDXEAASA-N 1 3 358.448 3.373 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385297 504112948 /nfs/dbraw/zinc/11/29/48/504112948.db2.gz KCFDFVYZUBDXFB-PBHICJAKSA-N 1 3 358.448 3.373 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385297 504112952 /nfs/dbraw/zinc/11/29/52/504112952.db2.gz KCFDFVYZUBDXFB-PBHICJAKSA-N 1 3 358.448 3.373 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000518998578 504114751 /nfs/dbraw/zinc/11/47/51/504114751.db2.gz NWSXIALFICDYSV-IBGZPJMESA-N 1 3 366.594 3.262 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000518998578 504114757 /nfs/dbraw/zinc/11/47/57/504114757.db2.gz NWSXIALFICDYSV-IBGZPJMESA-N 1 3 366.594 3.262 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000534347832 504119700 /nfs/dbraw/zinc/11/97/00/504119700.db2.gz UYMIIPWNKPURLF-UHFFFAOYSA-N 1 3 370.497 3.358 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000534347832 504119706 /nfs/dbraw/zinc/11/97/06/504119706.db2.gz UYMIIPWNKPURLF-UHFFFAOYSA-N 1 3 370.497 3.358 20 0 FGADHO CCN1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000538051614 504124969 /nfs/dbraw/zinc/12/49/69/504124969.db2.gz JGPDZCIFRSNWJX-UHFFFAOYSA-N 1 3 374.529 3.111 20 0 FGADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000538159419 504149533 /nfs/dbraw/zinc/14/95/33/504149533.db2.gz FMIQIPIIPSYXEK-MRXNPFEDSA-N 1 3 369.431 3.275 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542757 504170644 /nfs/dbraw/zinc/17/06/44/504170644.db2.gz DEVMTXRDFFUSPR-SFTDATJTSA-N 1 3 357.473 3.137 20 0 FGADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542757 504170648 /nfs/dbraw/zinc/17/06/48/504170648.db2.gz DEVMTXRDFFUSPR-SFTDATJTSA-N 1 3 357.473 3.137 20 0 FGADHO CCCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000544595071 504185097 /nfs/dbraw/zinc/18/50/97/504185097.db2.gz PMKFUTLQFKIHBE-UHFFFAOYSA-N 1 3 359.558 3.325 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640879 504201852 /nfs/dbraw/zinc/20/18/52/504201852.db2.gz LYFSGLWLHRVOEW-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640879 504201858 /nfs/dbraw/zinc/20/18/58/504201858.db2.gz LYFSGLWLHRVOEW-XMSQKQJNSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519361819 504202434 /nfs/dbraw/zinc/20/24/34/504202434.db2.gz FJNSQSRFRKEFDC-HKUYNNGSSA-N 1 3 361.505 3.028 20 0 FGADHO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528709493 504342457 /nfs/dbraw/zinc/34/24/57/504342457.db2.gz WJAIJWULBOJKMH-UHFFFAOYSA-N 1 3 374.529 3.289 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21)C1CCN(C)CC1 ZINC000538792581 504373422 /nfs/dbraw/zinc/37/34/22/504373422.db2.gz ZPKOXRAMXWCHNQ-DENIHFKCSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21)C1CCN(C)CC1 ZINC000538792581 504373424 /nfs/dbraw/zinc/37/34/24/504373424.db2.gz ZPKOXRAMXWCHNQ-DENIHFKCSA-N 1 3 357.542 3.218 20 0 FGADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000539075899 504465740 /nfs/dbraw/zinc/46/57/40/504465740.db2.gz NPSMYEMBXXSUMJ-UHFFFAOYSA-N 1 3 355.526 3.288 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000520378582 504482500 /nfs/dbraw/zinc/48/25/00/504482500.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000520378582 504482504 /nfs/dbraw/zinc/48/25/04/504482504.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 1 3 374.573 3.318 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CC)C1 ZINC000520379712 504483988 /nfs/dbraw/zinc/48/39/88/504483988.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CC)C1 ZINC000520379712 504483990 /nfs/dbraw/zinc/48/39/90/504483990.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 1 3 352.567 3.061 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624260 504488971 /nfs/dbraw/zinc/48/89/71/504488971.db2.gz LQAJWKDZEDOLDQ-TZIWHRDSSA-N 1 3 357.542 3.364 20 0 FGADHO CC(C)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624260 504488975 /nfs/dbraw/zinc/48/89/75/504488975.db2.gz LQAJWKDZEDOLDQ-TZIWHRDSSA-N 1 3 357.542 3.364 20 0 FGADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cncs3)cc2)C[C@H]1C ZINC000539223686 504502008 /nfs/dbraw/zinc/50/20/08/504502008.db2.gz JJIVQARNFWFAPO-CALCHBBNSA-N 1 3 359.539 3.442 20 0 FGADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cncs3)cc2)C[C@H]1C ZINC000539223686 504502012 /nfs/dbraw/zinc/50/20/12/504502012.db2.gz JJIVQARNFWFAPO-CALCHBBNSA-N 1 3 359.539 3.442 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734733 504569578 /nfs/dbraw/zinc/56/95/78/504569578.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 1 3 373.516 3.171 20 0 FGADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520734733 504569580 /nfs/dbraw/zinc/56/95/80/504569580.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 1 3 373.516 3.171 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532239204 504582498 /nfs/dbraw/zinc/58/24/98/504582498.db2.gz VAFNNACIMMVNKC-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532239204 504582502 /nfs/dbraw/zinc/58/25/02/504582502.db2.gz VAFNNACIMMVNKC-CVEARBPZSA-N 1 3 351.922 3.008 20 0 FGADHO CN(CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786718 504610373 /nfs/dbraw/zinc/61/03/73/504610373.db2.gz PZXOXJYLFLRHLO-JXFKEZNVSA-N 1 3 372.538 3.169 20 0 FGADHO CC(C)[NH+](CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000520954530 504615199 /nfs/dbraw/zinc/61/51/99/504615199.db2.gz LNKBZNYBQWEHDG-IBGZPJMESA-N 1 3 363.521 3.273 20 0 FGADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC[C@H](C)C1 ZINC000521167215 504668175 /nfs/dbraw/zinc/66/81/75/504668175.db2.gz HCOICWPOUIJIML-RBUKOAKNSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246859 504691777 /nfs/dbraw/zinc/69/17/77/504691777.db2.gz YBRWTLGOQIRNMG-GUDVDZBRSA-N 1 3 357.542 3.379 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000521520014 504751635 /nfs/dbraw/zinc/75/16/35/504751635.db2.gz NOCXTOJTSYDFRK-OAQYLSRUSA-N 1 3 374.573 3.361 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000529662567 504754217 /nfs/dbraw/zinc/75/42/17/504754217.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 1 3 373.585 3.331 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)(N2CCOCC2)CC1 ZINC000529662567 504754220 /nfs/dbraw/zinc/75/42/20/504754220.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 1 3 373.585 3.331 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)(N2CCOCC2)CC1 ZINC000529662567 504754224 /nfs/dbraw/zinc/75/42/24/504754224.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 1 3 373.585 3.331 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532838161 504765194 /nfs/dbraw/zinc/76/51/94/504765194.db2.gz DCPYAQFBAGCDLW-RTBURBONSA-N 1 3 360.546 3.069 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549590452 504855979 /nfs/dbraw/zinc/85/59/79/504855979.db2.gz HMOUFKPKUMRWJR-FQEVSTJZSA-N 1 3 374.573 3.270 20 0 FGADHO Cc1[nH]nc2ncc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)cc12 ZINC000556429480 504871838 /nfs/dbraw/zinc/87/18/38/504871838.db2.gz ASJDKWIHTALYGZ-UHFFFAOYSA-N 1 3 365.481 3.029 20 0 FGADHO CC(C)N1CCCC[C@H]1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000559794580 504929042 /nfs/dbraw/zinc/92/90/42/504929042.db2.gz ZBHHDVHFMMMWGZ-QFIPXVFZSA-N 1 3 358.574 3.283 20 0 FGADHO CC(C)N1CCCC[C@H]1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000559794580 504929047 /nfs/dbraw/zinc/92/90/47/504929047.db2.gz ZBHHDVHFMMMWGZ-QFIPXVFZSA-N 1 3 358.574 3.283 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 ZINC000553525802 504940097 /nfs/dbraw/zinc/94/00/97/504940097.db2.gz KQWRRHKJFONWCM-SFHVURJKSA-N 1 3 357.542 3.475 20 0 FGADHO CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000556864180 504999466 /nfs/dbraw/zinc/99/94/66/504999466.db2.gz CNUGWFUTFCUDIA-YMPZKCBVSA-N 1 3 369.553 3.278 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262680 505005458 /nfs/dbraw/zinc/00/54/58/505005458.db2.gz NQMBSIPRCUWJKY-UXHICEINSA-N 1 3 360.567 3.400 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1)C1CC1 ZINC000553774989 505006226 /nfs/dbraw/zinc/00/62/26/505006226.db2.gz PKQHTZXQCKLECW-UWJYYQICSA-N 1 3 355.526 3.370 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553875665 505030611 /nfs/dbraw/zinc/03/06/11/505030611.db2.gz KHQPRYNWRXHULS-QZTJIDSGSA-N 1 3 364.534 3.006 20 0 FGADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000563122786 505053665 /nfs/dbraw/zinc/05/36/65/505053665.db2.gz DMJGFNHOZQTMLZ-HAGHYFMRSA-N 1 3 355.526 3.171 20 0 FGADHO [NH3+]C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000557137430 505075887 /nfs/dbraw/zinc/07/58/87/505075887.db2.gz MVVJNOGYNZZEEJ-INIZCTEOSA-N 1 3 364.559 3.236 20 0 FGADHO Cc1nc2ccccc2n1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089578 505076955 /nfs/dbraw/zinc/07/69/55/505076955.db2.gz RRXSIHZGIYQBDN-KNQAVFIVSA-N 1 3 362.477 3.190 20 0 FGADHO C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1)c1ccc(Cl)cc1 ZINC000566131805 505092353 /nfs/dbraw/zinc/09/23/53/505092353.db2.gz PPZIIDRTAMFNFW-KHYOSLBOSA-N 1 3 352.906 3.019 20 0 FGADHO CN(C)C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506143 505107204 /nfs/dbraw/zinc/10/72/04/505107204.db2.gz IZDGMQZENDXBTM-MJGOQNOKSA-N 1 3 365.949 3.366 20 0 FGADHO CN(C)C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506143 505107207 /nfs/dbraw/zinc/10/72/07/505107207.db2.gz IZDGMQZENDXBTM-MJGOQNOKSA-N 1 3 365.949 3.366 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000560533655 505117496 /nfs/dbraw/zinc/11/74/96/505117496.db2.gz UNBXDXTWXVHYBA-ILWGZMRPSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000560533655 505117499 /nfs/dbraw/zinc/11/74/99/505117499.db2.gz UNBXDXTWXVHYBA-ILWGZMRPSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000560533655 505117500 /nfs/dbraw/zinc/11/75/00/505117500.db2.gz UNBXDXTWXVHYBA-ILWGZMRPSA-N 1 3 350.510 3.300 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1 ZINC000554218416 505118960 /nfs/dbraw/zinc/11/89/60/505118960.db2.gz OJRKPQPLLPRBJW-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO COC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882539 505119841 /nfs/dbraw/zinc/11/98/41/505119841.db2.gz NIRORGBZFYSEMM-ITAUSPCMSA-N 1 3 372.553 3.462 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4[C@H]3C)CC2)CC1 ZINC000563386272 505129080 /nfs/dbraw/zinc/12/90/80/505129080.db2.gz VRNSLEJXJFFFIB-QGZVFWFLSA-N 1 3 355.526 3.286 20 0 FGADHO CC[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000566407186 505166429 /nfs/dbraw/zinc/16/64/29/505166429.db2.gz NPOUBZKSDLTUAW-RBUKOAKNSA-N 1 3 350.551 3.003 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000557615660 505182702 /nfs/dbraw/zinc/18/27/02/505182702.db2.gz WJUSPGQNIVYEQN-YFVAEKQCSA-N 1 3 361.574 3.362 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)C1 ZINC000563607656 505191169 /nfs/dbraw/zinc/19/11/69/505191169.db2.gz CABFWGIYCKSAIT-RTBURBONSA-N 1 3 374.916 3.448 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899038 505209831 /nfs/dbraw/zinc/20/98/31/505209831.db2.gz DGWWHAAFGJRXGP-WMZOPIPTSA-N 1 3 357.523 3.121 20 0 FGADHO C[C@H]1C[C@@H](NCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899038 505209833 /nfs/dbraw/zinc/20/98/33/505209833.db2.gz DGWWHAAFGJRXGP-WMZOPIPTSA-N 1 3 357.523 3.121 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921084 505211181 /nfs/dbraw/zinc/21/11/81/505211181.db2.gz VVAXCPPZKBUQDX-YZGWKJHDSA-N 1 3 350.547 3.347 20 0 FGADHO COc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979712 505221155 /nfs/dbraw/zinc/22/11/55/505221155.db2.gz PFYHGVQAZIYCII-ICSRJNTNSA-N 1 3 362.514 3.201 20 0 FGADHO C[C@](CO)(CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804496 505244076 /nfs/dbraw/zinc/24/40/76/505244076.db2.gz PTLZNJUYPMGLQY-MDNUFGMLSA-N 1 3 366.505 3.073 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H](C)[C@H]3C)CC2)CC1 ZINC000566747235 505262847 /nfs/dbraw/zinc/26/28/47/505262847.db2.gz FBMZBKCKEDKKMP-NSHGMRRFSA-N 1 3 363.590 3.371 20 0 FGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000551749909 505298379 /nfs/dbraw/zinc/29/83/79/505298379.db2.gz NRPIFWDOAOKFKD-QGZVFWFLSA-N 1 3 363.521 3.225 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000551749909 505298382 /nfs/dbraw/zinc/29/83/82/505298382.db2.gz NRPIFWDOAOKFKD-QGZVFWFLSA-N 1 3 363.521 3.225 20 0 FGADHO CSC1(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC[NH+](C)CC1 ZINC000561401187 505336715 /nfs/dbraw/zinc/33/67/15/505336715.db2.gz LMZVELMJOZTKJP-UHFFFAOYSA-N 1 3 364.946 3.443 20 0 FGADHO COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000555125135 505356992 /nfs/dbraw/zinc/35/69/92/505356992.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[N@H+]3C)CCN2C2CC2)c1 ZINC000555125135 505356994 /nfs/dbraw/zinc/35/69/94/505356994.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@H]([NH2+]CC[C@H]3CCCCN3C)CCN2C2CC2)c1 ZINC000555125135 505356997 /nfs/dbraw/zinc/35/69/97/505356997.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000555125136 505357190 /nfs/dbraw/zinc/35/71/90/505357190.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[N@H+]3C)CCN2C2CC2)c1 ZINC000555125136 505357192 /nfs/dbraw/zinc/35/71/92/505357192.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@H]([NH2+]CC[C@@H]3CCCCN3C)CCN2C2CC2)c1 ZINC000555125136 505357193 /nfs/dbraw/zinc/35/71/93/505357193.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000558403969 505378106 /nfs/dbraw/zinc/37/81/06/505378106.db2.gz UNUWUNFTHDOATE-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO CN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552043956 505380335 /nfs/dbraw/zinc/38/03/35/505380335.db2.gz IERNONIFXQDNEQ-CEXWTWQISA-N 1 3 351.604 3.201 20 0 FGADHO CSC1(CNCc2c(C(C)C)nc3sc(C)nn23)CC[NH+](C)CC1 ZINC000564376518 505399455 /nfs/dbraw/zinc/39/94/55/505399455.db2.gz FRYULZLJFPLYBR-UHFFFAOYSA-N 1 3 367.588 3.140 20 0 FGADHO Cc1cc(Cl)cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000555532265 505448212 /nfs/dbraw/zinc/44/82/12/505448212.db2.gz MCQJAQDGBREWJT-UHFFFAOYSA-N 1 3 358.917 3.345 20 0 FGADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000564674255 505489285 /nfs/dbraw/zinc/48/92/85/505489285.db2.gz CDUJKVBRPSOCSW-VQTJNVASSA-N 1 3 357.542 3.427 20 0 FGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])s2)cs1 ZINC000564791833 505520976 /nfs/dbraw/zinc/52/09/76/505520976.db2.gz OCMAZKADUWPLKC-TUKIKUTGSA-N 1 3 351.541 3.064 20 0 FGADHO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)s2)cs1 ZINC000564791833 505520980 /nfs/dbraw/zinc/52/09/80/505520980.db2.gz OCMAZKADUWPLKC-TUKIKUTGSA-N 1 3 351.541 3.064 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000564802289 505524560 /nfs/dbraw/zinc/52/45/60/505524560.db2.gz ZJMVWSORWAMVKH-PGRDOPGGSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000564802289 505524563 /nfs/dbraw/zinc/52/45/63/505524563.db2.gz ZJMVWSORWAMVKH-PGRDOPGGSA-N 1 3 369.553 3.377 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000552818317 505559761 /nfs/dbraw/zinc/55/97/61/505559761.db2.gz JZXMLSBRJNCRCS-GHTZIAJQSA-N 1 3 373.541 3.069 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818317 505559762 /nfs/dbraw/zinc/55/97/62/505559762.db2.gz JZXMLSBRJNCRCS-GHTZIAJQSA-N 1 3 373.541 3.069 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(=O)OC)CCCC2)CC1 ZINC000612404615 506566750 /nfs/dbraw/zinc/56/67/50/506566750.db2.gz VODHRHJTKXZHAF-UHFFFAOYSA-N 1 3 373.541 3.042 20 0 FGADHO C[C@H]1CN(Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000589639027 506615473 /nfs/dbraw/zinc/61/54/73/506615473.db2.gz NWXQLRRNVMDRSY-IRXDYDNUSA-N 1 3 364.493 3.462 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@@H](C)O1 ZINC000589639026 506616051 /nfs/dbraw/zinc/61/60/51/506616051.db2.gz NWXQLRRNVMDRSY-IAGOWNOFSA-N 1 3 364.493 3.462 20 0 FGADHO CC(C)(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H](N)c1ccccc1 ZINC000583193465 506643049 /nfs/dbraw/zinc/64/30/49/506643049.db2.gz IVEBSNGGUHISPW-INIZCTEOSA-N 1 3 358.511 3.275 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1Cl ZINC000583260963 506682408 /nfs/dbraw/zinc/68/24/08/506682408.db2.gz CZNQJPQJSCMVFI-QGZVFWFLSA-N 1 3 373.884 3.106 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317084 506713753 /nfs/dbraw/zinc/71/37/53/506713753.db2.gz PHNAJNUKHHTGMK-PKOBYXMFSA-N 1 3 363.505 3.229 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317084 506713769 /nfs/dbraw/zinc/71/37/69/506713769.db2.gz PHNAJNUKHHTGMK-PKOBYXMFSA-N 1 3 363.505 3.229 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184567 506740860 /nfs/dbraw/zinc/74/08/60/506740860.db2.gz XSBVKBVDOZYUBN-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604184567 506740864 /nfs/dbraw/zinc/74/08/64/506740864.db2.gz XSBVKBVDOZYUBN-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO C[NH+](C)CC1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590125820 506744299 /nfs/dbraw/zinc/74/42/99/506744299.db2.gz NUOADWXVYZXQDF-AWEZNQCLSA-N 1 3 361.313 3.007 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604202776 506750885 /nfs/dbraw/zinc/75/08/85/506750885.db2.gz ZSUBYJANTPNTFW-OAQYLSRUSA-N 1 3 372.557 3.197 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593829984 506794436 /nfs/dbraw/zinc/79/44/36/506794436.db2.gz GKBVTUCANHYHOK-FPOVZHCZSA-N 1 3 373.516 3.125 20 0 FGADHO O[C@H]1CCN(Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186124 506822575 /nfs/dbraw/zinc/82/25/75/506822575.db2.gz FJSPDYQIHKBLTI-NRFANRHFSA-N 1 3 356.535 3.276 20 0 FGADHO Cc1cccc2sc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c21 ZINC000590817426 506978487 /nfs/dbraw/zinc/97/84/87/506978487.db2.gz JQSWIQTXZYICOX-UHFFFAOYSA-N 1 3 367.946 3.429 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921541 507052542 /nfs/dbraw/zinc/05/25/42/507052542.db2.gz JGXHGTDWHFBBKQ-UTKZUKDTSA-N 1 3 372.557 3.326 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921541 507052549 /nfs/dbraw/zinc/05/25/49/507052549.db2.gz JGXHGTDWHFBBKQ-UTKZUKDTSA-N 1 3 372.557 3.326 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491522 507117280 /nfs/dbraw/zinc/11/72/80/507117280.db2.gz VVLSDXDSIWRHTP-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491522 507117285 /nfs/dbraw/zinc/11/72/85/507117285.db2.gz VVLSDXDSIWRHTP-NRFANRHFSA-N 1 3 362.558 3.487 20 0 FGADHO Cc1cnc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000584169966 507191981 /nfs/dbraw/zinc/19/19/81/507191981.db2.gz SRRBRWBLMOUQQJ-BGYRXZFFSA-N 1 3 359.558 3.452 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438015 507249409 /nfs/dbraw/zinc/24/94/09/507249409.db2.gz PEEOOHSQGLYUNB-FXAWDEMLSA-N 1 3 373.541 3.010 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591541849 507282460 /nfs/dbraw/zinc/28/24/60/507282460.db2.gz OGYUQDVZWNNZRD-RTWAWAEBSA-N 1 3 374.573 3.271 20 0 FGADHO C[N@H+](CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CCCCC1 ZINC000591558215 507291136 /nfs/dbraw/zinc/29/11/36/507291136.db2.gz ATQLIPIJRLHKFO-HXUWFJFHSA-N 1 3 364.578 3.301 20 0 FGADHO C[N@@H+](CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CCCCC1 ZINC000591558215 507291143 /nfs/dbraw/zinc/29/11/43/507291143.db2.gz ATQLIPIJRLHKFO-HXUWFJFHSA-N 1 3 364.578 3.301 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000584415542 507333550 /nfs/dbraw/zinc/33/35/50/507333550.db2.gz MYGFCRKKKCZFTM-HOCLYGCPSA-N 1 3 353.938 3.268 20 0 FGADHO C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692342 507483321 /nfs/dbraw/zinc/48/33/21/507483321.db2.gz QAHFPHYLRRLVCQ-MSOLQXFVSA-N 1 3 372.557 3.242 20 0 FGADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN2CCCC[C@H]2C)C1 ZINC000595407422 507483541 /nfs/dbraw/zinc/48/35/41/507483541.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 1 3 373.541 3.011 20 0 FGADHO CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN2CCCC[C@H]2C)C1 ZINC000595407422 507483547 /nfs/dbraw/zinc/48/35/47/507483547.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 1 3 373.541 3.011 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000606703736 507489876 /nfs/dbraw/zinc/48/98/76/507489876.db2.gz BTJTVJLSJBIHGW-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000598633792 507526245 /nfs/dbraw/zinc/52/62/45/507526245.db2.gz OHEUAULJLPWRPI-UHFFFAOYSA-N 1 3 369.509 3.353 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000598633792 507526250 /nfs/dbraw/zinc/52/62/50/507526250.db2.gz OHEUAULJLPWRPI-UHFFFAOYSA-N 1 3 369.509 3.353 20 0 FGADHO Cc1ccccc1[C@H](CC(C)C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607244249 507668564 /nfs/dbraw/zinc/66/85/64/507668564.db2.gz PGOBHDLXANRKIU-FQEVSTJZSA-N 1 3 362.562 3.217 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101517 507762343 /nfs/dbraw/zinc/76/23/43/507762343.db2.gz CEOQEZPIINDEGO-CTNGQTDRSA-N 1 3 373.516 3.125 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106091 507763965 /nfs/dbraw/zinc/76/39/65/507763965.db2.gz DGQUEMOEZRKFPD-KRWDZBQOSA-N 1 3 353.457 3.112 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106091 507763967 /nfs/dbraw/zinc/76/39/67/507763967.db2.gz DGQUEMOEZRKFPD-KRWDZBQOSA-N 1 3 353.457 3.112 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000088727820 700381032 /nfs/dbraw/zinc/38/10/32/700381032.db2.gz NMCKBZJJFZAKOB-FQEVSTJZSA-N 1 3 359.539 3.103 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180458743 705740898 /nfs/dbraw/zinc/74/08/98/705740898.db2.gz HBCSVIQYIQSOFI-KZNAEPCWSA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201392 713549080 /nfs/dbraw/zinc/54/90/80/713549080.db2.gz MFQBKHOAIGVYSE-PXNSSMCTSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CN1CCCC1 ZINC000237334531 713590484 /nfs/dbraw/zinc/59/04/84/713590484.db2.gz NQZZGDJOOJMVPF-OOKSDGMUSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000301467115 713782124 /nfs/dbraw/zinc/78/21/24/713782124.db2.gz ZQKJMRMECJNNTK-KZNAEPCWSA-N 1 3 353.551 3.391 20 0 FGADHO CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000617502732 714662901 /nfs/dbraw/zinc/66/29/01/714662901.db2.gz ZZCCNNXJFKHQNY-HNNXBMFYSA-N 1 3 369.937 3.129 20 0 FGADHO CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000617502732 714662903 /nfs/dbraw/zinc/66/29/03/714662903.db2.gz ZZCCNNXJFKHQNY-HNNXBMFYSA-N 1 3 369.937 3.129 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119931 715476593 /nfs/dbraw/zinc/47/65/93/715476593.db2.gz MUSDEQNEROJJHX-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119931 715476595 /nfs/dbraw/zinc/47/65/95/715476595.db2.gz MUSDEQNEROJJHX-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119931 715476598 /nfs/dbraw/zinc/47/65/98/715476598.db2.gz MUSDEQNEROJJHX-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1OC ZINC000624121254 715477433 /nfs/dbraw/zinc/47/74/33/715477433.db2.gz RFQQIFRFBBKHSC-SJORKVTESA-N 1 3 350.503 3.103 20 0 FGADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(N)CCOCC3)s2)cc1 ZINC000629521640 716302380 /nfs/dbraw/zinc/30/23/80/716302380.db2.gz PRTDJISEOFSSPW-ZDUSSCGKSA-N 1 3 361.511 3.286 20 0 FGADHO COCCC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1 ZINC000629520713 716303058 /nfs/dbraw/zinc/30/30/58/716303058.db2.gz HLALQVOMAXHSAJ-INIZCTEOSA-N 1 3 371.319 3.014 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000644548811 718121779 /nfs/dbraw/zinc/12/17/79/718121779.db2.gz FAOKJKXKMYPTFO-OAHLLOKOSA-N 1 3 350.812 3.065 20 0 FGADHO C[C@H]1C[C@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479521 718818770 /nfs/dbraw/zinc/81/87/70/718818770.db2.gz HHBVQGYOHSEUTI-XOYOTBSWSA-N 1 3 355.448 3.089 20 0 FGADHO C[C@H]1C[C@H](N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479521 718818772 /nfs/dbraw/zinc/81/87/72/718818772.db2.gz HHBVQGYOHSEUTI-XOYOTBSWSA-N 1 3 355.448 3.089 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191352 718921838 /nfs/dbraw/zinc/92/18/38/718921838.db2.gz RYJQLSLGISTXLF-QGZVFWFLSA-N 1 3 366.937 3.151 20 0 FGADHO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2[nH]cnc21 ZINC001164628842 719086101 /nfs/dbraw/zinc/08/61/01/719086101.db2.gz OZGWKNYTTLVPFQ-GJZGRUSLSA-N 1 3 368.872 3.107 20 0 FGADHO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2[nH]cnc21 ZINC001164628842 719086105 /nfs/dbraw/zinc/08/61/05/719086105.db2.gz OZGWKNYTTLVPFQ-GJZGRUSLSA-N 1 3 368.872 3.107 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629612 719106585 /nfs/dbraw/zinc/10/65/85/719106585.db2.gz SWAPGAQODLAZLK-CTNGQTDRSA-N 1 3 359.477 3.368 20 0 FGADHO c1cn(-c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629612 719106588 /nfs/dbraw/zinc/10/65/88/719106588.db2.gz SWAPGAQODLAZLK-CTNGQTDRSA-N 1 3 359.477 3.368 20 0 FGADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655688709 719325954 /nfs/dbraw/zinc/32/59/54/719325954.db2.gz BNDXBZCGZMNMMR-WOJBJXKFSA-N 1 3 365.587 3.364 20 0 FGADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655688706 719326081 /nfs/dbraw/zinc/32/60/81/719326081.db2.gz BNDXBZCGZMNMMR-PMACEKPBSA-N 1 3 365.587 3.364 20 0 FGADHO CC(C)[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000657888205 719725248 /nfs/dbraw/zinc/72/52/48/719725248.db2.gz PIMSBSQUHZLWCV-INIZCTEOSA-N 1 3 373.310 3.332 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC000662284219 720409965 /nfs/dbraw/zinc/40/99/65/720409965.db2.gz MDIMAQNVPYWDJV-DJIMGWMZSA-N 1 3 356.482 3.418 20 0 FGADHO CN(C)C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532311 720438868 /nfs/dbraw/zinc/43/88/68/720438868.db2.gz PUJZPQLQJRJCGR-OALUTQOASA-N 1 3 357.885 3.294 20 0 FGADHO CN(C)C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532310 720438948 /nfs/dbraw/zinc/43/89/48/720438948.db2.gz PUJZPQLQJRJCGR-MOPGFXCFSA-N 1 3 357.885 3.294 20 0 FGADHO Brc1cccc(-c2c[nH]c(CN[C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000666953702 721004704 /nfs/dbraw/zinc/00/47/04/721004704.db2.gz FOLZCOPSSWKEEY-OAHLLOKOSA-N 1 3 361.287 3.071 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953957 721004898 /nfs/dbraw/zinc/00/48/98/721004898.db2.gz LUNQSKAIGFMGAT-WMZOPIPTSA-N 1 3 350.890 3.130 20 0 FGADHO COc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000667107505 721031832 /nfs/dbraw/zinc/03/18/32/721031832.db2.gz YMVJYIXYFKXCAQ-AWEZNQCLSA-N 1 3 370.925 3.051 20 0 FGADHO COc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000667107505 721031838 /nfs/dbraw/zinc/03/18/38/721031838.db2.gz YMVJYIXYFKXCAQ-AWEZNQCLSA-N 1 3 370.925 3.051 20 0 FGADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1C ZINC000667280540 721065500 /nfs/dbraw/zinc/06/55/00/721065500.db2.gz KOVQSRIBWIKIDE-AWEZNQCLSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1C ZINC000667280540 721065507 /nfs/dbraw/zinc/06/55/07/721065507.db2.gz KOVQSRIBWIKIDE-AWEZNQCLSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1cccc(N(c2cc(CN(C)C)ccn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777830 721329372 /nfs/dbraw/zinc/32/93/72/721329372.db2.gz RHKQDOHFUYIZJM-RBBKRZOGSA-N 1 3 366.509 3.111 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583623 721469020 /nfs/dbraw/zinc/46/90/20/721469020.db2.gz LKESMJXGPIHAHE-QZTJIDSGSA-N 1 3 366.937 3.164 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3nccs3)cc2)C[C@H]1C ZINC000678733351 721974810 /nfs/dbraw/zinc/97/48/10/721974810.db2.gz IOKNHPYNXBKQMR-IAGOWNOFSA-N 1 3 359.539 3.442 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725310 /nfs/dbraw/zinc/72/53/10/722725310.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 1 3 368.949 3.441 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725312 /nfs/dbraw/zinc/72/53/12/722725312.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 1 3 368.949 3.441 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@H](C)O1 ZINC000753367948 722895925 /nfs/dbraw/zinc/89/59/25/722895925.db2.gz LAFKZIQXSUUDCK-HOTGVXAUSA-N 1 3 360.527 3.184 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618037 723356084 /nfs/dbraw/zinc/35/60/84/723356084.db2.gz ZFSJABXKAKXIGI-GOSISDBHSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618037 723356089 /nfs/dbraw/zinc/35/60/89/723356089.db2.gz ZFSJABXKAKXIGI-GOSISDBHSA-N 1 3 353.551 3.440 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796697412 723650677 /nfs/dbraw/zinc/65/06/77/723650677.db2.gz XADLOGFJUJSNRS-INIZCTEOSA-N 1 3 353.938 3.335 20 0 FGADHO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000797981650 723894920 /nfs/dbraw/zinc/89/49/20/723894920.db2.gz SDEZEVVVBYUREZ-SJORKVTESA-N 1 3 353.551 3.486 20 0 FGADHO C[NH+]1CCC(CNCc2nc3ccc(Br)cc3s2)CC1 ZINC000774991118 723949063 /nfs/dbraw/zinc/94/90/63/723949063.db2.gz MZZGCDFASYMKIP-UHFFFAOYSA-N 1 3 354.317 3.490 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)cc1CN1CCCCC1 ZINC000775416259 723989454 /nfs/dbraw/zinc/98/94/54/723989454.db2.gz XODVRXOLGIZVIG-LEHBWIKQSA-N 1 3 366.571 3.489 20 0 FGADHO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000775579709 724002972 /nfs/dbraw/zinc/00/29/72/724002972.db2.gz DTLRDMLAQXLQQI-IRXDYDNUSA-N 1 3 351.535 3.240 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000800495750 724202962 /nfs/dbraw/zinc/20/29/62/724202962.db2.gz DRDWBMDUNHBLLX-INIZCTEOSA-N 1 3 355.320 3.335 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CN1CCCC1 ZINC000788548707 725072039 /nfs/dbraw/zinc/07/20/39/725072039.db2.gz SIOOGOLXDMAFET-SQNIBIBYSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)NC(=O)OC(C)(C)C ZINC000811494583 725369514 /nfs/dbraw/zinc/36/95/14/725369514.db2.gz YAODGOJIPFXZLB-KRWDZBQOSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)C[C@@H](C[N@H+]1CCCC12CCN(C)CC2)NC(=O)OC(C)(C)C ZINC000811494583 725369516 /nfs/dbraw/zinc/36/95/16/725369516.db2.gz YAODGOJIPFXZLB-KRWDZBQOSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)C[C@@H](CN1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494583 725369518 /nfs/dbraw/zinc/36/95/18/725369518.db2.gz YAODGOJIPFXZLB-KRWDZBQOSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816556545 727175438 /nfs/dbraw/zinc/17/54/38/727175438.db2.gz MGFCCHYDOJQLIL-OAHLLOKOSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596823 729291411 /nfs/dbraw/zinc/29/14/11/729291411.db2.gz WEUBEHDAUSLGQO-UWVAXJGDSA-N 1 3 351.535 3.098 20 0 FGADHO C[N@H+](CCCCNCc1ccccc1I)C1CC1 ZINC000835061262 729854316 /nfs/dbraw/zinc/85/43/16/729854316.db2.gz GQKJBWKYLGWKFQ-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO C[N@@H+](CCCCNCc1ccccc1I)C1CC1 ZINC000835061262 729854319 /nfs/dbraw/zinc/85/43/19/729854319.db2.gz GQKJBWKYLGWKFQ-UHFFFAOYSA-N 1 3 358.267 3.255 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856003 730281500 /nfs/dbraw/zinc/28/15/00/730281500.db2.gz KUXQSXJAQHMCFJ-SJORKVTESA-N 1 3 360.889 3.030 20 0 FGADHO COC(=O)c1cccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)c1 ZINC000843354869 730609760 /nfs/dbraw/zinc/60/97/60/730609760.db2.gz IJXBIWQXLYAOSS-UHFFFAOYSA-N 1 3 359.495 3.298 20 0 FGADHO COC(=O)c1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000843354916 730610021 /nfs/dbraw/zinc/61/00/21/730610021.db2.gz LGSAYFIDTRKCDK-UHFFFAOYSA-N 1 3 359.495 3.298 20 0 FGADHO CC(C)Oc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000849275548 731240561 /nfs/dbraw/zinc/24/05/61/731240561.db2.gz SDZSINRYPWMHNY-INIZCTEOSA-N 1 3 366.575 3.032 20 0 FGADHO CC(C)Oc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000849275548 731240564 /nfs/dbraw/zinc/24/05/64/731240564.db2.gz SDZSINRYPWMHNY-INIZCTEOSA-N 1 3 366.575 3.032 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241458 731686723 /nfs/dbraw/zinc/68/67/23/731686723.db2.gz VMURLYDJISTQDW-FGTMMUONSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241458 731686724 /nfs/dbraw/zinc/68/67/24/731686724.db2.gz VMURLYDJISTQDW-FGTMMUONSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241458 731686726 /nfs/dbraw/zinc/68/67/26/731686726.db2.gz VMURLYDJISTQDW-FGTMMUONSA-N 1 3 351.535 3.144 20 0 FGADHO COc1ccc(OCc2nc(CN[C@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873220002 735739089 /nfs/dbraw/zinc/73/90/89/735739089.db2.gz FKNWIWURTVFFOM-CQSZACIVSA-N 1 3 361.511 3.208 20 0 FGADHO Cc1ccc(OC(F)F)c([C@@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873288713 735746722 /nfs/dbraw/zinc/74/67/22/735746722.db2.gz AUEXBAMWBWLUSI-CABCVRRESA-N 1 3 354.441 3.406 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292574 735747149 /nfs/dbraw/zinc/74/71/49/735747149.db2.gz ULHGNWGZKJMOCH-UKRRQHHQSA-N 1 3 362.905 3.036 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCc2ccccc2Br)C1 ZINC000883435586 737566479 /nfs/dbraw/zinc/56/64/79/737566479.db2.gz WRRBBYRSPMFGCF-NJAFHUGGSA-N 1 3 367.331 3.352 20 0 FGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107361 743805504 /nfs/dbraw/zinc/80/55/04/743805504.db2.gz SBLAZBSTRIJEFS-HNNXBMFYSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@H](NC1CC[NH+](C2CCCC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107361 743805511 /nfs/dbraw/zinc/80/55/11/743805511.db2.gz SBLAZBSTRIJEFS-HNNXBMFYSA-N 1 3 351.535 3.429 20 0 FGADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000904392330 743951659 /nfs/dbraw/zinc/95/16/59/743951659.db2.gz PRACKJOVHNMGQN-GFCCVEGCSA-N 1 3 360.832 3.271 20 0 FGADHO CC[C@@](O)(CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074332 743991494 /nfs/dbraw/zinc/99/14/94/743991494.db2.gz GQXYJUYOFFHFGO-UKRRQHHQSA-N 1 3 350.450 3.253 20 0 FGADHO CC[C@@](O)(CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074332 743991495 /nfs/dbraw/zinc/99/14/95/743991495.db2.gz GQXYJUYOFFHFGO-UKRRQHHQSA-N 1 3 350.450 3.253 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388222 758910175 /nfs/dbraw/zinc/91/01/75/758910175.db2.gz NOGKSPHJYYJBDP-SOAMZJECSA-N 1 3 363.571 3.370 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388222 758910180 /nfs/dbraw/zinc/91/01/80/758910180.db2.gz NOGKSPHJYYJBDP-SOAMZJECSA-N 1 3 363.571 3.370 20 0 FGADHO CC1([NH+]2CCCC2)CCC(NCc2cnc(C3OCCO3)s2)CC1 ZINC000922506439 758939980 /nfs/dbraw/zinc/93/99/80/758939980.db2.gz ZXTYVNWYYAWFFB-UHFFFAOYSA-N 1 3 351.516 3.075 20 0 FGADHO [NH3+]C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373716 759106814 /nfs/dbraw/zinc/10/68/14/759106814.db2.gz PBSREWXKAKRJRK-CJNGLKHVSA-N 1 3 361.313 3.230 20 0 FGADHO C[C@H](c1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449339 759119377 /nfs/dbraw/zinc/11/93/77/759119377.db2.gz MKZRGLOWMAXPAX-KGLIPLIRSA-N 1 3 353.304 3.340 20 0 FGADHO C[C@@H](c1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449338 759119711 /nfs/dbraw/zinc/11/97/11/759119711.db2.gz MKZRGLOWMAXPAX-KBPBESRZSA-N 1 3 353.304 3.340 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000923449971 759120961 /nfs/dbraw/zinc/12/09/61/759120961.db2.gz RNJJHIOPIASUFK-AWEZNQCLSA-N 1 3 360.832 3.271 20 0 FGADHO C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924886633 759411249 /nfs/dbraw/zinc/41/12/49/759411249.db2.gz XCRZSWLLDWOSLS-INIZCTEOSA-N 1 3 360.523 3.144 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476291 759494200 /nfs/dbraw/zinc/49/42/00/759494200.db2.gz HIWITYGNVXSWAA-KGKJWKRHSA-N 1 3 364.331 3.146 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881104 759836699 /nfs/dbraw/zinc/83/66/99/759836699.db2.gz SPHUJNBLWXGACN-GNVJSZRZSA-N 1 3 363.933 3.182 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881104 759836709 /nfs/dbraw/zinc/83/67/09/759836709.db2.gz SPHUJNBLWXGACN-GNVJSZRZSA-N 1 3 363.933 3.182 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC000969707566 762861852 /nfs/dbraw/zinc/86/18/52/762861852.db2.gz BLVKQFCZTKFDES-MDASCCDHSA-N 1 3 363.571 3.032 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000969707566 762861857 /nfs/dbraw/zinc/86/18/57/762861857.db2.gz BLVKQFCZTKFDES-MDASCCDHSA-N 1 3 363.571 3.032 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028552028 766124279 /nfs/dbraw/zinc/12/42/79/766124279.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028552028 766124284 /nfs/dbraw/zinc/12/42/84/766124284.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 1 3 363.933 3.008 20 0 FGADHO C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293555313 257380270 /nfs/dbraw/zinc/38/02/70/257380270.db2.gz FLQSRXSSCODFFR-UIFIKXQLSA-N 1 3 351.494 3.103 20 0 FGADHO CN1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839862 505592592 /nfs/dbraw/zinc/59/25/92/505592592.db2.gz PEQUILKREUUNQL-HKUYNNGSSA-N 1 3 372.538 3.089 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712888 505601836 /nfs/dbraw/zinc/60/18/36/505601836.db2.gz FYAOKDUXZWVHCN-HNNXBMFYSA-N 1 3 353.457 3.251 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712888 505601837 /nfs/dbraw/zinc/60/18/37/505601837.db2.gz FYAOKDUXZWVHCN-HNNXBMFYSA-N 1 3 353.457 3.251 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746175 505609784 /nfs/dbraw/zinc/60/97/84/505609784.db2.gz PSJKFYPVVHFULD-VQTJNVASSA-N 1 3 360.567 3.258 20 0 FGADHO [NH3+]C1CCC(N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000573815794 505627817 /nfs/dbraw/zinc/62/78/17/505627817.db2.gz ITJDSTCRIUUJMC-JCYILVPMSA-N 1 3 369.431 3.228 20 0 FGADHO CC1CCN([C@@H](CNC(=O)c2ccccc2CC[NH3+])c2ccccc2)CC1 ZINC000568153318 505629060 /nfs/dbraw/zinc/62/90/60/505629060.db2.gz AHOVFAXXSQXUFO-QFIPXVFZSA-N 1 3 365.521 3.391 20 0 FGADHO NC1(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000571203989 505678978 /nfs/dbraw/zinc/67/89/78/505678978.db2.gz DIYNNMVTCUATQG-UHFFFAOYSA-N 1 3 363.505 3.447 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000568364797 505676436 /nfs/dbraw/zinc/67/64/36/505676436.db2.gz WQKCZAMRJZRBEP-UHFFFAOYSA-N 1 3 354.498 3.401 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000568364797 505676439 /nfs/dbraw/zinc/67/64/39/505676439.db2.gz WQKCZAMRJZRBEP-UHFFFAOYSA-N 1 3 354.498 3.401 20 0 FGADHO c1ncn(Cc2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000075756560 493775505 /nfs/dbraw/zinc/77/55/05/493775505.db2.gz OFQFMLZIJYKXAI-UHFFFAOYSA-N 1 3 361.493 3.081 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000580190939 505700029 /nfs/dbraw/zinc/70/00/29/505700029.db2.gz BILGDBLFFCYJNU-SFTDATJTSA-N 1 3 366.509 3.078 20 0 FGADHO CC(C)(CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000053964773 494179694 /nfs/dbraw/zinc/17/96/94/494179694.db2.gz VPONAGLQWXQWEP-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000054510333 494242349 /nfs/dbraw/zinc/24/23/49/494242349.db2.gz DNMFMDXAQGJNJU-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000054510333 494242351 /nfs/dbraw/zinc/24/23/51/494242351.db2.gz DNMFMDXAQGJNJU-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO COc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000072799678 494252173 /nfs/dbraw/zinc/25/21/73/494252173.db2.gz GFQJHLGORVIEQI-OAQYLSRUSA-N 1 3 373.541 3.069 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000042929577 494252459 /nfs/dbraw/zinc/25/24/59/494252459.db2.gz FDIQVKXFAFQRPM-MOPGFXCFSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000042929577 494252462 /nfs/dbraw/zinc/25/24/62/494252462.db2.gz FDIQVKXFAFQRPM-MOPGFXCFSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000089214712 494274232 /nfs/dbraw/zinc/27/42/32/494274232.db2.gz HLYWMWVLJGVMJE-PUAOIOHZSA-N 1 3 357.523 3.386 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066158832 494280363 /nfs/dbraw/zinc/28/03/63/494280363.db2.gz GJRPKQMMFCOJTJ-SFHVURJKSA-N 1 3 374.529 3.109 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512103 505712844 /nfs/dbraw/zinc/71/28/44/505712844.db2.gz FXPGKAWOLMONGM-KVPRVUCYSA-N 1 3 368.308 3.158 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523139 494478642 /nfs/dbraw/zinc/47/86/42/494478642.db2.gz PYJVVCBKOYFVOK-DBVUQKKJSA-N 1 3 374.525 3.266 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000074104302 494482039 /nfs/dbraw/zinc/48/20/39/494482039.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000074104302 494482044 /nfs/dbraw/zinc/48/20/44/494482044.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 1 3 372.557 3.023 20 0 FGADHO CCc1nc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000067213794 494495401 /nfs/dbraw/zinc/49/54/01/494495401.db2.gz IDPMEXNXOMZGCU-UHFFFAOYSA-N 1 3 372.582 3.393 20 0 FGADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000090937185 494504787 /nfs/dbraw/zinc/50/47/87/494504787.db2.gz UFCCPUJZUJIOAC-SFHVURJKSA-N 1 3 371.481 3.034 20 0 FGADHO COc1ccc2c(c1)OC[C@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000090964946 494506930 /nfs/dbraw/zinc/50/69/30/494506930.db2.gz LNWDUROBYOKIOZ-OAQYLSRUSA-N 1 3 366.505 3.295 20 0 FGADHO CSC1(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CCN(C)CC1 ZINC000577431398 505725420 /nfs/dbraw/zinc/72/54/20/505725420.db2.gz WUHZLYXOLSNSGK-UHFFFAOYSA-N 1 3 350.557 3.066 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074323721 494519903 /nfs/dbraw/zinc/51/99/03/494519903.db2.gz CVWXJHSWYAGEFV-KRWDZBQOSA-N 1 3 369.509 3.298 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074323721 494519907 /nfs/dbraw/zinc/51/99/07/494519907.db2.gz CVWXJHSWYAGEFV-KRWDZBQOSA-N 1 3 369.509 3.298 20 0 FGADHO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523342 494520002 /nfs/dbraw/zinc/52/00/02/494520002.db2.gz UADFQCNNUDLLSE-IBGZPJMESA-N 1 3 359.558 3.476 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000067418129 494536812 /nfs/dbraw/zinc/53/68/12/494536812.db2.gz BYIVBDQDOOTTEP-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000079985159 494562353 /nfs/dbraw/zinc/56/23/53/494562353.db2.gz OLUSFYSPNUSQCI-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000079985159 494562349 /nfs/dbraw/zinc/56/23/49/494562349.db2.gz OLUSFYSPNUSQCI-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700677 /nfs/dbraw/zinc/70/06/77/494700677.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700684 /nfs/dbraw/zinc/70/06/84/494700684.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 1 3 364.578 3.016 20 0 FGADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000108420670 494703522 /nfs/dbraw/zinc/70/35/22/494703522.db2.gz RDKSOVUKPBNLDL-SFHVURJKSA-N 1 3 357.523 3.044 20 0 FGADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000108420670 494703528 /nfs/dbraw/zinc/70/35/28/494703528.db2.gz RDKSOVUKPBNLDL-SFHVURJKSA-N 1 3 357.523 3.044 20 0 FGADHO c1cnn(Cc2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617128 505737765 /nfs/dbraw/zinc/73/77/65/505737765.db2.gz JOJHQRSLMFISNX-FYYLOGMGSA-N 1 3 374.488 3.277 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108549653 494735266 /nfs/dbraw/zinc/73/52/66/494735266.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 1 3 372.557 3.060 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000108549653 494735282 /nfs/dbraw/zinc/73/52/82/494735282.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 1 3 372.557 3.060 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108549560 494735453 /nfs/dbraw/zinc/73/54/53/494735453.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108549560 494735464 /nfs/dbraw/zinc/73/54/64/494735464.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126544533 494785114 /nfs/dbraw/zinc/78/51/14/494785114.db2.gz XRTPTCDYDRALAU-QFIPXVFZSA-N 1 3 371.569 3.396 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047886756 494787657 /nfs/dbraw/zinc/78/76/57/494787657.db2.gz CKIKBZCSIKFXSC-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047886756 494787659 /nfs/dbraw/zinc/78/76/59/494787659.db2.gz CKIKBZCSIKFXSC-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1F ZINC000126672959 494817358 /nfs/dbraw/zinc/81/73/58/494817358.db2.gz WQCJYCHOOGZIEF-QGZVFWFLSA-N 1 3 371.500 3.433 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000126675273 494817400 /nfs/dbraw/zinc/81/74/00/494817400.db2.gz WDPYZTWKEDFJEB-QHCPKHFHSA-N 1 3 365.521 3.220 20 0 FGADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1OCc1ccncc1 ZINC000093088732 494824825 /nfs/dbraw/zinc/82/48/25/494824825.db2.gz UBWIYKKJYZQGDB-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1OCc1ccncc1 ZINC000093088732 494824828 /nfs/dbraw/zinc/82/48/28/494824828.db2.gz UBWIYKKJYZQGDB-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000121641632 494828146 /nfs/dbraw/zinc/82/81/46/494828146.db2.gz UKAUEDRXJPLGLO-WWMYMODYSA-N 1 3 361.530 3.433 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917387 494889766 /nfs/dbraw/zinc/88/97/66/494889766.db2.gz VKAAKHFKXCJRPY-LPHOPBHVSA-N 1 3 365.949 3.478 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392831 505748207 /nfs/dbraw/zinc/74/82/07/505748207.db2.gz YYBBTMBGCWWUIT-MLCQCVOFSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392831 505748209 /nfs/dbraw/zinc/74/82/09/505748209.db2.gz YYBBTMBGCWWUIT-MLCQCVOFSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392831 505748212 /nfs/dbraw/zinc/74/82/12/505748212.db2.gz YYBBTMBGCWWUIT-MLCQCVOFSA-N 1 3 372.553 3.462 20 0 FGADHO CCO[C@@H]1C[C@H](O)C12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613965 494905575 /nfs/dbraw/zinc/90/55/75/494905575.db2.gz PLUMCOVXMLDYQU-LEWJYISDSA-N 1 3 374.569 3.397 20 0 FGADHO CCO[C@@H]1C[C@H](O)C12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613965 494905576 /nfs/dbraw/zinc/90/55/76/494905576.db2.gz PLUMCOVXMLDYQU-LEWJYISDSA-N 1 3 374.569 3.397 20 0 FGADHO c1cn(-c2ccc(CN3CCC(CCC[NH+]4CCCC4)CC3)cn2)cn1 ZINC000122082330 494920234 /nfs/dbraw/zinc/92/02/34/494920234.db2.gz ASDALVMKILZMJI-UHFFFAOYSA-N 1 3 353.514 3.355 20 0 FGADHO CN(C)[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876112 494936911 /nfs/dbraw/zinc/93/69/11/494936911.db2.gz VTODGBCSBFIJQR-DEOSSOPVSA-N 1 3 365.565 3.456 20 0 FGADHO CN(C)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876112 494936913 /nfs/dbraw/zinc/93/69/13/494936913.db2.gz VTODGBCSBFIJQR-DEOSSOPVSA-N 1 3 365.565 3.456 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954596 /nfs/dbraw/zinc/95/45/96/494954596.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 1 3 373.585 3.234 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000133041717 494959627 /nfs/dbraw/zinc/95/96/27/494959627.db2.gz YTYJCPJBCZYHGF-QZTJIDSGSA-N 1 3 354.498 3.024 20 0 FGADHO Cc1ccccc1C1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000128155541 495052977 /nfs/dbraw/zinc/05/29/77/495052977.db2.gz RIJVXMNGLRAWHW-UHFFFAOYSA-N 1 3 365.521 3.322 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090252 /nfs/dbraw/zinc/09/02/52/495090252.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 1 3 363.571 3.338 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090256 /nfs/dbraw/zinc/09/02/56/495090256.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 1 3 363.571 3.338 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC000111816297 495115625 /nfs/dbraw/zinc/11/56/25/495115625.db2.gz FXALRZQCUUAMPK-SFHVURJKSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123333033 495115802 /nfs/dbraw/zinc/11/58/02/495115802.db2.gz WYYDIKUNHXXAPF-QGZVFWFLSA-N 1 3 363.521 3.226 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000129063355 495190543 /nfs/dbraw/zinc/19/05/43/495190543.db2.gz JJVCRLMYDHBLJJ-SOLBZPMBSA-N 1 3 358.530 3.040 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919300 495257526 /nfs/dbraw/zinc/25/75/26/495257526.db2.gz NPLAFJRSPRNUQE-UHFFFAOYSA-N 1 3 355.526 3.230 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129655671 495276371 /nfs/dbraw/zinc/27/63/71/495276371.db2.gz AMOXHMJYDGNCHK-SJORKVTESA-N 1 3 371.447 3.189 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000119986799 495282894 /nfs/dbraw/zinc/28/28/94/495282894.db2.gz NGEQMFMSKAJFLU-UHFFFAOYSA-N 1 3 370.497 3.436 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129875 495340178 /nfs/dbraw/zinc/34/01/78/495340178.db2.gz ZBDGJOLBJQTWGL-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129875 495340181 /nfs/dbraw/zinc/34/01/81/495340181.db2.gz ZBDGJOLBJQTWGL-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1nccn1CCCN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000136295273 495369927 /nfs/dbraw/zinc/36/99/27/495369927.db2.gz RZPJKMITYSBHHB-KRWDZBQOSA-N 1 3 368.525 3.270 20 0 FGADHO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000130465429 495396047 /nfs/dbraw/zinc/39/60/47/495396047.db2.gz BEJZOMXUDMTHDY-UWJYYQICSA-N 1 3 371.525 3.412 20 0 FGADHO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000125355759 495431391 /nfs/dbraw/zinc/43/13/91/495431391.db2.gz IRLDLSPOXAMQSL-KKSFZXQISA-N 1 3 358.482 3.020 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834424 495433454 /nfs/dbraw/zinc/43/34/54/495433454.db2.gz LPFSORAUIUUCEY-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808536 495462573 /nfs/dbraw/zinc/46/25/73/495462573.db2.gz UNAKZGNMPHTEQC-HNNXBMFYSA-N 1 3 352.404 3.323 20 0 FGADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917309 495518319 /nfs/dbraw/zinc/51/83/19/495518319.db2.gz ODLDNMMEBKGQFL-PBHICJAKSA-N 1 3 355.548 3.075 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546731 /nfs/dbraw/zinc/54/67/31/495546731.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 1 3 374.573 3.411 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546739 /nfs/dbraw/zinc/54/67/39/495546739.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 1 3 374.573 3.411 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569889 /nfs/dbraw/zinc/56/98/89/495569889.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569891 /nfs/dbraw/zinc/56/98/91/495569891.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510332 495604848 /nfs/dbraw/zinc/60/48/48/495604848.db2.gz WOGPOYHCHKLVOF-DAWZGUTISA-N 1 3 361.496 3.457 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510332 495604858 /nfs/dbraw/zinc/60/48/58/495604858.db2.gz WOGPOYHCHKLVOF-DAWZGUTISA-N 1 3 361.496 3.457 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474770 495606733 /nfs/dbraw/zinc/60/67/33/495606733.db2.gz ORJBFWMSXFFIND-HBMCJLEFSA-N 1 3 370.541 3.092 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000173782719 495691874 /nfs/dbraw/zinc/69/18/74/495691874.db2.gz OPOMJUHBLQAZGK-XLIONFOSSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000150976055 495698970 /nfs/dbraw/zinc/69/89/70/495698970.db2.gz UYOVTQMNSGQLDB-HZPDHXFCSA-N 1 3 360.571 3.404 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)ccc1OC ZINC000182776356 495699295 /nfs/dbraw/zinc/69/92/95/495699295.db2.gz KLQCQOSZMOGIHO-BEFAXECRSA-N 1 3 371.529 3.103 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)CNCC2 ZINC000577829966 505800160 /nfs/dbraw/zinc/80/01/60/505800160.db2.gz YTQIMIUOHHWXFA-UHFFFAOYSA-N 1 3 364.493 3.250 20 0 FGADHO Fc1ccc(SCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173948378 495759766 /nfs/dbraw/zinc/75/97/66/495759766.db2.gz RYNLXSLMRZEJJX-UHFFFAOYSA-N 1 3 352.519 3.495 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000173992901 495780339 /nfs/dbraw/zinc/78/03/39/495780339.db2.gz SKUXDAXXBQITDH-ROUUACIJSA-N 1 3 357.542 3.123 20 0 FGADHO COC(=O)c1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000577850833 505804984 /nfs/dbraw/zinc/80/49/84/505804984.db2.gz OLHOQSDMVOFHCG-CALCHBBNSA-N 1 3 371.506 3.028 20 0 FGADHO c1nc(-c2ccccc2)[nH]c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179987950 495812540 /nfs/dbraw/zinc/81/25/40/495812540.db2.gz LEBHVMLXBROTCS-UHFFFAOYSA-N 1 3 354.498 3.154 20 0 FGADHO O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000580653566 505806879 /nfs/dbraw/zinc/80/68/79/505806879.db2.gz LFYXABNJNSSGDQ-UHFFFAOYSA-N 1 3 367.468 3.322 20 0 FGADHO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000186117436 495861899 /nfs/dbraw/zinc/86/18/99/495861899.db2.gz SQHKPTNMAUSWBE-MRXNPFEDSA-N 1 3 359.539 3.355 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000171658504 495976387 /nfs/dbraw/zinc/97/63/87/495976387.db2.gz UZFUJUADHSCLSV-UHFFFAOYSA-N 1 3 365.521 3.243 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H](C)C2(C)CC2)CC1 ZINC000177248698 495993144 /nfs/dbraw/zinc/99/31/44/495993144.db2.gz YGPUCJJJIJOREC-GOSISDBHSA-N 1 3 357.542 3.196 20 0 FGADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000177365938 496033109 /nfs/dbraw/zinc/03/31/09/496033109.db2.gz GWHIQTUQXIQDSA-UHFFFAOYSA-N 1 3 359.514 3.030 20 0 FGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccccc1 ZINC000177479026 496078398 /nfs/dbraw/zinc/07/83/98/496078398.db2.gz FYCFYUXGNZDWCI-MSOLQXFVSA-N 1 3 372.557 3.036 20 0 FGADHO Cc1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490745 496083009 /nfs/dbraw/zinc/08/30/09/496083009.db2.gz OYWUUPYWJOUEDG-GASCZTMLSA-N 1 3 351.560 3.471 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233123 496088031 /nfs/dbraw/zinc/08/80/31/496088031.db2.gz BMAPOZQDJVOWCG-UYAOXDASSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233123 496088037 /nfs/dbraw/zinc/08/80/37/496088037.db2.gz BMAPOZQDJVOWCG-UYAOXDASSA-N 1 3 356.514 3.099 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902706 496102121 /nfs/dbraw/zinc/10/21/21/496102121.db2.gz QYMJRZRDNQFZDR-YLJYHZDGSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCCCN1 ZINC000577946790 505825315 /nfs/dbraw/zinc/82/53/15/505825315.db2.gz RJEKQFCLAVPOPH-UWJYYQICSA-N 1 3 368.525 3.426 20 0 FGADHO C[C@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000577946790 505825318 /nfs/dbraw/zinc/82/53/18/505825318.db2.gz RJEKQFCLAVPOPH-UWJYYQICSA-N 1 3 368.525 3.426 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)CCCO2 ZINC000178034090 496296804 /nfs/dbraw/zinc/29/68/04/496296804.db2.gz ARXQLAJSRRDHOK-ABSDTBQOSA-N 1 3 362.514 3.388 20 0 FGADHO C[C@H](CC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000571878037 505836200 /nfs/dbraw/zinc/83/62/00/505836200.db2.gz QOIDTOMJOQJZCR-HXUWFJFHSA-N 1 3 371.569 3.179 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070818 496315330 /nfs/dbraw/zinc/31/53/30/496315330.db2.gz VSXYNODMGHWCIA-DZGCQCFKSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070818 496315336 /nfs/dbraw/zinc/31/53/36/496315336.db2.gz VSXYNODMGHWCIA-DZGCQCFKSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccncc3OCCN(C)C)CC2)C1 ZINC000571886428 505838319 /nfs/dbraw/zinc/83/83/19/505838319.db2.gz UHTZETYFDFNDHR-WIYYLYMNSA-N 1 3 374.573 3.155 20 0 FGADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000172587798 496354589 /nfs/dbraw/zinc/35/45/89/496354589.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000172587798 496354595 /nfs/dbraw/zinc/35/45/95/496354595.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162514576 496365657 /nfs/dbraw/zinc/36/56/57/496365657.db2.gz AHBCBFWEIQQXSR-CPJLOUKISA-N 1 3 360.523 3.215 20 0 FGADHO C[NH+](C)C1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000178200394 496367370 /nfs/dbraw/zinc/36/73/70/496367370.db2.gz LYGQMMZMUCPPDI-UHFFFAOYSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000162870996 496425285 /nfs/dbraw/zinc/42/52/85/496425285.db2.gz MPFHZTOMJPLNGG-ZCNNSNEGSA-N 1 3 370.541 3.471 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175547030 496437081 /nfs/dbraw/zinc/43/70/81/496437081.db2.gz XJUYWJYABCXRMC-UHFFFAOYSA-N 1 3 355.482 3.099 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCCC1 ZINC000178411810 496446843 /nfs/dbraw/zinc/44/68/43/496446843.db2.gz ILDIFSRKDZNCFX-CQSZACIVSA-N 1 3 368.319 3.242 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH+]1CCCC1 ZINC000178411810 496446847 /nfs/dbraw/zinc/44/68/47/496446847.db2.gz ILDIFSRKDZNCFX-CQSZACIVSA-N 1 3 368.319 3.242 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000181644014 496483505 /nfs/dbraw/zinc/48/35/05/496483505.db2.gz FSZPLQTXARXGGT-MJGOQNOKSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000181644014 496483508 /nfs/dbraw/zinc/48/35/08/496483508.db2.gz FSZPLQTXARXGGT-MJGOQNOKSA-N 1 3 362.537 3.103 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CC(C)(C)c3ccccc32)c1 ZINC000178531637 496489662 /nfs/dbraw/zinc/48/96/62/496489662.db2.gz FSODEQBQSYNANE-OAQYLSRUSA-N 1 3 365.521 3.490 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000153599620 496513425 /nfs/dbraw/zinc/51/34/25/496513425.db2.gz ASHBPTFCKHWIIW-QFIPXVFZSA-N 1 3 372.557 3.215 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000157767250 496549356 /nfs/dbraw/zinc/54/93/56/496549356.db2.gz BMJIGFRRCCJTBR-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO Clc1ccc(C[C@@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095198 505851814 /nfs/dbraw/zinc/85/18/14/505851814.db2.gz JUBTXEWTILUWHE-FUHWJXTLSA-N 1 3 373.932 3.426 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000578073519 505855811 /nfs/dbraw/zinc/85/58/11/505855811.db2.gz OGVMQPTTYCGFRQ-NRFANRHFSA-N 1 3 367.537 3.334 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000578073519 505855814 /nfs/dbraw/zinc/85/58/14/505855814.db2.gz OGVMQPTTYCGFRQ-NRFANRHFSA-N 1 3 367.537 3.334 20 0 FGADHO Fc1ccc(-c2nc(CN3CCN(CC4CC[NH2+]CC4)CC3)cs2)cc1 ZINC000178983008 496635312 /nfs/dbraw/zinc/63/53/12/496635312.db2.gz MLCRQVQVQXCYAG-UHFFFAOYSA-N 1 3 374.529 3.066 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000158160002 496639977 /nfs/dbraw/zinc/63/99/77/496639977.db2.gz DOJPUTPRDRBYGW-IEBWSBKVSA-N 1 3 355.526 3.030 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000182155896 496691240 /nfs/dbraw/zinc/69/12/40/496691240.db2.gz ZKWADCMPYIHWMF-NQERJWCQSA-N 1 3 359.514 3.064 20 0 FGADHO C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546812 496702860 /nfs/dbraw/zinc/70/28/60/496702860.db2.gz BQUKQVOTBIUDBL-LQWHRVPQSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000185220483 496707814 /nfs/dbraw/zinc/70/78/14/496707814.db2.gz IUSPGAIXYIYQAI-LEWJYISDSA-N 1 3 360.542 3.325 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1ccnc1 ZINC000268774339 496781643 /nfs/dbraw/zinc/78/16/43/496781643.db2.gz RCZPPBLMGVIICR-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1-n1ccnc1 ZINC000268774339 496781647 /nfs/dbraw/zinc/78/16/47/496781647.db2.gz RCZPPBLMGVIICR-WIYYLYMNSA-N 1 3 361.493 3.268 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268781209 496782088 /nfs/dbraw/zinc/78/20/88/496782088.db2.gz XZAWAJOXDSBBBB-BULFRSBZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268781209 496782094 /nfs/dbraw/zinc/78/20/94/496782094.db2.gz XZAWAJOXDSBBBB-BULFRSBZSA-N 1 3 354.494 3.229 20 0 FGADHO CC[N@@H+]1CC[C@H](NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124762 496787343 /nfs/dbraw/zinc/78/73/43/496787343.db2.gz RJQNYJPLMFMFNV-VWNVYAMZSA-N 1 3 359.558 3.116 20 0 FGADHO CC[N@H+]1CC[C@H](NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124762 496787347 /nfs/dbraw/zinc/78/73/47/496787347.db2.gz RJQNYJPLMFMFNV-VWNVYAMZSA-N 1 3 359.558 3.116 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124762 496787355 /nfs/dbraw/zinc/78/73/55/496787355.db2.gz RJQNYJPLMFMFNV-VWNVYAMZSA-N 1 3 359.558 3.116 20 0 FGADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268869759 496809382 /nfs/dbraw/zinc/80/93/82/496809382.db2.gz UWXVQOAVMASDLV-AWEZNQCLSA-N 1 3 360.420 3.125 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]C3CCN(C4CCC4)CC3)CC2)cc1 ZINC000269036577 496855285 /nfs/dbraw/zinc/85/52/85/496855285.db2.gz SRCSYZGOWMVLAJ-UHFFFAOYSA-N 1 3 359.533 3.439 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3Cl)CC2)CC1 ZINC000195341357 496895698 /nfs/dbraw/zinc/89/56/98/496895698.db2.gz UHGLWOWJKRZSTI-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000191868510 496915009 /nfs/dbraw/zinc/91/50/09/496915009.db2.gz QKWRHQHCMYPOIS-HXUWFJFHSA-N 1 3 357.542 3.244 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000247926062 496929251 /nfs/dbraw/zinc/92/92/51/496929251.db2.gz BPKYNMPBLQHKHR-PNBKFKSVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000247926062 496929252 /nfs/dbraw/zinc/92/92/52/496929252.db2.gz BPKYNMPBLQHKHR-PNBKFKSVSA-N 1 3 366.347 3.346 20 0 FGADHO CN1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980886 496937563 /nfs/dbraw/zinc/93/75/63/496937563.db2.gz HLVRCDYJWVQJQF-FCHUYYIVSA-N 1 3 363.505 3.458 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000195551832 496950087 /nfs/dbraw/zinc/95/00/87/496950087.db2.gz CCDJEUQRKKAFNH-GHTZIAJQSA-N 1 3 374.573 3.273 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000248067725 496951263 /nfs/dbraw/zinc/95/12/63/496951263.db2.gz ZTRFOSMFCXLYAN-IAGOWNOFSA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176816 496969689 /nfs/dbraw/zinc/96/96/89/496969689.db2.gz VSXYNODMGHWCIA-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176816 496969685 /nfs/dbraw/zinc/96/96/85/496969685.db2.gz VSXYNODMGHWCIA-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397333 496994375 /nfs/dbraw/zinc/99/43/75/496994375.db2.gz HYDIJNPXJDXMFD-MLCQCVOFSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450442 497014908 /nfs/dbraw/zinc/01/49/08/497014908.db2.gz PAFQSMGGCYFXGK-OXQOHEQNSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450442 497014911 /nfs/dbraw/zinc/01/49/11/497014911.db2.gz PAFQSMGGCYFXGK-OXQOHEQNSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000227374084 497089693 /nfs/dbraw/zinc/08/96/93/497089693.db2.gz SYNVGQQPYSYJIE-UYAOXDASSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000227374084 497089696 /nfs/dbraw/zinc/08/96/96/497089696.db2.gz SYNVGQQPYSYJIE-UYAOXDASSA-N 1 3 370.541 3.092 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248737580 497094322 /nfs/dbraw/zinc/09/43/22/497094322.db2.gz XOSCWQMDAUDXDH-FPOVZHCZSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828674 497112782 /nfs/dbraw/zinc/11/27/82/497112782.db2.gz KYCGOZJJIXMIQK-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828674 497112784 /nfs/dbraw/zinc/11/27/84/497112784.db2.gz KYCGOZJJIXMIQK-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1 ZINC000248828674 497112787 /nfs/dbraw/zinc/11/27/87/497112787.db2.gz KYCGOZJJIXMIQK-OSAVLUCMSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1 ZINC000248828663 497113061 /nfs/dbraw/zinc/11/30/61/497113061.db2.gz KYCGOZJJIXMIQK-BRSBDYLESA-N 1 3 360.542 3.154 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902026 497131861 /nfs/dbraw/zinc/13/18/61/497131861.db2.gz UOAZEHUSGBNUNI-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CSCCN2)c1 ZINC000236727143 497138436 /nfs/dbraw/zinc/13/84/36/497138436.db2.gz YTPAVZJTZIBVFH-IBGZPJMESA-N 1 3 363.571 3.020 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CSCCN2)c1 ZINC000236727143 497138439 /nfs/dbraw/zinc/13/84/39/497138439.db2.gz YTPAVZJTZIBVFH-IBGZPJMESA-N 1 3 363.571 3.020 20 0 FGADHO CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236745052 497140455 /nfs/dbraw/zinc/14/04/55/497140455.db2.gz RFLPHAZBGKUGLE-NHCUHLMSSA-N 1 3 369.553 3.279 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516057 497143415 /nfs/dbraw/zinc/14/34/15/497143415.db2.gz MDXAFKJQFSLABW-RTWAWAEBSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000249024569 497150915 /nfs/dbraw/zinc/15/09/15/497150915.db2.gz RFRHOUCZLYPLLU-SESVDKBCSA-N 1 3 374.573 3.125 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000249024569 497150919 /nfs/dbraw/zinc/15/09/19/497150919.db2.gz RFRHOUCZLYPLLU-SESVDKBCSA-N 1 3 374.573 3.125 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000236825215 497151897 /nfs/dbraw/zinc/15/18/97/497151897.db2.gz GNXHXUCNGVTTCG-RTWAWAEBSA-N 1 3 353.510 3.146 20 0 FGADHO COc1ccc([C@H](CCO)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627536 497165018 /nfs/dbraw/zinc/16/50/18/497165018.db2.gz LNDQFBYLAQYJQW-VGSWGCGISA-N 1 3 372.509 3.410 20 0 FGADHO COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000270634189 497167418 /nfs/dbraw/zinc/16/74/18/497167418.db2.gz MYSUEQUOTKNSIJ-JTSKRJEESA-N 1 3 372.509 3.410 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(-c2ccncc2)ccc1OC ZINC000274849001 497181172 /nfs/dbraw/zinc/18/11/72/497181172.db2.gz XQHJZQYDJZZSQO-FQEVSTJZSA-N 1 3 357.498 3.204 20 0 FGADHO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274889953 497192053 /nfs/dbraw/zinc/19/20/53/497192053.db2.gz JFQCWHRHYAOOIH-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393345 497197393 /nfs/dbraw/zinc/19/73/93/497197393.db2.gz SCLRCRBVANOLMM-RCCFBDPRSA-N 1 3 356.432 3.464 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccsc1 ZINC000189674206 497206183 /nfs/dbraw/zinc/20/61/83/497206183.db2.gz ADDIJZJONRFVLT-KRWDZBQOSA-N 1 3 366.575 3.257 20 0 FGADHO COc1ccc([C@@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCCN2C)cc1 ZINC000237229804 497206670 /nfs/dbraw/zinc/20/66/70/497206670.db2.gz OEQJIHKOMZSZLC-WIYYLYMNSA-N 1 3 361.530 3.104 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274961383 497207069 /nfs/dbraw/zinc/20/70/69/497207069.db2.gz WSGGYQVNTZRKAU-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961383 497207072 /nfs/dbraw/zinc/20/70/72/497207072.db2.gz WSGGYQVNTZRKAU-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1cccc(-n2cncn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961383 497207078 /nfs/dbraw/zinc/20/70/78/497207078.db2.gz WSGGYQVNTZRKAU-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO COc1ccc(C[C@H](C)C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192781021 497213083 /nfs/dbraw/zinc/21/30/83/497213083.db2.gz JPNOEFOWHYHIMQ-FQEVSTJZSA-N 1 3 361.574 3.222 20 0 FGADHO COc1ccc(C[C@H](C)C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192781021 497213086 /nfs/dbraw/zinc/21/30/86/497213086.db2.gz JPNOEFOWHYHIMQ-FQEVSTJZSA-N 1 3 361.574 3.222 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192842061 497227080 /nfs/dbraw/zinc/22/70/80/497227080.db2.gz SWWWKRPNUDHESD-NRFANRHFSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237578486 497258661 /nfs/dbraw/zinc/25/86/61/497258661.db2.gz RXZGIRIITWWKLC-MOPGFXCFSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933474 497297801 /nfs/dbraw/zinc/29/78/01/497297801.db2.gz MRXJVAJNMIQLLX-STQMWFEESA-N 1 3 358.395 3.443 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933474 497297804 /nfs/dbraw/zinc/29/78/04/497297804.db2.gz MRXJVAJNMIQLLX-STQMWFEESA-N 1 3 358.395 3.443 20 0 FGADHO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000189933474 497297806 /nfs/dbraw/zinc/29/78/06/497297806.db2.gz MRXJVAJNMIQLLX-STQMWFEESA-N 1 3 358.395 3.443 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000237890171 497308480 /nfs/dbraw/zinc/30/84/80/497308480.db2.gz ZCFTVGGKZBTVRO-RTBURBONSA-N 1 3 363.571 3.374 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444274 497350949 /nfs/dbraw/zinc/35/09/49/497350949.db2.gz CSYMODACVFMGMF-SLFFLAALSA-N 1 3 356.510 3.400 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573462 497415812 /nfs/dbraw/zinc/41/58/12/497415812.db2.gz APSJUSOSTPLNCI-YYWHXJBOSA-N 1 3 351.494 3.055 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000193618810 497428914 /nfs/dbraw/zinc/42/89/14/497428914.db2.gz QRGXPYOBPJSLNJ-NRFANRHFSA-N 1 3 372.557 3.025 20 0 FGADHO [NH3+]C1CCC(NCc2ccc(I)cc2Cl)CC1 ZINC000261774119 497448436 /nfs/dbraw/zinc/44/84/36/497448436.db2.gz DZAQPJSPWHMODI-UHFFFAOYSA-N 1 3 364.658 3.304 20 0 FGADHO C[N@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000271872139 497476313 /nfs/dbraw/zinc/47/63/13/497476313.db2.gz YDCNYRHJPFNDRT-UHFFFAOYSA-N 1 3 359.477 3.286 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000271872139 497476320 /nfs/dbraw/zinc/47/63/20/497476320.db2.gz YDCNYRHJPFNDRT-UHFFFAOYSA-N 1 3 359.477 3.286 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670576 497494724 /nfs/dbraw/zinc/49/47/24/497494724.db2.gz HHEFVXZJJJAXOS-YSFYHYPLSA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670576 497494727 /nfs/dbraw/zinc/49/47/27/497494727.db2.gz HHEFVXZJJJAXOS-YSFYHYPLSA-N 1 3 362.521 3.446 20 0 FGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740180 497522705 /nfs/dbraw/zinc/52/27/05/497522705.db2.gz RLFAQAZIBYGAQC-WLRLJWMZSA-N 1 3 355.526 3.173 20 0 FGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245849131 497550178 /nfs/dbraw/zinc/55/01/78/497550178.db2.gz GARLKEJVWVKZJZ-BHDDXSALSA-N 1 3 371.569 3.382 20 0 FGADHO COc1ccccc1O[C@H](C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125340 505916131 /nfs/dbraw/zinc/91/61/31/505916131.db2.gz OURWQDSWHRJYPV-TVTNDZMWSA-N 1 3 368.477 3.308 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262661007 497594171 /nfs/dbraw/zinc/59/41/71/497594171.db2.gz GGUIHWISNRCZDY-DWIQEWEKSA-N 1 3 355.526 3.249 20 0 FGADHO CC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000262660007 497594279 /nfs/dbraw/zinc/59/42/79/497594279.db2.gz FUMHYGNTUSQDNC-MTNREXPMSA-N 1 3 365.521 3.276 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131328 505916609 /nfs/dbraw/zinc/91/66/09/505916609.db2.gz PAWUFWXDNPMCEU-GOSISDBHSA-N 1 3 355.457 3.386 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131328 505916613 /nfs/dbraw/zinc/91/66/13/505916613.db2.gz PAWUFWXDNPMCEU-GOSISDBHSA-N 1 3 355.457 3.386 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@@H]21 ZINC000572229118 505919633 /nfs/dbraw/zinc/91/96/33/505919633.db2.gz CRBQSPWGPZENHZ-SNPRPXQTSA-N 1 3 367.287 3.140 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000246170300 497646233 /nfs/dbraw/zinc/64/62/33/497646233.db2.gz LFTWXNQNACBLTM-TZIWHRDSSA-N 1 3 374.573 3.225 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000246170300 497646239 /nfs/dbraw/zinc/64/62/39/497646239.db2.gz LFTWXNQNACBLTM-TZIWHRDSSA-N 1 3 374.573 3.225 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659484 /nfs/dbraw/zinc/65/94/84/497659484.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659490 /nfs/dbraw/zinc/65/94/90/497659490.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659494 /nfs/dbraw/zinc/65/94/94/497659494.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659500 /nfs/dbraw/zinc/65/95/00/497659500.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 1 3 356.432 3.025 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246335960 497700178 /nfs/dbraw/zinc/70/01/78/497700178.db2.gz OPOMJUHBLQAZGK-FXAWDEMLSA-N 1 3 360.546 3.153 20 0 FGADHO CC1(C)CN(C2(CNC(=O)C[C@@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325193 497757669 /nfs/dbraw/zinc/75/76/69/497757669.db2.gz KDNJBFIREUPTQW-LJQANCHMSA-N 1 3 373.541 3.006 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246577833 497780273 /nfs/dbraw/zinc/78/02/73/497780273.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246577833 497780278 /nfs/dbraw/zinc/78/02/78/497780278.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608063 497788012 /nfs/dbraw/zinc/78/80/12/497788012.db2.gz WPOXYYYJGFOUBE-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608063 497788016 /nfs/dbraw/zinc/78/80/16/497788016.db2.gz WPOXYYYJGFOUBE-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626184 497790905 /nfs/dbraw/zinc/79/09/05/497790905.db2.gz UVTRNGCKCLXNOJ-OXQOHEQNSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626184 497790907 /nfs/dbraw/zinc/79/09/07/497790907.db2.gz UVTRNGCKCLXNOJ-OXQOHEQNSA-N 1 3 369.484 3.374 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836906 497815132 /nfs/dbraw/zinc/81/51/32/497815132.db2.gz BZZWEQSMSGWWDU-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836906 497815133 /nfs/dbraw/zinc/81/51/33/497815133.db2.gz BZZWEQSMSGWWDU-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836906 497815135 /nfs/dbraw/zinc/81/51/35/497815135.db2.gz BZZWEQSMSGWWDU-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870360 497817866 /nfs/dbraw/zinc/81/78/66/497817866.db2.gz COHHZIMLAMQDDO-PGRDOPGGSA-N 1 3 359.558 3.227 20 0 FGADHO C[C@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281351 497952965 /nfs/dbraw/zinc/95/29/65/497952965.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 1 3 371.569 3.084 20 0 FGADHO C[C@H]1CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281351 497952970 /nfs/dbraw/zinc/95/29/70/497952970.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 1 3 371.569 3.084 20 0 FGADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500166 505955643 /nfs/dbraw/zinc/95/56/43/505955643.db2.gz OWLUARAZEXLYLO-XZOQPEGZSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500166 505955647 /nfs/dbraw/zinc/95/56/47/505955647.db2.gz OWLUARAZEXLYLO-XZOQPEGZSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500166 505955651 /nfs/dbraw/zinc/95/56/51/505955651.db2.gz OWLUARAZEXLYLO-XZOQPEGZSA-N 1 3 352.522 3.482 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296298661 497990249 /nfs/dbraw/zinc/99/02/49/497990249.db2.gz FZLXNJYUPMXFAC-HXUWFJFHSA-N 1 3 357.542 3.280 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558645 505964027 /nfs/dbraw/zinc/96/40/27/505964027.db2.gz BSJCDBMOGJEWPS-XLIONFOSSA-N 1 3 372.557 3.289 20 0 FGADHO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340092 505965345 /nfs/dbraw/zinc/96/53/45/505965345.db2.gz DOUBVKZKGPCQPH-BHIFYINESA-N 1 3 352.526 3.243 20 0 FGADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000296463571 498053744 /nfs/dbraw/zinc/05/37/44/498053744.db2.gz OWPGEKVXTNRGLE-MRXNPFEDSA-N 1 3 351.494 3.172 20 0 FGADHO Cc1cc(N[C@H](C)CN2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372593 498078852 /nfs/dbraw/zinc/07/88/52/498078852.db2.gz UOFJVRQSALYXMS-CQSZACIVSA-N 1 3 364.440 3.192 20 0 FGADHO [NH3+]C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000572467126 505975554 /nfs/dbraw/zinc/97/55/54/505975554.db2.gz HXRQTAYIAYPLPE-NRFANRHFSA-N 1 3 366.509 3.109 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CC(c4ccccc4)C3)CC2)CC1 ZINC000281473441 498162666 /nfs/dbraw/zinc/16/26/66/498162666.db2.gz FIWQNFKZTWNZRJ-UHFFFAOYSA-N 1 3 369.553 3.245 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652729 505990233 /nfs/dbraw/zinc/99/02/33/505990233.db2.gz VSVGIAKLTFASCA-RBSFLKMASA-N 1 3 369.431 3.354 20 0 FGADHO CN1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853524 498174504 /nfs/dbraw/zinc/17/45/04/498174504.db2.gz ZVIXKSWSHXQPNP-BHYGNILZSA-N 1 3 351.922 3.213 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927847 498213609 /nfs/dbraw/zinc/21/36/09/498213609.db2.gz CPJHCUNSNJGAHV-SPHOGXRMSA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927847 498213614 /nfs/dbraw/zinc/21/36/14/498213614.db2.gz CPJHCUNSNJGAHV-SPHOGXRMSA-N 1 3 369.553 3.025 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927847 498213618 /nfs/dbraw/zinc/21/36/18/498213618.db2.gz CPJHCUNSNJGAHV-SPHOGXRMSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C[C@@H](C)O1 ZINC000360696808 498298539 /nfs/dbraw/zinc/29/85/39/498298539.db2.gz FKJIFQMYQZATLC-RKVPGOIHSA-N 1 3 363.477 3.078 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297067406 498310472 /nfs/dbraw/zinc/31/04/72/498310472.db2.gz MWSHYOCZEUCQKW-NRFANRHFSA-N 1 3 370.541 3.140 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000297195764 498353301 /nfs/dbraw/zinc/35/33/01/498353301.db2.gz MHUJNQAPNAJKMA-UHFFFAOYSA-N 1 3 366.509 3.189 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000569813699 506022365 /nfs/dbraw/zinc/02/23/65/506022365.db2.gz KZDSPUFGZAVPOM-IBGZPJMESA-N 1 3 369.534 3.225 20 0 FGADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000289984590 498382241 /nfs/dbraw/zinc/38/22/41/498382241.db2.gz YATSNUPKWJSSTL-BAGYTPMASA-N 1 3 369.553 3.134 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000569834781 506027999 /nfs/dbraw/zinc/02/79/99/506027999.db2.gz PYLDNHKHVUXSDE-SFHVURJKSA-N 1 3 373.541 3.040 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000569834781 506028004 /nfs/dbraw/zinc/02/80/04/506028004.db2.gz PYLDNHKHVUXSDE-SFHVURJKSA-N 1 3 373.541 3.040 20 0 FGADHO c1ccc(CN2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000297291899 498393713 /nfs/dbraw/zinc/39/37/13/498393713.db2.gz AMPINVBUEKLURP-NRFANRHFSA-N 1 3 350.510 3.305 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610500 506027211 /nfs/dbraw/zinc/02/72/11/506027211.db2.gz QSKIFJGJNCGMTH-HXUWFJFHSA-N 1 3 357.542 3.223 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000290253007 498483231 /nfs/dbraw/zinc/48/32/31/498483231.db2.gz KAEQSPLZZRABJC-ZWKOTPCHSA-N 1 3 362.514 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000290253007 498483234 /nfs/dbraw/zinc/48/32/34/498483234.db2.gz KAEQSPLZZRABJC-ZWKOTPCHSA-N 1 3 362.514 3.279 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294683 498499800 /nfs/dbraw/zinc/49/98/00/498499800.db2.gz YETYAZXASSMTRW-UYAOXDASSA-N 1 3 355.530 3.294 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000290319516 498507118 /nfs/dbraw/zinc/50/71/18/498507118.db2.gz OEGRYGCXZONRGT-OTWHNJEPSA-N 1 3 362.489 3.179 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000362486455 498523562 /nfs/dbraw/zinc/52/35/62/498523562.db2.gz NGAOJDWBXCTLCR-GOSISDBHSA-N 1 3 351.922 3.171 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293934912 498537166 /nfs/dbraw/zinc/53/71/66/498537166.db2.gz NUAXEDLURRYQSI-UHFFFAOYSA-N 1 3 353.466 3.101 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303067021 498645847 /nfs/dbraw/zinc/64/58/47/498645847.db2.gz NKBKGAWTJOFAPV-ZCNNSNEGSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303067021 498645856 /nfs/dbraw/zinc/64/58/56/498645856.db2.gz NKBKGAWTJOFAPV-ZCNNSNEGSA-N 1 3 366.594 3.164 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879669 498684735 /nfs/dbraw/zinc/68/47/35/498684735.db2.gz KIPWNAQXKCNVJI-YADHBBJMSA-N 1 3 369.553 3.374 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879669 498684738 /nfs/dbraw/zinc/68/47/38/498684738.db2.gz KIPWNAQXKCNVJI-YADHBBJMSA-N 1 3 369.553 3.374 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(OCCN(C)C)c1 ZINC000287268916 498695624 /nfs/dbraw/zinc/69/56/24/498695624.db2.gz LCCQXKGYKFSRCI-PKOBYXMFSA-N 1 3 374.529 3.026 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000363203791 498701264 /nfs/dbraw/zinc/70/12/64/498701264.db2.gz RALYBQZPTNTMAT-UHFFFAOYSA-N 1 3 357.542 3.230 20 0 FGADHO COc1cccc(CCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000303937475 498729773 /nfs/dbraw/zinc/72/97/73/498729773.db2.gz RXHLBJUQKCJBER-RTBURBONSA-N 1 3 360.542 3.449 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363262102 498734562 /nfs/dbraw/zinc/73/45/62/498734562.db2.gz VVHJOFPAJUNFFJ-INIZCTEOSA-N 1 3 355.482 3.195 20 0 FGADHO C/C(=C\c1ccccc1)CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000579058223 506083821 /nfs/dbraw/zinc/08/38/21/506083821.db2.gz XWIXGYKNNHLCQT-CZIZESTLSA-N 1 3 369.553 3.404 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648616 498761698 /nfs/dbraw/zinc/76/16/98/498761698.db2.gz GQIRVWIHKZVQRL-LPHOPBHVSA-N 1 3 363.502 3.041 20 0 FGADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737009 498764330 /nfs/dbraw/zinc/76/43/30/498764330.db2.gz XEDVMHRWKDIIEY-FCHUYYIVSA-N 1 3 368.521 3.100 20 0 FGADHO CCc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737009 498764337 /nfs/dbraw/zinc/76/43/37/498764337.db2.gz XEDVMHRWKDIIEY-FCHUYYIVSA-N 1 3 368.521 3.100 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366167404 498805960 /nfs/dbraw/zinc/80/59/60/498805960.db2.gz DYQDKTDPHQXIQI-HSZRJFAPSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366167404 498805965 /nfs/dbraw/zinc/80/59/65/498805965.db2.gz DYQDKTDPHQXIQI-HSZRJFAPSA-N 1 3 365.521 3.390 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NC[C@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141742 498811954 /nfs/dbraw/zinc/81/19/54/498811954.db2.gz HRPXIRHVHZUFDA-NHCUHLMSSA-N 1 3 364.505 3.120 20 0 FGADHO O=C(CCC[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc21 ZINC000298574027 498817560 /nfs/dbraw/zinc/81/75/60/498817560.db2.gz XFTXZHZNZKYOEM-UHFFFAOYSA-N 1 3 364.493 3.010 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)nc21 ZINC000366208834 498825175 /nfs/dbraw/zinc/82/51/75/498825175.db2.gz KDAILCGKBBPRQE-FGTMMUONSA-N 1 3 357.498 3.158 20 0 FGADHO Cc1cccc2oc(CCN[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C)nc21 ZINC000366208834 498825179 /nfs/dbraw/zinc/82/51/79/498825179.db2.gz KDAILCGKBBPRQE-FGTMMUONSA-N 1 3 357.498 3.158 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366259253 498845673 /nfs/dbraw/zinc/84/56/73/498845673.db2.gz NGQNIAOAVVXTJH-LZQZEXGQSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259253 498845682 /nfs/dbraw/zinc/84/56/82/498845682.db2.gz NGQNIAOAVVXTJH-LZQZEXGQSA-N 1 3 363.933 3.293 20 0 FGADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OCC(F)F ZINC000295020659 498881418 /nfs/dbraw/zinc/88/14/18/498881418.db2.gz NEHAJVMPSZEJLL-GOOCMWNKSA-N 1 3 370.440 3.063 20 0 FGADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCO1 ZINC000287889628 498894150 /nfs/dbraw/zinc/89/41/50/498894150.db2.gz YYDUVTNHRIZBKG-KURKYZTESA-N 1 3 356.432 3.251 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941311 /nfs/dbraw/zinc/94/13/11/498941311.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 1 3 355.526 3.191 20 0 FGADHO CN1CCC2(CC1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941319 /nfs/dbraw/zinc/94/13/19/498941319.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 1 3 355.526 3.191 20 0 FGADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360348 499004056 /nfs/dbraw/zinc/00/40/56/499004056.db2.gz KPQWDZSCMJMAPV-CTNGQTDRSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN(C2CC2)C1 ZINC000295413195 499009388 /nfs/dbraw/zinc/00/93/88/499009388.db2.gz SNNJCIHGCZIJLV-LJQANCHMSA-N 1 3 369.553 3.231 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000570293459 506135167 /nfs/dbraw/zinc/13/51/67/506135167.db2.gz LILBDDBTISXPDA-ZFWWWQNUSA-N 1 3 369.431 3.170 20 0 FGADHO CN1CC[NH+](C[C@H]2CCCN(Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111300 499150406 /nfs/dbraw/zinc/15/04/06/499150406.db2.gz VUPLYCDEKCGDOC-QGZVFWFLSA-N 1 3 372.944 3.348 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367605898 499217000 /nfs/dbraw/zinc/21/70/00/499217000.db2.gz IIAPBLUIRFPRDB-HKBOAZHASA-N 1 3 355.526 3.275 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367605898 499217001 /nfs/dbraw/zinc/21/70/01/499217001.db2.gz IIAPBLUIRFPRDB-HKBOAZHASA-N 1 3 355.526 3.275 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367605898 499217002 /nfs/dbraw/zinc/21/70/02/499217002.db2.gz IIAPBLUIRFPRDB-HKBOAZHASA-N 1 3 355.526 3.275 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367611327 499217586 /nfs/dbraw/zinc/21/75/86/499217586.db2.gz BQMSNTYGXAQPPV-FHWLQOOXSA-N 1 3 353.466 3.494 20 0 FGADHO C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370695616 499245120 /nfs/dbraw/zinc/24/51/20/499245120.db2.gz BUIDNBHTHKQNMC-AUSIDOKSSA-N 1 3 364.537 3.206 20 0 FGADHO C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705974 499246359 /nfs/dbraw/zinc/24/63/59/499246359.db2.gz KQOWTPFNISFMTI-CVDCTZTESA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705974 499246361 /nfs/dbraw/zinc/24/63/61/499246361.db2.gz KQOWTPFNISFMTI-CVDCTZTESA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1)C1CCN(C)CC1 ZINC000370718966 499247808 /nfs/dbraw/zinc/24/78/08/499247808.db2.gz HNMQEKDOPSXQPU-FQEVSTJZSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1)C1CCN(C)CC1 ZINC000370718966 499247811 /nfs/dbraw/zinc/24/78/11/499247811.db2.gz HNMQEKDOPSXQPU-FQEVSTJZSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@H](N)c1ccccc1 ZINC000370772359 499253321 /nfs/dbraw/zinc/25/33/21/499253321.db2.gz KXQMKGQKAYHQQW-ADNIJMRFSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@H](N)c1ccccc1 ZINC000370772359 499253322 /nfs/dbraw/zinc/25/33/22/499253322.db2.gz KXQMKGQKAYHQQW-ADNIJMRFSA-N 1 3 363.505 3.084 20 0 FGADHO CC(C)[NH+]1CCC(N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000368045607 499259220 /nfs/dbraw/zinc/25/92/20/499259220.db2.gz QIQHQMDFKMVZJC-KRWDZBQOSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421217 499294169 /nfs/dbraw/zinc/29/41/69/499294169.db2.gz BZJFPIDSXLHHHO-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421217 499294170 /nfs/dbraw/zinc/29/41/70/499294170.db2.gz BZJFPIDSXLHHHO-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368421217 499294171 /nfs/dbraw/zinc/29/41/71/499294171.db2.gz BZJFPIDSXLHHHO-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505030 499302789 /nfs/dbraw/zinc/30/27/89/499302789.db2.gz TYIPWITXDJVLLQ-GOTSBHOMSA-N 1 3 371.569 3.228 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581699 499309891 /nfs/dbraw/zinc/30/98/91/499309891.db2.gz CFWXRDJXMOEWPJ-CRAIPNDOSA-N 1 3 372.431 3.359 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000369269225 499385671 /nfs/dbraw/zinc/38/56/71/499385671.db2.gz VTVJWZDJIBRRMQ-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000369269225 499385672 /nfs/dbraw/zinc/38/56/72/499385672.db2.gz VTVJWZDJIBRRMQ-OXQOHEQNSA-N 1 3 372.944 3.346 20 0 FGADHO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@@H](c1ccccc1)C(C)C ZINC000378436199 499516702 /nfs/dbraw/zinc/51/67/02/499516702.db2.gz VRJXFKIAAMJDHT-OAQYLSRUSA-N 1 3 369.557 3.357 20 0 FGADHO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@@H](c1ccccc1)C(C)C ZINC000378436199 499516703 /nfs/dbraw/zinc/51/67/03/499516703.db2.gz VRJXFKIAAMJDHT-OAQYLSRUSA-N 1 3 369.557 3.357 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000576409800 506151325 /nfs/dbraw/zinc/15/13/25/506151325.db2.gz CCMOLKYTJZSIDV-QGZVFWFLSA-N 1 3 371.516 3.124 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614912 499537756 /nfs/dbraw/zinc/53/77/56/499537756.db2.gz FQIYGMWCFFYTPK-LVNJIZSUSA-N 1 3 359.514 3.185 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614912 499537757 /nfs/dbraw/zinc/53/77/57/499537757.db2.gz FQIYGMWCFFYTPK-LVNJIZSUSA-N 1 3 359.514 3.185 20 0 FGADHO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCCN2CCCCC2)CC1 ZINC000375702958 499547459 /nfs/dbraw/zinc/54/74/59/499547459.db2.gz JFNVRQBPZJJRSM-UHFFFAOYSA-N 1 3 351.535 3.338 20 0 FGADHO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCCN2CCCCC2)CC1 ZINC000375702958 499547460 /nfs/dbraw/zinc/54/74/60/499547460.db2.gz JFNVRQBPZJJRSM-UHFFFAOYSA-N 1 3 351.535 3.338 20 0 FGADHO c1cc(CN2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)ccn1 ZINC000376004584 499575423 /nfs/dbraw/zinc/57/54/23/499575423.db2.gz STDIMZNFGNIJJB-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cc(CN2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004584 499575424 /nfs/dbraw/zinc/57/54/24/499575424.db2.gz STDIMZNFGNIJJB-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1cc(CN2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004584 499575425 /nfs/dbraw/zinc/57/54/25/499575425.db2.gz STDIMZNFGNIJJB-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235690 499672641 /nfs/dbraw/zinc/67/26/41/499672641.db2.gz DAVASMGOHOQVDC-ICSRJNTNSA-N 1 3 357.542 3.075 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235690 499672643 /nfs/dbraw/zinc/67/26/43/499672643.db2.gz DAVASMGOHOQVDC-ICSRJNTNSA-N 1 3 357.542 3.075 20 0 FGADHO COc1ccc2ccccc2c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000377240623 499673206 /nfs/dbraw/zinc/67/32/06/499673206.db2.gz DLQCAKPLWOXILZ-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO COC[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000377741914 499727193 /nfs/dbraw/zinc/72/71/93/499727193.db2.gz XDNQMJAOJYITLK-RBBKRZOGSA-N 1 3 360.542 3.320 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411362361 499729648 /nfs/dbraw/zinc/72/96/48/499729648.db2.gz IJVWEIQADYWYPB-OAQYLSRUSA-N 1 3 361.505 3.246 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000377763208 499730238 /nfs/dbraw/zinc/73/02/38/499730238.db2.gz RDAUZXHXSMCJBN-WIYYLYMNSA-N 1 3 370.493 3.495 20 0 FGADHO CN1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899692 499746317 /nfs/dbraw/zinc/74/63/17/499746317.db2.gz FBMMINRZUIZILJ-FUHWJXTLSA-N 1 3 361.917 3.077 20 0 FGADHO CN1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899688 499746375 /nfs/dbraw/zinc/74/63/75/499746375.db2.gz FBMMINRZUIZILJ-AEFFLSMTSA-N 1 3 361.917 3.077 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762988 /nfs/dbraw/zinc/76/29/88/499762988.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762990 /nfs/dbraw/zinc/76/29/90/499762990.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762992 /nfs/dbraw/zinc/76/29/92/499762992.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762993 /nfs/dbraw/zinc/76/29/93/499762993.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 1 3 358.555 3.488 20 0 FGADHO OC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000414294291 499775184 /nfs/dbraw/zinc/77/51/84/499775184.db2.gz BXFTZIFETZXIFB-BHIFYINESA-N 1 3 372.553 3.198 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000414335001 499778533 /nfs/dbraw/zinc/77/85/33/499778533.db2.gz HBCDTJXIQHXTGB-NHCUHLMSSA-N 1 3 355.526 3.052 20 0 FGADHO Cc1cccc(C)c1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414552651 499807724 /nfs/dbraw/zinc/80/77/24/499807724.db2.gz HBIGBSWRLVAAAZ-UHFFFAOYSA-N 1 3 365.521 3.291 20 0 FGADHO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679879 499819781 /nfs/dbraw/zinc/81/97/81/499819781.db2.gz SHCUFWYZGSRQDW-XLIONFOSSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679879 499819783 /nfs/dbraw/zinc/81/97/83/499819783.db2.gz SHCUFWYZGSRQDW-XLIONFOSSA-N 1 3 357.542 3.318 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000414697014 499821263 /nfs/dbraw/zinc/82/12/63/499821263.db2.gz CCJRQPVPCFBCJC-INIZCTEOSA-N 1 3 363.933 3.286 20 0 FGADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000414754429 499826759 /nfs/dbraw/zinc/82/67/59/499826759.db2.gz XXMMPAPBYFBDBN-GOSISDBHSA-N 1 3 365.521 3.217 20 0 FGADHO Cc1nc(COc2ccc(CNCc3ccc([C@@H](C)[NH3+])cc3)cc2)no1 ZINC000414810113 499833570 /nfs/dbraw/zinc/83/35/70/499833570.db2.gz NMLADLSWXYKJMS-CQSZACIVSA-N 1 3 352.438 3.267 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414838658 499836106 /nfs/dbraw/zinc/83/61/06/499836106.db2.gz INDCTZOFWQMNRO-CYBMUJFWSA-N 1 3 353.894 3.317 20 0 FGADHO CC(C)C[C@@H](C[NH3+])NC1CCN(Cc2ccccc2Br)CC1 ZINC000414852486 499837999 /nfs/dbraw/zinc/83/79/99/499837999.db2.gz REIZCSALLKWKCB-KRWDZBQOSA-N 1 3 368.363 3.377 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCCNC1 ZINC000414853532 499838199 /nfs/dbraw/zinc/83/81/99/499838199.db2.gz KXJXGLVECOPKPH-GJZGRUSLSA-N 1 3 353.913 3.421 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906083 499843703 /nfs/dbraw/zinc/84/37/03/499843703.db2.gz LZEWMCSCZDDHTR-DYVFJYSZSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906083 499843704 /nfs/dbraw/zinc/84/37/04/499843704.db2.gz LZEWMCSCZDDHTR-DYVFJYSZSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916706 499844394 /nfs/dbraw/zinc/84/43/94/499844394.db2.gz QDOQADNNXKQNCY-SUMWQHHRSA-N 1 3 373.419 3.282 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414916706 499844395 /nfs/dbraw/zinc/84/43/95/499844395.db2.gz QDOQADNNXKQNCY-SUMWQHHRSA-N 1 3 373.419 3.282 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414997390 499853274 /nfs/dbraw/zinc/85/32/74/499853274.db2.gz HGVZQPROVMIIJR-QAPCUYQASA-N 1 3 373.438 3.135 20 0 FGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNC2CCN(CC(F)(F)F)CC2)cc1 ZINC000414997390 499853275 /nfs/dbraw/zinc/85/32/75/499853275.db2.gz HGVZQPROVMIIJR-QAPCUYQASA-N 1 3 373.438 3.135 20 0 FGADHO FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000415096963 499863077 /nfs/dbraw/zinc/86/30/77/499863077.db2.gz CHCVIESOABPQAI-KRWDZBQOSA-N 1 3 355.448 3.402 20 0 FGADHO CCC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415107230 499864692 /nfs/dbraw/zinc/86/46/92/499864692.db2.gz NNYACGMBEXXCBR-PBHICJAKSA-N 1 3 371.447 3.334 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000415123101 499866529 /nfs/dbraw/zinc/86/65/29/499866529.db2.gz KXOACJSQZCTBSJ-SJLPKXTDSA-N 1 3 354.441 3.049 20 0 FGADHO CN(c1ccccc1CN1C[C@@H]([NH3+])Cc2ccccc21)C1CCN(C)CC1 ZINC000415137858 499869012 /nfs/dbraw/zinc/86/90/12/499869012.db2.gz NZQKWUJWMGZABU-FQEVSTJZSA-N 1 3 364.537 3.107 20 0 FGADHO c1cc(-c2ncc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)s2)cs1 ZINC000415142051 499869477 /nfs/dbraw/zinc/86/94/77/499869477.db2.gz QPFXUPJVRQPICL-CVEARBPZSA-N 1 3 361.536 3.072 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)CC1 ZINC000415879745 499923692 /nfs/dbraw/zinc/92/36/92/499923692.db2.gz CJLMBLATCMONDM-SFHVURJKSA-N 1 3 370.541 3.308 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000415933290 499930286 /nfs/dbraw/zinc/93/02/86/499930286.db2.gz PKLKUXPNACMQEE-WOJBJXKFSA-N 1 3 352.482 3.363 20 0 FGADHO COc1cccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)c1 ZINC000415953965 499933060 /nfs/dbraw/zinc/93/30/60/499933060.db2.gz HWFFMZKCTKXTNU-FQEVSTJZSA-N 1 3 368.481 3.113 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415960415 499933632 /nfs/dbraw/zinc/93/36/32/499933632.db2.gz BBKWBCHEWMEMKG-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415961362 499933923 /nfs/dbraw/zinc/93/39/23/499933923.db2.gz RBXPLNXHJRAMLY-INIZCTEOSA-N 1 3 362.493 3.248 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415961362 499933924 /nfs/dbraw/zinc/93/39/24/499933924.db2.gz RBXPLNXHJRAMLY-INIZCTEOSA-N 1 3 362.493 3.248 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974735 499936014 /nfs/dbraw/zinc/93/60/14/499936014.db2.gz SASZXYVMFRPRGL-IAQYHMDHSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974735 499936015 /nfs/dbraw/zinc/93/60/15/499936015.db2.gz SASZXYVMFRPRGL-IAQYHMDHSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCN1C ZINC000415974735 499936016 /nfs/dbraw/zinc/93/60/16/499936016.db2.gz SASZXYVMFRPRGL-IAQYHMDHSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955850 499968462 /nfs/dbraw/zinc/96/84/62/499968462.db2.gz WINWUYSDJMJBLH-QGZVFWFLSA-N 1 3 374.573 3.099 20 0 FGADHO CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351366 500023019 /nfs/dbraw/zinc/02/30/19/500023019.db2.gz MHQSVBUUBUQEHI-MYGLTJDJSA-N 1 3 369.553 3.135 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000417310808 500036469 /nfs/dbraw/zinc/03/64/69/500036469.db2.gz KXTPGIIZJBLONF-HKBOAZHASA-N 1 3 372.557 3.161 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000417351944 500047222 /nfs/dbraw/zinc/04/72/22/500047222.db2.gz DWFWCMHXIFVPHN-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO CS[C@@H]1CC[C@H]1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350989 500082971 /nfs/dbraw/zinc/08/29/71/500082971.db2.gz LVFKMFRZKMZMIW-WOJBJXKFSA-N 1 3 364.555 3.160 20 0 FGADHO CS[C@@H]1CC[C@H]1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350989 500082973 /nfs/dbraw/zinc/08/29/73/500082973.db2.gz LVFKMFRZKMZMIW-WOJBJXKFSA-N 1 3 364.555 3.160 20 0 FGADHO CO[C@@H](CN1CCCC2(CCC[N@H+](C[C@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440054 500106966 /nfs/dbraw/zinc/10/69/66/500106966.db2.gz COEVCVKPXGPPEQ-AHTKWCMKSA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@@H](CN1CCCC2(CCC[N@@H+](C[C@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440054 500106969 /nfs/dbraw/zinc/10/69/69/500106969.db2.gz COEVCVKPXGPPEQ-AHTKWCMKSA-N 1 3 350.547 3.014 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417589887 500119506 /nfs/dbraw/zinc/11/95/06/500119506.db2.gz QQILKXSERXIXFK-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417698276 500152108 /nfs/dbraw/zinc/15/21/08/500152108.db2.gz XGYTVFSLPJZXSZ-UZLBHIALSA-N 1 3 358.530 3.029 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702893 500152930 /nfs/dbraw/zinc/15/29/30/500152930.db2.gz JEOLDPDOYQXRIN-AZUAARDMSA-N 1 3 358.530 3.126 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702893 500152933 /nfs/dbraw/zinc/15/29/33/500152933.db2.gz JEOLDPDOYQXRIN-AZUAARDMSA-N 1 3 358.530 3.126 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822668 500159792 /nfs/dbraw/zinc/15/97/92/500159792.db2.gz XQMYAXVIHNLZHF-UZLBHIALSA-N 1 3 351.510 3.147 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000416974430 500172292 /nfs/dbraw/zinc/17/22/92/500172292.db2.gz LJFAGKQKLRARIZ-UHFFFAOYSA-N 1 3 372.557 3.310 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837474 500181231 /nfs/dbraw/zinc/18/12/31/500181231.db2.gz MKWAUYMQIVSMSR-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000417942836 500201672 /nfs/dbraw/zinc/20/16/72/500201672.db2.gz UGICKODPSOWKPF-GQOXECLESA-N 1 3 360.546 3.229 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151217 500238461 /nfs/dbraw/zinc/23/84/61/500238461.db2.gz FGKWSCOZKGFSFR-UXHICEINSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N(C)C ZINC000418183990 500244485 /nfs/dbraw/zinc/24/44/85/500244485.db2.gz PFKVPKZJADMWJL-CUWPLCDZSA-N 1 3 372.557 3.017 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418188233 500245495 /nfs/dbraw/zinc/24/54/95/500245495.db2.gz GEPSLVCXNKINID-LAUBAEHRSA-N 1 3 374.573 3.257 20 0 FGADHO C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418188913 500245790 /nfs/dbraw/zinc/24/57/90/500245790.db2.gz UWOUUEFNIZOYGQ-VDGAXYAQSA-N 1 3 372.557 3.097 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N(CC)CC)cc1 ZINC000418221355 500251406 /nfs/dbraw/zinc/25/14/06/500251406.db2.gz VQTBGANQNOUBTI-HKBOAZHASA-N 1 3 372.557 3.025 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430546307 500251770 /nfs/dbraw/zinc/25/17/70/500251770.db2.gz JQCSKJGRBNHYQO-IBGZPJMESA-N 1 3 371.529 3.123 20 0 FGADHO C[NH2+]CCNC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418318921 500261944 /nfs/dbraw/zinc/26/19/44/500261944.db2.gz QBWTYPJDSRNSQX-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418431391 500275989 /nfs/dbraw/zinc/27/59/89/500275989.db2.gz WZGCWQIYWNABDM-MJGOQNOKSA-N 1 3 360.546 3.371 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000418457114 500279177 /nfs/dbraw/zinc/27/91/77/500279177.db2.gz GNAASDQQRADVKV-GOSISDBHSA-N 1 3 366.509 3.124 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500101 500284860 /nfs/dbraw/zinc/28/48/60/500284860.db2.gz NNNKVMAHCZFBME-NRFANRHFSA-N 1 3 368.525 3.357 20 0 FGADHO FC(F)(F)c1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422699641 500287305 /nfs/dbraw/zinc/28/73/05/500287305.db2.gz AVOKGQHCCVIJSS-KZNAEPCWSA-N 1 3 356.432 3.385 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734166 500291624 /nfs/dbraw/zinc/29/16/24/500291624.db2.gz SCWPBIMMGCMFOA-SOABOVLPSA-N 1 3 353.432 3.152 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762254 500295160 /nfs/dbraw/zinc/29/51/60/500295160.db2.gz MKIQSFOGPDRELL-WMQCIHAUSA-N 1 3 357.542 3.007 20 0 FGADHO C[C@H]([NH2+]C1(CN[C@@H](C2CC2)[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762254 500295162 /nfs/dbraw/zinc/29/51/62/500295162.db2.gz MKIQSFOGPDRELL-WMQCIHAUSA-N 1 3 357.542 3.007 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N2CCCC2)c1 ZINC000422763052 500295224 /nfs/dbraw/zinc/29/52/24/500295224.db2.gz OKOAMFISYNKOAO-YSZBQJHXSA-N 1 3 367.537 3.380 20 0 FGADHO COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000422763052 500295227 /nfs/dbraw/zinc/29/52/27/500295227.db2.gz OKOAMFISYNKOAO-YSZBQJHXSA-N 1 3 367.537 3.380 20 0 FGADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422788824 500297597 /nfs/dbraw/zinc/29/75/97/500297597.db2.gz NMQUQHSIDYZOJW-KUHUBIRLSA-N 1 3 364.486 3.036 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422802938 500300272 /nfs/dbraw/zinc/30/02/72/500300272.db2.gz IAHAQGVIRUYOTN-ZIAGYGMSSA-N 1 3 370.440 3.260 20 0 FGADHO C(N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853916 500306280 /nfs/dbraw/zinc/30/62/80/500306280.db2.gz ZLJAAJVEMZXKAV-QRVBRYPASA-N 1 3 351.604 3.248 20 0 FGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866107 500307658 /nfs/dbraw/zinc/30/76/58/500307658.db2.gz PUQGUCNCEHROKY-XBYSBRQOSA-N 1 3 370.585 3.098 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877251 500308895 /nfs/dbraw/zinc/30/88/95/500308895.db2.gz HNMJRQJPASIWGG-SJLPKXTDSA-N 1 3 362.514 3.447 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877252 500308966 /nfs/dbraw/zinc/30/89/66/500308966.db2.gz HNMJRQJPASIWGG-WMZOPIPTSA-N 1 3 362.514 3.447 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000422878799 500309785 /nfs/dbraw/zinc/30/97/85/500309785.db2.gz UJCRRTGRVDEWDA-AWEZNQCLSA-N 1 3 370.440 3.007 20 0 FGADHO CC[C@@H]([NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418706105 500310088 /nfs/dbraw/zinc/31/00/88/500310088.db2.gz FCKCFTVVBBIQNA-UXHICEINSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422901123 500314087 /nfs/dbraw/zinc/31/40/87/500314087.db2.gz BQRFPIKUVIHDBO-JZWVFAODSA-N 1 3 365.521 3.352 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418733431 500314494 /nfs/dbraw/zinc/31/44/94/500314494.db2.gz KXVFFKUYYSFCKG-CWJKEVGVSA-N 1 3 372.557 3.198 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916281 500315906 /nfs/dbraw/zinc/31/59/06/500315906.db2.gz DFJRVIYQJGYABN-FGZHOGPDSA-N 1 3 350.510 3.381 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917598 500316298 /nfs/dbraw/zinc/31/62/98/500316298.db2.gz GNDBLIOLZXVXIG-GWCFXTLKSA-N 1 3 351.800 3.240 20 0 FGADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422923782 500317993 /nfs/dbraw/zinc/31/79/93/500317993.db2.gz XBJXFEAAFMRPQH-HMXCVIKNSA-N 1 3 356.441 3.359 20 0 FGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422935145 500319188 /nfs/dbraw/zinc/31/91/88/500319188.db2.gz DAFPPAFJENLFOJ-ZIAGYGMSSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000422935145 500319189 /nfs/dbraw/zinc/31/91/89/500319189.db2.gz DAFPPAFJENLFOJ-ZIAGYGMSSA-N 1 3 355.320 3.213 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OCCOc2ccccc2)nc1 ZINC000422971503 500325566 /nfs/dbraw/zinc/32/55/66/500325566.db2.gz IUWUFCYQHNGGDE-AZUAARDMSA-N 1 3 355.482 3.147 20 0 FGADHO FC(F)(F)c1cccnc1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423001161 500329794 /nfs/dbraw/zinc/32/97/94/500329794.db2.gz WTSXSUDASPSNHD-FVQBIDKESA-N 1 3 357.420 3.380 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423049362 500335777 /nfs/dbraw/zinc/33/57/77/500335777.db2.gz JSUUROQOHAPTGC-PBHICJAKSA-N 1 3 367.415 3.113 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423083422 500339734 /nfs/dbraw/zinc/33/97/34/500339734.db2.gz GAGIVXUMKTUGFK-VKDMSYRKSA-N 1 3 369.475 3.340 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079597 500340099 /nfs/dbraw/zinc/34/00/99/500340099.db2.gz QYWFRQIFRPHXOD-XAMWDVODSA-N 1 3 352.469 3.016 20 0 FGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119484 500344740 /nfs/dbraw/zinc/34/47/40/500344740.db2.gz CNWZLEPBYXPGJJ-SWLSCSKDSA-N 1 3 350.304 3.451 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427038767 500347046 /nfs/dbraw/zinc/34/70/46/500347046.db2.gz QOQLQLHLTQUWPV-SFHVURJKSA-N 1 3 372.557 3.235 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423160677 500350242 /nfs/dbraw/zinc/35/02/42/500350242.db2.gz MOVLCBMVFYOPAZ-BMGDILEWSA-N 1 3 369.347 3.158 20 0 FGADHO Brc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199039 500354035 /nfs/dbraw/zinc/35/40/35/500354035.db2.gz AHYWLTDHMSIGOC-LJQANCHMSA-N 1 3 374.326 3.033 20 0 FGADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423209789 500355188 /nfs/dbraw/zinc/35/51/88/500355188.db2.gz VQQSTHNBWOPXHL-LLVKDONJSA-N 1 3 369.353 3.280 20 0 FGADHO Clc1cc(Br)ccc1[C@@H](NCCN1CC[NH2+]CC1)C1CC1 ZINC000423209773 500355649 /nfs/dbraw/zinc/35/56/49/500355649.db2.gz VOOBZXORYPKPRX-INIZCTEOSA-N 1 3 372.738 3.048 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC(C)(C)N ZINC000423282642 500361309 /nfs/dbraw/zinc/36/13/09/500361309.db2.gz DBNSAULDMSWXRQ-SECBINFHSA-N 1 3 351.800 3.403 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294764 500362497 /nfs/dbraw/zinc/36/24/97/500362497.db2.gz VFYZZUYKVIWJBB-LSDHHAIUSA-N 1 3 361.511 3.319 20 0 FGADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302347 500362618 /nfs/dbraw/zinc/36/26/18/500362618.db2.gz HEGJZTCRCVIGDS-NXEZZACHSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423302347 500362619 /nfs/dbraw/zinc/36/26/19/500362619.db2.gz HEGJZTCRCVIGDS-NXEZZACHSA-N 1 3 351.800 3.260 20 0 FGADHO CC[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)N1CCc2ccccc2C1 ZINC000423336797 500365590 /nfs/dbraw/zinc/36/55/90/500365590.db2.gz VDIORTDBBYNOAF-IIBYNOLFSA-N 1 3 351.494 3.273 20 0 FGADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423346666 500366096 /nfs/dbraw/zinc/36/60/96/500366096.db2.gz PIQVYKSRYUBGLA-KRWDZBQOSA-N 1 3 362.477 3.484 20 0 FGADHO FC(F)(F)[C@@H](CN[C@@H](c1cccs1)C1CCCC1)N1CC[NH2+]CC1 ZINC000423372806 500368433 /nfs/dbraw/zinc/36/84/33/500368433.db2.gz BJOZUPSUWIXDKU-HZPDHXFCSA-N 1 3 361.477 3.405 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc1F ZINC000423381834 500368567 /nfs/dbraw/zinc/36/85/67/500368567.db2.gz ZTCLHHMTUYKGPN-HXHBTQRASA-N 1 3 371.475 3.493 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423384325 500369026 /nfs/dbraw/zinc/36/90/26/500369026.db2.gz KVRYWHSJHSPYPY-HNNXBMFYSA-N 1 3 371.912 3.470 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423384325 500369028 /nfs/dbraw/zinc/36/90/28/500369028.db2.gz KVRYWHSJHSPYPY-HNNXBMFYSA-N 1 3 371.912 3.470 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)CC3CCCCC3)cc21 ZINC000423415854 500373095 /nfs/dbraw/zinc/37/30/95/500373095.db2.gz BJOUCJNZBRLCKN-IBGZPJMESA-N 1 3 356.514 3.439 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423446992 500375307 /nfs/dbraw/zinc/37/53/07/500375307.db2.gz CYFIGELGRSUHAS-LDJQZATESA-N 1 3 367.493 3.244 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269740 500375721 /nfs/dbraw/zinc/37/57/21/500375721.db2.gz NCODNCLRPKYQSD-RHSMWYFYSA-N 1 3 371.447 3.204 20 0 FGADHO CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427288520 500378015 /nfs/dbraw/zinc/37/80/15/500378015.db2.gz PVKSPORJSFDMQV-SBHAEUEKSA-N 1 3 357.542 3.450 20 0 FGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511470 500380205 /nfs/dbraw/zinc/38/02/05/500380205.db2.gz TUOSZSMKJOHPAQ-HNAYVOBHSA-N 1 3 361.511 3.189 20 0 FGADHO CCc1ccccc1[C@H](N)CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423513939 500381169 /nfs/dbraw/zinc/38/11/69/500381169.db2.gz VVVWNKZQKXTJBD-YPAWHYETSA-N 1 3 353.510 3.340 20 0 FGADHO [NH3+]C1(CN[C@H]2CCCc3ccc(O)cc32)CCN(Cc2ccccc2)CC1 ZINC000423548184 500384290 /nfs/dbraw/zinc/38/42/90/500384290.db2.gz DTDLYYVSHSSQSK-QFIPXVFZSA-N 1 3 365.521 3.353 20 0 FGADHO COc1ccccc1[C@H](C)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423578259 500386182 /nfs/dbraw/zinc/38/61/82/500386182.db2.gz UIYMMPDXVQBSLF-SFHVURJKSA-N 1 3 353.510 3.339 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431779981 500423721 /nfs/dbraw/zinc/42/37/21/500423721.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431779981 500423724 /nfs/dbraw/zinc/42/37/24/500423724.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 1 3 363.571 3.341 20 0 FGADHO FC(F)(F)c1cccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420309503 500438156 /nfs/dbraw/zinc/43/81/56/500438156.db2.gz UBZZUFAEEIOVDX-MRXNPFEDSA-N 1 3 355.448 3.213 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312901 500438954 /nfs/dbraw/zinc/43/89/54/500438954.db2.gz XOGPORJECWVZQP-SFTDATJTSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312901 500438956 /nfs/dbraw/zinc/43/89/56/500438956.db2.gz XOGPORJECWVZQP-SFTDATJTSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312901 500438960 /nfs/dbraw/zinc/43/89/60/500438960.db2.gz XOGPORJECWVZQP-SFTDATJTSA-N 1 3 354.494 3.071 20 0 FGADHO Ic1ccc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312403 500439076 /nfs/dbraw/zinc/43/90/76/500439076.db2.gz WXWXNHIHEHGRAH-BBRMVZONSA-N 1 3 370.278 3.428 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903431 500441588 /nfs/dbraw/zinc/44/15/88/500441588.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903431 500441589 /nfs/dbraw/zinc/44/15/89/500441589.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 1 3 372.557 3.027 20 0 FGADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333205 500443557 /nfs/dbraw/zinc/44/35/57/500443557.db2.gz SMLMEKPFDHFJTB-QRQLOZEOSA-N 1 3 361.505 3.057 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000573446639 506196387 /nfs/dbraw/zinc/19/63/87/506196387.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000573446639 506196390 /nfs/dbraw/zinc/19/63/90/506196390.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 1 3 369.553 3.420 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000420421875 500458063 /nfs/dbraw/zinc/45/80/63/500458063.db2.gz YWZPXUZYSFAXHG-WEYGHZABSA-N 1 3 354.494 3.495 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000424244320 500474333 /nfs/dbraw/zinc/47/43/33/500474333.db2.gz QYNNTCVNGKELIH-GOSISDBHSA-N 1 3 355.457 3.444 20 0 FGADHO CC[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287625 500481873 /nfs/dbraw/zinc/48/18/73/500481873.db2.gz JERLXMPLQXHAQR-MAUKXSAKSA-N 1 3 363.933 3.371 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302400 500483673 /nfs/dbraw/zinc/48/36/73/500483673.db2.gz ZJXNTOCTCXAUKB-DLBZAZTESA-N 1 3 369.509 3.416 20 0 FGADHO CCN(C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305498 500483680 /nfs/dbraw/zinc/48/36/80/500483680.db2.gz SLRJLQNFANSHIT-HOCLYGCPSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](C[C@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305498 500483681 /nfs/dbraw/zinc/48/36/81/500483681.db2.gz SLRJLQNFANSHIT-HOCLYGCPSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](C[C@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305498 500483683 /nfs/dbraw/zinc/48/36/83/500483683.db2.gz SLRJLQNFANSHIT-HOCLYGCPSA-N 1 3 361.427 3.074 20 0 FGADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428231481 500484579 /nfs/dbraw/zinc/48/45/79/500484579.db2.gz WFYSKYQVDHSCOI-PCCBWWKXSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231481 500484583 /nfs/dbraw/zinc/48/45/83/500484583.db2.gz WFYSKYQVDHSCOI-PCCBWWKXSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231481 500484585 /nfs/dbraw/zinc/48/45/85/500484585.db2.gz WFYSKYQVDHSCOI-PCCBWWKXSA-N 1 3 357.542 3.183 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316050 500486015 /nfs/dbraw/zinc/48/60/15/500486015.db2.gz CVTIZESOBATEDG-FNAHDJPLSA-N 1 3 369.553 3.135 20 0 FGADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000424379885 500493937 /nfs/dbraw/zinc/49/39/37/500493937.db2.gz PKRZVMHMNSYMSU-PCCBWWKXSA-N 1 3 357.542 3.026 20 0 FGADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424379887 500494423 /nfs/dbraw/zinc/49/44/23/500494423.db2.gz PKRZVMHMNSYMSU-PWRODBHTSA-N 1 3 357.542 3.026 20 0 FGADHO C[C@@H]1C[C@@H](NCCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612822 506199015 /nfs/dbraw/zinc/19/90/15/506199015.db2.gz OZWMWIIFVDYIDS-MJGOQNOKSA-N 1 3 368.477 3.437 20 0 FGADHO C[C@@H]1C[C@@H](NCCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612822 506199018 /nfs/dbraw/zinc/19/90/18/506199018.db2.gz OZWMWIIFVDYIDS-MJGOQNOKSA-N 1 3 368.477 3.437 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792142 500502423 /nfs/dbraw/zinc/50/24/23/500502423.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792142 500502425 /nfs/dbraw/zinc/50/24/25/500502425.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 1 3 372.557 3.154 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000424430911 500503840 /nfs/dbraw/zinc/50/38/40/500503840.db2.gz DVPAFHYBGNTXHB-DYESRHJHSA-N 1 3 366.509 3.486 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800756 500504399 /nfs/dbraw/zinc/50/43/99/500504399.db2.gz JRYAQFGDCQWWMM-VWEINGBSSA-N 1 3 372.557 3.069 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000421003235 500552113 /nfs/dbraw/zinc/55/21/13/500552113.db2.gz GUVIPNMCPUPCCN-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000421003235 500552114 /nfs/dbraw/zinc/55/21/14/500552114.db2.gz GUVIPNMCPUPCCN-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000421003235 500552115 /nfs/dbraw/zinc/55/21/15/500552115.db2.gz GUVIPNMCPUPCCN-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000437076628 500599346 /nfs/dbraw/zinc/59/93/46/500599346.db2.gz VPYIKTINHZBOTH-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000437076628 500599349 /nfs/dbraw/zinc/59/93/49/500599349.db2.gz VPYIKTINHZBOTH-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437076628 500599351 /nfs/dbraw/zinc/59/93/51/500599351.db2.gz VPYIKTINHZBOTH-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCCOCC[NH+](C)C ZINC000447597712 500632097 /nfs/dbraw/zinc/63/20/97/500632097.db2.gz GKJFYCGSCYXQIU-MLGOLLRUSA-N 1 3 373.360 3.400 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880880 500638666 /nfs/dbraw/zinc/63/86/66/500638666.db2.gz ZMGCOPZJDBESOC-CQSZACIVSA-N 1 3 359.436 3.262 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653768 /nfs/dbraw/zinc/65/37/68/500653768.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653770 /nfs/dbraw/zinc/65/37/70/500653770.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 1 3 357.542 3.150 20 0 FGADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443054791 500669692 /nfs/dbraw/zinc/66/96/92/500669692.db2.gz AEOWYGDTVSUUBV-OALUTQOASA-N 1 3 365.521 3.342 20 0 FGADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058652 500670892 /nfs/dbraw/zinc/67/08/92/500670892.db2.gz KWOQZIGIDVLUKD-NQIIRXRSSA-N 1 3 373.541 3.200 20 0 FGADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433320737 500671737 /nfs/dbraw/zinc/67/17/37/500671737.db2.gz VOCDKFQZPWWXIN-OAQYLSRUSA-N 1 3 371.500 3.409 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000443242238 500700723 /nfs/dbraw/zinc/70/07/23/500700723.db2.gz UUFCWWBYYKRYDA-QUCCMNQESA-N 1 3 374.573 3.407 20 0 FGADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000438209622 500754714 /nfs/dbraw/zinc/75/47/14/500754714.db2.gz DAGHXSJHSNYSAG-SJORKVTESA-N 1 3 370.463 3.304 20 0 FGADHO O=C(NC[C@@H]1CCCCN1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939161 500768265 /nfs/dbraw/zinc/76/82/65/500768265.db2.gz GNBUVXUWJYWOHM-FQEVSTJZSA-N 1 3 362.562 3.100 20 0 FGADHO CN(CCCN(C)Cc1cnc(-c2cccs2)s1)CC[NH+](C)C ZINC000570729348 506215552 /nfs/dbraw/zinc/21/55/52/506215552.db2.gz IBZNJMWDTLRTPU-UHFFFAOYSA-N 1 3 352.573 3.187 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000434057808 500788853 /nfs/dbraw/zinc/78/88/53/500788853.db2.gz GACGVDDYYICKDJ-FQEVSTJZSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000434348019 500829510 /nfs/dbraw/zinc/82/95/10/500829510.db2.gz CXVJSNWVLCKYJQ-PXNSSMCTSA-N 1 3 372.557 3.432 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445437 500844041 /nfs/dbraw/zinc/84/40/41/500844041.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445437 500844044 /nfs/dbraw/zinc/84/40/44/500844044.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000444624403 500868860 /nfs/dbraw/zinc/86/88/60/500868860.db2.gz WSIMEKYXYIORHW-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439311836 500883894 /nfs/dbraw/zinc/88/38/94/500883894.db2.gz ZJPSJWMPKPAWKR-IRXDYDNUSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CCN1C ZINC000607689582 506226276 /nfs/dbraw/zinc/22/62/76/506226276.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000449070664 500917160 /nfs/dbraw/zinc/91/71/60/500917160.db2.gz DODTWSAWJJURJU-KRWDZBQOSA-N 1 3 366.509 3.362 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000439778975 500936945 /nfs/dbraw/zinc/93/69/45/500936945.db2.gz GEEZMNTUPIHSOU-QFIPXVFZSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CCN1C ZINC000607689582 506226280 /nfs/dbraw/zinc/22/62/80/506226280.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 1 3 373.541 3.152 20 0 FGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388654 500966011 /nfs/dbraw/zinc/96/60/11/500966011.db2.gz IHNUVQOLCZVWPS-DZFGPLHGSA-N 1 3 359.477 3.103 20 0 FGADHO Cn1nnc2cc(CN(Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425570 500972729 /nfs/dbraw/zinc/97/27/29/500972729.db2.gz DHWSKUQAPJXMEY-LJQANCHMSA-N 1 3 367.522 3.174 20 0 FGADHO Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325055 500977556 /nfs/dbraw/zinc/97/75/56/500977556.db2.gz JNUFUOVIZQPWMJ-GOSISDBHSA-N 1 3 356.489 3.390 20 0 FGADHO Cn1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325055 500977558 /nfs/dbraw/zinc/97/75/58/500977558.db2.gz JNUFUOVIZQPWMJ-GOSISDBHSA-N 1 3 356.489 3.390 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000582459175 506233289 /nfs/dbraw/zinc/23/32/89/506233289.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000582459175 506233298 /nfs/dbraw/zinc/23/32/98/506233298.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)Oc1ccc2nccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000450342064 501095321 /nfs/dbraw/zinc/09/53/21/501095321.db2.gz PPIRQDVBYBJFRO-KRWDZBQOSA-N 1 3 369.509 3.357 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282578 501101591 /nfs/dbraw/zinc/10/15/91/501101591.db2.gz HKYJQGNAFBRNOE-ICSRJNTNSA-N 1 3 357.542 3.267 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282578 501101593 /nfs/dbraw/zinc/10/15/93/501101593.db2.gz HKYJQGNAFBRNOE-ICSRJNTNSA-N 1 3 357.542 3.267 20 0 FGADHO CN(C)[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)Cc1ccccc1 ZINC000446570652 501134751 /nfs/dbraw/zinc/13/47/51/501134751.db2.gz COVJATKMCDAKAK-HXUWFJFHSA-N 1 3 368.525 3.085 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](COC)C3CCCC3)cc2)CC1 ZINC000446746072 501159983 /nfs/dbraw/zinc/15/99/83/501159983.db2.gz VYHUMNXVPYEBRU-JOCHJYFZSA-N 1 3 359.558 3.119 20 0 FGADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000451323648 501264687 /nfs/dbraw/zinc/26/46/87/501264687.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000451323648 501264692 /nfs/dbraw/zinc/26/46/92/501264692.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 1 3 369.553 3.422 20 0 FGADHO C[C@@H](CCCc1cccnc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000453125940 501273906 /nfs/dbraw/zinc/27/39/06/501273906.db2.gz XPKYZKFHKJBQCK-FQEVSTJZSA-N 1 3 358.574 3.333 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccncn1 ZINC000453161153 501282113 /nfs/dbraw/zinc/28/21/13/501282113.db2.gz ISASRDKXRZTTDF-FHWLQOOXSA-N 1 3 368.525 3.337 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195347 501288698 /nfs/dbraw/zinc/28/86/98/501288698.db2.gz JNTMFTKKPMCOQG-QFUCXCTJSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195347 501288701 /nfs/dbraw/zinc/28/87/01/501288701.db2.gz JNTMFTKKPMCOQG-QFUCXCTJSA-N 1 3 366.505 3.499 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCCC[C@H]1C ZINC000457705955 501291655 /nfs/dbraw/zinc/29/16/55/501291655.db2.gz LNQGSCNFKDQEON-SJORKVTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000457705955 501291651 /nfs/dbraw/zinc/29/16/51/501291651.db2.gz LNQGSCNFKDQEON-SJORKVTESA-N 1 3 366.575 3.084 20 0 FGADHO CN1CCO[C@H]([C@@H](NCCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420156 501328014 /nfs/dbraw/zinc/32/80/14/501328014.db2.gz ZJSCITQISRNFCX-PMACEKPBSA-N 1 3 365.949 3.176 20 0 FGADHO CN1CCO[C@H]([C@@H](NCCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420156 501328019 /nfs/dbraw/zinc/32/80/19/501328019.db2.gz ZJSCITQISRNFCX-PMACEKPBSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455607632 501346045 /nfs/dbraw/zinc/34/60/45/501346045.db2.gz JCCJNGUSAIWLJK-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455607632 501346048 /nfs/dbraw/zinc/34/60/48/501346048.db2.gz JCCJNGUSAIWLJK-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)nc1 ZINC000453598891 501357979 /nfs/dbraw/zinc/35/79/79/501357979.db2.gz KBSRQUZTEHHCBW-UHFFFAOYSA-N 1 3 352.526 3.253 20 0 FGADHO CC(C)C[C@]1(C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458138836 501378397 /nfs/dbraw/zinc/37/83/97/501378397.db2.gz WMSFSXQRZXJFHS-NRFANRHFSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416580 501439926 /nfs/dbraw/zinc/43/99/26/501439926.db2.gz QIXQCSUXIJMOEQ-RXVVDRJESA-N 1 3 372.557 3.336 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416580 501439928 /nfs/dbraw/zinc/43/99/28/501439928.db2.gz QIXQCSUXIJMOEQ-RXVVDRJESA-N 1 3 372.557 3.336 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000452161002 501448849 /nfs/dbraw/zinc/44/88/49/501448849.db2.gz FCPUDVQHVWUZBU-MSOLQXFVSA-N 1 3 351.560 3.294 20 0 FGADHO C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN(C2CC2)C1 ZINC000452177161 501453757 /nfs/dbraw/zinc/45/37/57/501453757.db2.gz WSAMOBNUFWSCHP-GOSISDBHSA-N 1 3 355.526 3.229 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505094 501461235 /nfs/dbraw/zinc/46/12/35/501461235.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505094 501461236 /nfs/dbraw/zinc/46/12/36/501461236.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512542 501463166 /nfs/dbraw/zinc/46/31/66/501463166.db2.gz YIHPTPBSZPJJDD-GIVPXCGWSA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512542 501463168 /nfs/dbraw/zinc/46/31/68/501463168.db2.gz YIHPTPBSZPJJDD-GIVPXCGWSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519267 501464698 /nfs/dbraw/zinc/46/46/98/501464698.db2.gz WLBGTSFPDZBWPX-AZUAARDMSA-N 1 3 374.573 3.317 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000454198838 501480976 /nfs/dbraw/zinc/48/09/76/501480976.db2.gz PFXPZAXMNWLAPT-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)CC3(N4CCOCC4)CCCC3)ccc21 ZINC000456264061 501483669 /nfs/dbraw/zinc/48/36/69/501483669.db2.gz HEUVTFIGFQVZNY-FQEVSTJZSA-N 1 3 371.525 3.209 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N(C)C ZINC000458783436 501530479 /nfs/dbraw/zinc/53/04/79/501530479.db2.gz VDQUKLKJGNTXQL-RCZSKKKRSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N(C)C ZINC000458783436 501530483 /nfs/dbraw/zinc/53/04/83/501530483.db2.gz VDQUKLKJGNTXQL-RCZSKKKRSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000458785442 501531070 /nfs/dbraw/zinc/53/10/70/501531070.db2.gz WMROUIWHIMNIFE-HBFSDRIKSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000458785442 501531073 /nfs/dbraw/zinc/53/10/73/501531073.db2.gz WMROUIWHIMNIFE-HBFSDRIKSA-N 1 3 360.546 3.017 20 0 FGADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456680684 501575304 /nfs/dbraw/zinc/57/53/04/501575304.db2.gz FWCOKZTUKCYXGF-GOSISDBHSA-N 1 3 373.516 3.171 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584992 /nfs/dbraw/zinc/58/49/92/501584992.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584996 /nfs/dbraw/zinc/58/49/96/501584996.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000454828293 501638777 /nfs/dbraw/zinc/63/87/77/501638777.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000454828293 501638779 /nfs/dbraw/zinc/63/87/79/501638779.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CN(c2ccccc2CNCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000459378510 501642287 /nfs/dbraw/zinc/64/22/87/501642287.db2.gz OOWHABMLVAHBKZ-GOSISDBHSA-N 1 3 353.510 3.263 20 0 FGADHO CN1CCC(O)(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459433699 501653161 /nfs/dbraw/zinc/65/31/61/501653161.db2.gz NVANXEYTBPHJNA-VMPITWQZSA-N 1 3 366.505 3.325 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457443 501702012 /nfs/dbraw/zinc/70/20/12/501702012.db2.gz NROKTAIHGSYTQO-IRLDBZIGSA-N 1 3 372.557 3.197 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457443 501702013 /nfs/dbraw/zinc/70/20/13/501702013.db2.gz NROKTAIHGSYTQO-IRLDBZIGSA-N 1 3 372.557 3.197 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286511 501733916 /nfs/dbraw/zinc/73/39/16/501733916.db2.gz CDZUECOVKGIJBS-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286511 501733918 /nfs/dbraw/zinc/73/39/18/501733918.db2.gz CDZUECOVKGIJBS-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CO[C@H]1C[N@H+](Cc2ccc(CN3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758238 /nfs/dbraw/zinc/75/82/38/501758238.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1C[N@@H+](Cc2ccc(CN3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758242 /nfs/dbraw/zinc/75/82/42/501758242.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1CN(Cc2ccc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758247 /nfs/dbraw/zinc/75/82/47/501758247.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@H]1CN(Cc2ccc(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758254 /nfs/dbraw/zinc/75/82/54/501758254.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470741378 501789042 /nfs/dbraw/zinc/78/90/42/501789042.db2.gz WLHKZHAWMFKPSW-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CC1CCC(NC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000460347220 501798992 /nfs/dbraw/zinc/79/89/92/501798992.db2.gz BIEYECZMZZMVFR-WOWVQWGWSA-N 1 3 371.569 3.428 20 0 FGADHO CCCCNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472738 501831272 /nfs/dbraw/zinc/83/12/72/501831272.db2.gz XDVXTOFFWKBHFN-IBGZPJMESA-N 1 3 357.542 3.279 20 0 FGADHO CCC(CC)[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCC1 ZINC000611738146 506278220 /nfs/dbraw/zinc/27/82/20/506278220.db2.gz WDTTZRWFIJUQKT-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO c1cn(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895125 /nfs/dbraw/zinc/89/51/25/501895125.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 1 3 358.489 3.436 20 0 FGADHO c1cn(-c2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895128 /nfs/dbraw/zinc/89/51/28/501895128.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 1 3 358.489 3.436 20 0 FGADHO C[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000481845020 501898353 /nfs/dbraw/zinc/89/83/53/501898353.db2.gz LHDYVMSCXQTPHA-GOSISDBHSA-N 1 3 369.553 3.220 20 0 FGADHO C[C@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468007438 501927706 /nfs/dbraw/zinc/92/77/06/501927706.db2.gz XMKFVGLAAPZZTC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468007438 501927710 /nfs/dbraw/zinc/92/77/10/501927710.db2.gz XMKFVGLAAPZZTC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CC(C)C[C@@H](CNC(=O)N1CCCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023131 501932422 /nfs/dbraw/zinc/93/24/22/501932422.db2.gz WCLBESKKHJAIEQ-ICSRJNTNSA-N 1 3 360.546 3.099 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023133 501932566 /nfs/dbraw/zinc/93/25/66/501932566.db2.gz WCLBESKKHJAIEQ-UYAOXDASSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115047 501978324 /nfs/dbraw/zinc/97/83/24/501978324.db2.gz OZLDLTXMDSRWNF-LAUBAEHRSA-N 1 3 361.493 3.364 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115047 501978330 /nfs/dbraw/zinc/97/83/30/501978330.db2.gz OZLDLTXMDSRWNF-LAUBAEHRSA-N 1 3 361.493 3.364 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141025 501988016 /nfs/dbraw/zinc/98/80/16/501988016.db2.gz XIZWHUKDYPGSHP-NSHGMRRFSA-N 1 3 373.541 3.398 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000482141025 501988024 /nfs/dbraw/zinc/98/80/24/501988024.db2.gz XIZWHUKDYPGSHP-NSHGMRRFSA-N 1 3 373.541 3.398 20 0 FGADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482145209 501989275 /nfs/dbraw/zinc/98/92/75/501989275.db2.gz NMMBVSXRLVGUOV-NRFANRHFSA-N 1 3 354.473 3.010 20 0 FGADHO CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475010108 502021105 /nfs/dbraw/zinc/02/11/05/502021105.db2.gz NAVFQIYKPYVOMT-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475018440 502022829 /nfs/dbraw/zinc/02/28/29/502022829.db2.gz UZSMOBIMQHMYMZ-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN(C)CC3CC[NH+](C)CC3)c2C)cc1 ZINC000468404903 502048640 /nfs/dbraw/zinc/04/86/40/502048640.db2.gz GHVGIPVKSPTBCF-UHFFFAOYSA-N 1 3 370.541 3.330 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093618 502055238 /nfs/dbraw/zinc/05/52/38/502055238.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093618 502055239 /nfs/dbraw/zinc/05/52/39/502055239.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000461267408 502058030 /nfs/dbraw/zinc/05/80/30/502058030.db2.gz SFBZTMMROXEFED-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000461267408 502058037 /nfs/dbraw/zinc/05/80/37/502058037.db2.gz SFBZTMMROXEFED-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113244 502063348 /nfs/dbraw/zinc/06/33/48/502063348.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113244 502063354 /nfs/dbraw/zinc/06/33/54/502063354.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128158 502070027 /nfs/dbraw/zinc/07/00/27/502070027.db2.gz FWYCIUULSUMLGB-FPOVZHCZSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101266 /nfs/dbraw/zinc/10/12/66/502101266.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101269 /nfs/dbraw/zinc/10/12/69/502101269.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 1 3 357.542 3.150 20 0 FGADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000468553000 502102397 /nfs/dbraw/zinc/10/23/97/502102397.db2.gz JRRXHWYFIACZPW-LJQANCHMSA-N 1 3 360.542 3.399 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000482544775 502106620 /nfs/dbraw/zinc/10/66/20/502106620.db2.gz VGWCFBCFIUCMNB-QGZVFWFLSA-N 1 3 370.493 3.292 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](OC)C(F)(F)F)CC1 ZINC000468604093 502120787 /nfs/dbraw/zinc/12/07/87/502120787.db2.gz XCJYDRDCKHWCSV-GOSISDBHSA-N 1 3 373.463 3.276 20 0 FGADHO CNC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833948 502149072 /nfs/dbraw/zinc/14/90/72/502149072.db2.gz DCPIPHHAXPWTIM-FGZHOGPDSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cc1 ZINC000471833948 502149078 /nfs/dbraw/zinc/14/90/78/502149078.db2.gz DCPIPHHAXPWTIM-FGZHOGPDSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cc1 ZINC000471833948 502149084 /nfs/dbraw/zinc/14/90/84/502149084.db2.gz DCPIPHHAXPWTIM-FGZHOGPDSA-N 1 3 365.521 3.218 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179132 /nfs/dbraw/zinc/17/91/32/502179132.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179135 /nfs/dbraw/zinc/17/91/35/502179135.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 1 3 360.546 3.021 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479221931 502197510 /nfs/dbraw/zinc/19/75/10/502197510.db2.gz LPBIKNRRFNPTGI-FQEVSTJZSA-N 1 3 357.473 3.026 20 0 FGADHO CCC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000482888695 502207844 /nfs/dbraw/zinc/20/78/44/502207844.db2.gz KNBGBSOCPDQFLC-HXUWFJFHSA-N 1 3 361.530 3.069 20 0 FGADHO CCC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000482888694 502207984 /nfs/dbraw/zinc/20/79/84/502207984.db2.gz KNBGBSOCPDQFLC-FQEVSTJZSA-N 1 3 361.530 3.069 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211892 /nfs/dbraw/zinc/21/18/92/502211892.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 1 3 359.514 3.220 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211898 /nfs/dbraw/zinc/21/18/98/502211898.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 1 3 359.514 3.220 20 0 FGADHO CCSc1cccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000472065056 502217483 /nfs/dbraw/zinc/21/74/83/502217483.db2.gz VZDNGCPAFWIHSO-UHFFFAOYSA-N 1 3 370.566 3.496 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000479389367 502243953 /nfs/dbraw/zinc/24/39/53/502243953.db2.gz PDGNEVABEZTCAP-ROUUACIJSA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000479389367 502243958 /nfs/dbraw/zinc/24/39/58/502243958.db2.gz PDGNEVABEZTCAP-ROUUACIJSA-N 1 3 366.575 3.305 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465458096 502269671 /nfs/dbraw/zinc/26/96/71/502269671.db2.gz YSHDOCIAUDAURH-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141580 502288049 /nfs/dbraw/zinc/28/80/49/502288049.db2.gz KKAJEEVIYUPZIN-ATNYBXOESA-N 1 3 371.447 3.482 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141580 502288056 /nfs/dbraw/zinc/28/80/56/502288056.db2.gz KKAJEEVIYUPZIN-ATNYBXOESA-N 1 3 371.447 3.482 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)CC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910456 502300775 /nfs/dbraw/zinc/30/07/75/502300775.db2.gz HYKRGKUYFRIWFK-WIYYLYMNSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)CC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910456 502300780 /nfs/dbraw/zinc/30/07/80/502300780.db2.gz HYKRGKUYFRIWFK-WIYYLYMNSA-N 1 3 357.542 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CCCC1 ZINC000465552195 502304507 /nfs/dbraw/zinc/30/45/07/502304507.db2.gz ZLOWBHVJLYNOCQ-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CCCC1 ZINC000465552195 502304511 /nfs/dbraw/zinc/30/45/11/502304511.db2.gz ZLOWBHVJLYNOCQ-LJQANCHMSA-N 1 3 352.567 3.014 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000465772971 502379693 /nfs/dbraw/zinc/37/96/93/502379693.db2.gz QYUMKFDPIOPYIV-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000479807774 502383704 /nfs/dbraw/zinc/38/37/04/502383704.db2.gz BFPHPXWAAIQUJD-TZIWHRDSSA-N 1 3 374.573 3.489 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000483494476 502411016 /nfs/dbraw/zinc/41/10/16/502411016.db2.gz ADIPZMYLHQZARA-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C[C@H]1C ZINC000483494476 502411020 /nfs/dbraw/zinc/41/10/20/502411020.db2.gz ADIPZMYLHQZARA-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435556 502415578 /nfs/dbraw/zinc/41/55/78/502415578.db2.gz CWZJDGCRGMLPAB-NHCUHLMSSA-N 1 3 374.573 3.174 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435556 502415582 /nfs/dbraw/zinc/41/55/82/502415582.db2.gz CWZJDGCRGMLPAB-NHCUHLMSSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890953 502417231 /nfs/dbraw/zinc/41/72/31/502417231.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N(C)Cc1ccccc1 ZINC000465890953 502417239 /nfs/dbraw/zinc/41/72/39/502417239.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538070 502425203 /nfs/dbraw/zinc/42/52/03/502425203.db2.gz LHOJOVFUJMJGCQ-ZWOKBUDYSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538070 502425209 /nfs/dbraw/zinc/42/52/09/502425209.db2.gz LHOJOVFUJMJGCQ-ZWOKBUDYSA-N 1 3 352.494 3.320 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465939352 502434164 /nfs/dbraw/zinc/43/41/64/502434164.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465939352 502434169 /nfs/dbraw/zinc/43/41/69/502434169.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029899 502451301 /nfs/dbraw/zinc/45/13/01/502451301.db2.gz GPHQVLIXAJLVKS-CQSZACIVSA-N 1 3 357.951 3.198 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000466030881 502459907 /nfs/dbraw/zinc/45/99/07/502459907.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000466030881 502459910 /nfs/dbraw/zinc/45/99/10/502459910.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008196 502498664 /nfs/dbraw/zinc/49/86/64/502498664.db2.gz ILWVBCWLLWXCEE-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008196 502498669 /nfs/dbraw/zinc/49/86/69/502498669.db2.gz ILWVBCWLLWXCEE-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)CCOc1ccc(CCNCc2ccc(Br)o2)cc1 ZINC000480355451 502545738 /nfs/dbraw/zinc/54/57/38/502545738.db2.gz MBUBHGLKYGIJND-UHFFFAOYSA-N 1 3 367.287 3.315 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000480358323 502546487 /nfs/dbraw/zinc/54/64/87/502546487.db2.gz YSFDTDSJECVSKH-KRWDZBQOSA-N 1 3 362.518 3.013 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCc3ccc(O)cc32)(N2CCCCC2)CC1 ZINC000462810480 502583536 /nfs/dbraw/zinc/58/35/36/502583536.db2.gz CSKKCFYCDIKSMT-OAQYLSRUSA-N 1 3 357.542 3.310 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595932 502614330 /nfs/dbraw/zinc/61/43/30/502614330.db2.gz PJVAWCBRZDVZFC-LPHOPBHVSA-N 1 3 372.513 3.270 20 0 FGADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC000473579924 502644244 /nfs/dbraw/zinc/64/42/44/502644244.db2.gz YXGSODIUWPRUEG-BHIFYINESA-N 1 3 369.553 3.087 20 0 FGADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC000473579924 502644247 /nfs/dbraw/zinc/64/42/47/502644247.db2.gz YXGSODIUWPRUEG-BHIFYINESA-N 1 3 369.553 3.087 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000476991429 502645126 /nfs/dbraw/zinc/64/51/26/502645126.db2.gz PYYIKPFOUCXFJJ-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211524 502659311 /nfs/dbraw/zinc/65/93/11/502659311.db2.gz ANKJHTLUMFPYNI-AZUAARDMSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850940 502688170 /nfs/dbraw/zinc/68/81/70/502688170.db2.gz VXHLPNNXDIJYAL-NQIIRXRSSA-N 1 3 351.494 3.059 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850940 502688178 /nfs/dbraw/zinc/68/81/78/502688178.db2.gz VXHLPNNXDIJYAL-NQIIRXRSSA-N 1 3 351.494 3.059 20 0 FGADHO COC(=O)c1ccccc1CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000480856480 502690761 /nfs/dbraw/zinc/69/07/61/502690761.db2.gz ZLUVNDNHQCHVOK-UHFFFAOYSA-N 1 3 367.493 3.259 20 0 FGADHO COC(=O)c1ccccc1CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000480856480 502690770 /nfs/dbraw/zinc/69/07/70/502690770.db2.gz ZLUVNDNHQCHVOK-UHFFFAOYSA-N 1 3 367.493 3.259 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919651 502777386 /nfs/dbraw/zinc/77/73/86/502777386.db2.gz UXMQQILCMDHHBU-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000470487086 502792676 /nfs/dbraw/zinc/79/26/76/502792676.db2.gz ONEMSDCOOQJRCB-FQEVSTJZSA-N 1 3 360.546 3.069 20 0 FGADHO O[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000513212255 502878922 /nfs/dbraw/zinc/87/89/22/502878922.db2.gz IYKJQYOBJUXZSE-QHCPKHFHSA-N 1 3 371.569 3.010 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000505509655 502922090 /nfs/dbraw/zinc/92/20/90/502922090.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000505509655 502922095 /nfs/dbraw/zinc/92/20/95/502922095.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 1 3 357.542 3.476 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000497122828 502922872 /nfs/dbraw/zinc/92/28/72/502922872.db2.gz BPXRHKQKMZVHDV-RBBKRZOGSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000497122828 502922878 /nfs/dbraw/zinc/92/28/78/502922878.db2.gz BPXRHKQKMZVHDV-RBBKRZOGSA-N 1 3 359.558 3.202 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063594 502925733 /nfs/dbraw/zinc/92/57/33/502925733.db2.gz QJSMTWRTIXTZEL-GOSISDBHSA-N 1 3 360.546 3.264 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149874 502949512 /nfs/dbraw/zinc/94/95/12/502949512.db2.gz IFJZANOMJFIRAI-OKZBNKHCSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149874 502949514 /nfs/dbraw/zinc/94/95/14/502949514.db2.gz IFJZANOMJFIRAI-OKZBNKHCSA-N 1 3 364.559 3.057 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cc4ccccc4o3)CC2)CC1 ZINC000501269876 502971752 /nfs/dbraw/zinc/97/17/52/502971752.db2.gz RQCJKXQMSVCURV-UHFFFAOYSA-N 1 3 369.509 3.040 20 0 FGADHO CC[C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N1CCc2ccccc2C1 ZINC000501377856 502996891 /nfs/dbraw/zinc/99/68/91/502996891.db2.gz SHNCEIHZFONPQS-OAQYLSRUSA-N 1 3 374.573 3.053 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613659 502998835 /nfs/dbraw/zinc/99/88/35/502998835.db2.gz TVZKXLMJAALQSQ-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501488889 503019507 /nfs/dbraw/zinc/01/95/07/503019507.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 1 3 366.594 3.307 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501488889 503019512 /nfs/dbraw/zinc/01/95/12/503019512.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCC[C@H]1C ZINC000501490213 503019633 /nfs/dbraw/zinc/01/96/33/503019633.db2.gz JOAYXPKQEQRDAH-MOPGFXCFSA-N 1 3 352.567 3.061 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501749819 503071824 /nfs/dbraw/zinc/07/18/24/503071824.db2.gz URNOSMNBTRRIEK-IBGZPJMESA-N 1 3 365.949 3.495 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501749819 503071828 /nfs/dbraw/zinc/07/18/28/503071828.db2.gz URNOSMNBTRRIEK-IBGZPJMESA-N 1 3 365.949 3.495 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965939 503075845 /nfs/dbraw/zinc/07/58/45/503075845.db2.gz WHNHRTVTZRHJKH-XLIFZOOWSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965939 503075846 /nfs/dbraw/zinc/07/58/46/503075846.db2.gz WHNHRTVTZRHJKH-XLIFZOOWSA-N 1 3 357.542 3.275 20 0 FGADHO Cn1c(=O)oc2cc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000510333546 503094072 /nfs/dbraw/zinc/09/40/72/503094072.db2.gz YJEZAZWTSYJZNV-INIZCTEOSA-N 1 3 371.506 3.195 20 0 FGADHO Cn1c(=O)oc2cc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000510333546 503094076 /nfs/dbraw/zinc/09/40/76/503094076.db2.gz YJEZAZWTSYJZNV-INIZCTEOSA-N 1 3 371.506 3.195 20 0 FGADHO COc1cc(N[C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067716 503102570 /nfs/dbraw/zinc/10/25/70/503102570.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 1 3 361.530 3.455 20 0 FGADHO COc1cc(N[C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067716 503102574 /nfs/dbraw/zinc/10/25/74/503102574.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 1 3 361.530 3.455 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000498106057 503107736 /nfs/dbraw/zinc/10/77/36/503107736.db2.gz FEDYYRNGGRDAER-YLJYHZDGSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211017 503113763 /nfs/dbraw/zinc/11/37/63/503113763.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211017 503113764 /nfs/dbraw/zinc/11/37/64/503113764.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000501955585 503116088 /nfs/dbraw/zinc/11/60/88/503116088.db2.gz JIBLPFODSNIMQQ-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514229970 503119334 /nfs/dbraw/zinc/11/93/34/503119334.db2.gz VKIDVHYLXBTBRM-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514229970 503119339 /nfs/dbraw/zinc/11/93/39/503119339.db2.gz VKIDVHYLXBTBRM-NSHGMRRFSA-N 1 3 360.546 3.017 20 0 FGADHO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000502030969 503129915 /nfs/dbraw/zinc/12/99/15/503129915.db2.gz IGUNVUUIYOVTDW-QHAWAJNXSA-N 1 3 357.542 3.442 20 0 FGADHO FC(F)(F)c1cccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000514603667 503147039 /nfs/dbraw/zinc/14/70/39/503147039.db2.gz VIKNLLUVXWMMFF-UHFFFAOYSA-N 1 3 369.475 3.255 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000514669222 503162840 /nfs/dbraw/zinc/16/28/40/503162840.db2.gz WPRRWOPYAWOOML-GMAHTHKFSA-N 1 3 372.553 3.438 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414390 503182942 /nfs/dbraw/zinc/18/29/42/503182942.db2.gz PHJKYHAKCNKFSS-XWDNEUNKSA-N 1 3 362.518 3.023 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414390 503182945 /nfs/dbraw/zinc/18/29/45/503182945.db2.gz PHJKYHAKCNKFSS-XWDNEUNKSA-N 1 3 362.518 3.023 20 0 FGADHO CC1CCN(CCNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502611315 503238468 /nfs/dbraw/zinc/23/84/68/503238468.db2.gz HVYIBBDTFJCGKO-UHFFFAOYSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC[C@H](C)C1)c1ccccc1 ZINC000502943022 503312084 /nfs/dbraw/zinc/31/20/84/503312084.db2.gz YJORUQUKKHVRPM-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412573 503316726 /nfs/dbraw/zinc/31/67/26/503316726.db2.gz DJUUFANDTLQGCK-UYAOXDASSA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412573 503316731 /nfs/dbraw/zinc/31/67/31/503316731.db2.gz DJUUFANDTLQGCK-UYAOXDASSA-N 1 3 374.573 3.317 20 0 FGADHO COCCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000515353070 503322322 /nfs/dbraw/zinc/32/23/22/503322322.db2.gz ACWAOZIYSWXJPY-CTNGQTDRSA-N 1 3 360.542 3.320 20 0 FGADHO CN(CCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccncc1 ZINC000515417601 503334795 /nfs/dbraw/zinc/33/47/95/503334795.db2.gz ZLVOIZDSJRFCQL-QGZVFWFLSA-N 1 3 374.916 3.023 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109555 503348491 /nfs/dbraw/zinc/34/84/91/503348491.db2.gz JSKRRMXLOLLKEJ-IRXDYDNUSA-N 1 3 364.534 3.130 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958114 503403950 /nfs/dbraw/zinc/40/39/50/503403950.db2.gz VCSUZIXYEAGLMG-FHWLQOOXSA-N 1 3 372.557 3.024 20 0 FGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000493734313 503442763 /nfs/dbraw/zinc/44/27/63/503442763.db2.gz FBMCRURXXHYDIJ-WMZHIEFXSA-N 1 3 367.537 3.300 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000493904842 503456006 /nfs/dbraw/zinc/45/60/06/503456006.db2.gz FMBMKJTZMCCJSL-UHFFFAOYSA-N 1 3 354.494 3.464 20 0 FGADHO c1cc2cc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)ccc2o1 ZINC000512135796 503466537 /nfs/dbraw/zinc/46/65/37/503466537.db2.gz OVLSGQDEOALALJ-UHFFFAOYSA-N 1 3 350.466 3.130 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000516328654 503495347 /nfs/dbraw/zinc/49/53/47/503495347.db2.gz AXFHDHJBLCNJQH-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO COc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)cc1Cl ZINC000499915361 503510078 /nfs/dbraw/zinc/51/00/78/503510078.db2.gz YEQZVPBHNQJOPW-UHFFFAOYSA-N 1 3 353.894 3.095 20 0 FGADHO COc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)cc1Cl ZINC000499915361 503510083 /nfs/dbraw/zinc/51/00/83/503510083.db2.gz YEQZVPBHNQJOPW-UHFFFAOYSA-N 1 3 353.894 3.095 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC(C)C)CC2)N(C)C)cc1 ZINC000504036922 503513418 /nfs/dbraw/zinc/51/34/18/503513418.db2.gz OYSDWTZBZGLTOD-OAQYLSRUSA-N 1 3 374.573 3.271 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508845837 503575896 /nfs/dbraw/zinc/57/58/96/503575896.db2.gz KVOWCAVPSNNDPS-QUCCMNQESA-N 1 3 362.562 3.360 20 0 FGADHO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000508851445 503577246 /nfs/dbraw/zinc/57/72/46/503577246.db2.gz HHODYFOYFUMZDW-FXAWDEMLSA-N 1 3 360.546 3.289 20 0 FGADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494662118 503587128 /nfs/dbraw/zinc/58/71/28/503587128.db2.gz ANKNNDQEHSGVBD-QGZVFWFLSA-N 1 3 371.447 3.128 20 0 FGADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494670527 503588358 /nfs/dbraw/zinc/58/83/58/503588358.db2.gz ZFGAUPYLXONORC-QGZVFWFLSA-N 1 3 371.447 3.128 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000494668153 503588833 /nfs/dbraw/zinc/58/88/33/503588833.db2.gz WBCLBFWPNQRJDG-XGHQBKJUSA-N 1 3 374.548 3.101 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891643 503631171 /nfs/dbraw/zinc/63/11/71/503631171.db2.gz IMZSVMGGROOMTI-HLIPFELVSA-N 1 3 357.542 3.311 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500541733 503644409 /nfs/dbraw/zinc/64/44/09/503644409.db2.gz WVFDZNWWCUSRTA-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117931 503674352 /nfs/dbraw/zinc/67/43/52/503674352.db2.gz GTADMUMFTPUELV-JNLAIUADSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117931 503674356 /nfs/dbraw/zinc/67/43/56/503674356.db2.gz GTADMUMFTPUELV-JNLAIUADSA-N 1 3 361.505 3.104 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122869 503675179 /nfs/dbraw/zinc/67/51/79/503675179.db2.gz TVWFJJOFKDFMLT-ICSRJNTNSA-N 1 3 357.542 3.450 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccccc2n1C ZINC000540301281 503732144 /nfs/dbraw/zinc/73/21/44/503732144.db2.gz GQCTZTUFOVNYFT-QGZVFWFLSA-N 1 3 366.509 3.407 20 0 FGADHO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCCCCC1 ZINC000517887629 503858551 /nfs/dbraw/zinc/85/85/51/503858551.db2.gz SYQCRXXXUWKBCW-IBGZPJMESA-N 1 3 364.578 3.301 20 0 FGADHO C[C@]1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)COc2ccccc2O1 ZINC000530212946 503879914 /nfs/dbraw/zinc/87/99/14/503879914.db2.gz SCHCBTDVUFXJTE-BULFRSBZSA-N 1 3 366.461 3.062 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011104 503888691 /nfs/dbraw/zinc/88/86/91/503888691.db2.gz DOOCZCUSAHKDQU-PZJWPPBQSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011104 503888696 /nfs/dbraw/zinc/88/86/96/503888696.db2.gz DOOCZCUSAHKDQU-PZJWPPBQSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccsc1 ZINC000540928768 503942396 /nfs/dbraw/zinc/94/23/96/503942396.db2.gz WZPYSASXMPCMPQ-SFHVURJKSA-N 1 3 360.527 3.169 20 0 FGADHO CN(CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccncc1 ZINC000540927294 503942449 /nfs/dbraw/zinc/94/24/49/503942449.db2.gz UTOOIOINVFAXRA-LJQANCHMSA-N 1 3 358.530 3.023 20 0 FGADHO CC[N@H+](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456840 503990218 /nfs/dbraw/zinc/99/02/18/503990218.db2.gz BMSYYXWUJZBMCD-LJQANCHMSA-N 1 3 359.558 3.176 20 0 FGADHO CC[N@@H+](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456840 503990224 /nfs/dbraw/zinc/99/02/24/503990224.db2.gz BMSYYXWUJZBMCD-LJQANCHMSA-N 1 3 359.558 3.176 20 0 FGADHO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527941409 504008334 /nfs/dbraw/zinc/00/83/34/504008334.db2.gz YVQOBGHOLOQULL-JQHSSLGASA-N 1 3 366.431 3.487 20 0 FGADHO Cc1ccccc1[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C ZINC000530713468 504062035 /nfs/dbraw/zinc/06/20/35/504062035.db2.gz BAKQOZLXXLDWAN-IBGZPJMESA-N 1 3 362.562 3.217 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000547421165 504098042 /nfs/dbraw/zinc/09/80/42/504098042.db2.gz XWFXWINOUKONOM-KURKYZTESA-N 1 3 371.525 3.019 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000519026181 504121364 /nfs/dbraw/zinc/12/13/64/504121364.db2.gz FZKCUALMEMTLQZ-XMSQKQJNSA-N 1 3 350.510 3.432 20 0 FGADHO CC(CN1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380916 504125668 /nfs/dbraw/zinc/12/56/68/504125668.db2.gz UKDUIEPIPNKAEV-VXKWHMMOSA-N 1 3 364.574 3.120 20 0 FGADHO CC(CN1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380916 504125674 /nfs/dbraw/zinc/12/56/74/504125674.db2.gz UKDUIEPIPNKAEV-VXKWHMMOSA-N 1 3 364.574 3.120 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000519145576 504149954 /nfs/dbraw/zinc/14/99/54/504149954.db2.gz VFWIDTPRIGKPLZ-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000519145576 504149958 /nfs/dbraw/zinc/14/99/58/504149958.db2.gz VFWIDTPRIGKPLZ-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000519370627 504204377 /nfs/dbraw/zinc/20/43/77/504204377.db2.gz NDDBGZLSRHPWGS-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737333 504204806 /nfs/dbraw/zinc/20/48/06/504204806.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737333 504204811 /nfs/dbraw/zinc/20/48/11/504204811.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443227 504221996 /nfs/dbraw/zinc/22/19/96/504221996.db2.gz IAZFRTLVBWJQET-MISYRCLQSA-N 1 3 350.547 3.347 20 0 FGADHO O=C(c1ccncc1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000541910820 504300128 /nfs/dbraw/zinc/30/01/28/504300128.db2.gz YTAOBCJCQZLISU-UHFFFAOYSA-N 1 3 370.541 3.073 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749765 504357189 /nfs/dbraw/zinc/35/71/89/504357189.db2.gz FCWZAUUOKCEISX-HXUWFJFHSA-N 1 3 372.513 3.018 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178252 504427456 /nfs/dbraw/zinc/42/74/56/504427456.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178252 504427458 /nfs/dbraw/zinc/42/74/58/504427458.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528904048 504442620 /nfs/dbraw/zinc/44/26/20/504442620.db2.gz HGCUEEYLTMTGAO-GOSISDBHSA-N 1 3 374.529 3.285 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528904048 504442624 /nfs/dbraw/zinc/44/26/24/504442624.db2.gz HGCUEEYLTMTGAO-GOSISDBHSA-N 1 3 374.529 3.285 20 0 FGADHO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483288 504461142 /nfs/dbraw/zinc/46/11/42/504461142.db2.gz WAGWAPPDUDMGKI-UGKGYDQZSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@H](NCCC(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483288 504461147 /nfs/dbraw/zinc/46/11/47/504461147.db2.gz WAGWAPPDUDMGKI-UGKGYDQZSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@H](NCCC(=O)NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483288 504461153 /nfs/dbraw/zinc/46/11/53/504461153.db2.gz WAGWAPPDUDMGKI-UGKGYDQZSA-N 1 3 365.521 3.193 20 0 FGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539072142 504464547 /nfs/dbraw/zinc/46/45/47/504464547.db2.gz MOMZADKXXHYXJB-LEWJYISDSA-N 1 3 357.542 3.427 20 0 FGADHO CN(CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000548739597 504548526 /nfs/dbraw/zinc/54/85/26/504548526.db2.gz OYVJJKSHYXMVSK-UHFFFAOYSA-N 1 3 351.494 3.144 20 0 FGADHO CCc1nc2ccccc2c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000548791430 504569310 /nfs/dbraw/zinc/56/93/10/504569310.db2.gz PCJVYLRENWOJRU-QGZVFWFLSA-N 1 3 353.510 3.440 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NCC2=CCN(C)CC2)CCCC1)c1ccccc1 ZINC000539475456 504583770 /nfs/dbraw/zinc/58/37/70/504583770.db2.gz QBZDSYLCZINEKZ-GOSISDBHSA-N 1 3 370.541 3.211 20 0 FGADHO CN(C)CCOCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000549222557 504728515 /nfs/dbraw/zinc/72/85/15/504728515.db2.gz OGMGDOKLRUXOKY-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000521582591 504760131 /nfs/dbraw/zinc/76/01/31/504760131.db2.gz PDAAMUUOWWOFEU-HSQYWUDLSA-N 1 3 365.521 3.260 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620167 504764986 /nfs/dbraw/zinc/76/49/86/504764986.db2.gz JNROYVTZDLPIQK-OALUTQOASA-N 1 3 372.557 3.181 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000565027747 504774968 /nfs/dbraw/zinc/77/49/68/504774968.db2.gz ACCDGWGAVJGGOK-UHFFFAOYSA-N 1 3 371.550 3.152 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000556239012 504826184 /nfs/dbraw/zinc/82/61/84/504826184.db2.gz ATPPUWWIMWHZJR-HRAATJIYSA-N 1 3 373.516 3.342 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000553098844 504827288 /nfs/dbraw/zinc/82/72/88/504827288.db2.gz ZKGDNFDWWBLOBC-QUCCMNQESA-N 1 3 373.541 3.106 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387863 504861420 /nfs/dbraw/zinc/86/14/20/504861420.db2.gz VQGHWWZZWPRIAP-CQSZACIVSA-N 1 3 358.267 3.113 20 0 FGADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000549774781 504894419 /nfs/dbraw/zinc/89/44/19/504894419.db2.gz NEABJQALKDALKC-NRFANRHFSA-N 1 3 373.541 3.040 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000565559708 504922906 /nfs/dbraw/zinc/92/29/06/504922906.db2.gz RRIJSDSNQPVBDI-APWZRJJASA-N 1 3 363.546 3.359 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCCn1ccnc1)c1ccccc1O2 ZINC000565575660 504926367 /nfs/dbraw/zinc/92/63/67/504926367.db2.gz XYKMIWVRHIOZMV-IBGZPJMESA-N 1 3 354.498 3.241 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2c(c1)CNC2 ZINC000562772725 504940574 /nfs/dbraw/zinc/94/05/74/504940574.db2.gz XNTGYKLHLLCUIZ-UHFFFAOYSA-N 1 3 350.466 3.207 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683843 504957633 /nfs/dbraw/zinc/95/76/33/504957633.db2.gz ONXZIDZQPVDZGH-GHTZIAJQSA-N 1 3 374.573 3.441 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857730 504997009 /nfs/dbraw/zinc/99/70/09/504997009.db2.gz GFILJYBNRBUNOA-QGZVFWFLSA-N 1 3 353.501 3.293 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877595 505003506 /nfs/dbraw/zinc/00/35/06/505003506.db2.gz HNROKGJRKKYUAU-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877595 505003508 /nfs/dbraw/zinc/00/35/08/505003508.db2.gz HNROKGJRKKYUAU-UYAOXDASSA-N 1 3 361.493 3.440 20 0 FGADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000562984627 505009445 /nfs/dbraw/zinc/00/94/45/505009445.db2.gz HLTRGQKHAADNLN-IBGZPJMESA-N 1 3 370.493 3.293 20 0 FGADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000565946627 505035081 /nfs/dbraw/zinc/03/50/81/505035081.db2.gz ZULIXPUTDRKPCR-GOSISDBHSA-N 1 3 356.432 3.215 20 0 FGADHO Cc1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000563082776 505041804 /nfs/dbraw/zinc/04/18/04/505041804.db2.gz ODZFGNINHXSCPZ-MJGOQNOKSA-N 1 3 359.514 3.316 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2ccncc2F)CC1 ZINC000550621066 505074634 /nfs/dbraw/zinc/07/46/34/505074634.db2.gz AZFFHXAUBZDQGR-QGZVFWFLSA-N 1 3 356.489 3.209 20 0 FGADHO CC1CCC(N2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC2)CC1 ZINC000563382944 505128394 /nfs/dbraw/zinc/12/83/94/505128394.db2.gz MDOLMGQUTVZDCM-UHFFFAOYSA-N 1 3 357.542 3.127 20 0 FGADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC000554412853 505169493 /nfs/dbraw/zinc/16/94/93/505169493.db2.gz SVZBPXBAKTZXKP-HXUWFJFHSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000554478589 505183150 /nfs/dbraw/zinc/18/31/50/505183150.db2.gz MGLKVFJSRQZGTA-PKOBYXMFSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000551270527 505190296 /nfs/dbraw/zinc/19/02/96/505190296.db2.gz OEXOOIRIDKMJIW-DBXWQHBBSA-N 1 3 355.530 3.324 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751454 505228487 /nfs/dbraw/zinc/22/84/87/505228487.db2.gz CJJQPCGHOPHDKA-GOSISDBHSA-N 1 3 365.587 3.265 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751454 505228491 /nfs/dbraw/zinc/22/84/91/505228491.db2.gz CJJQPCGHOPHDKA-GOSISDBHSA-N 1 3 365.587 3.265 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000554728374 505250924 /nfs/dbraw/zinc/25/09/24/505250924.db2.gz OAUVUIPXJFZRJV-UHFFFAOYSA-N 1 3 367.493 3.080 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000566747233 505262822 /nfs/dbraw/zinc/26/28/22/505262822.db2.gz FBMZBKCKEDKKMP-HBFSDRIKSA-N 1 3 363.590 3.371 20 0 FGADHO Cc1ccc(NC(=O)CCNCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000566792116 505274289 /nfs/dbraw/zinc/27/42/89/505274289.db2.gz KUCBCQIUNXKDIH-UHFFFAOYSA-N 1 3 352.482 3.104 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797104 505274896 /nfs/dbraw/zinc/27/48/96/505274896.db2.gz VUXPNEJCZMGGNO-IHPCNDPISA-N 1 3 365.521 3.339 20 0 FGADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000564098121 505325548 /nfs/dbraw/zinc/32/55/48/505325548.db2.gz GHXRNMSLWVLGGZ-UHFFFAOYSA-N 1 3 373.541 3.244 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000555148158 505364095 /nfs/dbraw/zinc/36/40/95/505364095.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 1 3 360.546 3.242 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000555148158 505364101 /nfs/dbraw/zinc/36/41/01/505364101.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 1 3 360.546 3.242 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000558415960 505382689 /nfs/dbraw/zinc/38/26/89/505382689.db2.gz FSYVQRXQMQACKM-BHDDXSALSA-N 1 3 364.489 3.473 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1Cc1ccccc1 ZINC000561591153 505385450 /nfs/dbraw/zinc/38/54/50/505385450.db2.gz PWFDUTMMUKRAFM-WIYYLYMNSA-N 1 3 372.557 3.261 20 0 FGADHO Cc1nc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)[nH]c1C ZINC000567180433 505386316 /nfs/dbraw/zinc/38/63/16/505386316.db2.gz JFPGROKNZBYJAR-IAGOWNOFSA-N 1 3 370.541 3.325 20 0 FGADHO C[N@@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284058 505418177 /nfs/dbraw/zinc/41/81/77/505418177.db2.gz AMBHTAZMRQERCA-SFTDATJTSA-N 1 3 351.494 3.118 20 0 FGADHO C[N@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284058 505418182 /nfs/dbraw/zinc/41/81/82/505418182.db2.gz AMBHTAZMRQERCA-SFTDATJTSA-N 1 3 351.494 3.118 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000564552563 505451204 /nfs/dbraw/zinc/45/12/04/505451204.db2.gz VGRSFXWEVQMHAK-XLIONFOSSA-N 1 3 372.557 3.289 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452941 505468133 /nfs/dbraw/zinc/46/81/33/505468133.db2.gz BCTCMNVWFCMWDC-KKSFZXQISA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452941 505468139 /nfs/dbraw/zinc/46/81/39/505468139.db2.gz BCTCMNVWFCMWDC-KKSFZXQISA-N 1 3 364.493 3.322 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000564764608 505512945 /nfs/dbraw/zinc/51/29/45/505512945.db2.gz PXNUADLYIXFGPH-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000564764608 505512950 /nfs/dbraw/zinc/51/29/50/505512950.db2.gz PXNUADLYIXFGPH-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000564793382 505522244 /nfs/dbraw/zinc/52/22/44/505522244.db2.gz GEIRESNIVJEHBA-YLJYHZDGSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564793382 505522249 /nfs/dbraw/zinc/52/22/49/505522249.db2.gz GEIRESNIVJEHBA-YLJYHZDGSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000564793382 505522254 /nfs/dbraw/zinc/52/22/54/505522254.db2.gz GEIRESNIVJEHBA-YLJYHZDGSA-N 1 3 360.542 3.106 20 0 FGADHO C[C@H](CNC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678560 505533000 /nfs/dbraw/zinc/53/30/00/505533000.db2.gz WBURQCBQIPTJHH-GPMSIDNRSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)CN1CCCC1 ZINC000567678560 505533005 /nfs/dbraw/zinc/53/30/05/505533005.db2.gz WBURQCBQIPTJHH-GPMSIDNRSA-N 1 3 354.922 3.100 20 0 FGADHO CN(CCN1CC[NH+](CC2Cc3ccccc3C2)CC1)Cc1ccccc1 ZINC000562207095 505540176 /nfs/dbraw/zinc/54/01/76/505540176.db2.gz UKPUQFCJLYUBRT-UHFFFAOYSA-N 1 3 363.549 3.151 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282330 506694748 /nfs/dbraw/zinc/69/47/48/506694748.db2.gz WRYMIYYUQYOJRH-YZGWKJHDSA-N 1 3 368.500 3.442 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282330 506694754 /nfs/dbraw/zinc/69/47/54/506694754.db2.gz WRYMIYYUQYOJRH-YZGWKJHDSA-N 1 3 368.500 3.442 20 0 FGADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000604081390 506707816 /nfs/dbraw/zinc/70/78/16/506707816.db2.gz QYYQHZWSIMTJAF-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177208 506737273 /nfs/dbraw/zinc/73/72/73/506737273.db2.gz ZSGLEWRRLJZJGM-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604202775 506749733 /nfs/dbraw/zinc/74/97/33/506749733.db2.gz ZSUBYJANTPNTFW-NRFANRHFSA-N 1 3 372.557 3.197 20 0 FGADHO COC(=O)c1cc2cc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730145 506752597 /nfs/dbraw/zinc/75/25/97/506752597.db2.gz KVQLZCCGLNVTDN-LMMKCTJWSA-N 1 3 372.465 3.080 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000612847168 506778423 /nfs/dbraw/zinc/77/84/23/506778423.db2.gz GKWYXVKVKYPYAM-NRFANRHFSA-N 1 3 374.573 3.189 20 0 FGADHO COC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1F ZINC000597190908 506825697 /nfs/dbraw/zinc/82/56/97/506825697.db2.gz HWKWTXOSIATUGY-UHFFFAOYSA-N 1 3 371.456 3.009 20 0 FGADHO Cc1ccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559032 506848889 /nfs/dbraw/zinc/84/88/89/506848889.db2.gz NHGKSPMAYFMSTO-PBEJRMEISA-N 1 3 372.534 3.205 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565151 506852008 /nfs/dbraw/zinc/85/20/08/506852008.db2.gz SJEAYWKSAJPRDV-ZYOFANERSA-N 1 3 369.553 3.063 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000604648246 506901214 /nfs/dbraw/zinc/90/12/14/506901214.db2.gz DLJRIBKGANTTSC-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C)cc1 ZINC000604784711 506943237 /nfs/dbraw/zinc/94/32/37/506943237.db2.gz NIHMEIQHJWQCPZ-MOPGFXCFSA-N 1 3 362.562 3.263 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3ccco3)CC2)CC1 ZINC000604814304 506954239 /nfs/dbraw/zinc/95/42/39/506954239.db2.gz CIYBRGUJMCZATP-IBGZPJMESA-N 1 3 374.529 3.075 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772022 506964575 /nfs/dbraw/zinc/96/45/75/506964575.db2.gz KEKXBSJFGVLMHR-SFHVURJKSA-N 1 3 368.953 3.316 20 0 FGADHO CC[NH+](CC)CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000591096087 507112874 /nfs/dbraw/zinc/11/28/74/507112874.db2.gz PDNAOEKNLIYFRR-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558650 507292168 /nfs/dbraw/zinc/29/21/68/507292168.db2.gz XVPFFNSZPMWCRP-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579395 507301695 /nfs/dbraw/zinc/30/16/95/507301695.db2.gz XJRYJAXLFPVDRQ-SMDDNHRTSA-N 1 3 356.251 3.084 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000601285230 507321964 /nfs/dbraw/zinc/32/19/64/507321964.db2.gz GRSQNMXXNDTXIW-NHCUHLMSSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000601296287 507326232 /nfs/dbraw/zinc/32/62/32/507326232.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)N(C)Cc1ccccc1 ZINC000601296287 507326238 /nfs/dbraw/zinc/32/62/38/507326238.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000595067855 507376533 /nfs/dbraw/zinc/37/65/33/507376533.db2.gz QGIQUSSIMJWXNG-QLXKLKPCSA-N 1 3 371.550 3.382 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](CC3CC3)C2)CC1 ZINC000584543251 507403625 /nfs/dbraw/zinc/40/36/25/507403625.db2.gz BTHJPLIPDXFAHH-HXUWFJFHSA-N 1 3 369.553 3.198 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000606705623 507489712 /nfs/dbraw/zinc/48/97/12/507489712.db2.gz FWNQFJWPXQJALU-UHFFFAOYSA-N 1 3 366.594 3.406 20 0 FGADHO CCOc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000584865921 507548313 /nfs/dbraw/zinc/54/83/13/507548313.db2.gz LLQWDLCTWSQFCD-GOSISDBHSA-N 1 3 351.510 3.072 20 0 FGADHO CCOc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1F ZINC000584865921 507548322 /nfs/dbraw/zinc/54/83/22/507548322.db2.gz LLQWDLCTWSQFCD-GOSISDBHSA-N 1 3 351.510 3.072 20 0 FGADHO CC[C@@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000602127393 507600959 /nfs/dbraw/zinc/60/09/59/507600959.db2.gz NBAKWDGGDUOPJC-LEWJYISDSA-N 1 3 359.558 3.130 20 0 FGADHO CC[C@@H](Cc1ccccc1)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000602127393 507600965 /nfs/dbraw/zinc/60/09/65/507600965.db2.gz NBAKWDGGDUOPJC-LEWJYISDSA-N 1 3 359.558 3.130 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000592380125 507628199 /nfs/dbraw/zinc/62/81/99/507628199.db2.gz RHUFBBCBCPZVND-ZWKOTPCHSA-N 1 3 362.514 3.227 20 0 FGADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1SC ZINC000069160113 695947820 /nfs/dbraw/zinc/94/78/20/695947820.db2.gz CILXXEBAWXOXQO-IYBDPMFKSA-N 1 3 352.544 3.396 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831099 705431087 /nfs/dbraw/zinc/43/10/87/705431087.db2.gz GBXKDZWRSGZRPS-ROUUACIJSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390864 712889358 /nfs/dbraw/zinc/88/93/58/712889358.db2.gz VGLOXKFBUGXBMZ-KURKYZTESA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390864 712889359 /nfs/dbraw/zinc/88/93/59/712889359.db2.gz VGLOXKFBUGXBMZ-KURKYZTESA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391319 713648464 /nfs/dbraw/zinc/64/84/64/713648464.db2.gz UUICNJRUJVBGEF-ROUUACIJSA-N 1 3 353.551 3.486 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000643548215 718038630 /nfs/dbraw/zinc/03/86/30/718038630.db2.gz TZCGFSQQOSVARI-PWXKEOIMSA-N 1 3 359.905 3.268 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000623424953 715334077 /nfs/dbraw/zinc/33/40/77/715334077.db2.gz LZQGFEHMGVMMLF-BETUJISGSA-N 1 3 361.349 3.490 20 0 FGADHO O[C@H](CN[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000623872078 715420356 /nfs/dbraw/zinc/42/03/56/715420356.db2.gz VFTCGANELKEFAW-BHIYHBOVSA-N 1 3 352.519 3.275 20 0 FGADHO C[C@@H]1CNC[C@@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551104 718367217 /nfs/dbraw/zinc/36/72/17/718367217.db2.gz YALFDANVQZATBP-KSSFIOAISA-N 1 3 355.448 3.257 20 0 FGADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551104 718367218 /nfs/dbraw/zinc/36/72/18/718367218.db2.gz YALFDANVQZATBP-KSSFIOAISA-N 1 3 355.448 3.257 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648437169 718426839 /nfs/dbraw/zinc/42/68/39/718426839.db2.gz QZDTVKRGPBSIAJ-OKILXGFUSA-N 1 3 351.878 3.460 20 0 FGADHO Cc1cc(Br)ccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707345 718717667 /nfs/dbraw/zinc/71/76/67/718717667.db2.gz DATKHWKSXLSXLB-SZMVWBNQSA-N 1 3 367.331 3.476 20 0 FGADHO Cc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708143 718717717 /nfs/dbraw/zinc/71/77/17/718717717.db2.gz UIKRAZRBOYEEEF-BQFCYCMXSA-N 1 3 367.331 3.476 20 0 FGADHO Cc1c(Br)cccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350381 718935196 /nfs/dbraw/zinc/93/51/96/718935196.db2.gz WJFFIPBUXLUOPV-BQFCYCMXSA-N 1 3 367.331 3.476 20 0 FGADHO Cc1c(Br)cncc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000657368062 719634973 /nfs/dbraw/zinc/63/49/73/719634973.db2.gz UDZMLPCRLHZLFQ-KBPBESRZSA-N 1 3 370.335 3.132 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662279726 720408960 /nfs/dbraw/zinc/40/89/60/720408960.db2.gz BLLKIJYZGGPQSM-SJLPKXTDSA-N 1 3 356.482 3.275 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298685 720412085 /nfs/dbraw/zinc/41/20/85/720412085.db2.gz WUZRWQBVFGMARQ-CRAIPNDOSA-N 1 3 363.933 3.056 20 0 FGADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H](c1cccs1)N1CCCC1 ZINC000662347174 720417579 /nfs/dbraw/zinc/41/75/79/720417579.db2.gz CYQNMIAUQGPZKK-QZTJIDSGSA-N 1 3 355.507 3.236 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccsc1 ZINC000663620731 720530712 /nfs/dbraw/zinc/53/07/12/720530712.db2.gz RLNKEVLYQLYHQL-ROUUACIJSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccsc1 ZINC000663620731 720530708 /nfs/dbraw/zinc/53/07/08/720530708.db2.gz RLNKEVLYQLYHQL-ROUUACIJSA-N 1 3 366.575 3.257 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857784 720991465 /nfs/dbraw/zinc/99/14/65/720991465.db2.gz JGIDMUVNKMQJTH-QWHCGFSZSA-N 1 3 359.392 3.034 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600164 721966719 /nfs/dbraw/zinc/96/67/19/721966719.db2.gz JMUJUELSLKRDHJ-JQHSSLGASA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600164 721966720 /nfs/dbraw/zinc/96/67/20/721966720.db2.gz JMUJUELSLKRDHJ-JQHSSLGASA-N 1 3 356.432 3.073 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486862 722413177 /nfs/dbraw/zinc/41/31/77/722413177.db2.gz NWJIFFHXSJMTOS-OWSLCNJRSA-N 1 3 351.535 3.096 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563866 722415970 /nfs/dbraw/zinc/41/59/70/722415970.db2.gz YIOBOJVMGIKLFX-MSOLQXFVSA-N 1 3 353.551 3.486 20 0 FGADHO Cc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)n1 ZINC000733993332 722503193 /nfs/dbraw/zinc/50/31/93/722503193.db2.gz MEVLNNPDGGFMKF-AWEZNQCLSA-N 1 3 351.376 3.072 20 0 FGADHO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)n1 ZINC000733993332 722503194 /nfs/dbraw/zinc/50/31/94/722503194.db2.gz MEVLNNPDGGFMKF-AWEZNQCLSA-N 1 3 351.376 3.072 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000756644243 722968126 /nfs/dbraw/zinc/96/81/26/722968126.db2.gz ZWWIRIDHGXLIEZ-LMDPOFIKSA-N 1 3 364.555 3.236 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024394 /nfs/dbraw/zinc/02/43/94/723024394.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 1 3 352.881 3.461 20 0 FGADHO O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024396 /nfs/dbraw/zinc/02/43/96/723024396.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 1 3 352.881 3.461 20 0 FGADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000794836957 723548544 /nfs/dbraw/zinc/54/85/44/723548544.db2.gz QJXTWTJPIPTESW-FCCDEINASA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CCC[C@H]1C ZINC000766272572 723565739 /nfs/dbraw/zinc/56/57/39/723565739.db2.gz YYFBSSBNJFCULU-HZPDHXFCSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CCC[C@H]1C ZINC000766272572 723565741 /nfs/dbraw/zinc/56/57/41/723565741.db2.gz YYFBSSBNJFCULU-HZPDHXFCSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766273313 723565794 /nfs/dbraw/zinc/56/57/94/723565794.db2.gz OZQFQDNADCOQHK-KGLIPLIRSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766273313 723565798 /nfs/dbraw/zinc/56/57/98/723565798.db2.gz OZQFQDNADCOQHK-KGLIPLIRSA-N 1 3 368.319 3.240 20 0 FGADHO CC[N@H+](CCC1CCN(C[C@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311938 724004990 /nfs/dbraw/zinc/00/49/90/724004990.db2.gz JWWTWQHYPHKPLO-FQEVSTJZSA-N 1 3 351.510 3.334 20 0 FGADHO CC[N@@H+](CCC1CCN(C[C@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311938 724004994 /nfs/dbraw/zinc/00/49/94/724004994.db2.gz JWWTWQHYPHKPLO-FQEVSTJZSA-N 1 3 351.510 3.334 20 0 FGADHO O[C@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CN1CCCC1 ZINC000775872589 724076168 /nfs/dbraw/zinc/07/61/68/724076168.db2.gz VSTBJTUMSVYDPX-SJORKVTESA-N 1 3 371.294 3.086 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801948999 724349675 /nfs/dbraw/zinc/34/96/75/724349675.db2.gz AKGYXAIKAKBUMM-MSOLQXFVSA-N 1 3 353.551 3.440 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801948999 724349677 /nfs/dbraw/zinc/34/96/77/724349677.db2.gz AKGYXAIKAKBUMM-MSOLQXFVSA-N 1 3 353.551 3.440 20 0 FGADHO C[NH+](C)[C@H]1CCCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801948999 724349680 /nfs/dbraw/zinc/34/96/80/724349680.db2.gz AKGYXAIKAKBUMM-MSOLQXFVSA-N 1 3 353.551 3.440 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045139 /nfs/dbraw/zinc/04/51/39/727045139.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 1 3 356.432 3.027 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045140 /nfs/dbraw/zinc/04/51/40/727045140.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 1 3 356.432 3.027 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(Cl)c(C)c3)CC2)CC1 ZINC000817413936 727248886 /nfs/dbraw/zinc/24/88/86/727248886.db2.gz MRPRIHNRJLDQBF-UHFFFAOYSA-N 1 3 350.938 3.035 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000817900257 727287455 /nfs/dbraw/zinc/28/74/55/727287455.db2.gz LSNCUOIZYRWXOT-MWDXBVQZSA-N 1 3 358.404 3.129 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000817916975 727287785 /nfs/dbraw/zinc/28/77/85/727287785.db2.gz CAYCUXDNJVXZIE-KWFDTGPKSA-N 1 3 351.853 3.414 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339908 727308325 /nfs/dbraw/zinc/30/83/25/727308325.db2.gz FYUBAFLMJWWVOS-CYBMUJFWSA-N 1 3 369.481 3.404 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Br)cc1 ZINC000819277464 727363568 /nfs/dbraw/zinc/36/35/68/727363568.db2.gz CANWEJXWAYBZKT-JCYILVPMSA-N 1 3 353.304 3.089 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825343002 729379499 /nfs/dbraw/zinc/37/94/99/729379499.db2.gz HHDWAYLNLTVXPL-QGZVFWFLSA-N 1 3 355.320 3.193 20 0 FGADHO Cc1cc(Br)cn2c(CNCc3ccc(CC[NH3+])cc3)cnc12 ZINC000841032083 730204720 /nfs/dbraw/zinc/20/47/20/730204720.db2.gz JOBDQAJZPXHREO-UHFFFAOYSA-N 1 3 373.298 3.196 20 0 FGADHO CCOc1cc(CNCc2ccc(CC[NH3+])cc2)ccc1OC(F)F ZINC000841035990 730205089 /nfs/dbraw/zinc/20/50/89/730205089.db2.gz MJBCBJDPFYRJGQ-UHFFFAOYSA-N 1 3 350.409 3.478 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172475 730690408 /nfs/dbraw/zinc/69/04/08/730690408.db2.gz UXIQJDAYQUOTBR-DLBZAZTESA-N 1 3 366.937 3.060 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934734 730910472 /nfs/dbraw/zinc/91/04/72/730910472.db2.gz DJTNNDMSDKXMGF-ADKAHSJRSA-N 1 3 353.551 3.390 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCCSC)CC2)CC1 ZINC000847710852 731082403 /nfs/dbraw/zinc/08/24/03/731082403.db2.gz CXDLQFSADWUTFS-UHFFFAOYSA-N 1 3 369.619 3.222 20 0 FGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)ccn1 ZINC000850516656 731367219 /nfs/dbraw/zinc/36/72/19/731367219.db2.gz IHXJMHZRGGTOBB-QYZOEREBSA-N 1 3 363.596 3.263 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000855346237 731920500 /nfs/dbraw/zinc/92/05/00/731920500.db2.gz SQSLPZIOKOLKBQ-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000855346237 731920501 /nfs/dbraw/zinc/92/05/01/731920501.db2.gz SQSLPZIOKOLKBQ-ZDUSSCGKSA-N 1 3 351.878 3.088 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491472 732220237 /nfs/dbraw/zinc/22/02/37/732220237.db2.gz IRQHZLOKVRSARK-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988503 733542962 /nfs/dbraw/zinc/54/29/62/733542962.db2.gz NEKWLPUYYJOPHS-KDOFPFPSSA-N 1 3 358.873 3.259 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)c2)nn1 ZINC000873218471 735739301 /nfs/dbraw/zinc/73/93/01/735739301.db2.gz HMPNJKJKDAQAMQ-UHFFFAOYSA-N 1 3 367.400 3.096 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CCC4(CC3)CC[NH+](C)CC4)cc12 ZINC000877683899 736704331 /nfs/dbraw/zinc/70/43/31/736704331.db2.gz AORXIIMOFZVTPU-UHFFFAOYSA-N 1 3 361.921 3.238 20 0 FGADHO CN1CC[NH+](C2CCN(Cc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000877747139 736713537 /nfs/dbraw/zinc/71/35/37/736713537.db2.gz WCOOTJVNNZJYRS-UHFFFAOYSA-N 1 3 355.448 3.003 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794291 743776280 /nfs/dbraw/zinc/77/62/80/743776280.db2.gz UZRNJQLUUHNFSD-NWDGAFQWSA-N 1 3 363.449 3.005 20 0 FGADHO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H](N)CC(F)F)cc1OC ZINC000903904419 743894764 /nfs/dbraw/zinc/89/47/64/743894764.db2.gz UXYLDCOESVBJGD-JKSUJKDBSA-N 1 3 356.457 3.473 20 0 FGADHO COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@@H](N)CC(F)F)cc1OC ZINC000903904419 743894769 /nfs/dbraw/zinc/89/47/69/743894769.db2.gz UXYLDCOESVBJGD-JKSUJKDBSA-N 1 3 356.457 3.473 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@@]3(C)CCCNC3)CC[C@@H]2C1 ZINC000904372092 743950035 /nfs/dbraw/zinc/95/00/35/743950035.db2.gz YIDQXEBIVDIDCJ-YZLZLFLDSA-N 1 3 351.535 3.001 20 0 FGADHO CC[C@](O)(CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074333 743991578 /nfs/dbraw/zinc/99/15/78/743991578.db2.gz GQXYJUYOFFHFGO-ZFWWWQNUSA-N 1 3 350.450 3.253 20 0 FGADHO CC[C@](O)(CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074333 743991579 /nfs/dbraw/zinc/99/15/79/743991579.db2.gz GQXYJUYOFFHFGO-ZFWWWQNUSA-N 1 3 350.450 3.253 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127117 743994300 /nfs/dbraw/zinc/99/43/00/743994300.db2.gz IZGCXQMVQLFMMN-SCLBCKFNSA-N 1 3 373.324 3.117 20 0 FGADHO CCC[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038928 759435184 /nfs/dbraw/zinc/43/51/84/759435184.db2.gz HTCDVVMONRWYQI-CRAIPNDOSA-N 1 3 350.938 3.334 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3ccc(Br)cc3)C1)[NH2+]2 ZINC000925476602 759494737 /nfs/dbraw/zinc/49/47/37/759494737.db2.gz HIWITYGNVXSWAA-YOQCSXPPSA-N 1 3 364.331 3.146 20 0 FGADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925778921 759536395 /nfs/dbraw/zinc/53/63/95/759536395.db2.gz VHYYTBJARRNBGQ-PWSUYJOCSA-N 1 3 365.237 3.354 20 0 FGADHO CSC1(CN[C@H](C)c2cccc(Br)n2)CC[NH+](C)CC1 ZINC000926448268 759754226 /nfs/dbraw/zinc/75/42/26/759754226.db2.gz MUWFFKIXBPSVQA-GFCCVEGCSA-N 1 3 358.349 3.322 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879519 759836553 /nfs/dbraw/zinc/83/65/53/759836553.db2.gz LJLXLLZRMRGDGK-RISVGRPXSA-N 1 3 363.933 3.182 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879519 759836558 /nfs/dbraw/zinc/83/65/58/759836558.db2.gz LJLXLLZRMRGDGK-RISVGRPXSA-N 1 3 363.933 3.182 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cc(C)sc3C)CC2)CC[N@@H+]1C ZINC001002863355 765349665 /nfs/dbraw/zinc/34/96/65/765349665.db2.gz VVFMIBAEZGEEKN-RBUKOAKNSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cc(C)sc3C)CC2)CC[N@H+]1C ZINC001002863355 765349676 /nfs/dbraw/zinc/34/96/76/765349676.db2.gz VVFMIBAEZGEEKN-RBUKOAKNSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC001045044397 766504323 /nfs/dbraw/zinc/50/43/23/766504323.db2.gz GMHWETBCWYAKJP-OFQRWUPVSA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC001045044397 766504332 /nfs/dbraw/zinc/50/43/32/766504332.db2.gz GMHWETBCWYAKJP-OFQRWUPVSA-N 1 3 369.962 3.212 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC001052393857 766900471 /nfs/dbraw/zinc/90/04/71/766900471.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001052393857 766900474 /nfs/dbraw/zinc/90/04/74/766900474.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 1 3 363.933 3.151 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955633 505619789 /nfs/dbraw/zinc/61/97/89/505619789.db2.gz UDECTPJEDKPHPR-KRWDZBQOSA-N 1 3 373.447 3.405 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955633 505619792 /nfs/dbraw/zinc/61/97/92/505619792.db2.gz UDECTPJEDKPHPR-KRWDZBQOSA-N 1 3 373.447 3.405 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@@H](C)O1 ZINC000571122538 505658297 /nfs/dbraw/zinc/65/82/97/505658297.db2.gz GXNKHZYFMXPVFH-IAGOWNOFSA-N 1 3 372.513 3.381 20 0 FGADHO C[NH+](C)CCOCCNCc1csc2c1cccc2Br ZINC000580097739 505676806 /nfs/dbraw/zinc/67/68/06/505676806.db2.gz YLUJRBCVOKDDQF-UHFFFAOYSA-N 1 3 357.317 3.332 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000047978707 493769202 /nfs/dbraw/zinc/76/92/02/493769202.db2.gz YAHDKWMYLOBVAB-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000057843939 493807565 /nfs/dbraw/zinc/80/75/65/493807565.db2.gz FPOQRMRICKVUSH-UHFFFAOYSA-N 1 3 351.494 3.130 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000057843939 493807568 /nfs/dbraw/zinc/80/75/68/493807568.db2.gz FPOQRMRICKVUSH-UHFFFAOYSA-N 1 3 351.494 3.130 20 0 FGADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263155 493839461 /nfs/dbraw/zinc/83/94/61/493839461.db2.gz LQJJPVKIGBPWGP-OAQYLSRUSA-N 1 3 355.526 3.128 20 0 FGADHO C[C@H](c1ccc(F)cc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000076324698 493865764 /nfs/dbraw/zinc/86/57/64/493865764.db2.gz UZGHQZKAAXIZGI-MRXNPFEDSA-N 1 3 363.521 3.303 20 0 FGADHO C[N@H+](CCOc1cccc(CNCc2ccccc2)c1)C1CCOCC1 ZINC000076399907 493885354 /nfs/dbraw/zinc/88/53/54/493885354.db2.gz SPTRAZHBKWBWAA-UHFFFAOYSA-N 1 3 354.494 3.466 20 0 FGADHO C[N@@H+](CCOc1cccc(CNCc2ccccc2)c1)C1CCOCC1 ZINC000076399907 493885357 /nfs/dbraw/zinc/88/53/57/493885357.db2.gz SPTRAZHBKWBWAA-UHFFFAOYSA-N 1 3 354.494 3.466 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402097 /nfs/dbraw/zinc/40/20/97/506402097.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 1 3 368.562 3.056 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402113 /nfs/dbraw/zinc/40/21/13/506402113.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 1 3 368.562 3.056 20 0 FGADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000069181265 493933207 /nfs/dbraw/zinc/93/32/07/493933207.db2.gz ANTQJAHXZHOCRT-SFHVURJKSA-N 1 3 357.523 3.377 20 0 FGADHO CC(C)COc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802625 493935859 /nfs/dbraw/zinc/93/58/59/493935859.db2.gz NFJJIFIVKADPFX-UHFFFAOYSA-N 1 3 373.541 3.010 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000061795018 493994757 /nfs/dbraw/zinc/99/47/57/493994757.db2.gz RGUTVCSTLYZBJI-NRFANRHFSA-N 1 3 368.525 3.240 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000061795018 493994761 /nfs/dbraw/zinc/99/47/61/493994761.db2.gz RGUTVCSTLYZBJI-NRFANRHFSA-N 1 3 368.525 3.240 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084440688 494073282 /nfs/dbraw/zinc/07/32/82/494073282.db2.gz YUGPXXMMNDGGQA-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084440688 494073288 /nfs/dbraw/zinc/07/32/88/494073288.db2.gz YUGPXXMMNDGGQA-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000063915467 494096975 /nfs/dbraw/zinc/09/69/75/494096975.db2.gz FAFAIVUQAMKSRA-UHFFFAOYSA-N 1 3 351.494 3.274 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000053958228 494177586 /nfs/dbraw/zinc/17/75/86/494177586.db2.gz NKKCSLWVSAADRW-UHFFFAOYSA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072694614 494235142 /nfs/dbraw/zinc/23/51/42/494235142.db2.gz MFNVYYKOCKTUNT-UHFFFAOYSA-N 1 3 356.514 3.195 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000043062938 494261302 /nfs/dbraw/zinc/26/13/02/494261302.db2.gz ZLDOEIOUMCDGLO-UHFFFAOYSA-N 1 3 374.573 3.377 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000065992144 494266787 /nfs/dbraw/zinc/26/67/87/494266787.db2.gz GNZNRVTYAAIYES-UHFFFAOYSA-N 1 3 365.521 3.147 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444713 494307667 /nfs/dbraw/zinc/30/76/67/494307667.db2.gz IYAWKQOBWZUCRK-IBGZPJMESA-N 1 3 374.529 3.077 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444713 494307668 /nfs/dbraw/zinc/30/76/68/494307668.db2.gz IYAWKQOBWZUCRK-IBGZPJMESA-N 1 3 374.529 3.077 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000571386329 505721369 /nfs/dbraw/zinc/72/13/69/505721369.db2.gz HZZCPHWAZABAAW-WEYGHZABSA-N 1 3 353.510 3.487 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773589 494426502 /nfs/dbraw/zinc/42/65/02/494426502.db2.gz JZCRVDMBUVNADG-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090846161 494500173 /nfs/dbraw/zinc/50/01/73/494500173.db2.gz HLELNLWDSBCIJE-MRXNPFEDSA-N 1 3 358.530 3.336 20 0 FGADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000090964786 494506908 /nfs/dbraw/zinc/50/69/08/494506908.db2.gz UYIOEFIQBLWITP-QFBILLFUSA-N 1 3 370.493 3.290 20 0 FGADHO C[NH+](C)CCCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568579576 505727411 /nfs/dbraw/zinc/72/74/11/505727411.db2.gz UCORELQUPAQFBC-JOCHJYFZSA-N 1 3 357.542 3.233 20 0 FGADHO COc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587378 494678039 /nfs/dbraw/zinc/67/80/39/494678039.db2.gz UBMPVBFAMULBRU-IRXDYDNUSA-N 1 3 362.514 3.025 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131670636 494693783 /nfs/dbraw/zinc/69/37/83/494693783.db2.gz WZOPTYBQLQQWKZ-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO c1cnn(Cc2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)c1 ZINC000568617131 505737797 /nfs/dbraw/zinc/73/77/97/505737797.db2.gz JOJHQRSLMFISNX-JTHBVZDNSA-N 1 3 374.488 3.277 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000121371412 494724425 /nfs/dbraw/zinc/72/44/25/494724425.db2.gz IYZXUQHPHAIWDV-CABCVRRESA-N 1 3 373.463 3.351 20 0 FGADHO C[C@H](CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000131915493 494772438 /nfs/dbraw/zinc/77/24/38/494772438.db2.gz DPWVYEZDVVPJTI-GOSISDBHSA-N 1 3 357.542 3.245 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132228 494773381 /nfs/dbraw/zinc/77/33/81/494773381.db2.gz LBIDUUYRSMFGNJ-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491006 494799672 /nfs/dbraw/zinc/79/96/72/494799672.db2.gz JBAFSRAPWCVEBA-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491006 494799678 /nfs/dbraw/zinc/79/96/78/494799678.db2.gz JBAFSRAPWCVEBA-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000126675034 494816976 /nfs/dbraw/zinc/81/69/76/494816976.db2.gz WDPYZTWKEDFJEB-HSZRJFAPSA-N 1 3 365.521 3.220 20 0 FGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000121731498 494847211 /nfs/dbraw/zinc/84/72/11/494847211.db2.gz PUSUQPVACVUQER-AWEZNQCLSA-N 1 3 356.507 3.002 20 0 FGADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574322667 505747136 /nfs/dbraw/zinc/74/71/36/505747136.db2.gz RWUHSJJJQFYMHF-GOSISDBHSA-N 1 3 356.489 3.450 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000132829176 494930184 /nfs/dbraw/zinc/93/01/84/494930184.db2.gz ZROKUZHQKIKHCT-UHFFFAOYSA-N 1 3 374.451 3.139 20 0 FGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132928950 494944319 /nfs/dbraw/zinc/94/43/19/494944319.db2.gz FLOSXRMRYUVEMV-GJZGRUSLSA-N 1 3 354.441 3.440 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132974200 494950769 /nfs/dbraw/zinc/95/07/69/494950769.db2.gz JVEXLDDVVREIRX-IEBWSBKVSA-N 1 3 368.525 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132974200 494950773 /nfs/dbraw/zinc/95/07/73/494950773.db2.gz JVEXLDDVVREIRX-IEBWSBKVSA-N 1 3 368.525 3.332 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000127879207 495012323 /nfs/dbraw/zinc/01/23/23/495012323.db2.gz JMNUVXUGWUJFDE-UHFFFAOYSA-N 1 3 368.525 3.022 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000118759072 495032379 /nfs/dbraw/zinc/03/23/79/495032379.db2.gz SCXHQZMLJZLMGL-UHFFFAOYSA-N 1 3 365.477 3.486 20 0 FGADHO Cc1ccc(-c2noc(CCCN(C)C[C@H]3CCC[N@H+](C)C3)n2)cc1F ZINC000118841307 495047145 /nfs/dbraw/zinc/04/71/45/495047145.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 1 3 360.477 3.390 20 0 FGADHO Cc1ccc(-c2noc(CCCN(C)C[C@H]3CCC[N@@H+](C)C3)n2)cc1F ZINC000118841307 495047150 /nfs/dbraw/zinc/04/71/50/495047150.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 1 3 360.477 3.390 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144382 495061840 /nfs/dbraw/zinc/06/18/40/495061840.db2.gz FEOKPVRXIBNEMH-ZBFHGGJFSA-N 1 3 360.420 3.329 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1Br ZINC000128288555 495073521 /nfs/dbraw/zinc/07/35/21/495073521.db2.gz RRZCLEUISNHNDP-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccccc1Br ZINC000128288555 495073525 /nfs/dbraw/zinc/07/35/25/495073525.db2.gz RRZCLEUISNHNDP-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123135358 495085277 /nfs/dbraw/zinc/08/52/77/495085277.db2.gz XXIQBPVSPRZTAE-MRXNPFEDSA-N 1 3 363.571 3.075 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119076968 495087159 /nfs/dbraw/zinc/08/71/59/495087159.db2.gz KEFJVEKDACRALQ-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000580440423 505760348 /nfs/dbraw/zinc/76/03/48/505760348.db2.gz WCVRHFBGCFLOIC-NRFANRHFSA-N 1 3 367.493 3.233 20 0 FGADHO CN(CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1)Cc1ccccc1 ZINC000128901148 495166019 /nfs/dbraw/zinc/16/60/19/495166019.db2.gz SEHQJUUUANPBQA-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000128959100 495174546 /nfs/dbraw/zinc/17/45/46/495174546.db2.gz RBXFNGWCSDTWBG-DYESRHJHSA-N 1 3 367.493 3.083 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000119686126 495218139 /nfs/dbraw/zinc/21/81/39/495218139.db2.gz SVQWQYDWLIZHRO-UHFFFAOYSA-N 1 3 370.497 3.436 20 0 FGADHO CC(C)[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103312128 495218534 /nfs/dbraw/zinc/21/85/34/495218534.db2.gz YRXPOYDKEQPVIL-VQTJNVASSA-N 1 3 364.578 3.059 20 0 FGADHO CC(C)Cn1ccc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc21 ZINC000120049135 495295907 /nfs/dbraw/zinc/29/59/07/495295907.db2.gz OUKVORLECQCPBZ-UHFFFAOYSA-N 1 3 373.545 3.254 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000113364806 495300035 /nfs/dbraw/zinc/30/00/35/495300035.db2.gz CIUGHQPAGCGQMV-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000113364806 495300039 /nfs/dbraw/zinc/30/00/39/495300039.db2.gz CIUGHQPAGCGQMV-OAQYLSRUSA-N 1 3 372.557 3.215 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130046887 495333363 /nfs/dbraw/zinc/33/33/63/495333363.db2.gz VVEUJTAAUVFTTC-UHFFFAOYSA-N 1 3 357.498 3.345 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083261 495335273 /nfs/dbraw/zinc/33/52/73/495335273.db2.gz LVMMHAKGRMHYQY-CTNGQTDRSA-N 1 3 374.573 3.271 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083261 495335278 /nfs/dbraw/zinc/33/52/78/495335278.db2.gz LVMMHAKGRMHYQY-CTNGQTDRSA-N 1 3 374.573 3.271 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000124774877 495341491 /nfs/dbraw/zinc/34/14/91/495341491.db2.gz OQEPUYJVIQASCV-KRWDZBQOSA-N 1 3 359.514 3.016 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000114162629 495351945 /nfs/dbraw/zinc/35/19/45/495351945.db2.gz AOOODGHQHFMADM-UHFFFAOYSA-N 1 3 357.498 3.490 20 0 FGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808364 495462701 /nfs/dbraw/zinc/46/27/01/495462701.db2.gz UNAKZGNMPHTEQC-OAHLLOKOSA-N 1 3 352.404 3.323 20 0 FGADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000125917492 495518261 /nfs/dbraw/zinc/51/82/61/495518261.db2.gz ODLDNMMEBKGQFL-WMLDXEAASA-N 1 3 355.548 3.075 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154266144 495561278 /nfs/dbraw/zinc/56/12/78/495561278.db2.gz VJEZWKSUBZTPMA-QGZVFWFLSA-N 1 3 353.963 3.494 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154410910 495608282 /nfs/dbraw/zinc/60/82/82/495608282.db2.gz QOXXCZZEPQCHER-OAHLLOKOSA-N 1 3 352.592 3.427 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1OC(F)F ZINC000154431838 495614121 /nfs/dbraw/zinc/61/41/21/495614121.db2.gz PDDYDEJJXYVNMC-CQSZACIVSA-N 1 3 359.436 3.105 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176365369 495622034 /nfs/dbraw/zinc/62/20/34/495622034.db2.gz SXMVSVMUUDGPRE-RTWAWAEBSA-N 1 3 370.541 3.051 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000158945752 495622206 /nfs/dbraw/zinc/62/22/06/495622206.db2.gz UHBOWKXNMUUFEF-MAUKXSAKSA-N 1 3 374.554 3.257 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000158963421 495625451 /nfs/dbraw/zinc/62/54/51/495625451.db2.gz HGQZOIDVSCZPMR-ICSRJNTNSA-N 1 3 364.530 3.134 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000158963421 495625455 /nfs/dbraw/zinc/62/54/55/495625455.db2.gz HGQZOIDVSCZPMR-ICSRJNTNSA-N 1 3 364.530 3.134 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000159115920 495662884 /nfs/dbraw/zinc/66/28/84/495662884.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000159115920 495662892 /nfs/dbraw/zinc/66/28/92/495662892.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 1 3 372.557 3.164 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000171039146 495698578 /nfs/dbraw/zinc/69/85/78/495698578.db2.gz LSFKVMSZZHQXON-NRFANRHFSA-N 1 3 372.557 3.339 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038132 495698656 /nfs/dbraw/zinc/69/86/56/495698656.db2.gz REBIIFBBOLAREY-QZTJIDSGSA-N 1 3 364.559 3.011 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858559 495722231 /nfs/dbraw/zinc/72/22/31/495722231.db2.gz GXPIOQBGIPUPAH-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858559 495722236 /nfs/dbraw/zinc/72/22/36/495722236.db2.gz GXPIOQBGIPUPAH-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CN(CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000171169687 495753165 /nfs/dbraw/zinc/75/31/65/495753165.db2.gz VXCWSDZMACRTLS-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000180170208 495891217 /nfs/dbraw/zinc/89/12/17/495891217.db2.gz QATBLEYKBBPXBP-SEJPIABJSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000180170208 495891218 /nfs/dbraw/zinc/89/12/18/495891218.db2.gz QATBLEYKBBPXBP-SEJPIABJSA-N 1 3 355.526 3.174 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276803 495901157 /nfs/dbraw/zinc/90/11/57/495901157.db2.gz CQUVQGRASXOCIK-NQIIRXRSSA-N 1 3 373.541 3.040 20 0 FGADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186340070 495955618 /nfs/dbraw/zinc/95/56/18/495955618.db2.gz ZHKDXVSHISCUIE-JOCHJYFZSA-N 1 3 365.521 3.485 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)cc1 ZINC000177206704 495976763 /nfs/dbraw/zinc/97/67/63/495976763.db2.gz UJACSLLHTSUDBD-AWEZNQCLSA-N 1 3 354.336 3.126 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CCCCCC3)CC2)CC1 ZINC000183559347 496030376 /nfs/dbraw/zinc/03/03/76/496030376.db2.gz DPPWWDVTJCSLSA-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO COc1ccc([C@H](NCCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180711974 496114044 /nfs/dbraw/zinc/11/40/44/496114044.db2.gz VFNCMQSCTULCAZ-HSZRJFAPSA-N 1 3 367.537 3.400 20 0 FGADHO CCC1(CC)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000186859197 496183800 /nfs/dbraw/zinc/18/38/00/496183800.db2.gz XEHYDYXYSOSFBR-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000177842984 496219608 /nfs/dbraw/zinc/21/96/08/496219608.db2.gz SHLLUSFXJUAENP-ICSRJNTNSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000177842984 496219611 /nfs/dbraw/zinc/21/96/11/496219611.db2.gz SHLLUSFXJUAENP-ICSRJNTNSA-N 1 3 360.546 3.053 20 0 FGADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152692339 496229035 /nfs/dbraw/zinc/22/90/35/496229035.db2.gz UEYWLUGZXFYOER-UHFFFAOYSA-N 1 3 354.498 3.393 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000177867243 496231542 /nfs/dbraw/zinc/23/15/42/496231542.db2.gz PRQVPWASUYXNPC-FPOVZHCZSA-N 1 3 372.557 3.115 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000177867243 496231544 /nfs/dbraw/zinc/23/15/44/496231544.db2.gz PRQVPWASUYXNPC-FPOVZHCZSA-N 1 3 372.557 3.115 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000172431638 496295448 /nfs/dbraw/zinc/29/54/48/496295448.db2.gz YKFAHFKGSAUGNT-UHFFFAOYSA-N 1 3 371.569 3.235 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000162875346 496426934 /nfs/dbraw/zinc/42/69/34/496426934.db2.gz KAZLIBACXNTVAT-CGSFFBPTSA-N 1 3 366.571 3.357 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000187465240 496453189 /nfs/dbraw/zinc/45/31/89/496453189.db2.gz SHCDQSXGDAOGNW-NRFANRHFSA-N 1 3 357.542 3.134 20 0 FGADHO CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178485155 496471580 /nfs/dbraw/zinc/47/15/80/496471580.db2.gz YOYWZTALAFZASX-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO CCC1(CC)[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000181708034 496511136 /nfs/dbraw/zinc/51/11/36/496511136.db2.gz WWJJSTAUUZSQLC-RTWAWAEBSA-N 1 3 360.542 3.327 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000157629626 496519006 /nfs/dbraw/zinc/51/90/06/496519006.db2.gz AUGOERGXFONBQH-OAQYLSRUSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](N)c1ccccc1 ZINC000178688563 496542278 /nfs/dbraw/zinc/54/22/78/496542278.db2.gz DGDIAPSDFQPGGB-PGRDOPGGSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000175785571 496544901 /nfs/dbraw/zinc/54/49/01/496544901.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 1 3 357.542 3.228 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000175785571 496544904 /nfs/dbraw/zinc/54/49/04/496544904.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 1 3 357.542 3.228 20 0 FGADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000163889519 496567029 /nfs/dbraw/zinc/56/70/29/496567029.db2.gz FZUFILKETBSLOY-RBUKOAKNSA-N 1 3 357.542 3.315 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCC2 ZINC000181860893 496575439 /nfs/dbraw/zinc/57/54/39/496575439.db2.gz ULNUZORTSUNDBW-NHCUHLMSSA-N 1 3 358.526 3.081 20 0 FGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000175906347 496596623 /nfs/dbraw/zinc/59/66/23/496596623.db2.gz MMVMAFDLRFUKTO-IBGZPJMESA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H](C)C1 ZINC000187960030 496631571 /nfs/dbraw/zinc/63/15/71/496631571.db2.gz OZTGZOCRVXKYMN-OALUTQOASA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H](C)C1 ZINC000187960030 496631577 /nfs/dbraw/zinc/63/15/77/496631577.db2.gz OZTGZOCRVXKYMN-OALUTQOASA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000185036736 496631866 /nfs/dbraw/zinc/63/18/66/496631866.db2.gz NIOSSLSWWWYDFG-LJQANCHMSA-N 1 3 366.571 3.259 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444875 496686525 /nfs/dbraw/zinc/68/65/25/496686525.db2.gz AMLNBXHDIKTKSJ-YFVAEKQCSA-N 1 3 370.541 3.220 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444875 496686530 /nfs/dbraw/zinc/68/65/30/496686530.db2.gz AMLNBXHDIKTKSJ-YFVAEKQCSA-N 1 3 370.541 3.220 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284862 496726057 /nfs/dbraw/zinc/72/60/57/496726057.db2.gz LNVFIKNLDIJZCF-AABGKKOBSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000246988207 496744668 /nfs/dbraw/zinc/74/46/68/496744668.db2.gz KBGVYCRPIOJRKW-MQSCRBSSSA-N 1 3 372.601 3.216 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247019947 496754066 /nfs/dbraw/zinc/75/40/66/496754066.db2.gz MUVQGGHLJLQJAA-ZACQAIPSSA-N 1 3 365.493 3.022 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000188417676 496783651 /nfs/dbraw/zinc/78/36/51/496783651.db2.gz AORQICHFYYBGPM-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CNCc2nc(C)ccc2O)cc1OC ZINC000264026761 496793620 /nfs/dbraw/zinc/79/36/20/496793620.db2.gz BROVDXWIPNOENA-UHFFFAOYSA-N 1 3 373.497 3.115 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940888 496829108 /nfs/dbraw/zinc/82/91/08/496829108.db2.gz SSDPYNHKWGCNDX-XMSQKQJNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940888 496829113 /nfs/dbraw/zinc/82/91/13/496829113.db2.gz SSDPYNHKWGCNDX-XMSQKQJNSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134418 496830516 /nfs/dbraw/zinc/83/05/16/496830516.db2.gz PEICGTNEGZFYNA-IEBWSBKVSA-N 1 3 372.534 3.263 20 0 FGADHO CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247427696 496856943 /nfs/dbraw/zinc/85/69/43/496856943.db2.gz VUHSUMJQWWJYQH-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247427705 496857438 /nfs/dbraw/zinc/85/74/38/496857438.db2.gz VUHSUMJQWWJYQH-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247473676 496867225 /nfs/dbraw/zinc/86/72/25/496867225.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247473676 496867229 /nfs/dbraw/zinc/86/72/29/496867229.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195389046 496909747 /nfs/dbraw/zinc/90/97/47/496909747.db2.gz QCFFBGZHOFAYBB-NRFANRHFSA-N 1 3 355.526 3.032 20 0 FGADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803271 496913504 /nfs/dbraw/zinc/91/35/04/496913504.db2.gz VXIFXBVRGDOJMZ-SFHVURJKSA-N 1 3 365.537 3.020 20 0 FGADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195636023 496955957 /nfs/dbraw/zinc/95/59/57/496955957.db2.gz NKVGAFZQYVAJME-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195636023 496955963 /nfs/dbraw/zinc/95/59/63/496955963.db2.gz NKVGAFZQYVAJME-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4ccccc43)c2)C1 ZINC000248152076 496964337 /nfs/dbraw/zinc/96/43/37/496964337.db2.gz QWMXMSIPZKUMOS-IFMALSPDSA-N 1 3 363.505 3.161 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4ccccc43)c2)C1 ZINC000248152076 496964344 /nfs/dbraw/zinc/96/43/44/496964344.db2.gz QWMXMSIPZKUMOS-IFMALSPDSA-N 1 3 363.505 3.161 20 0 FGADHO O[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000569212896 505879346 /nfs/dbraw/zinc/87/93/46/505879346.db2.gz YYCNXKNWXVEVAL-GOTSBHOMSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@@H](CCc1ccccc1)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212896 505879351 /nfs/dbraw/zinc/87/93/51/505879351.db2.gz YYCNXKNWXVEVAL-GOTSBHOMSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@@H](CCc1ccccc1)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212896 505879356 /nfs/dbraw/zinc/87/93/56/505879356.db2.gz YYCNXKNWXVEVAL-GOTSBHOMSA-N 1 3 352.522 3.134 20 0 FGADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248645690 497070548 /nfs/dbraw/zinc/07/05/48/497070548.db2.gz GRZWYACZLACAFY-SRHPJPHMSA-N 1 3 356.510 3.218 20 0 FGADHO COc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352605 497083950 /nfs/dbraw/zinc/08/39/50/497083950.db2.gz AWOKRJVOIIRMND-IAGOWNOFSA-N 1 3 350.503 3.164 20 0 FGADHO COc1cc(C)c([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352605 497083954 /nfs/dbraw/zinc/08/39/54/497083954.db2.gz AWOKRJVOIIRMND-IAGOWNOFSA-N 1 3 350.503 3.164 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229710 505884579 /nfs/dbraw/zinc/88/45/79/505884579.db2.gz MZNQWZGDKCNKTL-CJNGLKHVSA-N 1 3 353.388 3.071 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)COCc1ccccc1Cl)N1CCCCC1 ZINC000569233009 505885750 /nfs/dbraw/zinc/88/57/50/505885750.db2.gz RWWZRIDDDVGKAQ-AEFFLSMTSA-N 1 3 354.922 3.072 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000192538236 497144026 /nfs/dbraw/zinc/14/40/26/497144026.db2.gz VTYZSSHHHNNWMM-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497153015 /nfs/dbraw/zinc/15/30/15/497153015.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 1 3 374.573 3.126 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497153020 /nfs/dbraw/zinc/15/30/20/497153020.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177552 497179064 /nfs/dbraw/zinc/17/90/64/497179064.db2.gz GBJLAPZGWMNJIG-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177552 497179067 /nfs/dbraw/zinc/17/90/67/497179067.db2.gz GBJLAPZGWMNJIG-ZFWWWQNUSA-N 1 3 373.310 3.476 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000192754913 497204566 /nfs/dbraw/zinc/20/45/66/497204566.db2.gz GDQBXDCUGCBYPC-UHFFFAOYSA-N 1 3 351.579 3.074 20 0 FGADHO CSCC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000237277057 497214245 /nfs/dbraw/zinc/21/42/45/497214245.db2.gz LKYDGFHNAMITBT-HXUWFJFHSA-N 1 3 371.550 3.112 20 0 FGADHO C[C@@H](CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237296789 497216493 /nfs/dbraw/zinc/21/64/93/497216493.db2.gz ISZUQKCLBIHTRT-GHTZIAJQSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237455503 497239718 /nfs/dbraw/zinc/23/97/18/497239718.db2.gz GGUIHWISNRCZDY-LGYWMIHWSA-N 1 3 355.526 3.249 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000574968594 505893587 /nfs/dbraw/zinc/89/35/87/505893587.db2.gz CVSHWSLNFHKOQR-DLBZAZTESA-N 1 3 366.575 3.305 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000574968594 505893590 /nfs/dbraw/zinc/89/35/90/505893590.db2.gz CVSHWSLNFHKOQR-DLBZAZTESA-N 1 3 366.575 3.305 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000249747304 497241991 /nfs/dbraw/zinc/24/19/91/497241991.db2.gz OMSPRCKNDICELG-QRVBRYPASA-N 1 3 357.542 3.337 20 0 FGADHO Cc1ccc(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237583499 497259139 /nfs/dbraw/zinc/25/91/39/497259139.db2.gz GMTXIJLOBSLNIJ-JXFKEZNVSA-N 1 3 355.482 3.210 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237938163 497317038 /nfs/dbraw/zinc/31/70/38/497317038.db2.gz OIBKEOMRGJSEPK-ZWKOTPCHSA-N 1 3 357.523 3.481 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558919 497383034 /nfs/dbraw/zinc/38/30/34/497383034.db2.gz WLVTWIVGHCHECA-OKZBNKHCSA-N 1 3 350.503 3.330 20 0 FGADHO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000193474491 497389849 /nfs/dbraw/zinc/38/98/49/497389849.db2.gz NTCUTDUUVMJYIV-MRXNPFEDSA-N 1 3 364.921 3.262 20 0 FGADHO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000193474491 497389854 /nfs/dbraw/zinc/38/98/54/497389854.db2.gz NTCUTDUUVMJYIV-MRXNPFEDSA-N 1 3 364.921 3.262 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405200 /nfs/dbraw/zinc/40/52/00/497405200.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405206 /nfs/dbraw/zinc/40/52/06/497405206.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405210 /nfs/dbraw/zinc/40/52/10/497405210.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405214 /nfs/dbraw/zinc/40/52/14/497405214.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709836 497410419 /nfs/dbraw/zinc/41/04/19/497410419.db2.gz UNOIDRIYRVZBHI-GHTZIAJQSA-N 1 3 370.541 3.271 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000275709836 497410424 /nfs/dbraw/zinc/41/04/24/497410424.db2.gz UNOIDRIYRVZBHI-GHTZIAJQSA-N 1 3 370.541 3.271 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245552678 497452904 /nfs/dbraw/zinc/45/29/04/497452904.db2.gz QPGYQYWBZVVJEK-CSNJMZFVSA-N 1 3 351.535 3.238 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928595 497477694 /nfs/dbraw/zinc/47/76/94/497477694.db2.gz SLJXGHOEALIYDJ-TYNCELHUSA-N 1 3 356.297 3.381 20 0 FGADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000262007656 497490941 /nfs/dbraw/zinc/49/09/41/497490941.db2.gz SBOBLAGCZPRFLC-NRFANRHFSA-N 1 3 373.541 3.070 20 0 FGADHO Cc1ccc([O-])c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000267169038 497495846 /nfs/dbraw/zinc/49/58/46/497495846.db2.gz HRSSEZWBHSJYEK-UHFFFAOYSA-N 1 3 369.509 3.257 20 0 FGADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193982072 497538646 /nfs/dbraw/zinc/53/86/46/497538646.db2.gz AEYUJFKJALJQIK-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000245882370 497559454 /nfs/dbraw/zinc/55/94/54/497559454.db2.gz IIAPHRFXRSLOIY-NHCUHLMSSA-N 1 3 372.557 3.195 20 0 FGADHO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000272309995 497593601 /nfs/dbraw/zinc/59/36/01/497593601.db2.gz OUABZDUXBKNRPA-VQTJNVASSA-N 1 3 374.525 3.109 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132704 505917196 /nfs/dbraw/zinc/91/71/96/505917196.db2.gz MMNKSXQFBSXUPF-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132704 505917197 /nfs/dbraw/zinc/91/71/97/505917197.db2.gz MMNKSXQFBSXUPF-XMSQKQJNSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334209 505917539 /nfs/dbraw/zinc/91/75/39/505917539.db2.gz CZKOWRIZTIJJFT-CNNODRBYSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334209 505917544 /nfs/dbraw/zinc/91/75/44/505917544.db2.gz CZKOWRIZTIJJFT-CNNODRBYSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000578334209 505917546 /nfs/dbraw/zinc/91/75/46/505917546.db2.gz CZKOWRIZTIJJFT-CNNODRBYSA-N 1 3 357.542 3.134 20 0 FGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390039 497615830 /nfs/dbraw/zinc/61/58/30/497615830.db2.gz ISKBOIWIFNERMF-TZIWHRDSSA-N 1 3 370.541 3.273 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]Cc3cccc(OC)n3)CC2)cc1 ZINC000190905634 497640212 /nfs/dbraw/zinc/64/02/12/497640212.db2.gz LVDCNUAVTXQNRP-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268049212 497667998 /nfs/dbraw/zinc/66/79/98/497667998.db2.gz ZJRDHVPKURTFOF-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268049212 497668003 /nfs/dbraw/zinc/66/80/03/497668003.db2.gz ZJRDHVPKURTFOF-SFHVURJKSA-N 1 3 364.534 3.007 20 0 FGADHO CC(C)COC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000575117026 505924519 /nfs/dbraw/zinc/92/45/19/505924519.db2.gz WYVABKJZTXFHEL-IBGZPJMESA-N 1 3 368.949 3.175 20 0 FGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1F ZINC000246383570 497716166 /nfs/dbraw/zinc/71/61/66/497716166.db2.gz KGAXXMWJYNOUGM-GDIGMMSISA-N 1 3 350.478 3.253 20 0 FGADHO COc1ccc(OC(F)F)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000569396735 505924932 /nfs/dbraw/zinc/92/49/32/505924932.db2.gz KWOKZTZKKRSFOE-UHFFFAOYSA-N 1 3 360.470 3.214 20 0 FGADHO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1Cl ZINC000277046020 497724771 /nfs/dbraw/zinc/72/47/71/497724771.db2.gz CCEMYGMPFRUOTE-HNNXBMFYSA-N 1 3 353.894 3.093 20 0 FGADHO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1Cl ZINC000277046020 497724775 /nfs/dbraw/zinc/72/47/75/497724775.db2.gz CCEMYGMPFRUOTE-HNNXBMFYSA-N 1 3 353.894 3.093 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)N1Cc1cccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159054 497728504 /nfs/dbraw/zinc/72/85/04/497728504.db2.gz KYCGOZJJIXMIQK-FJSYBUAGSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1cccc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159054 497728509 /nfs/dbraw/zinc/72/85/09/497728509.db2.gz KYCGOZJJIXMIQK-FJSYBUAGSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1cccc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159054 497728514 /nfs/dbraw/zinc/72/85/14/497728514.db2.gz KYCGOZJJIXMIQK-FJSYBUAGSA-N 1 3 360.542 3.154 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263930 497745343 /nfs/dbraw/zinc/74/53/43/497745343.db2.gz RHTMMHHYOYBKMY-RZUBCFFCSA-N 1 3 357.542 3.265 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](N)c1ccccc1 ZINC000263286078 497750208 /nfs/dbraw/zinc/75/02/08/497750208.db2.gz UOYRAHYRBUROBF-DYXWJJEUSA-N 1 3 357.542 3.293 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246489064 497750743 /nfs/dbraw/zinc/75/07/43/497750743.db2.gz WCEYNTHKPFERNX-RCCFBDPRSA-N 1 3 352.567 3.011 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246489064 497750747 /nfs/dbraw/zinc/75/07/47/497750747.db2.gz WCEYNTHKPFERNX-RCCFBDPRSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246559127 497774205 /nfs/dbraw/zinc/77/42/05/497774205.db2.gz ZBDGJOLBJQTWGL-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246559127 497774210 /nfs/dbraw/zinc/77/42/10/497774210.db2.gz ZBDGJOLBJQTWGL-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246567069 497777254 /nfs/dbraw/zinc/77/72/54/497777254.db2.gz XNXJQTMHZPCMCP-ZYSHUDEJSA-N 1 3 362.514 3.122 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000246575079 497779586 /nfs/dbraw/zinc/77/95/86/497779586.db2.gz VIQOEPZTUYJIFZ-XMSQKQJNSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000246575079 497779589 /nfs/dbraw/zinc/77/95/89/497779589.db2.gz VIQOEPZTUYJIFZ-XMSQKQJNSA-N 1 3 365.521 3.420 20 0 FGADHO Cc1c(F)cccc1NC(=O)CCNCc1ccccc1OCC[NH+](C)C ZINC000575174654 505937112 /nfs/dbraw/zinc/93/71/12/505937112.db2.gz NAZXGYJXZKKECM-UHFFFAOYSA-N 1 3 373.472 3.193 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000364263366 497867095 /nfs/dbraw/zinc/86/70/95/497867095.db2.gz WBTISYQKLYEKBO-FQEVSTJZSA-N 1 3 363.590 3.218 20 0 FGADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443428 505941266 /nfs/dbraw/zinc/94/12/66/505941266.db2.gz UIXBPAAZOGEYMC-NRFANRHFSA-N 1 3 365.521 3.486 20 0 FGADHO NCC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443428 505941270 /nfs/dbraw/zinc/94/12/70/505941270.db2.gz UIXBPAAZOGEYMC-NRFANRHFSA-N 1 3 365.521 3.486 20 0 FGADHO NCC[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443428 505941274 /nfs/dbraw/zinc/94/12/74/505941274.db2.gz UIXBPAAZOGEYMC-NRFANRHFSA-N 1 3 365.521 3.486 20 0 FGADHO CCc1cccc(NC(=[NH2+])NC[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000364393871 497936607 /nfs/dbraw/zinc/93/66/07/497936607.db2.gz UQJICVDSPYJDGG-LJQANCHMSA-N 1 3 351.498 3.492 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487759 498063809 /nfs/dbraw/zinc/06/38/09/498063809.db2.gz PKSQSEMZLGSIRZ-MJGOQNOKSA-N 1 3 371.912 3.469 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487759 498063813 /nfs/dbraw/zinc/06/38/13/498063813.db2.gz PKSQSEMZLGSIRZ-MJGOQNOKSA-N 1 3 371.912 3.469 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CN3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634070 505986217 /nfs/dbraw/zinc/98/62/17/505986217.db2.gz JNBCVCFRRIDFKY-JZXOWHBKSA-N 1 3 363.571 3.210 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CN3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634070 505986222 /nfs/dbraw/zinc/98/62/22/505986222.db2.gz JNBCVCFRRIDFKY-JZXOWHBKSA-N 1 3 363.571 3.210 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652727 505989833 /nfs/dbraw/zinc/98/98/33/505989833.db2.gz VSVGIAKLTFASCA-KFWWJZLASA-N 1 3 369.431 3.354 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028775 498272589 /nfs/dbraw/zinc/27/25/89/498272589.db2.gz JAOVTHJKGFQEEA-MYDTUXCISA-N 1 3 372.553 3.054 20 0 FGADHO Fc1ccc(-n2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811129 506021681 /nfs/dbraw/zinc/02/16/81/506021681.db2.gz LSLWCROXENFFBA-SJORKVTESA-N 1 3 368.500 3.322 20 0 FGADHO Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)ccc1OCCN(C)C ZINC000572661846 506023781 /nfs/dbraw/zinc/02/37/81/506023781.db2.gz UIPIRDPHCUDMHQ-UHFFFAOYSA-N 1 3 369.509 3.292 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978540 498379229 /nfs/dbraw/zinc/37/92/29/498379229.db2.gz XSCVIMFWVTXIRP-JZXOWHBKSA-N 1 3 350.503 3.188 20 0 FGADHO CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000289984601 498381857 /nfs/dbraw/zinc/38/18/57/498381857.db2.gz YATSNUPKWJSSTL-KSEOMHKRSA-N 1 3 369.553 3.134 20 0 FGADHO COc1ccccc1OC[C@@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297359065 498419903 /nfs/dbraw/zinc/41/99/03/498419903.db2.gz FREGMSLADKKSPR-KRWDZBQOSA-N 1 3 355.482 3.364 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875209 506042219 /nfs/dbraw/zinc/04/22/19/506042219.db2.gz MTOKIUGZISLAHW-MJGOQNOKSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875209 506042220 /nfs/dbraw/zinc/04/22/20/506042220.db2.gz MTOKIUGZISLAHW-MJGOQNOKSA-N 1 3 363.571 3.211 20 0 FGADHO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290433240 498550190 /nfs/dbraw/zinc/55/01/90/498550190.db2.gz VFRXEKKSYGBZRD-VLXBDIDVSA-N 1 3 364.489 3.266 20 0 FGADHO O=C(NCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949677 498565148 /nfs/dbraw/zinc/56/51/48/498565148.db2.gz BNFKVYYSOIUFIW-PMACEKPBSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949677 498565163 /nfs/dbraw/zinc/56/51/63/498565163.db2.gz BNFKVYYSOIUFIW-PMACEKPBSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)OCc1ccccc1 ZINC000286949677 498565154 /nfs/dbraw/zinc/56/51/54/498565154.db2.gz BNFKVYYSOIUFIW-PMACEKPBSA-N 1 3 359.514 3.300 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732903 506055787 /nfs/dbraw/zinc/05/57/87/506055787.db2.gz UZXOEAPGJVGFDE-GOSISDBHSA-N 1 3 367.484 3.286 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732903 506055791 /nfs/dbraw/zinc/05/57/91/506055791.db2.gz UZXOEAPGJVGFDE-GOSISDBHSA-N 1 3 367.484 3.286 20 0 FGADHO Clc1ccc(-c2noc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000569957943 506056508 /nfs/dbraw/zinc/05/65/08/506056508.db2.gz XHTCURNBQFGKPI-ZACQAIPSSA-N 1 3 360.889 3.443 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827003 498656689 /nfs/dbraw/zinc/65/66/89/498656689.db2.gz RJHJCQYPBJTOPC-BURNTYAHSA-N 1 3 356.510 3.457 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827003 498656697 /nfs/dbraw/zinc/65/66/97/498656697.db2.gz RJHJCQYPBJTOPC-BURNTYAHSA-N 1 3 356.510 3.457 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240092 498657221 /nfs/dbraw/zinc/65/72/21/498657221.db2.gz IZULLISGXOMYNB-GHTZIAJQSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240092 498657226 /nfs/dbraw/zinc/65/72/26/498657226.db2.gz IZULLISGXOMYNB-GHTZIAJQSA-N 1 3 372.557 3.242 20 0 FGADHO CCOC(=O)[C@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298181531 498687950 /nfs/dbraw/zinc/68/79/50/498687950.db2.gz VNYMXHJLGSKIIK-JOCHJYFZSA-N 1 3 367.493 3.161 20 0 FGADHO CCc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312737014 498763931 /nfs/dbraw/zinc/76/39/31/498763931.db2.gz XEDVMHRWKDIIEY-YADHBBJMSA-N 1 3 368.521 3.100 20 0 FGADHO CCc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737014 498763935 /nfs/dbraw/zinc/76/39/35/498763935.db2.gz XEDVMHRWKDIIEY-YADHBBJMSA-N 1 3 368.521 3.100 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090661 /nfs/dbraw/zinc/09/06/61/506090661.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 1 3 363.571 3.211 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090666 /nfs/dbraw/zinc/09/06/66/506090666.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 1 3 363.571 3.211 20 0 FGADHO OC1(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692512 498839288 /nfs/dbraw/zinc/83/92/88/498839288.db2.gz WTLMVABSGNTKKF-YPAWHYETSA-N 1 3 372.553 3.198 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963267 506101019 /nfs/dbraw/zinc/10/10/19/506101019.db2.gz SWKCLSYDQYAOQP-YZGWKJHDSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H]2COc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000581963267 506101020 /nfs/dbraw/zinc/10/10/20/506101020.db2.gz SWKCLSYDQYAOQP-YZGWKJHDSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287828653 498876957 /nfs/dbraw/zinc/87/69/57/498876957.db2.gz VNURHSUGLZYZSX-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000291422623 498934352 /nfs/dbraw/zinc/93/43/52/498934352.db2.gz ICWXHUFJQAKCOL-VQTJNVASSA-N 1 3 359.420 3.448 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CNCC4)CC2)CC1 ZINC000333244260 498950941 /nfs/dbraw/zinc/95/09/41/498950941.db2.gz BMKJAUJQPZXJAM-UHFFFAOYSA-N 1 3 370.541 3.497 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3cc(F)ncc3F)CC2)cc1 ZINC000295299727 498970912 /nfs/dbraw/zinc/97/09/12/498970912.db2.gz XNXJYLZKLHLPQI-UHFFFAOYSA-N 1 3 361.436 3.370 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000284451456 499109284 /nfs/dbraw/zinc/10/92/84/499109284.db2.gz UJERVRGIKLZGJE-HBMCJLEFSA-N 1 3 358.526 3.453 20 0 FGADHO CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CCN(C)C[C@H]3C)CC2)CC1 ZINC000364128209 499120982 /nfs/dbraw/zinc/12/09/82/499120982.db2.gz DATUZIIKXQTYMO-YTQPIUFNSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127700 499152125 /nfs/dbraw/zinc/15/21/25/499152125.db2.gz VCLPBKVCUMXWRD-YXYSEUPNSA-N 1 3 364.574 3.187 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)C1 ZINC000367127700 499152126 /nfs/dbraw/zinc/15/21/26/499152126.db2.gz VCLPBKVCUMXWRD-YXYSEUPNSA-N 1 3 364.574 3.187 20 0 FGADHO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199372 499160646 /nfs/dbraw/zinc/16/06/46/499160646.db2.gz JJSBDNGCNVMEGZ-ZWKOTPCHSA-N 1 3 373.541 3.069 20 0 FGADHO CCN(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000576346449 506136506 /nfs/dbraw/zinc/13/65/06/506136506.db2.gz OXAINAPSUHOVQD-QFBILLFUSA-N 1 3 361.505 3.057 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@@H](CN3CCCCC3)C2)C1 ZINC000370286993 499205910 /nfs/dbraw/zinc/20/59/10/499205910.db2.gz AVHDUTNRYBGRSZ-SFTDATJTSA-N 1 3 369.553 3.347 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@@H](CN3CCCCC3)C2)C1 ZINC000370286993 499205911 /nfs/dbraw/zinc/20/59/11/499205911.db2.gz AVHDUTNRYBGRSZ-SFTDATJTSA-N 1 3 369.553 3.347 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566062 499213169 /nfs/dbraw/zinc/21/31/69/499213169.db2.gz RMYHSYUCJSNJCR-MYDTUXCISA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566062 499213170 /nfs/dbraw/zinc/21/31/70/499213170.db2.gz RMYHSYUCJSNJCR-MYDTUXCISA-N 1 3 365.521 3.048 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367566062 499213172 /nfs/dbraw/zinc/21/31/72/499213172.db2.gz RMYHSYUCJSNJCR-MYDTUXCISA-N 1 3 365.521 3.048 20 0 FGADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637557 499238373 /nfs/dbraw/zinc/23/83/73/499238373.db2.gz UWEPHPWSJCSVGW-VQIMIIECSA-N 1 3 367.484 3.497 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000368100538 499264333 /nfs/dbraw/zinc/26/43/33/499264333.db2.gz HTOVSMOKMIGGOL-YJBOKZPZSA-N 1 3 356.514 3.468 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368493306 499301457 /nfs/dbraw/zinc/30/14/57/499301457.db2.gz IBJUJKNBHODKQL-UYAOXDASSA-N 1 3 352.526 3.314 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581702 499309970 /nfs/dbraw/zinc/30/99/70/499309970.db2.gz CFWXRDJXMOEWPJ-MAUKXSAKSA-N 1 3 372.431 3.359 20 0 FGADHO Cn1cc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000371426881 499325442 /nfs/dbraw/zinc/32/54/42/499325442.db2.gz RLFAPPVOGGAGJF-UHFFFAOYSA-N 1 3 368.525 3.162 20 0 FGADHO Cn1cc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000371426881 499325444 /nfs/dbraw/zinc/32/54/44/499325444.db2.gz RLFAPPVOGGAGJF-UHFFFAOYSA-N 1 3 368.525 3.162 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371983851 499386807 /nfs/dbraw/zinc/38/68/07/499386807.db2.gz KFKXQDYSVCITEH-IOMROCGXSA-N 1 3 373.541 3.404 20 0 FGADHO CCCC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371983851 499386809 /nfs/dbraw/zinc/38/68/09/499386809.db2.gz KFKXQDYSVCITEH-IOMROCGXSA-N 1 3 373.541 3.404 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000371986395 499386984 /nfs/dbraw/zinc/38/69/84/499386984.db2.gz ZMGVQLVVQOOWEY-DUXKGJEZSA-N 1 3 373.541 3.260 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000371986395 499386985 /nfs/dbraw/zinc/38/69/85/499386985.db2.gz ZMGVQLVVQOOWEY-DUXKGJEZSA-N 1 3 373.541 3.260 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000570344790 506146098 /nfs/dbraw/zinc/14/60/98/506146098.db2.gz JDTOEWILEVNKTM-UHFFFAOYSA-N 1 3 362.449 3.043 20 0 FGADHO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000373516088 499474462 /nfs/dbraw/zinc/47/44/62/499474462.db2.gz NKTIDKITUSSZFK-INIZCTEOSA-N 1 3 351.535 3.240 20 0 FGADHO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@H](c1ccccc1)C1CC1 ZINC000378431812 499516145 /nfs/dbraw/zinc/51/61/45/499516145.db2.gz OUJHPASBIKXHNQ-OAQYLSRUSA-N 1 3 367.541 3.111 20 0 FGADHO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@H](c1ccccc1)C1CC1 ZINC000378431812 499516146 /nfs/dbraw/zinc/51/61/46/499516146.db2.gz OUJHPASBIKXHNQ-OAQYLSRUSA-N 1 3 367.541 3.111 20 0 FGADHO CN1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H]1c1ccccc1 ZINC000375518004 499527748 /nfs/dbraw/zinc/52/77/48/499527748.db2.gz DLMXYNNIHNGWER-IFMALSPDSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000378568170 499532608 /nfs/dbraw/zinc/53/26/08/499532608.db2.gz JPTBJWKXWJLKLR-IAGOWNOFSA-N 1 3 359.514 3.127 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCc3ccccc3OC)CC2)CC1 ZINC000378588188 499535008 /nfs/dbraw/zinc/53/50/08/499535008.db2.gz BQAVCYPFHYMQJT-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592918 499535894 /nfs/dbraw/zinc/53/58/94/499535894.db2.gz VGJPDRORYAKMOI-FQEVSTJZSA-N 1 3 368.569 3.384 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3cn(C)c4ccccc34)C2)CC1 ZINC000375592918 499535896 /nfs/dbraw/zinc/53/58/96/499535896.db2.gz VGJPDRORYAKMOI-FQEVSTJZSA-N 1 3 368.569 3.384 20 0 FGADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CCCCC1 ZINC000382724666 499546129 /nfs/dbraw/zinc/54/61/29/499546129.db2.gz RCNGBJKGQMIDAK-NHCUHLMSSA-N 1 3 357.542 3.265 20 0 FGADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CCCCC1 ZINC000382724666 499546130 /nfs/dbraw/zinc/54/61/30/499546130.db2.gz RCNGBJKGQMIDAK-NHCUHLMSSA-N 1 3 357.542 3.265 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845318 499553156 /nfs/dbraw/zinc/55/31/56/499553156.db2.gz NEKWVQHRFYZBFZ-DUXKGJEZSA-N 1 3 351.494 3.103 20 0 FGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586233 499554630 /nfs/dbraw/zinc/55/46/30/499554630.db2.gz FOMNDEZJUVGAIO-STZQEDGTSA-N 1 3 351.494 3.012 20 0 FGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(I)cc1 ZINC000392298562 499558616 /nfs/dbraw/zinc/55/86/16/499558616.db2.gz XRSDNIREPPYBCB-LBPRGKRZSA-N 1 3 356.251 3.204 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397959358 499565113 /nfs/dbraw/zinc/56/51/13/499565113.db2.gz DCWQVHBKICWDCE-FCEUIQTBSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397959358 499565114 /nfs/dbraw/zinc/56/51/14/499565114.db2.gz DCWQVHBKICWDCE-FCEUIQTBSA-N 1 3 368.521 3.235 20 0 FGADHO CCCOc1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000582174762 506151459 /nfs/dbraw/zinc/15/14/59/506151459.db2.gz XDYFGBCIKNTVLC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCOc1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000582174762 506151462 /nfs/dbraw/zinc/15/14/62/506151462.db2.gz XDYFGBCIKNTVLC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCOc1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000582174762 506151467 /nfs/dbraw/zinc/15/14/67/506151467.db2.gz XDYFGBCIKNTVLC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN3CCCCC3)cc2)C1 ZINC000410366274 499657841 /nfs/dbraw/zinc/65/78/41/499657841.db2.gz GTOITMBXSNKISM-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCN3CCCCC3)cc2)C1 ZINC000410366274 499657842 /nfs/dbraw/zinc/65/78/42/499657842.db2.gz GTOITMBXSNKISM-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)CC2)CC1 ZINC000377127164 499664461 /nfs/dbraw/zinc/66/44/61/499664461.db2.gz LZAGHTYODVPIHW-DZFGPLHGSA-N 1 3 361.574 3.268 20 0 FGADHO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410104 499736375 /nfs/dbraw/zinc/73/63/75/499736375.db2.gz CIMHSECIHBRJES-LEWJYISDSA-N 1 3 355.526 3.163 20 0 FGADHO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(CN3CCCCC3)c2)CN1 ZINC000411410104 499736378 /nfs/dbraw/zinc/73/63/78/499736378.db2.gz CIMHSECIHBRJES-LEWJYISDSA-N 1 3 355.526 3.163 20 0 FGADHO CN1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899699 499746509 /nfs/dbraw/zinc/74/65/09/499746509.db2.gz FBMMINRZUIZILJ-WMZOPIPTSA-N 1 3 361.917 3.077 20 0 FGADHO CN1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899696 499746519 /nfs/dbraw/zinc/74/65/19/499746519.db2.gz FBMMINRZUIZILJ-SJLPKXTDSA-N 1 3 361.917 3.077 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747237 /nfs/dbraw/zinc/74/72/37/499747237.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 1 3 357.542 3.401 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747239 /nfs/dbraw/zinc/74/72/39/499747239.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 1 3 357.542 3.401 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411527363 499751422 /nfs/dbraw/zinc/75/14/22/499751422.db2.gz FVXUHXGVZVVYKM-LMVRJCEZSA-N 1 3 357.542 3.134 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1nc2ccccc2c(=O)[nH]1 ZINC000411547390 499753250 /nfs/dbraw/zinc/75/32/50/499753250.db2.gz CEOQZMQZXHYLTP-SJLPKXTDSA-N 1 3 356.514 3.368 20 0 FGADHO COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000414173542 499765429 /nfs/dbraw/zinc/76/54/29/499765429.db2.gz FUJWWUKDXCXMOI-APWZRJJASA-N 1 3 354.494 3.454 20 0 FGADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000414173546 499765559 /nfs/dbraw/zinc/76/55/59/499765559.db2.gz FUJWWUKDXCXMOI-QFBILLFUSA-N 1 3 354.494 3.454 20 0 FGADHO CC(C)CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000414179281 499766159 /nfs/dbraw/zinc/76/61/59/499766159.db2.gz AGBRJCVPVKOLSN-LJQANCHMSA-N 1 3 353.595 3.224 20 0 FGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414181637 499766251 /nfs/dbraw/zinc/76/62/51/499766251.db2.gz CFGGJEIWVOIKQH-FCHUYYIVSA-N 1 3 371.569 3.017 20 0 FGADHO CN1CCO[C@@H]([C@H](NCC[C@H]2CCC[N@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199369 499768106 /nfs/dbraw/zinc/76/81/06/499768106.db2.gz WUPXERYPSHHHDV-NSISKUIASA-N 1 3 365.949 3.033 20 0 FGADHO CN1CCO[C@@H]([C@H](NCC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199369 499768108 /nfs/dbraw/zinc/76/81/08/499768108.db2.gz WUPXERYPSHHHDV-NSISKUIASA-N 1 3 365.949 3.033 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(C2CC2)c1 ZINC000414205167 499768412 /nfs/dbraw/zinc/76/84/12/499768412.db2.gz WZALXXHKZNPGRQ-GOSISDBHSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2sccc21 ZINC000414207188 499768545 /nfs/dbraw/zinc/76/85/45/499768545.db2.gz ZGUSXKSHCWIFKF-AEFFLSMTSA-N 1 3 363.571 3.073 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000414335002 499778590 /nfs/dbraw/zinc/77/85/90/499778590.db2.gz HBCDTJXIQHXTGB-RTWAWAEBSA-N 1 3 355.526 3.052 20 0 FGADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552836 499807823 /nfs/dbraw/zinc/80/78/23/499807823.db2.gz HXPONOWKQLMZFZ-DYESRHJHSA-N 1 3 369.553 3.466 20 0 FGADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414556170 499808259 /nfs/dbraw/zinc/80/82/59/499808259.db2.gz NTQHMINZIRIMFN-FXAWDEMLSA-N 1 3 357.542 3.300 20 0 FGADHO Cc1ccsc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414557182 499808706 /nfs/dbraw/zinc/80/87/06/499808706.db2.gz POBOCABIRMJMGF-UHFFFAOYSA-N 1 3 357.523 3.044 20 0 FGADHO COC(=O)[C@@H]1CSCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090036 499822370 /nfs/dbraw/zinc/82/23/70/499822370.db2.gz XQDJSRSIZZRILH-IBGZPJMESA-N 1 3 362.539 3.011 20 0 FGADHO COCCN(Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414753808 499826711 /nfs/dbraw/zinc/82/67/11/499826711.db2.gz FEQCWPNSPINWBW-STQMWFEESA-N 1 3 361.349 3.347 20 0 FGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412154605 499828656 /nfs/dbraw/zinc/82/86/56/499828656.db2.gz HSOXAUZLYYGREP-OAQYLSRUSA-N 1 3 369.553 3.476 20 0 FGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412154605 499828657 /nfs/dbraw/zinc/82/86/57/499828657.db2.gz HSOXAUZLYYGREP-OAQYLSRUSA-N 1 3 369.553 3.476 20 0 FGADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780315 499830484 /nfs/dbraw/zinc/83/04/84/499830484.db2.gz LIHGHHSCXSBPND-HUUCEWRRSA-N 1 3 353.304 3.279 20 0 FGADHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802800 499832948 /nfs/dbraw/zinc/83/29/48/499832948.db2.gz NEJLECKWFUZITO-OALUTQOASA-N 1 3 355.482 3.276 20 0 FGADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414808185 499833156 /nfs/dbraw/zinc/83/31/56/499833156.db2.gz RXTVTPRKNJBJKR-OCCSQVGLSA-N 1 3 357.292 3.073 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886223 499841729 /nfs/dbraw/zinc/84/17/29/499841729.db2.gz VPXHKGHEUUGAGM-ZRBLBEILSA-N 1 3 364.537 3.062 20 0 FGADHO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412292436 499841821 /nfs/dbraw/zinc/84/18/21/499841821.db2.gz MPVSXYNLOKPYSX-UHFFFAOYSA-N 1 3 355.526 3.277 20 0 FGADHO COCC1(CNCc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000414966396 499849747 /nfs/dbraw/zinc/84/97/47/499849747.db2.gz BSEKHTIMEBLFGL-UHFFFAOYSA-N 1 3 350.812 3.465 20 0 FGADHO Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1CNCCCO1 ZINC000415034861 499856657 /nfs/dbraw/zinc/85/66/57/499856657.db2.gz IHTFOSPHMJXXHF-IBGZPJMESA-N 1 3 360.448 3.087 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415070410 499860645 /nfs/dbraw/zinc/86/06/45/499860645.db2.gz UXTLLAMXLZPVRZ-WBMJQRKESA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415072084 499860934 /nfs/dbraw/zinc/86/09/34/499860934.db2.gz XOGDGKCMLTUMOP-WBMJQRKESA-N 1 3 373.419 3.409 20 0 FGADHO CCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119355 499865871 /nfs/dbraw/zinc/86/58/71/499865871.db2.gz FDXQHFIESRKZMV-ICSRJNTNSA-N 1 3 362.514 3.202 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)c1 ZINC000415939673 499931026 /nfs/dbraw/zinc/93/10/26/499931026.db2.gz CWODCVOTRWQWLF-UHFFFAOYSA-N 1 3 354.498 3.438 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415946559 499931915 /nfs/dbraw/zinc/93/19/15/499931915.db2.gz NSXPCEYLUKHDKK-UHFFFAOYSA-N 1 3 370.497 3.056 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000415950399 499932243 /nfs/dbraw/zinc/93/22/43/499932243.db2.gz DHAXJYAYLUOHEF-UHFFFAOYSA-N 1 3 362.493 3.057 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415956225 499933435 /nfs/dbraw/zinc/93/34/35/499933435.db2.gz NNGLYWMKVZYQGO-UHFFFAOYSA-N 1 3 362.493 3.057 20 0 FGADHO NCc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000415968938 499935286 /nfs/dbraw/zinc/93/52/86/499935286.db2.gz JIROGEMMLIWHBU-MRXNPFEDSA-N 1 3 370.419 3.256 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)cc1 ZINC000415985775 499937672 /nfs/dbraw/zinc/93/76/72/499937672.db2.gz UBGBFUJJTYAUDV-UHFFFAOYSA-N 1 3 354.498 3.438 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201211 499979084 /nfs/dbraw/zinc/97/90/84/499979084.db2.gz RKAWZEHNVOGROD-CUWPLCDZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201211 499979088 /nfs/dbraw/zinc/97/90/88/499979088.db2.gz RKAWZEHNVOGROD-CUWPLCDZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570449167 506169631 /nfs/dbraw/zinc/16/96/31/506169631.db2.gz NHTRRGGJTWNOEK-IRXDYDNUSA-N 1 3 368.525 3.340 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC000421366740 500028910 /nfs/dbraw/zinc/02/89/10/500028910.db2.gz DHWBSCOHWSYGJJ-UHFFFAOYSA-N 1 3 359.558 3.304 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC000421366740 500028914 /nfs/dbraw/zinc/02/89/14/500028914.db2.gz DHWBSCOHWSYGJJ-UHFFFAOYSA-N 1 3 359.558 3.304 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000421369330 500029438 /nfs/dbraw/zinc/02/94/38/500029438.db2.gz HHNSMUIUSDDHNP-UHFFFAOYSA-N 1 3 371.525 3.433 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000421369330 500029442 /nfs/dbraw/zinc/02/94/42/500029442.db2.gz HHNSMUIUSDDHNP-UHFFFAOYSA-N 1 3 371.525 3.433 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000421369330 500029446 /nfs/dbraw/zinc/02/94/46/500029446.db2.gz HHNSMUIUSDDHNP-UHFFFAOYSA-N 1 3 371.525 3.433 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)cc1 ZINC000417356903 500047863 /nfs/dbraw/zinc/04/78/63/500047863.db2.gz QQAHKRGRQOJGOF-ZJOUEHCJSA-N 1 3 372.557 3.196 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCCC1 ZINC000416847235 500136734 /nfs/dbraw/zinc/13/67/34/500136734.db2.gz VBADFAVWCWBVKP-IRXDYDNUSA-N 1 3 364.559 3.092 20 0 FGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000429762967 500139498 /nfs/dbraw/zinc/13/94/98/500139498.db2.gz HEYKBVQCHAVYIY-QFUCXCTJSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414092152 500151102 /nfs/dbraw/zinc/15/11/02/500151102.db2.gz DXWPGAKUCGGBLK-SFHVURJKSA-N 1 3 368.525 3.197 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421822666 500159741 /nfs/dbraw/zinc/15/97/41/500159741.db2.gz XQMYAXVIHNLZHF-OXJNMPFZSA-N 1 3 351.510 3.147 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000416964846 500168086 /nfs/dbraw/zinc/16/80/86/500168086.db2.gz TZOJRAYCCXJOOC-UHFFFAOYSA-N 1 3 366.509 3.096 20 0 FGADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416968543 500169588 /nfs/dbraw/zinc/16/95/88/500169588.db2.gz YPJDTTLRUDZDJU-OAQYLSRUSA-N 1 3 368.525 3.198 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000417852488 500184498 /nfs/dbraw/zinc/18/44/98/500184498.db2.gz ZKTRXQMRZQHTIC-VNYTWHDVSA-N 1 3 372.557 3.104 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966885 500206112 /nfs/dbraw/zinc/20/61/12/500206112.db2.gz NQXPJQHXWDBARC-QZTJIDSGSA-N 1 3 370.541 3.027 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150819 500237452 /nfs/dbraw/zinc/23/74/52/500237452.db2.gz DKDSQTBDGMDLHR-VQTJNVASSA-N 1 3 372.557 3.104 20 0 FGADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000418150122 500237532 /nfs/dbraw/zinc/23/75/32/500237532.db2.gz CDXKXLLXAUJZOS-YLJYHZDGSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[C@H](c1ccccc1)N(C)C ZINC000418189801 500245932 /nfs/dbraw/zinc/24/59/32/500245932.db2.gz VSUILIYSEXQCRO-MJUUVYJYSA-N 1 3 372.557 3.242 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(CC)CC)cc1 ZINC000418222372 500251829 /nfs/dbraw/zinc/25/18/29/500251829.db2.gz WXEWWHXUEAAJDX-FPOVZHCZSA-N 1 3 360.546 3.012 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(CC)CC)cc1 ZINC000418222374 500251947 /nfs/dbraw/zinc/25/19/47/500251947.db2.gz WXEWWHXUEAAJDX-PZJWPPBQSA-N 1 3 360.546 3.012 20 0 FGADHO CN(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430604819 500261669 /nfs/dbraw/zinc/26/16/69/500261669.db2.gz RKYLAPBDHVXBKJ-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCNCC1 ZINC000430604819 500261671 /nfs/dbraw/zinc/26/16/71/500261671.db2.gz RKYLAPBDHVXBKJ-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCNCC1 ZINC000430604819 500261673 /nfs/dbraw/zinc/26/16/73/500261673.db2.gz RKYLAPBDHVXBKJ-UHFFFAOYSA-N 1 3 353.466 3.491 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000418351510 500267096 /nfs/dbraw/zinc/26/70/96/500267096.db2.gz LZHNXCRUARFVHW-HXUWFJFHSA-N 1 3 360.546 3.183 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319207 506186028 /nfs/dbraw/zinc/18/60/28/506186028.db2.gz JREHDZFXAJIVEK-AZUAARDMSA-N 1 3 360.546 3.067 20 0 FGADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418431389 500276199 /nfs/dbraw/zinc/27/61/99/500276199.db2.gz WZGCWQIYWNABDM-HKUYNNGSSA-N 1 3 360.546 3.371 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418471567 500280408 /nfs/dbraw/zinc/28/04/08/500280408.db2.gz RRSXSVJQNRTSJW-IRLDBZIGSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812188 500289537 /nfs/dbraw/zinc/28/95/37/500289537.db2.gz UWVZAEZGDKLESQ-NHAYFPRASA-N 1 3 363.571 3.273 20 0 FGADHO CN(C)Cc1cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746277 500293703 /nfs/dbraw/zinc/29/37/03/500293703.db2.gz NOZZTTJKSZXAAH-UNMCSNQZSA-N 1 3 369.484 3.233 20 0 FGADHO CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)Cc1cccc(Br)c1 ZINC000422761407 500295178 /nfs/dbraw/zinc/29/51/78/500295178.db2.gz RFIHJPXLAOUVTQ-LBTBCDHLSA-N 1 3 369.347 3.360 20 0 FGADHO Cc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797971 500299204 /nfs/dbraw/zinc/29/92/04/500299204.db2.gz PGQKTYCZTCCCSD-JXFKEZNVSA-N 1 3 360.523 3.205 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000422801120 500299726 /nfs/dbraw/zinc/29/97/26/500299726.db2.gz DQRYWANNBFRTQS-JHVJFLLYSA-N 1 3 358.457 3.247 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811110 500301301 /nfs/dbraw/zinc/30/13/01/500301301.db2.gz OKIPEBZQDUNAPE-MTNREXPMSA-N 1 3 365.521 3.091 20 0 FGADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430925804 500308001 /nfs/dbraw/zinc/30/80/01/500308001.db2.gz DWWYIRMUNVTFSH-DYESRHJHSA-N 1 3 373.541 3.198 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000573407242 506188370 /nfs/dbraw/zinc/18/83/70/506188370.db2.gz INORBAOQJZKIEN-KNQAVFIVSA-N 1 3 370.585 3.276 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935346 500309609 /nfs/dbraw/zinc/30/96/09/500309609.db2.gz POGLSMNVEYGOGL-IKGGRYGDSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935195 500309944 /nfs/dbraw/zinc/30/99/44/500309944.db2.gz PGRPCQCLUUGNRZ-ULQDDVLXSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418711628 500310609 /nfs/dbraw/zinc/31/06/09/500310609.db2.gz WNLHCNPYIWDKRC-QKLQHJQFSA-N 1 3 372.557 3.054 20 0 FGADHO C[C@@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961163 500313604 /nfs/dbraw/zinc/31/36/04/500313604.db2.gz MTCUBIRLQAPCOE-OXQOHEQNSA-N 1 3 353.466 3.477 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422901354 500313977 /nfs/dbraw/zinc/31/39/77/500313977.db2.gz BVBRREIYLJMUFM-PBHICJAKSA-N 1 3 374.916 3.440 20 0 FGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922855 500316688 /nfs/dbraw/zinc/31/66/88/500316688.db2.gz QYJNDMHLJPNNBR-OLZOCXBDSA-N 1 3 351.800 3.382 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920839 500317169 /nfs/dbraw/zinc/31/71/69/500317169.db2.gz MXDAEABLMNUKMB-MFKMUULPSA-N 1 3 351.800 3.110 20 0 FGADHO COc1ccccc1SC[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422940570 500320444 /nfs/dbraw/zinc/32/04/44/500320444.db2.gz HBRYPOXSICGMPO-ZJPYXAASSA-N 1 3 364.555 3.170 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943938 500321078 /nfs/dbraw/zinc/32/10/78/500321078.db2.gz LRQBWOBEULDYNP-VKJFTORMSA-N 1 3 366.347 3.253 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000426804080 500322632 /nfs/dbraw/zinc/32/26/32/500322632.db2.gz RSPILWNOWDUKQY-KDURUIRLSA-N 1 3 372.553 3.375 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)N1CCc2ccccc21 ZINC000422961331 500324054 /nfs/dbraw/zinc/32/40/54/500324054.db2.gz YWYPJXMWCADHDW-HSALFYBXSA-N 1 3 355.526 3.256 20 0 FGADHO OCCC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979094 500326865 /nfs/dbraw/zinc/32/68/65/500326865.db2.gz LGJKPDJKDLRMIQ-VWPQPMDRSA-N 1 3 352.478 3.346 20 0 FGADHO c1ccc2c(c1)CCC[C@@H]2OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422984192 500327025 /nfs/dbraw/zinc/32/70/25/500327025.db2.gz XKYWRGNRXUFCKU-KJJMTIBFSA-N 1 3 358.526 3.217 20 0 FGADHO COc1ccc(COCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986723 500327285 /nfs/dbraw/zinc/32/72/85/500327285.db2.gz HEPXKKYAPXLAID-UNMCSNQZSA-N 1 3 368.477 3.057 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040941 500327662 /nfs/dbraw/zinc/32/76/62/500327662.db2.gz PVTFRVTVYSUHQO-MSOLQXFVSA-N 1 3 365.521 3.481 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423018777 500331662 /nfs/dbraw/zinc/33/16/62/500331662.db2.gz ZSJIHLABNUNJHK-ZIAGYGMSSA-N 1 3 351.454 3.353 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423018775 500332011 /nfs/dbraw/zinc/33/20/11/500332011.db2.gz ZSJIHLABNUNJHK-KGLIPLIRSA-N 1 3 351.454 3.353 20 0 FGADHO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423027256 500332651 /nfs/dbraw/zinc/33/26/51/500332651.db2.gz REKNKTZRXILZDV-HUUCEWRRSA-N 1 3 357.498 3.395 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423028387 500332884 /nfs/dbraw/zinc/33/28/84/500332884.db2.gz GJFFUIHOTXMZGT-CJNGLKHVSA-N 1 3 355.320 3.368 20 0 FGADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423031204 500333268 /nfs/dbraw/zinc/33/32/68/500333268.db2.gz KSQMDFRGWYCCBK-RCCFBDPRSA-N 1 3 358.461 3.319 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046197 500334858 /nfs/dbraw/zinc/33/48/58/500334858.db2.gz FCKGVMQFDRYVNZ-NMNUPHIUSA-N 1 3 352.522 3.430 20 0 FGADHO O[C@@H]1CCC[C@]1(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423079388 500339084 /nfs/dbraw/zinc/33/90/84/500339084.db2.gz YFYGQZDNNVJACJ-PVIWCNJMSA-N 1 3 360.517 3.410 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423099530 500341728 /nfs/dbraw/zinc/34/17/28/500341728.db2.gz FJKZHMAKFYXQET-VKOGCVSHSA-N 1 3 352.906 3.150 20 0 FGADHO CCCN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104672 500343307 /nfs/dbraw/zinc/34/33/07/500343307.db2.gz MKHNCYONXXCRCG-JEDBISTDSA-N 1 3 353.938 3.065 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127282 500345858 /nfs/dbraw/zinc/34/58/58/500345858.db2.gz BTNADDHZKPRKSW-XHSDSOJGSA-N 1 3 352.906 3.410 20 0 FGADHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(Cl)c1OC ZINC000423132653 500347509 /nfs/dbraw/zinc/34/75/09/500347509.db2.gz JRCLPYJIVGUNDL-LBPRGKRZSA-N 1 3 363.889 3.413 20 0 FGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1Br ZINC000423151442 500348630 /nfs/dbraw/zinc/34/86/30/500348630.db2.gz DFABDDIFTGEGAI-RYQLBKOJSA-N 1 3 369.347 3.158 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c(OC)c1 ZINC000423162175 500350053 /nfs/dbraw/zinc/35/00/53/500350053.db2.gz SWTWTFKMBQMNPY-MJXNMMHHSA-N 1 3 356.466 3.378 20 0 FGADHO Brc1cccc([C@H]([NH2+]C2CCNCC2)C2CCOCC2)c1 ZINC000423180142 500351686 /nfs/dbraw/zinc/35/16/86/500351686.db2.gz IFFGOMYOLDRCBB-QGZVFWFLSA-N 1 3 353.304 3.258 20 0 FGADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182896 500352593 /nfs/dbraw/zinc/35/25/93/500352593.db2.gz LYRYSAUJCVATPJ-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCNCc1cccnc1 ZINC000423187788 500353455 /nfs/dbraw/zinc/35/34/55/500353455.db2.gz MTMMUADAGLRAJO-UGKGYDQZSA-N 1 3 352.526 3.062 20 0 FGADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000423293389 500361690 /nfs/dbraw/zinc/36/16/90/500361690.db2.gz RETMEJBPMNJLMW-OXQOHEQNSA-N 1 3 369.509 3.414 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423311227 500363143 /nfs/dbraw/zinc/36/31/43/500363143.db2.gz SZIZUJBUPFMYQA-NUJGCVRESA-N 1 3 351.560 3.257 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2ccccc21 ZINC000423403718 500370831 /nfs/dbraw/zinc/37/08/31/500370831.db2.gz ZKNDVUBIQUKUAD-KSSFIOAISA-N 1 3 351.416 3.327 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000423404994 500370934 /nfs/dbraw/zinc/37/09/34/500370934.db2.gz YOWWNYQBOZVJFZ-YZGWKJHDSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423450923 500375362 /nfs/dbraw/zinc/37/53/62/500375362.db2.gz HWHUFZMFNDEISR-ONUMYQOESA-N 1 3 370.324 3.291 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1 ZINC000423444166 500375705 /nfs/dbraw/zinc/37/57/05/500375705.db2.gz WMOPCAOCUGTMFN-ZWKOTPCHSA-N 1 3 351.494 3.443 20 0 FGADHO Fc1ccc([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccn2)cc1 ZINC000423505405 500380119 /nfs/dbraw/zinc/38/01/19/500380119.db2.gz HRFPPNQRRNOLKL-QETWGEEDSA-N 1 3 368.500 3.116 20 0 FGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1 ZINC000423531597 500383073 /nfs/dbraw/zinc/38/30/73/500383073.db2.gz SXMLVDIKAFDDKZ-CZGNGVECSA-N 1 3 351.498 3.072 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423753281 500399575 /nfs/dbraw/zinc/39/95/75/500399575.db2.gz XDGFYTVMEJXUOT-RBBKRZOGSA-N 1 3 357.542 3.061 20 0 FGADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423768927 500400443 /nfs/dbraw/zinc/40/04/43/500400443.db2.gz BQCXAGNMEOGFOH-RTBURBONSA-N 1 3 357.542 3.135 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957649 500424456 /nfs/dbraw/zinc/42/44/56/500424456.db2.gz AULNIBMPEGENIA-PZJWPPBQSA-N 1 3 355.526 3.275 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295018 500435932 /nfs/dbraw/zinc/43/59/32/500435932.db2.gz BUBDXPDCJUEEHC-DYESRHJHSA-N 1 3 351.494 3.034 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323898 500442073 /nfs/dbraw/zinc/44/20/73/500442073.db2.gz UOSQXGXLYAYHCZ-RBBKRZOGSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323898 500442075 /nfs/dbraw/zinc/44/20/75/500442075.db2.gz UOSQXGXLYAYHCZ-RBBKRZOGSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323898 500442077 /nfs/dbraw/zinc/44/20/77/500442077.db2.gz UOSQXGXLYAYHCZ-RBBKRZOGSA-N 1 3 354.494 3.419 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3cccc4ccccc43)CC2)C1 ZINC000420381344 500452126 /nfs/dbraw/zinc/45/21/26/500452126.db2.gz CITMPYOVZCXORH-UGKGYDQZSA-N 1 3 354.494 3.437 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412095 500457517 /nfs/dbraw/zinc/45/75/17/500457517.db2.gz SBTHXRJAZKSNKB-GCJKJVERSA-N 1 3 368.477 3.250 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412095 500457518 /nfs/dbraw/zinc/45/75/18/500457518.db2.gz SBTHXRJAZKSNKB-GCJKJVERSA-N 1 3 368.477 3.250 20 0 FGADHO [NH3+][C@@H](CCC(=O)NCC1CCN(c2ccncc2)CC1)CC1CCCCC1 ZINC000424179397 500463960 /nfs/dbraw/zinc/46/39/60/500463960.db2.gz YVYNGIYNUMPBOY-FQEVSTJZSA-N 1 3 372.557 3.492 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270936 500478940 /nfs/dbraw/zinc/47/89/40/500478940.db2.gz RFNWJKABGSNPOQ-YSVGVQOKSA-N 1 3 371.569 3.117 20 0 FGADHO C[C@@H]1CC2(CN1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287028 500481836 /nfs/dbraw/zinc/48/18/36/500481836.db2.gz IFDGZFLLFPDBCT-CXAGYDPISA-N 1 3 365.880 3.048 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244201 500486474 /nfs/dbraw/zinc/48/64/74/500486474.db2.gz XWZMXPFEQAJYSW-GSPCLOLRSA-N 1 3 372.553 3.054 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000576612353 506198761 /nfs/dbraw/zinc/19/87/61/506198761.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000576612353 506198763 /nfs/dbraw/zinc/19/87/63/506198763.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420770440 500497047 /nfs/dbraw/zinc/49/70/47/500497047.db2.gz KEIYLTPHEWARGX-SOAGJPPSSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775075 500498146 /nfs/dbraw/zinc/49/81/46/500498146.db2.gz BLOZZZPVGSCIEH-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780812 500499362 /nfs/dbraw/zinc/49/93/62/500499362.db2.gz QMVQOXOPIRYVJL-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000424439140 500505908 /nfs/dbraw/zinc/50/59/08/500505908.db2.gz REWNTOFNAUQFBB-OXQOHEQNSA-N 1 3 352.482 3.238 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428457948 500512853 /nfs/dbraw/zinc/51/28/53/500512853.db2.gz IAJUZXYAETXXGG-PWRODBHTSA-N 1 3 371.569 3.429 20 0 FGADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000573482084 506201690 /nfs/dbraw/zinc/20/16/90/506201690.db2.gz FDTVDSXEMGPWIQ-WIYYLYMNSA-N 1 3 370.541 3.065 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000420979355 500546092 /nfs/dbraw/zinc/54/60/92/500546092.db2.gz KNTCEIBNEIQMJL-UHFFFAOYSA-N 1 3 353.913 3.471 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000442870614 500637037 /nfs/dbraw/zinc/63/70/37/500637037.db2.gz GGZSIQMLIQTPTK-QGZVFWFLSA-N 1 3 363.546 3.161 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873702 500637758 /nfs/dbraw/zinc/63/77/58/500637758.db2.gz LCJPWXVNIWRKDU-AWEZNQCLSA-N 1 3 359.436 3.262 20 0 FGADHO COc1ccc2oc([C@@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)c(C)c2c1 ZINC000442879524 500638886 /nfs/dbraw/zinc/63/88/86/500638886.db2.gz WNLFBWLHUIHDTJ-MRXNPFEDSA-N 1 3 359.514 3.426 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC[C@@H](CC[NH3+])C3)c2C)cc1 ZINC000442925695 500648480 /nfs/dbraw/zinc/64/84/80/500648480.db2.gz WENJHRRQSQOCAE-SFHVURJKSA-N 1 3 356.514 3.118 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433314853 500670133 /nfs/dbraw/zinc/67/01/33/500670133.db2.gz CAGMWOLJFLVRNW-HXUWFJFHSA-N 1 3 355.482 3.259 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000443242216 500700749 /nfs/dbraw/zinc/70/07/49/500700749.db2.gz UUFCWWBYYKRYDA-AZUAARDMSA-N 1 3 374.573 3.407 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000437864114 500708738 /nfs/dbraw/zinc/70/87/38/500708738.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 1 3 362.562 3.100 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000437864114 500708740 /nfs/dbraw/zinc/70/87/40/500708740.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 1 3 362.562 3.100 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433567998 500713857 /nfs/dbraw/zinc/71/38/57/500713857.db2.gz KBKBNRZABGUDDW-QWFCFKBJSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000448211733 500733510 /nfs/dbraw/zinc/73/35/10/500733510.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000448211733 500733512 /nfs/dbraw/zinc/73/35/12/500733512.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 1 3 374.573 3.174 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745617 /nfs/dbraw/zinc/74/56/17/500745617.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745619 /nfs/dbraw/zinc/74/56/19/500745619.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 1 3 358.448 3.415 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000434056525 500788469 /nfs/dbraw/zinc/78/84/69/500788469.db2.gz HXFCHZDAVXIWGN-RTWAWAEBSA-N 1 3 355.526 3.370 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000434056525 500788471 /nfs/dbraw/zinc/78/84/71/500788471.db2.gz HXFCHZDAVXIWGN-RTWAWAEBSA-N 1 3 355.526 3.370 20 0 FGADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265576 500826598 /nfs/dbraw/zinc/82/65/98/500826598.db2.gz AYEBPTJGPCZNRD-UNMCSNQZSA-N 1 3 367.537 3.033 20 0 FGADHO CCN1CCN([C@@H](C)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079779 500919686 /nfs/dbraw/zinc/91/96/86/500919686.db2.gz PXUUIJZSSCYCSJ-IBGZPJMESA-N 1 3 366.638 3.281 20 0 FGADHO COCC1CCC([NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000449092250 500922958 /nfs/dbraw/zinc/92/29/58/500922958.db2.gz SUHHWRRSIGCFIC-UHFFFAOYSA-N 1 3 359.558 3.384 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000449090674 500923062 /nfs/dbraw/zinc/92/30/62/500923062.db2.gz ODMZWSKZILFMCY-XYJFISCASA-N 1 3 350.503 3.071 20 0 FGADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195892 500945866 /nfs/dbraw/zinc/94/58/66/500945866.db2.gz WTPCWBMUJVJXIX-IRXDYDNUSA-N 1 3 371.294 3.056 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn3c(n2)SCC3)CC1 ZINC000449254628 500958873 /nfs/dbraw/zinc/95/88/73/500958873.db2.gz ZLEIIECKKIUQAF-KRWDZBQOSA-N 1 3 370.566 3.217 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435380480 500963943 /nfs/dbraw/zinc/96/39/43/500963943.db2.gz NZVHMNUDRCIDMI-UCLAIMLFSA-N 1 3 360.452 3.327 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N(C)CCCNC(=O)C2CCC2)CC1 ZINC000449282636 500965974 /nfs/dbraw/zinc/96/59/74/500965974.db2.gz IJNWCWXCPZEZPR-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115665 500976405 /nfs/dbraw/zinc/97/64/05/500976405.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115665 500976406 /nfs/dbraw/zinc/97/64/06/500976406.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449363707 500987800 /nfs/dbraw/zinc/98/78/00/500987800.db2.gz QIKQUMZNLOYUOK-JPYJTQIMSA-N 1 3 370.512 3.414 20 0 FGADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1cccc(F)c1 ZINC000449365033 500987995 /nfs/dbraw/zinc/98/79/95/500987995.db2.gz UWKQAZBHMFQSEH-QFIPXVFZSA-N 1 3 356.485 3.026 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369135 500988149 /nfs/dbraw/zinc/98/81/49/500988149.db2.gz BBRJMZQPCMPSSD-CKVGWXAMSA-N 1 3 370.603 3.223 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccsc1 ZINC000440220890 500988596 /nfs/dbraw/zinc/98/85/96/500988596.db2.gz XLHIQGWZKRMMAN-QGZVFWFLSA-N 1 3 354.564 3.113 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000449491489 501015788 /nfs/dbraw/zinc/01/57/88/501015788.db2.gz HCCWTKQUPVYVAK-KNQAVFIVSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000449491489 501015793 /nfs/dbraw/zinc/01/57/93/501015793.db2.gz HCCWTKQUPVYVAK-KNQAVFIVSA-N 1 3 359.558 3.466 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597309 501040523 /nfs/dbraw/zinc/04/05/23/501040523.db2.gz ZAHFJNXIZSXHQZ-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000449597309 501040525 /nfs/dbraw/zinc/04/05/25/501040525.db2.gz ZAHFJNXIZSXHQZ-RBAQFSTRSA-N 1 3 360.546 3.273 20 0 FGADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCSc1ccccc1Cl ZINC000436061542 501064086 /nfs/dbraw/zinc/06/40/86/501064086.db2.gz QDDIKPVAEWFCNJ-HNNXBMFYSA-N 1 3 369.962 3.142 20 0 FGADHO C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348723 501125248 /nfs/dbraw/zinc/12/52/48/501125248.db2.gz CVWYOZULAGBXMU-HNNXBMFYSA-N 1 3 368.363 3.168 20 0 FGADHO Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352999 501125781 /nfs/dbraw/zinc/12/57/81/501125781.db2.gz LGZDPFCDMRXLBI-YADHBBJMSA-N 1 3 369.553 3.306 20 0 FGADHO CN(C)[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)Cc1ccccc1 ZINC000446570651 501134786 /nfs/dbraw/zinc/13/47/86/501134786.db2.gz COVJATKMCDAKAK-FQEVSTJZSA-N 1 3 368.525 3.085 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000446750349 501161061 /nfs/dbraw/zinc/16/10/61/501161061.db2.gz GINSWFNGDNSHLI-NQIIRXRSSA-N 1 3 371.529 3.272 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000446986681 501191963 /nfs/dbraw/zinc/19/19/63/501191963.db2.gz KCPASYOKDRGOMI-SFHVURJKSA-N 1 3 353.510 3.255 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106649 501270550 /nfs/dbraw/zinc/27/05/50/501270550.db2.gz ZAQXGFCXXYBKMB-PKOBYXMFSA-N 1 3 363.933 3.358 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106649 501270554 /nfs/dbraw/zinc/27/05/54/501270554.db2.gz ZAQXGFCXXYBKMB-PKOBYXMFSA-N 1 3 363.933 3.358 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453169614 501283456 /nfs/dbraw/zinc/28/34/56/501283456.db2.gz XVWHRGRLMSFKCC-AQNXPRMDSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453169614 501283460 /nfs/dbraw/zinc/28/34/60/501283460.db2.gz XVWHRGRLMSFKCC-AQNXPRMDSA-N 1 3 357.542 3.324 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000457804723 501312785 /nfs/dbraw/zinc/31/27/85/501312785.db2.gz UMPYDTIHEFFHHY-IBGZPJMESA-N 1 3 360.546 3.071 20 0 FGADHO Cc1cccc([C@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736055 506247781 /nfs/dbraw/zinc/24/77/81/506247781.db2.gz GTYWONFMAJNLIK-OAQYLSRUSA-N 1 3 355.526 3.183 20 0 FGADHO C[N@H+](CCCCNCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000453591499 501356471 /nfs/dbraw/zinc/35/64/71/501356471.db2.gz CKCUACPSCCKOQJ-UHFFFAOYSA-N 1 3 353.304 3.348 20 0 FGADHO C[N@@H+](CCCCNCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000453591499 501356473 /nfs/dbraw/zinc/35/64/73/501356473.db2.gz CKCUACPSCCKOQJ-UHFFFAOYSA-N 1 3 353.304 3.348 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455863800 501402208 /nfs/dbraw/zinc/40/22/08/501402208.db2.gz SIJIVVSVHNHVOQ-OALUTQOASA-N 1 3 358.530 3.477 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](N4CCCCC4)C3)ccc21 ZINC000455892904 501409221 /nfs/dbraw/zinc/40/92/21/501409221.db2.gz CACJDNGJLCSOSU-AZUAARDMSA-N 1 3 356.514 3.328 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458373644 501430099 /nfs/dbraw/zinc/43/00/99/501430099.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 1 3 364.578 3.014 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458373644 501430101 /nfs/dbraw/zinc/43/01/01/501430101.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000458381085 501431594 /nfs/dbraw/zinc/43/15/94/501431594.db2.gz VOPCQUPYLKDMNN-AVRDEDQJSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453934 /nfs/dbraw/zinc/45/39/34/501453934.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 1 3 357.542 3.475 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453937 /nfs/dbraw/zinc/45/39/37/501453937.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358528 501522458 /nfs/dbraw/zinc/52/24/58/501522458.db2.gz GRXINQMSPZZSHK-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972861 501568343 /nfs/dbraw/zinc/56/83/43/501568343.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972861 501568347 /nfs/dbraw/zinc/56/83/47/501568347.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273302 501623116 /nfs/dbraw/zinc/62/31/16/501623116.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273302 501623118 /nfs/dbraw/zinc/62/31/18/501623118.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459293655 501626071 /nfs/dbraw/zinc/62/60/71/501626071.db2.gz GAVGBOYJWNAJIW-LJQANCHMSA-N 1 3 359.558 3.466 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](N3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411277 501648862 /nfs/dbraw/zinc/64/88/62/501648862.db2.gz OCLNOMVKRRZBED-QHCPKHFHSA-N 1 3 371.569 3.085 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](N3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411277 501648864 /nfs/dbraw/zinc/64/88/64/501648864.db2.gz OCLNOMVKRRZBED-QHCPKHFHSA-N 1 3 371.569 3.085 20 0 FGADHO COCCOCc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459563851 501677527 /nfs/dbraw/zinc/67/75/27/501677527.db2.gz VWFRTLXEHJAHSQ-UHFFFAOYSA-N 1 3 355.482 3.003 20 0 FGADHO COc1cc(Br)c(CNCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459731191 501705775 /nfs/dbraw/zinc/70/57/75/501705775.db2.gz KUMIKCCNBGBWHZ-ZDUSSCGKSA-N 1 3 371.319 3.288 20 0 FGADHO COc1cc(Br)c(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731191 501705777 /nfs/dbraw/zinc/70/57/77/501705777.db2.gz KUMIKCCNBGBWHZ-ZDUSSCGKSA-N 1 3 371.319 3.288 20 0 FGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000598994392 506268659 /nfs/dbraw/zinc/26/86/59/506268659.db2.gz MAYJKJDVITWTJG-CQSZACIVSA-N 1 3 358.267 3.113 20 0 FGADHO COc1ccc([C@H](CO)CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000459765331 501711229 /nfs/dbraw/zinc/71/12/29/501711229.db2.gz XGMQOAVSZSOJDT-LMNJBCLMSA-N 1 3 360.542 3.404 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccsc1 ZINC000474291967 501777781 /nfs/dbraw/zinc/77/77/81/501777781.db2.gz MTNANBOXJNRJIA-HXUWFJFHSA-N 1 3 371.550 3.249 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000464061237 501886824 /nfs/dbraw/zinc/88/68/24/501886824.db2.gz AUDMMRLXMQLYMO-PWRODBHTSA-N 1 3 360.542 3.354 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000481904014 501913985 /nfs/dbraw/zinc/91/39/85/501913985.db2.gz JMPAEEXDOGUDTG-RDJZCZTQSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)C[C@H](CNC(=O)NC1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024332 501933314 /nfs/dbraw/zinc/93/33/14/501933314.db2.gz KQNMIZNSGWDBLO-YLJYHZDGSA-N 1 3 360.546 3.145 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000482130525 501984494 /nfs/dbraw/zinc/98/44/94/501984494.db2.gz UNRHCCRCTLNCBS-LJQANCHMSA-N 1 3 368.525 3.343 20 0 FGADHO Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000471379419 502004958 /nfs/dbraw/zinc/00/49/58/502004958.db2.gz IEFYMDNRBNUUJM-QFIPXVFZSA-N 1 3 365.521 3.162 20 0 FGADHO Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000471379419 502004966 /nfs/dbraw/zinc/00/49/66/502004966.db2.gz IEFYMDNRBNUUJM-QFIPXVFZSA-N 1 3 365.521 3.162 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136784 502075028 /nfs/dbraw/zinc/07/50/28/502075028.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136784 502075033 /nfs/dbraw/zinc/07/50/33/502075033.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 1 3 372.557 3.023 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475168924 502088601 /nfs/dbraw/zinc/08/86/01/502088601.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475168924 502088607 /nfs/dbraw/zinc/08/86/07/502088607.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccccc1 ZINC000464825197 502108128 /nfs/dbraw/zinc/10/81/28/502108128.db2.gz CFMWQLVOADXIJN-CTNGQTDRSA-N 1 3 374.573 3.347 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825197 502108131 /nfs/dbraw/zinc/10/81/31/502108131.db2.gz CFMWQLVOADXIJN-CTNGQTDRSA-N 1 3 374.573 3.347 20 0 FGADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475302334 502125704 /nfs/dbraw/zinc/12/57/04/502125704.db2.gz FLIGQNDJLGHEIH-OAQYLSRUSA-N 1 3 351.494 3.095 20 0 FGADHO COCCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475362534 502149728 /nfs/dbraw/zinc/14/97/28/502149728.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 1 3 366.505 3.276 20 0 FGADHO COCCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475362534 502149731 /nfs/dbraw/zinc/14/97/31/502149731.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 1 3 366.505 3.276 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000471875215 502161232 /nfs/dbraw/zinc/16/12/32/502161232.db2.gz WJXUTRQDNSTOMM-TZIWHRDSSA-N 1 3 357.542 3.107 20 0 FGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875215 502161236 /nfs/dbraw/zinc/16/12/36/502161236.db2.gz WJXUTRQDNSTOMM-TZIWHRDSSA-N 1 3 357.542 3.107 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000471875215 502161240 /nfs/dbraw/zinc/16/12/40/502161240.db2.gz WJXUTRQDNSTOMM-TZIWHRDSSA-N 1 3 357.542 3.107 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750417 502170683 /nfs/dbraw/zinc/17/06/83/502170683.db2.gz ZHPBHPODAOZTPM-IAGOWNOFSA-N 1 3 361.555 3.089 20 0 FGADHO [NH3+]C[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1 ZINC000479192831 502189558 /nfs/dbraw/zinc/18/95/58/502189558.db2.gz JYFPLNRXUWKDOA-HXUWFJFHSA-N 1 3 355.457 3.493 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207207 502192961 /nfs/dbraw/zinc/19/29/61/502192961.db2.gz IQYPZPDEMRRHKF-CZAAIQMYSA-N 1 3 369.484 3.037 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207207 502192963 /nfs/dbraw/zinc/19/29/63/502192963.db2.gz IQYPZPDEMRRHKF-CZAAIQMYSA-N 1 3 369.484 3.037 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419382 502256153 /nfs/dbraw/zinc/25/61/53/502256153.db2.gz AVRZETKTGKNSGD-PMACEKPBSA-N 1 3 360.546 3.195 20 0 FGADHO C[NH+](C)CCOCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479457386 502265621 /nfs/dbraw/zinc/26/56/21/502265621.db2.gz VORMINDNIHLOGT-INIZCTEOSA-N 1 3 359.283 3.207 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000462118146 502313621 /nfs/dbraw/zinc/31/36/21/502313621.db2.gz CYZZFTRIYBGBKQ-INIZCTEOSA-N 1 3 374.447 3.200 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462122284 502314018 /nfs/dbraw/zinc/31/40/18/502314018.db2.gz SEIDLOMIYGCYIU-JOCHJYFZSA-N 1 3 352.522 3.277 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433407 502391031 /nfs/dbraw/zinc/39/10/31/502391031.db2.gz MSEZSIREMDLNAF-ZVZYQTTQSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433407 502391035 /nfs/dbraw/zinc/39/10/35/502391035.db2.gz MSEZSIREMDLNAF-ZVZYQTTQSA-N 1 3 366.347 3.348 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000479876618 502406086 /nfs/dbraw/zinc/40/60/86/502406086.db2.gz UIFWXWCWXOGTPD-HSALFYBXSA-N 1 3 363.546 3.143 20 0 FGADHO CCOc1c(Cl)cccc1C[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC000487320750 502417104 /nfs/dbraw/zinc/41/71/04/502417104.db2.gz OETREIZHMKAUET-INIZCTEOSA-N 1 3 353.938 3.102 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000465920851 502427864 /nfs/dbraw/zinc/42/78/64/502427864.db2.gz GIJQVSJBCFSTSZ-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465923000 502428687 /nfs/dbraw/zinc/42/86/87/502428687.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465923000 502428693 /nfs/dbraw/zinc/42/86/93/502428693.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465922998 502429033 /nfs/dbraw/zinc/42/90/33/502429033.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465922998 502429036 /nfs/dbraw/zinc/42/90/36/502429036.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567415 502434338 /nfs/dbraw/zinc/43/43/38/502434338.db2.gz JIGPKKFTJBXAHI-NJYVYQBISA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483567415 502434339 /nfs/dbraw/zinc/43/43/39/502434339.db2.gz JIGPKKFTJBXAHI-NJYVYQBISA-N 1 3 357.542 3.086 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000466018554 502455620 /nfs/dbraw/zinc/45/56/20/502455620.db2.gz OQXJAYIPTXZJGU-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684102 502463042 /nfs/dbraw/zinc/46/30/42/502463042.db2.gz PISPWIOPWXSGPC-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684102 502463046 /nfs/dbraw/zinc/46/30/46/502463046.db2.gz PISPWIOPWXSGPC-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042104 502463174 /nfs/dbraw/zinc/46/31/74/502463174.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042104 502463181 /nfs/dbraw/zinc/46/31/81/502463181.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN(C2CCC2)C1 ZINC000487847252 502546651 /nfs/dbraw/zinc/54/66/51/502546651.db2.gz ZWSXSXCVOUFMAQ-XLIONFOSSA-N 1 3 364.578 3.013 20 0 FGADHO Clc1sccc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000480380302 502552506 /nfs/dbraw/zinc/55/25/06/502552506.db2.gz CXQWTIPBFNLWHT-UHFFFAOYSA-N 1 3 350.919 3.098 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750264 502556546 /nfs/dbraw/zinc/55/65/46/502556546.db2.gz NKLSFKADLOLASZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750264 502556550 /nfs/dbraw/zinc/55/65/50/502556550.db2.gz NKLSFKADLOLASZ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462785228 502571510 /nfs/dbraw/zinc/57/15/10/502571510.db2.gz KPZOGEUIMKWSFT-YTFSRNRJSA-N 1 3 371.569 3.119 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823676 502589025 /nfs/dbraw/zinc/58/90/25/502589025.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823676 502589031 /nfs/dbraw/zinc/58/90/31/502589031.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 1 3 369.553 3.278 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000484180879 502594824 /nfs/dbraw/zinc/59/48/24/502594824.db2.gz VDHRHSKDCFRYEK-FQEVSTJZSA-N 1 3 360.448 3.295 20 0 FGADHO O[C@H]1CCN(Cc2cccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605320 /nfs/dbraw/zinc/60/53/20/502605320.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 1 3 365.521 3.330 20 0 FGADHO O[C@H]1CCN(Cc2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605329 /nfs/dbraw/zinc/60/53/29/502605329.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 1 3 365.521 3.330 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418887 502709386 /nfs/dbraw/zinc/70/93/86/502709386.db2.gz TUVJPVPKVPBHRZ-RTWAWAEBSA-N 1 3 361.599 3.444 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971050 502716654 /nfs/dbraw/zinc/71/66/54/502716654.db2.gz ZVQABXMMNXYFCB-ROUUACIJSA-N 1 3 371.569 3.405 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026308 502731811 /nfs/dbraw/zinc/73/18/11/502731811.db2.gz RLFBXOBVXAFLLN-RXVVDRJESA-N 1 3 354.494 3.373 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499213 502733510 /nfs/dbraw/zinc/73/35/10/502733510.db2.gz NQPBZSHQGDKOOS-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499213 502733514 /nfs/dbraw/zinc/73/35/14/502733514.db2.gz NQPBZSHQGDKOOS-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000488502411 502733949 /nfs/dbraw/zinc/73/39/49/502733949.db2.gz HWSMWTDUVXMJIT-KCZVDYSFSA-N 1 3 372.557 3.213 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000488502417 502734422 /nfs/dbraw/zinc/73/44/22/502734422.db2.gz HWSMWTDUVXMJIT-VWPQPMDRSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C)cc1 ZINC000470480271 502789973 /nfs/dbraw/zinc/78/99/73/502789973.db2.gz RAHDWPPVBWLRSO-FQEVSTJZSA-N 1 3 362.562 3.406 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)CC1 ZINC000474102169 502809807 /nfs/dbraw/zinc/80/98/07/502809807.db2.gz CUDDVKQEQLCHLD-NRFANRHFSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)CC1 ZINC000474102169 502809812 /nfs/dbraw/zinc/80/98/12/502809812.db2.gz CUDDVKQEQLCHLD-NRFANRHFSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000500680292 502839003 /nfs/dbraw/zinc/83/90/03/502839003.db2.gz BKYJBWQCIUQJNY-OALUTQOASA-N 1 3 372.557 3.012 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091566 502878025 /nfs/dbraw/zinc/87/80/25/502878025.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000489091566 502878027 /nfs/dbraw/zinc/87/80/27/502878027.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054761 502923086 /nfs/dbraw/zinc/92/30/86/502923086.db2.gz VBGWNIADWICTEV-OPYAIIAOSA-N 1 3 372.557 3.313 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000505754982 502978918 /nfs/dbraw/zinc/97/89/18/502978918.db2.gz PQCMODLAHALEMM-PXNSSMCTSA-N 1 3 363.521 3.194 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000505754982 502978921 /nfs/dbraw/zinc/97/89/21/502978921.db2.gz PQCMODLAHALEMM-PXNSSMCTSA-N 1 3 363.521 3.194 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000497555791 502986355 /nfs/dbraw/zinc/98/63/55/502986355.db2.gz DJLFHFFMCFFHSY-YTQUADARSA-N 1 3 362.562 3.343 20 0 FGADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513683003 503000068 /nfs/dbraw/zinc/00/00/68/503000068.db2.gz DYLNNOUGCSHLKC-RYFAJOAYSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683003 503000073 /nfs/dbraw/zinc/00/00/73/503000073.db2.gz DYLNNOUGCSHLKC-RYFAJOAYSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683003 503000076 /nfs/dbraw/zinc/00/00/76/503000076.db2.gz DYLNNOUGCSHLKC-RYFAJOAYSA-N 1 3 369.553 3.278 20 0 FGADHO CN1CCC(O)(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000501459663 503014575 /nfs/dbraw/zinc/01/45/75/503014575.db2.gz BSLSCBSIRVZTPT-UHFFFAOYSA-N 1 3 360.448 3.143 20 0 FGADHO CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936287 503014773 /nfs/dbraw/zinc/01/47/73/503014773.db2.gz AWHIGIGMPDDPAN-QUCCMNQESA-N 1 3 363.521 3.130 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515800 503026821 /nfs/dbraw/zinc/02/68/21/503026821.db2.gz CUEOOZWPQBYORS-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501515800 503026824 /nfs/dbraw/zinc/02/68/24/503026824.db2.gz CUEOOZWPQBYORS-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCCC[C@@H]1C ZINC000501519034 503027368 /nfs/dbraw/zinc/02/73/68/503027368.db2.gz UHDPIHCZUFFNRR-ROUUACIJSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528324 503029673 /nfs/dbraw/zinc/02/96/73/503029673.db2.gz CSRADAQNBSONJN-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528324 503029678 /nfs/dbraw/zinc/02/96/78/503029678.db2.gz CSRADAQNBSONJN-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501528322 503029913 /nfs/dbraw/zinc/02/99/13/503029913.db2.gz CSRADAQNBSONJN-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528322 503029917 /nfs/dbraw/zinc/02/99/17/503029917.db2.gz CSRADAQNBSONJN-DYXWJJEUSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829814 503044209 /nfs/dbraw/zinc/04/42/09/503044209.db2.gz JPYKCRDKQDXMFY-CTNGQTDRSA-N 1 3 374.573 3.315 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510080294 503044432 /nfs/dbraw/zinc/04/44/32/503044432.db2.gz UPYWYIUSGBHJQS-HSZRJFAPSA-N 1 3 371.569 3.419 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCCC1 ZINC000514083816 503083510 /nfs/dbraw/zinc/08/35/10/503083510.db2.gz MUPQVRQPIXFFNY-NRDMVMEKSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N1CCCC1 ZINC000514083816 503083514 /nfs/dbraw/zinc/08/35/14/503083514.db2.gz MUPQVRQPIXFFNY-NRDMVMEKSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N1CCCC1 ZINC000514083816 503083518 /nfs/dbraw/zinc/08/35/18/503083518.db2.gz MUPQVRQPIXFFNY-NRDMVMEKSA-N 1 3 357.542 3.295 20 0 FGADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305149 503088565 /nfs/dbraw/zinc/08/85/65/503088565.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305149 503088571 /nfs/dbraw/zinc/08/85/71/503088571.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305151 503088991 /nfs/dbraw/zinc/08/89/91/503088991.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000510305151 503088994 /nfs/dbraw/zinc/08/89/94/503088994.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 1 3 372.557 3.069 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501856512 503095046 /nfs/dbraw/zinc/09/50/46/503095046.db2.gz JPLVJOWZOGFTQB-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856512 503095050 /nfs/dbraw/zinc/09/50/50/503095050.db2.gz JPLVJOWZOGFTQB-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000514158940 503101836 /nfs/dbraw/zinc/10/18/36/503101836.db2.gz YDMJVUARYSKQST-IBGZPJMESA-N 1 3 360.546 3.161 20 0 FGADHO CCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000514157967 503101983 /nfs/dbraw/zinc/10/19/83/503101983.db2.gz MJXGUEBZDDXNQW-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206296 503111961 /nfs/dbraw/zinc/11/19/61/503111961.db2.gz NPMYYGVTBIETJU-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211018 503114260 /nfs/dbraw/zinc/11/42/60/503114260.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211018 503114263 /nfs/dbraw/zinc/11/42/63/503114263.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000514244796 503124610 /nfs/dbraw/zinc/12/46/10/503124610.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+]1CCCC[C@@H]1C ZINC000514244796 503124614 /nfs/dbraw/zinc/12/46/14/503124614.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 1 3 372.557 3.384 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135364 503148925 /nfs/dbraw/zinc/14/89/25/503148925.db2.gz DPWHCLHFBVDTAO-OKZBNKHCSA-N 1 3 364.534 3.273 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000498383611 503175749 /nfs/dbraw/zinc/17/57/49/503175749.db2.gz BXAMLHHDGZTXDA-MRXNPFEDSA-N 1 3 355.910 3.386 20 0 FGADHO CC(C)CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000511057170 503243518 /nfs/dbraw/zinc/24/35/18/503243518.db2.gz SNUYSXZHJALUNS-OAQYLSRUSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000511057170 503243522 /nfs/dbraw/zinc/24/35/22/503243522.db2.gz SNUYSXZHJALUNS-OAQYLSRUSA-N 1 3 371.569 3.477 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000502841595 503286191 /nfs/dbraw/zinc/28/61/91/503286191.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000502841595 503286197 /nfs/dbraw/zinc/28/61/97/503286197.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000502894018 503301726 /nfs/dbraw/zinc/30/17/26/503301726.db2.gz JOPNZJAEQDGUAO-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000502894018 503301730 /nfs/dbraw/zinc/30/17/30/503301730.db2.gz JOPNZJAEQDGUAO-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO COc1cccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000507456835 503301775 /nfs/dbraw/zinc/30/17/75/503301775.db2.gz ACZNDDMXBRJIBH-CEWLAPEOSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507456835 503301777 /nfs/dbraw/zinc/30/17/77/503301777.db2.gz ACZNDDMXBRJIBH-CEWLAPEOSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507456835 503301779 /nfs/dbraw/zinc/30/17/79/503301779.db2.gz ACZNDDMXBRJIBH-CEWLAPEOSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000502927934 503309488 /nfs/dbraw/zinc/30/94/88/503309488.db2.gz FUSSWFQZWIRURK-SFHVURJKSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418875 503318358 /nfs/dbraw/zinc/31/83/58/503318358.db2.gz UWSUBCJMVGQNQO-YRXWBPOGSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418875 503318361 /nfs/dbraw/zinc/31/83/61/503318361.db2.gz UWSUBCJMVGQNQO-YRXWBPOGSA-N 1 3 364.578 3.202 20 0 FGADHO COCCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000515353071 503322046 /nfs/dbraw/zinc/32/20/46/503322046.db2.gz ACWAOZIYSWXJPY-FPOVZHCZSA-N 1 3 360.542 3.320 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503330016 /nfs/dbraw/zinc/33/00/16/503330016.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503330020 /nfs/dbraw/zinc/33/00/20/503330020.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000503091070 503345370 /nfs/dbraw/zinc/34/53/70/503345370.db2.gz DZIMYRSGAHJBBU-KRWDZBQOSA-N 1 3 360.546 3.289 20 0 FGADHO CC(C)CN(CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511590704 503350577 /nfs/dbraw/zinc/35/05/77/503350577.db2.gz HEUYNRXRPVDGDD-UHFFFAOYSA-N 1 3 359.558 3.176 20 0 FGADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000507950688 503403327 /nfs/dbraw/zinc/40/33/27/503403327.db2.gz MTSQKKGCJHLWTE-AZUAARDMSA-N 1 3 357.542 3.428 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089924 503428212 /nfs/dbraw/zinc/42/82/12/503428212.db2.gz QMESFRUXLCPLIE-IBGZPJMESA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089924 503428215 /nfs/dbraw/zinc/42/82/15/503428215.db2.gz QMESFRUXLCPLIE-IBGZPJMESA-N 1 3 370.541 3.273 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000493824670 503448241 /nfs/dbraw/zinc/44/82/41/503448241.db2.gz TYQNOLKDQKVPHL-OALUTQOASA-N 1 3 353.510 3.131 20 0 FGADHO CN(C)Cc1cnc(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000512109938 503459473 /nfs/dbraw/zinc/45/94/73/503459473.db2.gz YELXBTLEUSUAMI-UHFFFAOYSA-N 1 3 362.518 3.098 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000503992601 503506231 /nfs/dbraw/zinc/50/62/31/503506231.db2.gz VMYHTELUNLELDL-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177283 503534711 /nfs/dbraw/zinc/53/47/11/503534711.db2.gz PSXJUWANVXAJRJ-HSALFYBXSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000504177283 503534714 /nfs/dbraw/zinc/53/47/14/503534714.db2.gz PSXJUWANVXAJRJ-HSALFYBXSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000516633208 503555236 /nfs/dbraw/zinc/55/52/36/503555236.db2.gz ILQRSNSUNKXWOI-HOCLYGCPSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000516633208 503555239 /nfs/dbraw/zinc/55/52/39/503555239.db2.gz ILQRSNSUNKXWOI-HOCLYGCPSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508850108 503577122 /nfs/dbraw/zinc/57/71/22/503577122.db2.gz DXPGHFDPLPFXDF-CEWLAPEOSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@@H](C)C1 ZINC000508917600 503600005 /nfs/dbraw/zinc/60/00/05/503600005.db2.gz IBRNPKMCUWFOED-IZZBFERCSA-N 1 3 374.573 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@@H](C)C1 ZINC000508917600 503600006 /nfs/dbraw/zinc/60/00/06/503600006.db2.gz IBRNPKMCUWFOED-IZZBFERCSA-N 1 3 374.573 3.358 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000536675486 503675386 /nfs/dbraw/zinc/67/53/86/503675386.db2.gz QSNDQKRHLJVXIF-UHFFFAOYSA-N 1 3 360.420 3.170 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000540159894 503693065 /nfs/dbraw/zinc/69/30/65/503693065.db2.gz ABVGNBMTTOWAIT-NJDAHSKKSA-N 1 3 358.526 3.485 20 0 FGADHO Cc1c([C@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169702 503695452 /nfs/dbraw/zinc/69/54/52/503695452.db2.gz HTRJRDUSHXVDFU-KSZLIROESA-N 1 3 371.529 3.116 20 0 FGADHO Cc1c([C@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169702 503695455 /nfs/dbraw/zinc/69/54/55/503695455.db2.gz HTRJRDUSHXVDFU-KSZLIROESA-N 1 3 371.529 3.116 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181661 503753278 /nfs/dbraw/zinc/75/32/78/503753278.db2.gz NYCTUJOCKVUJCC-IEBWSBKVSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@H+]1C ZINC000533181661 503753282 /nfs/dbraw/zinc/75/32/82/503753282.db2.gz NYCTUJOCKVUJCC-IEBWSBKVSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388950 503756475 /nfs/dbraw/zinc/75/64/75/503756475.db2.gz XQBADYLEJQQQKY-UZLBHIALSA-N 1 3 352.482 3.469 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)NCC3([NH3+])CCCCCC3)c2)CC1 ZINC000517535766 503766176 /nfs/dbraw/zinc/76/61/76/503766176.db2.gz KGOBMVHIJOQPDV-UHFFFAOYSA-N 1 3 373.545 3.002 20 0 FGADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1Cl ZINC000537000212 503774812 /nfs/dbraw/zinc/77/48/12/503774812.db2.gz UKDHTLHHLCOWTF-FQEVSTJZSA-N 1 3 367.965 3.017 20 0 FGADHO C[C@H](CN1CCC2(CCOCC2)[C@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573909 503816662 /nfs/dbraw/zinc/81/66/62/503816662.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@H](CN1CCC2(CCOCC2)[C@H]1C)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573909 503816665 /nfs/dbraw/zinc/81/66/65/503816665.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@@H](CN1CCC2(CCOCC2)[C@@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573909 503816669 /nfs/dbraw/zinc/81/66/69/503816669.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 1 3 364.574 3.405 20 0 FGADHO C[C@@H](CN1CCC2(CCOCC2)[C@@H]1C)C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573909 503816671 /nfs/dbraw/zinc/81/66/71/503816671.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 1 3 364.574 3.405 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011102 503887856 /nfs/dbraw/zinc/88/78/56/503887856.db2.gz DOOCZCUSAHKDQU-CTNGQTDRSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011102 503887859 /nfs/dbraw/zinc/88/78/59/503887859.db2.gz DOOCZCUSAHKDQU-CTNGQTDRSA-N 1 3 372.557 3.386 20 0 FGADHO COc1cc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698772 503900974 /nfs/dbraw/zinc/90/09/74/503900974.db2.gz DGNRKCLKMOWIAY-CQSZACIVSA-N 1 3 360.420 3.305 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000518402557 503974431 /nfs/dbraw/zinc/97/44/31/503974431.db2.gz HDXUKTPASHZSQY-GGPKGHCWSA-N 1 3 374.573 3.345 20 0 FGADHO CCN(Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661286 503996118 /nfs/dbraw/zinc/99/61/18/503996118.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 1 3 363.509 3.312 20 0 FGADHO CCN(Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661286 503996119 /nfs/dbraw/zinc/99/61/19/503996119.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 1 3 363.509 3.312 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000541097382 504006365 /nfs/dbraw/zinc/00/63/65/504006365.db2.gz UVXCELBXBMWTOH-FQEVSTJZSA-N 1 3 366.594 3.404 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000527950017 504013016 /nfs/dbraw/zinc/01/30/16/504013016.db2.gz OUOMJJSSXBQEJY-GIVPXCGWSA-N 1 3 351.579 3.120 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612074 504027131 /nfs/dbraw/zinc/02/71/31/504027131.db2.gz XDKZIKXXMYDSSW-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000528008712 504037664 /nfs/dbraw/zinc/03/76/64/504037664.db2.gz XAKAXRMFHXAZAM-ZPMCFJSWSA-N 1 3 363.505 3.314 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000528008712 504037668 /nfs/dbraw/zinc/03/76/68/504037668.db2.gz XAKAXRMFHXAZAM-ZPMCFJSWSA-N 1 3 363.505 3.314 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043157 /nfs/dbraw/zinc/04/31/57/504043157.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 1 3 369.303 3.482 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043163 /nfs/dbraw/zinc/04/31/63/504043163.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 1 3 369.303 3.482 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547387772 504087384 /nfs/dbraw/zinc/08/73/84/504087384.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000547387772 504087385 /nfs/dbraw/zinc/08/73/85/504087385.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098192 504132759 /nfs/dbraw/zinc/13/27/59/504132759.db2.gz CODQWDGUCRWJJF-SJLPKXTDSA-N 1 3 351.922 3.214 20 0 FGADHO CC(C)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098192 504132762 /nfs/dbraw/zinc/13/27/62/504132762.db2.gz CODQWDGUCRWJJF-SJLPKXTDSA-N 1 3 351.922 3.214 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099439 504140007 /nfs/dbraw/zinc/14/00/07/504140007.db2.gz SVXNHBRCZLQDIZ-QGZVFWFLSA-N 1 3 353.457 3.112 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099439 504140012 /nfs/dbraw/zinc/14/00/12/504140012.db2.gz SVXNHBRCZLQDIZ-QGZVFWFLSA-N 1 3 353.457 3.112 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000528375637 504195117 /nfs/dbraw/zinc/19/51/17/504195117.db2.gz ZOEVFRRCAQUXFG-BHIFYINESA-N 1 3 369.553 3.231 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000528375637 504195122 /nfs/dbraw/zinc/19/51/22/504195122.db2.gz ZOEVFRRCAQUXFG-BHIFYINESA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000544622277 504195480 /nfs/dbraw/zinc/19/54/80/504195480.db2.gz WJUPOWAGKKIZRM-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000544622277 504195484 /nfs/dbraw/zinc/19/54/84/504195484.db2.gz WJUPOWAGKKIZRM-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO CCOc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393627 504232765 /nfs/dbraw/zinc/23/27/65/504232765.db2.gz BVIQUDCXXNGEHL-WBVHZDCISA-N 1 3 373.497 3.070 20 0 FGADHO CC(C)CO[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000538394172 504232903 /nfs/dbraw/zinc/23/29/03/504232903.db2.gz QALOGUUPVLDUSP-PMACEKPBSA-N 1 3 365.606 3.366 20 0 FGADHO C[N@H+]1CC=C(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000538445817 504248084 /nfs/dbraw/zinc/24/80/84/504248084.db2.gz MNAWNVDHYODOLQ-GOSISDBHSA-N 1 3 350.890 3.249 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000538445817 504248089 /nfs/dbraw/zinc/24/80/89/504248089.db2.gz MNAWNVDHYODOLQ-GOSISDBHSA-N 1 3 350.890 3.249 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783936 504257690 /nfs/dbraw/zinc/25/76/90/504257690.db2.gz XKGMHEISVUTRJV-GOSISDBHSA-N 1 3 357.542 3.267 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302543 /nfs/dbraw/zinc/30/25/43/504302543.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302551 /nfs/dbraw/zinc/30/25/51/504302551.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528715241 504346336 /nfs/dbraw/zinc/34/63/36/504346336.db2.gz NMNBOPXIAADRHV-HZPDHXFCSA-N 1 3 374.529 3.047 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000538761837 504360697 /nfs/dbraw/zinc/36/06/97/504360697.db2.gz FPOGCIIAFIXFHP-UHFFFAOYSA-N 1 3 350.503 3.027 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H]1CCCc2ccc(Br)cc21 ZINC000538866733 504398149 /nfs/dbraw/zinc/39/81/49/504398149.db2.gz BOYNYDQMCSYLPL-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2ccc(Br)cc21 ZINC000538866733 504398151 /nfs/dbraw/zinc/39/81/51/504398151.db2.gz BOYNYDQMCSYLPL-QGZVFWFLSA-N 1 3 355.320 3.384 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520200336 504433431 /nfs/dbraw/zinc/43/34/31/504433431.db2.gz MKIHXSCRQHZAIJ-RTBURBONSA-N 1 3 366.594 3.260 20 0 FGADHO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1c1ccccc1 ZINC000535469429 504443855 /nfs/dbraw/zinc/44/38/55/504443855.db2.gz ONCBNIXGXAZGDX-FCHUYYIVSA-N 1 3 372.472 3.422 20 0 FGADHO C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1c1ccccc1 ZINC000535469429 504443857 /nfs/dbraw/zinc/44/38/57/504443857.db2.gz ONCBNIXGXAZGDX-FCHUYYIVSA-N 1 3 372.472 3.422 20 0 FGADHO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548482836 504461040 /nfs/dbraw/zinc/46/10/40/504461040.db2.gz GSTJVHNZHAEWDF-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482836 504461043 /nfs/dbraw/zinc/46/10/43/504461043.db2.gz GSTJVHNZHAEWDF-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482836 504461047 /nfs/dbraw/zinc/46/10/47/504461047.db2.gz GSTJVHNZHAEWDF-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714976 504537810 /nfs/dbraw/zinc/53/78/10/504537810.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714976 504537815 /nfs/dbraw/zinc/53/78/15/504537815.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 1 3 357.542 3.420 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639560 504546719 /nfs/dbraw/zinc/54/67/19/504546719.db2.gz FTRFCJOCIZHNFB-QUCCMNQESA-N 1 3 366.509 3.361 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639560 504546721 /nfs/dbraw/zinc/54/67/21/504546721.db2.gz FTRFCJOCIZHNFB-QUCCMNQESA-N 1 3 366.509 3.361 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200740 504571088 /nfs/dbraw/zinc/57/10/88/504571088.db2.gz XRZIGAVGRVPMTG-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200740 504571094 /nfs/dbraw/zinc/57/10/94/504571094.db2.gz XRZIGAVGRVPMTG-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000532200740 504571097 /nfs/dbraw/zinc/57/10/97/504571097.db2.gz XRZIGAVGRVPMTG-CQSZACIVSA-N 1 3 370.335 3.486 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)C12CCC2 ZINC000539500230 504591533 /nfs/dbraw/zinc/59/15/33/504591533.db2.gz VIRXHMHIQJEIFW-FCHUYYIVSA-N 1 3 371.569 3.261 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000539832237 504709206 /nfs/dbraw/zinc/70/92/06/504709206.db2.gz PJSJODCNYANQCW-UHFFFAOYSA-N 1 3 362.905 3.273 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000549173399 504712162 /nfs/dbraw/zinc/71/21/62/504712162.db2.gz LARYCNYSPPHSJK-UHFFFAOYSA-N 1 3 353.510 3.389 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000549173399 504712170 /nfs/dbraw/zinc/71/21/70/504712170.db2.gz LARYCNYSPPHSJK-UHFFFAOYSA-N 1 3 353.510 3.389 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000532838158 504765433 /nfs/dbraw/zinc/76/54/33/504765433.db2.gz DCPYAQFBAGCDLW-OALUTQOASA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000549258330 504775744 /nfs/dbraw/zinc/77/57/44/504775744.db2.gz YWJGTODDZCDVOL-UHFFFAOYSA-N 1 3 370.541 3.030 20 0 FGADHO CC(C)(C)C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000552947372 504792037 /nfs/dbraw/zinc/79/20/37/504792037.db2.gz QJVDGFDGJUPYBL-HXUWFJFHSA-N 1 3 357.542 3.497 20 0 FGADHO Cn1nnc2cc(C[NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)ccc21 ZINC000565111116 504797305 /nfs/dbraw/zinc/79/73/05/504797305.db2.gz VAGYDDYNIYIZIZ-HXUWFJFHSA-N 1 3 363.509 3.360 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000559321518 504832888 /nfs/dbraw/zinc/83/28/88/504832888.db2.gz PFGMIOPTAMCYPR-QFIPXVFZSA-N 1 3 359.558 3.249 20 0 FGADHO C[NH+](C)Cc1ccc(CNC[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000559731092 504917468 /nfs/dbraw/zinc/91/74/68/504917468.db2.gz VHYNLEKHVVGRTR-OAQYLSRUSA-N 1 3 364.489 3.431 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc3c2CCNC3)cc1 ZINC000565543741 504918577 /nfs/dbraw/zinc/91/85/77/504918577.db2.gz LBHUFAFVJHEUSE-UHFFFAOYSA-N 1 3 367.493 3.305 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781839 505008059 /nfs/dbraw/zinc/00/80/59/505008059.db2.gz GLRUXNINTZMFDW-NPPFBWRTSA-N 1 3 369.553 3.473 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781839 505008063 /nfs/dbraw/zinc/00/80/63/505008063.db2.gz GLRUXNINTZMFDW-NPPFBWRTSA-N 1 3 369.553 3.473 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063608 505069794 /nfs/dbraw/zinc/06/97/94/505069794.db2.gz DUPKJRPKNOKMBW-CEXWTWQISA-N 1 3 370.493 3.291 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063608 505069798 /nfs/dbraw/zinc/06/97/98/505069798.db2.gz DUPKJRPKNOKMBW-CEXWTWQISA-N 1 3 370.493 3.291 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000563198418 505073501 /nfs/dbraw/zinc/07/35/01/505073501.db2.gz YPOBJNKZRJSZFR-QFIPXVFZSA-N 1 3 365.521 3.324 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000550623436 505075955 /nfs/dbraw/zinc/07/59/55/505075955.db2.gz YEYWMZGCDKLYEJ-GXTWGEPZSA-N 1 3 372.376 3.114 20 0 FGADHO Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CCCC2)cc1C ZINC000566089340 505077131 /nfs/dbraw/zinc/07/71/31/505077131.db2.gz ZVSORZSDUHPHBP-YZGWKJHDSA-N 1 3 373.541 3.144 20 0 FGADHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CCCC2)cc1C ZINC000566089340 505077137 /nfs/dbraw/zinc/07/71/37/505077137.db2.gz ZVSORZSDUHPHBP-YZGWKJHDSA-N 1 3 373.541 3.144 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000557224078 505095804 /nfs/dbraw/zinc/09/58/04/505095804.db2.gz ZNVSVGRVHYKUFI-TYCQWZJGSA-N 1 3 366.509 3.108 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000563350929 505117081 /nfs/dbraw/zinc/11/70/81/505117081.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000563350929 505117084 /nfs/dbraw/zinc/11/70/84/505117084.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000563350929 505117089 /nfs/dbraw/zinc/11/70/89/505117089.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 1 3 352.526 3.341 20 0 FGADHO Cn1cncc1CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000563350929 505117093 /nfs/dbraw/zinc/11/70/93/505117093.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 1 3 352.526 3.341 20 0 FGADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000560576133 505131089 /nfs/dbraw/zinc/13/10/89/505131089.db2.gz UAKGMNAEUOYOLS-CDVBAKLBSA-N 1 3 369.553 3.180 20 0 FGADHO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(CN(C)C)c1 ZINC000557617205 505183357 /nfs/dbraw/zinc/18/33/57/505183357.db2.gz KGLZAAQJMWRBJV-GOSISDBHSA-N 1 3 361.555 3.213 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483722 505187059 /nfs/dbraw/zinc/18/70/59/505187059.db2.gz WKRKSBRLYRTPKA-VXGBXAGGSA-N 1 3 351.800 3.382 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483722 505187063 /nfs/dbraw/zinc/18/70/63/505187063.db2.gz WKRKSBRLYRTPKA-VXGBXAGGSA-N 1 3 351.800 3.382 20 0 FGADHO CCOc1cc2nccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1OCC ZINC000554523101 505195848 /nfs/dbraw/zinc/19/58/48/505195848.db2.gz IHUZCNFPGXLTLC-OAHLLOKOSA-N 1 3 355.482 3.350 20 0 FGADHO CCOc1cc2nccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2cc1OCC ZINC000554523101 505195853 /nfs/dbraw/zinc/19/58/53/505195853.db2.gz IHUZCNFPGXLTLC-OAHLLOKOSA-N 1 3 355.482 3.350 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cc(C)ccc3C)CC2)CC1 ZINC000563638502 505198999 /nfs/dbraw/zinc/19/89/99/505198999.db2.gz UZXRTHCEDWUNJQ-UHFFFAOYSA-N 1 3 371.569 3.458 20 0 FGADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000563657599 505203390 /nfs/dbraw/zinc/20/33/90/505203390.db2.gz STCRKSGVJAGEFY-UHFFFAOYSA-N 1 3 360.470 3.214 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899036 505209519 /nfs/dbraw/zinc/20/95/19/505209519.db2.gz DGWWHAAFGJRXGP-SJLPKXTDSA-N 1 3 357.523 3.121 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899036 505209522 /nfs/dbraw/zinc/20/95/22/505209522.db2.gz DGWWHAAFGJRXGP-SJLPKXTDSA-N 1 3 357.523 3.121 20 0 FGADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000560917114 505211115 /nfs/dbraw/zinc/21/11/15/505211115.db2.gz FDBUTPWMBHPYDC-KDXIVRHGSA-N 1 3 358.526 3.122 20 0 FGADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000563936791 505281387 /nfs/dbraw/zinc/28/13/87/505281387.db2.gz LHJCRDSUQARYOA-BHDDXSALSA-N 1 3 363.505 3.318 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022180 505288329 /nfs/dbraw/zinc/28/83/29/505288329.db2.gz HWVJMFVFITYAQO-JQVVWYNYSA-N 1 3 369.553 3.087 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915670 505298738 /nfs/dbraw/zinc/29/87/38/505298738.db2.gz XSABMPNPIXLWCT-RTBURBONSA-N 1 3 370.541 3.375 20 0 FGADHO CC(C)CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000564098419 505325942 /nfs/dbraw/zinc/32/59/42/505325942.db2.gz ONPQOEWAAQRZCG-FQEVSTJZSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000564098419 505325946 /nfs/dbraw/zinc/32/59/46/505325946.db2.gz ONPQOEWAAQRZCG-FQEVSTJZSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000561449845 505349360 /nfs/dbraw/zinc/34/93/60/505349360.db2.gz LDYHRHKLYWFYRR-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367552 /nfs/dbraw/zinc/36/75/52/505367552.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367557 /nfs/dbraw/zinc/36/75/57/505367557.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000558403970 505378600 /nfs/dbraw/zinc/37/86/00/505378600.db2.gz UNUWUNFTHDOATE-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccncc2OCCN(C)C)CC1 ZINC000561782962 505436646 /nfs/dbraw/zinc/43/66/46/505436646.db2.gz SGEKILNNTXZSER-NQIIRXRSSA-N 1 3 374.573 3.155 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000567454685 505468062 /nfs/dbraw/zinc/46/80/62/505468062.db2.gz UHUDKBGPKSDUNX-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093060 505516394 /nfs/dbraw/zinc/51/63/94/505516394.db2.gz UWRVKSCZDULSAH-DOMZBBRYSA-N 1 3 368.403 3.271 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093060 505516398 /nfs/dbraw/zinc/51/63/98/505516398.db2.gz UWRVKSCZDULSAH-DOMZBBRYSA-N 1 3 368.403 3.271 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093065 505516692 /nfs/dbraw/zinc/51/66/92/505516692.db2.gz UWRVKSCZDULSAH-SWLSCSKDSA-N 1 3 368.403 3.271 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093065 505516695 /nfs/dbraw/zinc/51/66/95/505516695.db2.gz UWRVKSCZDULSAH-SWLSCSKDSA-N 1 3 368.403 3.271 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680718 505534051 /nfs/dbraw/zinc/53/40/51/505534051.db2.gz CXQJUDOQZIUBOW-UYAOXDASSA-N 1 3 356.510 3.290 20 0 FGADHO C[C@H](OC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848454 505537548 /nfs/dbraw/zinc/53/75/48/505537548.db2.gz FEQFPELSACVEPC-KLIQENQMSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(Cl)cc1 ZINC000564848454 505537550 /nfs/dbraw/zinc/53/75/50/505537550.db2.gz FEQFPELSACVEPC-KLIQENQMSA-N 1 3 354.922 3.241 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000552817734 505559731 /nfs/dbraw/zinc/55/97/31/505559731.db2.gz YSKCPRHPRZBPOA-FQEVSTJZSA-N 1 3 361.530 3.069 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000552817734 505559733 /nfs/dbraw/zinc/55/97/33/505559733.db2.gz YSKCPRHPRZBPOA-FQEVSTJZSA-N 1 3 361.530 3.069 20 0 FGADHO Cc1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000564940194 505562007 /nfs/dbraw/zinc/56/20/07/505562007.db2.gz LNMCCYOWVSEZOV-PXNSSMCTSA-N 1 3 360.546 3.083 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000582732962 506389653 /nfs/dbraw/zinc/38/96/53/506389653.db2.gz WOEUXECZQQYGNE-INIZCTEOSA-N 1 3 354.498 3.050 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)NCC1([NH3+])CCCC1 ZINC000596648961 506510103 /nfs/dbraw/zinc/51/01/03/506510103.db2.gz VACFXYJHLOXAAJ-CYBMUJFWSA-N 1 3 372.294 3.473 20 0 FGADHO [NH3+][C@@H](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000583027604 506548406 /nfs/dbraw/zinc/54/84/06/506548406.db2.gz VMCMXGNXQCYEOO-NRFANRHFSA-N 1 3 367.493 3.062 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604203713 506749856 /nfs/dbraw/zinc/74/98/56/506749856.db2.gz BQWBGQOHJRBOKA-LEWJYISDSA-N 1 3 372.557 3.386 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232605 506849643 /nfs/dbraw/zinc/84/96/43/506849643.db2.gz WKEUWCKZMOSSGD-GOSISDBHSA-N 1 3 367.493 3.193 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000604786646 506942853 /nfs/dbraw/zinc/94/28/53/506942853.db2.gz FRTYDTXKBRCWNC-QUCCMNQESA-N 1 3 361.505 3.027 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN1CCCCC1 ZINC000591073998 507101814 /nfs/dbraw/zinc/10/18/14/507101814.db2.gz WSHALGGFVVAUPB-IBGZPJMESA-N 1 3 373.541 3.156 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN1CCCCC1 ZINC000591073998 507101819 /nfs/dbraw/zinc/10/18/19/507101819.db2.gz WSHALGGFVVAUPB-IBGZPJMESA-N 1 3 373.541 3.156 20 0 FGADHO CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540316 507141315 /nfs/dbraw/zinc/14/13/15/507141315.db2.gz UATSBQPHOWREQE-LJQANCHMSA-N 1 3 362.514 3.181 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000600854957 507148570 /nfs/dbraw/zinc/14/85/70/507148570.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000600854957 507148571 /nfs/dbraw/zinc/14/85/71/507148571.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 1 3 374.573 3.461 20 0 FGADHO COC(=O)c1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000594615574 507215660 /nfs/dbraw/zinc/21/56/60/507215660.db2.gz PUUICJJRPAFHRT-UHFFFAOYSA-N 1 3 356.466 3.376 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045986 507241235 /nfs/dbraw/zinc/24/12/35/507241235.db2.gz ZAHJGPSWJLOCOA-OALUTQOASA-N 1 3 371.569 3.176 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000591543927 507285064 /nfs/dbraw/zinc/28/50/64/507285064.db2.gz RICHQMCFATZDFF-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000591543927 507285067 /nfs/dbraw/zinc/28/50/67/507285067.db2.gz RICHQMCFATZDFF-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591554163 507289536 /nfs/dbraw/zinc/28/95/36/507289536.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)N(C)C1CC1 ZINC000591554163 507289543 /nfs/dbraw/zinc/28/95/43/507289543.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572874 507298587 /nfs/dbraw/zinc/29/85/87/507298587.db2.gz RCTRWABUPBKSKK-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000584399072 507324563 /nfs/dbraw/zinc/32/45/63/507324563.db2.gz OIWUDVBFICBZLR-HXUWFJFHSA-N 1 3 358.530 3.210 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000584588334 507428063 /nfs/dbraw/zinc/42/80/63/507428063.db2.gz BDBKXMXQOYAMNG-HMXCVIKNSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000584588334 507428069 /nfs/dbraw/zinc/42/80/69/507428069.db2.gz BDBKXMXQOYAMNG-HMXCVIKNSA-N 1 3 357.542 3.060 20 0 FGADHO FC(F)C(F)(F)COCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450808 /nfs/dbraw/zinc/45/08/08/507450808.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 1 3 374.422 3.357 20 0 FGADHO FC(F)C(F)(F)COCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450811 /nfs/dbraw/zinc/45/08/11/507450811.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 1 3 374.422 3.357 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)N(C)C ZINC000592450457 507661185 /nfs/dbraw/zinc/66/11/85/507661185.db2.gz BESQEIGCXPDRGI-LVCYWYKZSA-N 1 3 359.558 3.367 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)N(C)C ZINC000592450457 507661189 /nfs/dbraw/zinc/66/11/89/507661189.db2.gz BESQEIGCXPDRGI-LVCYWYKZSA-N 1 3 359.558 3.367 20 0 FGADHO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607244250 507668550 /nfs/dbraw/zinc/66/85/50/507668550.db2.gz PGOBHDLXANRKIU-HXUWFJFHSA-N 1 3 362.562 3.217 20 0 FGADHO CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465335 507719036 /nfs/dbraw/zinc/71/90/36/507719036.db2.gz PQQMGZAEKJMLLO-GOSISDBHSA-N 1 3 355.448 3.003 20 0 FGADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465335 507719042 /nfs/dbraw/zinc/71/90/42/507719042.db2.gz PQQMGZAEKJMLLO-GOSISDBHSA-N 1 3 355.448 3.003 20 0 FGADHO CCOC(=O)CC1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000595876527 507723057 /nfs/dbraw/zinc/72/30/57/507723057.db2.gz KAQWSIUXULZUIC-UHFFFAOYSA-N 1 3 374.525 3.265 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C)CC1 ZINC000618173823 568520330 /nfs/dbraw/zinc/52/03/30/568520330.db2.gz AWIDAXMSIHUWTI-UHFFFAOYSA-N 1 3 365.949 3.352 20 0 FGADHO CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736453901 599319804 /nfs/dbraw/zinc/31/98/04/599319804.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736453901 599319806 /nfs/dbraw/zinc/31/98/06/599319806.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736453901 599319811 /nfs/dbraw/zinc/31/98/11/599319811.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 1 3 356.518 3.372 20 0 FGADHO CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736453901 599319814 /nfs/dbraw/zinc/31/98/14/599319814.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 1 3 356.518 3.372 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000047883613 695870215 /nfs/dbraw/zinc/87/02/15/695870215.db2.gz WCSZRNBIMOIWQJ-QGZVFWFLSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC1CC[NH+](CC[C@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC000124827617 700725488 /nfs/dbraw/zinc/72/54/88/700725488.db2.gz PVMRHUCXSDSFLK-GOSISDBHSA-N 1 3 353.551 3.440 20 0 FGADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CN1CCCC1 ZINC000237514681 713592883 /nfs/dbraw/zinc/59/28/83/713592883.db2.gz NQZZGDJOOJMVPF-CSNJMZFVSA-N 1 3 351.535 3.238 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921340 713614123 /nfs/dbraw/zinc/61/41/23/713614123.db2.gz HBCSVIQYIQSOFI-SQNIBIBYSA-N 1 3 353.551 3.390 20 0 FGADHO O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1(F)F ZINC000414299996 714003941 /nfs/dbraw/zinc/00/39/41/714003941.db2.gz LDAAJZRYPXZFIN-QXCZDIPSSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1(F)F ZINC000414299996 714003945 /nfs/dbraw/zinc/00/39/45/714003945.db2.gz LDAAJZRYPXZFIN-QXCZDIPSSA-N 1 3 350.453 3.035 20 0 FGADHO O[C@@H]1[C@@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1(F)F ZINC000414299996 714003948 /nfs/dbraw/zinc/00/39/48/714003948.db2.gz LDAAJZRYPXZFIN-QXCZDIPSSA-N 1 3 350.453 3.035 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414933975 714006010 /nfs/dbraw/zinc/00/60/10/714006010.db2.gz XMARLJIKLVFMDC-DYEKYZERSA-N 1 3 359.392 3.162 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000617507457 714663438 /nfs/dbraw/zinc/66/34/38/714663438.db2.gz XJJNKRVSQBBUMW-AWEZNQCLSA-N 1 3 371.928 3.145 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000617507457 714663444 /nfs/dbraw/zinc/66/34/44/714663444.db2.gz XJJNKRVSQBBUMW-AWEZNQCLSA-N 1 3 371.928 3.145 20 0 FGADHO CC1CCN([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641146 715013509 /nfs/dbraw/zinc/01/35/09/715013509.db2.gz BESPDYUHRMHKBH-ZWKOTPCHSA-N 1 3 363.571 3.417 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000629519698 716302806 /nfs/dbraw/zinc/30/28/06/716302806.db2.gz CIPYEHUPDSYUED-OAHLLOKOSA-N 1 3 361.486 3.424 20 0 FGADHO CC(C)c1nc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000634703483 717109027 /nfs/dbraw/zinc/10/90/27/717109027.db2.gz WZSBVSCGRLURSW-FQEVSTJZSA-N 1 3 359.539 3.036 20 0 FGADHO CC(C)c1nc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000634703483 717109030 /nfs/dbraw/zinc/10/90/30/717109030.db2.gz WZSBVSCGRLURSW-FQEVSTJZSA-N 1 3 359.539 3.036 20 0 FGADHO COc1cc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)sn1 ZINC000638335301 717435658 /nfs/dbraw/zinc/43/56/58/717435658.db2.gz LGZWAHMWHLSVLG-GJZGRUSLSA-N 1 3 361.511 3.051 20 0 FGADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000645118270 718183902 /nfs/dbraw/zinc/18/39/02/718183902.db2.gz NZKIAFUPVYDDGG-DLBZAZTESA-N 1 3 364.559 3.011 20 0 FGADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645118270 718183905 /nfs/dbraw/zinc/18/39/05/718183905.db2.gz NZKIAFUPVYDDGG-DLBZAZTESA-N 1 3 364.559 3.011 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976895 718391361 /nfs/dbraw/zinc/39/13/61/718391361.db2.gz VWOUOOFYKDMNEE-GVDBMIGSSA-N 1 3 363.933 3.229 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976292 718391438 /nfs/dbraw/zinc/39/14/38/718391438.db2.gz MOTVEDLHFCAIAU-HUUCEWRRSA-N 1 3 369.962 3.072 20 0 FGADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980513 718391968 /nfs/dbraw/zinc/39/19/68/718391968.db2.gz QZNVLVSVNACZHJ-MCIONIFRSA-N 1 3 370.324 3.102 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723390 718720825 /nfs/dbraw/zinc/72/08/25/718720825.db2.gz NFNCZGRVGRYQNC-NJAFHUGGSA-N 1 3 358.511 3.066 20 0 FGADHO CN(Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388899 718815345 /nfs/dbraw/zinc/81/53/45/718815345.db2.gz RJVLZXUDDPRFPG-QGZVFWFLSA-N 1 3 368.447 3.187 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191351 718921878 /nfs/dbraw/zinc/92/18/78/718921878.db2.gz RYJQLSLGISTXLF-KRWDZBQOSA-N 1 3 366.937 3.151 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349450 718935156 /nfs/dbraw/zinc/93/51/56/718935156.db2.gz OYGLSVIDZIOCFS-JOQOYGCGSA-N 1 3 356.869 3.076 20 0 FGADHO Cc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654857712 719240735 /nfs/dbraw/zinc/24/07/35/719240735.db2.gz CFWARYQESFTSPD-GOSISDBHSA-N 1 3 361.555 3.213 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655707774 719328162 /nfs/dbraw/zinc/32/81/62/719328162.db2.gz CNPPQEKZZBYPKV-WMZOPIPTSA-N 1 3 352.544 3.017 20 0 FGADHO CSc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664808537 720693185 /nfs/dbraw/zinc/69/31/85/720693185.db2.gz DOVBVCVNGJGCFL-HOTGVXAUSA-N 1 3 366.575 3.041 20 0 FGADHO CSc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664808537 720693190 /nfs/dbraw/zinc/69/31/90/720693190.db2.gz DOVBVCVNGJGCFL-HOTGVXAUSA-N 1 3 366.575 3.041 20 0 FGADHO CSc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664814617 720693790 /nfs/dbraw/zinc/69/37/90/720693790.db2.gz DOVBVCVNGJGCFL-JKSUJKDBSA-N 1 3 366.575 3.041 20 0 FGADHO CSc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664814617 720693792 /nfs/dbraw/zinc/69/37/92/720693792.db2.gz DOVBVCVNGJGCFL-JKSUJKDBSA-N 1 3 366.575 3.041 20 0 FGADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CC2CCOCC2)cc1F ZINC000665259402 720748140 /nfs/dbraw/zinc/74/81/40/720748140.db2.gz FDBFYULLAUKSQA-LJHODMEESA-N 1 3 350.478 3.075 20 0 FGADHO CSc1cccc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666737305 720972488 /nfs/dbraw/zinc/97/24/88/720972488.db2.gz HBAZUCQNAXIPDM-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO CSc1cccc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666737305 720972491 /nfs/dbraw/zinc/97/24/91/720972491.db2.gz HBAZUCQNAXIPDM-HNNXBMFYSA-N 1 3 352.548 3.110 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995205 721010725 /nfs/dbraw/zinc/01/07/25/721010725.db2.gz GHLWTRBSVNCJKX-MAUKXSAKSA-N 1 3 363.933 3.341 20 0 FGADHO CCOc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000667177402 721046245 /nfs/dbraw/zinc/04/62/45/721046245.db2.gz QTTXXLLRQHRYJM-AWEZNQCLSA-N 1 3 370.925 3.132 20 0 FGADHO CCOc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000667177402 721046249 /nfs/dbraw/zinc/04/62/49/721046249.db2.gz QTTXXLLRQHRYJM-AWEZNQCLSA-N 1 3 370.925 3.132 20 0 FGADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876418 721777200 /nfs/dbraw/zinc/77/72/00/721777200.db2.gz WRDXJSAQYHBQAR-OLZOCXBDSA-N 1 3 372.376 3.330 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766272460 723565387 /nfs/dbraw/zinc/56/53/87/723565387.db2.gz JEBAUUHYZQVXJG-HZPDHXFCSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766272460 723565389 /nfs/dbraw/zinc/56/53/89/723565389.db2.gz JEBAUUHYZQVXJG-HZPDHXFCSA-N 1 3 351.922 3.151 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCCC3)CC[C@H]21 ZINC000795126449 723565592 /nfs/dbraw/zinc/56/55/92/723565592.db2.gz WJRBJCJIGHDRSD-ZWKOTPCHSA-N 1 3 351.535 3.194 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCCC3)CC[C@H]21 ZINC000795126449 723565594 /nfs/dbraw/zinc/56/55/94/723565594.db2.gz WJRBJCJIGHDRSD-ZWKOTPCHSA-N 1 3 351.535 3.194 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766273320 723565722 /nfs/dbraw/zinc/56/57/22/723565722.db2.gz OZQFQDNADCOQHK-ZIAGYGMSSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766273320 723565723 /nfs/dbraw/zinc/56/57/23/723565723.db2.gz OZQFQDNADCOQHK-ZIAGYGMSSA-N 1 3 368.319 3.240 20 0 FGADHO Ic1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000775022916 723953182 /nfs/dbraw/zinc/95/31/82/723953182.db2.gz IKUBHPDLODDTIW-UHFFFAOYSA-N 1 3 370.278 3.255 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000775031809 723954170 /nfs/dbraw/zinc/95/41/70/723954170.db2.gz TZBSPJQPFIRBIU-MSOLQXFVSA-N 1 3 367.331 3.225 20 0 FGADHO CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000799360592 724018148 /nfs/dbraw/zinc/01/81/48/724018148.db2.gz OXDIFKPGCOWFFI-GOSISDBHSA-N 1 3 353.551 3.489 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157440 725118692 /nfs/dbraw/zinc/11/86/92/725118692.db2.gz FVOGJLGYFPLEBK-WMZOPIPTSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157440 725118696 /nfs/dbraw/zinc/11/86/96/725118696.db2.gz FVOGJLGYFPLEBK-WMZOPIPTSA-N 1 3 357.885 3.079 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3cnn(C)c3Cl)CC2)cc1 ZINC000815120656 727041168 /nfs/dbraw/zinc/04/11/68/727041168.db2.gz LOJLVVHIKLYDPT-UHFFFAOYSA-N 1 3 362.905 3.084 20 0 FGADHO CCCCN1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819043135 727341150 /nfs/dbraw/zinc/34/11/50/727341150.db2.gz PRWSWCUNGKGJQJ-QGZVFWFLSA-N 1 3 360.420 3.473 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000819341947 727369309 /nfs/dbraw/zinc/36/93/09/727369309.db2.gz NDUNEAMFSQEVON-LJQANCHMSA-N 1 3 363.571 3.394 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465423 729283194 /nfs/dbraw/zinc/28/31/94/729283194.db2.gz YBRDNZXHMOTDCC-ZWKOTPCHSA-N 1 3 353.551 3.201 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000828048815 729439211 /nfs/dbraw/zinc/43/92/11/729439211.db2.gz GPWWPKORKTYBKO-UHFFFAOYSA-N 1 3 355.507 3.255 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137925 729620636 /nfs/dbraw/zinc/62/06/36/729620636.db2.gz FIFLAIBPGDSNGA-IRXDYDNUSA-N 1 3 368.953 3.306 20 0 FGADHO C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000845928757 730910289 /nfs/dbraw/zinc/91/02/89/730910289.db2.gz QLRRBZYERVAJJG-WWDZGPRUSA-N 1 3 353.551 3.391 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC1(Br)CC1 ZINC000846814214 730983414 /nfs/dbraw/zinc/98/34/14/730983414.db2.gz OGUPTIJYUFGTIV-UHFFFAOYSA-N 1 3 372.395 3.042 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057448 731224918 /nfs/dbraw/zinc/22/49/18/731224918.db2.gz KYWHWZGGWOVTEQ-KRWDZBQOSA-N 1 3 357.527 3.217 20 0 FGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000859213302 732290885 /nfs/dbraw/zinc/29/08/85/732290885.db2.gz GGQKEVOGSKIOKD-IBGZPJMESA-N 1 3 362.901 3.273 20 0 FGADHO CCN1CCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438039 733201280 /nfs/dbraw/zinc/20/12/80/733201280.db2.gz XWNVUKHBXGBUGK-KGLIPLIRSA-N 1 3 367.456 3.154 20 0 FGADHO [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1)C1CCCC1 ZINC000877443580 736219692 /nfs/dbraw/zinc/21/96/92/736219692.db2.gz DYPJJASRIJLBIU-PBHICJAKSA-N 1 3 361.555 3.154 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000883361320 737558552 /nfs/dbraw/zinc/55/85/52/737558552.db2.gz ZQBXVYRYPBEVQE-AEGPPILISA-N 1 3 366.374 3.045 20 0 FGADHO Cc1csc(C[C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000886692144 739285438 /nfs/dbraw/zinc/28/54/38/739285438.db2.gz SQZKRWXCPFPJOT-IBGZPJMESA-N 1 3 364.603 3.122 20 0 FGADHO Cc1csc(C[C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000886692144 739285440 /nfs/dbraw/zinc/28/54/40/739285440.db2.gz SQZKRWXCPFPJOT-IBGZPJMESA-N 1 3 364.603 3.122 20 0 FGADHO C[NH+](C)CC[C@@H](NC1CCN(CCC(F)(F)F)CC1)c1cccnc1 ZINC000903380140 743843008 /nfs/dbraw/zinc/84/30/08/743843008.db2.gz KRAIUHJNNLIDAC-QGZVFWFLSA-N 1 3 358.452 3.081 20 0 FGADHO [NH3+][C@H](CC(F)F)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906806 743895207 /nfs/dbraw/zinc/89/52/07/743895207.db2.gz ZDKNARCAXOMYOC-OAHLLOKOSA-N 1 3 365.390 3.196 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388223 758910428 /nfs/dbraw/zinc/91/04/28/758910428.db2.gz NOGKSPHJYYJBDP-XSYGEPLQSA-N 1 3 363.571 3.370 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388223 758910430 /nfs/dbraw/zinc/91/04/30/758910430.db2.gz NOGKSPHJYYJBDP-XSYGEPLQSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392061 758912899 /nfs/dbraw/zinc/91/28/99/758912899.db2.gz AZFZXNTVAQEXHY-MLYOOKFZSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392061 758912903 /nfs/dbraw/zinc/91/29/03/758912903.db2.gz AZFZXNTVAQEXHY-MLYOOKFZSA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392059 758912921 /nfs/dbraw/zinc/91/29/21/758912921.db2.gz AZFZXNTVAQEXHY-FTEYMNFISA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392059 758912923 /nfs/dbraw/zinc/91/29/23/758912923.db2.gz AZFZXNTVAQEXHY-FTEYMNFISA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394728 758913793 /nfs/dbraw/zinc/91/37/93/758913793.db2.gz SERXVTCKJTVSEF-VXIBKDFQSA-N 1 3 351.560 3.226 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394728 758913795 /nfs/dbraw/zinc/91/37/95/758913795.db2.gz SERXVTCKJTVSEF-VXIBKDFQSA-N 1 3 351.560 3.226 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395337 758913805 /nfs/dbraw/zinc/91/38/05/758913805.db2.gz VMRVIQOTTLAANZ-FPAYPSAMSA-N 1 3 356.432 3.063 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395337 758913810 /nfs/dbraw/zinc/91/38/10/758913810.db2.gz VMRVIQOTTLAANZ-FPAYPSAMSA-N 1 3 356.432 3.063 20 0 FGADHO C[C@@H](c1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449340 759120763 /nfs/dbraw/zinc/12/07/63/759120763.db2.gz MKZRGLOWMAXPAX-UONOGXRCSA-N 1 3 353.304 3.340 20 0 FGADHO C[C@@H](c1cccc(Br)c1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452393 759120991 /nfs/dbraw/zinc/12/09/91/759120991.db2.gz QLGXTXYTFMDBRL-XJKSGUPXSA-N 1 3 353.304 3.340 20 0 FGADHO COc1cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)ccc1OC(F)F ZINC000925779406 759536108 /nfs/dbraw/zinc/53/61/08/759536108.db2.gz NBAOESPELREVAR-CMPLNLGQSA-N 1 3 350.356 3.192 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925777859 759536601 /nfs/dbraw/zinc/53/66/01/759536601.db2.gz QZKJAGRXZZHMEA-XYPHTWIQSA-N 1 3 352.425 3.003 20 0 FGADHO CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000926739399 759813303 /nfs/dbraw/zinc/81/33/03/759813303.db2.gz RFTHRRGIALDRNQ-AOCRQIFASA-N 1 3 351.535 3.001 20 0 FGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000926871074 759834823 /nfs/dbraw/zinc/83/48/23/759834823.db2.gz NAIYKCLRRXAWOS-HXUWFJFHSA-N 1 3 352.563 3.452 20 0 FGADHO C[N@@H+]1CCCC12CCN(C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC000930170973 760544198 /nfs/dbraw/zinc/54/41/98/760544198.db2.gz JCVZNMDQTXMIIN-SJORKVTESA-N 1 3 351.535 3.240 20 0 FGADHO C[N@H+]1CCCC12CCN(C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC000930170973 760544210 /nfs/dbraw/zinc/54/42/10/760544210.db2.gz JCVZNMDQTXMIIN-SJORKVTESA-N 1 3 351.535 3.240 20 0 FGADHO Cc1cccc(Cl)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189046 765144425 /nfs/dbraw/zinc/14/44/25/765144425.db2.gz GSTRTGQDXWHCQB-IXDOHACOSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1cccc(Cl)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189046 765144437 /nfs/dbraw/zinc/14/44/37/765144437.db2.gz GSTRTGQDXWHCQB-IXDOHACOSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020174527 765867013 /nfs/dbraw/zinc/86/70/13/765867013.db2.gz DTWWDKBMTHIKEX-NDVSXACPSA-N 1 3 363.933 3.368 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001020174527 765867019 /nfs/dbraw/zinc/86/70/19/765867019.db2.gz DTWWDKBMTHIKEX-NDVSXACPSA-N 1 3 363.933 3.368 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028552027 766125042 /nfs/dbraw/zinc/12/50/42/766125042.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028552027 766125046 /nfs/dbraw/zinc/12/50/46/766125046.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 1 3 363.933 3.008 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161341 503694582 /nfs/dbraw/zinc/69/45/82/503694582.db2.gz SQIOAZUVPPABDG-BHIFYINESA-N 1 3 370.537 3.356 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609097 505577239 /nfs/dbraw/zinc/57/72/39/505577239.db2.gz SUUKTLNJTRQMFY-FVJLSDCUSA-N 1 3 357.542 3.136 20 0 FGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000573647698 505585946 /nfs/dbraw/zinc/58/59/46/505585946.db2.gz RDIKGIBOFOLBGA-QIPHDZALSA-N 1 3 368.468 3.374 20 0 FGADHO CC(C)OC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000570870886 505599829 /nfs/dbraw/zinc/59/98/29/505599829.db2.gz PXLXDPQQLRUHDD-CTNGQTDRSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870886 505599833 /nfs/dbraw/zinc/59/98/33/505599833.db2.gz PXLXDPQQLRUHDD-CTNGQTDRSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870886 505599836 /nfs/dbraw/zinc/59/98/36/505599836.db2.gz PXLXDPQQLRUHDD-CTNGQTDRSA-N 1 3 360.542 3.318 20 0 FGADHO [NH3+]C1CCC(N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000573815796 505627533 /nfs/dbraw/zinc/62/75/33/505627533.db2.gz ITJDSTCRIUUJMC-OFLPRAFFSA-N 1 3 369.431 3.228 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]CC3(O)CCC(C)CC3)CC2)cc1 ZINC000573914232 505649777 /nfs/dbraw/zinc/64/97/77/505649777.db2.gz WATKEUVVVCXJOO-UHFFFAOYSA-N 1 3 360.542 3.438 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000577129116 505669631 /nfs/dbraw/zinc/66/96/31/505669631.db2.gz VKMUNDJNGGAMQC-AWEZNQCLSA-N 1 3 372.376 3.115 20 0 FGADHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OCc1cccnc1 ZINC000030906888 493912402 /nfs/dbraw/zinc/91/24/02/493912402.db2.gz AJUSGOSKDDMGRK-SFHVURJKSA-N 1 3 367.493 3.243 20 0 FGADHO CC(C)N1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000069765570 494008553 /nfs/dbraw/zinc/00/85/53/494008553.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 1 3 360.546 3.153 20 0 FGADHO CC(C)N1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000069765570 494008555 /nfs/dbraw/zinc/00/85/55/494008555.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 1 3 360.546 3.153 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000077450004 494085687 /nfs/dbraw/zinc/08/56/87/494085687.db2.gz CORJEKHKCAOWRS-UHFFFAOYSA-N 1 3 362.420 3.303 20 0 FGADHO CCCN1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000036804276 494098229 /nfs/dbraw/zinc/09/82/29/494098229.db2.gz QUVDKGXJTSNVOK-UHFFFAOYSA-N 1 3 355.276 3.142 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000085389950 494119287 /nfs/dbraw/zinc/11/92/87/494119287.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 1 3 360.546 3.008 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000085389950 494119290 /nfs/dbraw/zinc/11/92/90/494119290.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 1 3 360.546 3.008 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000077779856 494176126 /nfs/dbraw/zinc/17/61/26/494176126.db2.gz BNGCQQLZNISJEM-GOSISDBHSA-N 1 3 366.525 3.048 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000089215213 494273758 /nfs/dbraw/zinc/27/37/58/494273758.db2.gz QZKHTAKJIHRPLE-MRXNPFEDSA-N 1 3 353.466 3.420 20 0 FGADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501007 505710906 /nfs/dbraw/zinc/71/09/06/505710906.db2.gz NYQAWPRKQXLLMV-KRWDZBQOSA-N 1 3 356.432 3.172 20 0 FGADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501007 505710908 /nfs/dbraw/zinc/71/09/08/505710908.db2.gz NYQAWPRKQXLLMV-KRWDZBQOSA-N 1 3 356.432 3.172 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000073017123 494306525 /nfs/dbraw/zinc/30/65/25/494306525.db2.gz VRDBERRLSRXHTB-UHFFFAOYSA-N 1 3 372.557 3.187 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512106 505712838 /nfs/dbraw/zinc/71/28/38/505712838.db2.gz FXPGKAWOLMONGM-MCPWVCTESA-N 1 3 368.308 3.158 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000078625623 494333070 /nfs/dbraw/zinc/33/30/70/494333070.db2.gz IZZBOAMMAOSGLI-BBTUJRGHSA-N 1 3 357.542 3.324 20 0 FGADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccccc1 ZINC000079121646 494406312 /nfs/dbraw/zinc/40/63/12/494406312.db2.gz GHJVGNSAELDYBB-NRFANRHFSA-N 1 3 368.525 3.063 20 0 FGADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795134 494430278 /nfs/dbraw/zinc/43/02/78/494430278.db2.gz IPAVSIAYXVNTDI-IAGOWNOFSA-N 1 3 366.575 3.257 20 0 FGADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795134 494430280 /nfs/dbraw/zinc/43/02/80/494430280.db2.gz IPAVSIAYXVNTDI-IAGOWNOFSA-N 1 3 366.575 3.257 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000073897536 494444433 /nfs/dbraw/zinc/44/44/33/494444433.db2.gz UXZQGMSPXOLYNP-UXHICEINSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000073897536 494444436 /nfs/dbraw/zinc/44/44/36/494444436.db2.gz UXZQGMSPXOLYNP-UXHICEINSA-N 1 3 360.546 3.114 20 0 FGADHO COc1ccc(-c2ccccc2C)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574204536 505719683 /nfs/dbraw/zinc/71/96/83/505719683.db2.gz KKUADEBPAQENLD-OAQYLSRUSA-N 1 3 365.521 3.150 20 0 FGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000090523147 494477850 /nfs/dbraw/zinc/47/78/50/494477850.db2.gz PYJVVCBKOYFVOK-UXPWSPDFSA-N 1 3 374.525 3.266 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074323717 494519581 /nfs/dbraw/zinc/51/95/81/494519581.db2.gz CVWXJHSWYAGEFV-QGZVFWFLSA-N 1 3 369.509 3.298 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074323717 494519585 /nfs/dbraw/zinc/51/95/85/494519585.db2.gz CVWXJHSWYAGEFV-QGZVFWFLSA-N 1 3 369.509 3.298 20 0 FGADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074447605 494539590 /nfs/dbraw/zinc/53/95/90/494539590.db2.gz KSTZNSXOJXYQQR-QFIPXVFZSA-N 1 3 365.521 3.485 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796643 494564712 /nfs/dbraw/zinc/56/47/12/494564712.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796643 494564717 /nfs/dbraw/zinc/56/47/17/494564717.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000115785783 494622326 /nfs/dbraw/zinc/62/23/26/494622326.db2.gz QKZQWNJTUUNPFB-ICSRJNTNSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785783 494622333 /nfs/dbraw/zinc/62/23/33/494622333.db2.gz QKZQWNJTUUNPFB-ICSRJNTNSA-N 1 3 360.546 3.053 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000092615838 494687366 /nfs/dbraw/zinc/68/73/66/494687366.db2.gz DRQQFYZPTBRSEY-UHFFFAOYSA-N 1 3 371.550 3.305 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616928 494748942 /nfs/dbraw/zinc/74/89/42/494748942.db2.gz PELLDUHGPMFAFK-SJLPKXTDSA-N 1 3 356.514 3.006 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000080616928 494748951 /nfs/dbraw/zinc/74/89/51/494748951.db2.gz PELLDUHGPMFAFK-SJLPKXTDSA-N 1 3 356.514 3.006 20 0 FGADHO C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821042 494763247 /nfs/dbraw/zinc/76/32/47/494763247.db2.gz NBLOTFBOFZMVNK-GOSISDBHSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821042 494763255 /nfs/dbraw/zinc/76/32/55/494763255.db2.gz NBLOTFBOFZMVNK-GOSISDBHSA-N 1 3 358.530 3.021 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000116434596 494784824 /nfs/dbraw/zinc/78/48/24/494784824.db2.gz FFSIGEFYWBWTOP-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491003 494799356 /nfs/dbraw/zinc/79/93/56/494799356.db2.gz JBAFSRAPWCVEBA-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491003 494799360 /nfs/dbraw/zinc/79/93/60/494799360.db2.gz JBAFSRAPWCVEBA-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116529780 494808673 /nfs/dbraw/zinc/80/86/73/494808673.db2.gz UZAOJUMYKSARKB-RTBURBONSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)C[NH+](C)C ZINC000132104983 494820772 /nfs/dbraw/zinc/82/07/72/494820772.db2.gz IRRQUKMEFWBHBK-ZDUSSCGKSA-N 1 3 370.335 3.344 20 0 FGADHO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000126741588 494829715 /nfs/dbraw/zinc/82/97/15/494829715.db2.gz RTBPVIOPYCKDCG-GOSISDBHSA-N 1 3 355.530 3.062 20 0 FGADHO CN(c1ccccc1CN1CCN(C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000126973580 494871743 /nfs/dbraw/zinc/87/17/43/494871743.db2.gz BLYJYGHTXDFYNV-UHFFFAOYSA-N 1 3 370.585 3.277 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093742259 494915920 /nfs/dbraw/zinc/91/59/20/494915920.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 1 3 372.601 3.381 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093742259 494915921 /nfs/dbraw/zinc/91/59/21/494915921.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 1 3 372.601 3.381 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786182 494917940 /nfs/dbraw/zinc/91/79/40/494917940.db2.gz YHGNZMYMQMEOIV-KRWDZBQOSA-N 1 3 374.447 3.251 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786182 494917945 /nfs/dbraw/zinc/91/79/45/494917945.db2.gz YHGNZMYMQMEOIV-KRWDZBQOSA-N 1 3 374.447 3.251 20 0 FGADHO CCn1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000093844293 494927317 /nfs/dbraw/zinc/92/73/17/494927317.db2.gz BTCCQKZDQRXVPB-IAGOWNOFSA-N 1 3 362.562 3.231 20 0 FGADHO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000132828200 494930416 /nfs/dbraw/zinc/93/04/16/494930416.db2.gz TZMVCFSVBBDTEZ-QGZVFWFLSA-N 1 3 373.566 3.397 20 0 FGADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924901 494933627 /nfs/dbraw/zinc/93/36/27/494933627.db2.gz QYDFIGSELPWSMA-OAQYLSRUSA-N 1 3 355.526 3.174 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132974414 494951173 /nfs/dbraw/zinc/95/11/73/494951173.db2.gz JVEXLDDVVREIRX-PKOBYXMFSA-N 1 3 368.525 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132974414 494951176 /nfs/dbraw/zinc/95/11/76/494951176.db2.gz JVEXLDDVVREIRX-PKOBYXMFSA-N 1 3 368.525 3.332 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000127516910 494955440 /nfs/dbraw/zinc/95/54/40/494955440.db2.gz PCEAUFQNPAFNNU-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144380 495061996 /nfs/dbraw/zinc/06/19/96/495061996.db2.gz FEOKPVRXIBNEMH-HOCLYGCPSA-N 1 3 360.420 3.329 20 0 FGADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)Cc1ccccc1 ZINC000111445474 495075551 /nfs/dbraw/zinc/07/55/51/495075551.db2.gz UWJYWLPFRADPHP-INIZCTEOSA-N 1 3 360.546 3.115 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000123170476 495091142 /nfs/dbraw/zinc/09/11/42/495091142.db2.gz BKYHENRKSPHCRY-UHFFFAOYSA-N 1 3 372.557 3.276 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000134150793 495113468 /nfs/dbraw/zinc/11/34/68/495113468.db2.gz OZGCEEPQXLMEGO-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000134150793 495113472 /nfs/dbraw/zinc/11/34/72/495113472.db2.gz OZGCEEPQXLMEGO-FPOVZHCZSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119425445 495164570 /nfs/dbraw/zinc/16/45/70/495164570.db2.gz BQCJEXPOERXPOK-UONOGXRCSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119425445 495164572 /nfs/dbraw/zinc/16/45/72/495164572.db2.gz BQCJEXPOERXPOK-UONOGXRCSA-N 1 3 369.431 3.496 20 0 FGADHO CCC[C@@H](C)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545733 495187906 /nfs/dbraw/zinc/18/79/06/495187906.db2.gz NMOIDISFUJMMIY-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC(C)(C)C1 ZINC000112701621 495226244 /nfs/dbraw/zinc/22/62/44/495226244.db2.gz XJKBKNKTLIAXJW-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CC[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000103433084 495231359 /nfs/dbraw/zinc/23/13/59/495231359.db2.gz RZMFAGYCWIEBTP-SFHVURJKSA-N 1 3 357.542 3.245 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742438 495233934 /nfs/dbraw/zinc/23/39/34/495233934.db2.gz HHSZXXIYZISYJE-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742438 495233939 /nfs/dbraw/zinc/23/39/39/495233939.db2.gz HHSZXXIYZISYJE-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112740591 495234209 /nfs/dbraw/zinc/23/42/09/495234209.db2.gz YYKQBXCLBZBTDV-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103612749 495250050 /nfs/dbraw/zinc/25/00/50/495250050.db2.gz KZFXAAOAJZFLKW-NRFANRHFSA-N 1 3 372.557 3.115 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000105207783 495345687 /nfs/dbraw/zinc/34/56/87/495345687.db2.gz IKAMMFQSAMXRCN-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C2CCCC2)CC1 ZINC000114455848 495377171 /nfs/dbraw/zinc/37/71/71/495377171.db2.gz VHQZBSSSQAEYIU-UHFFFAOYSA-N 1 3 371.569 3.463 20 0 FGADHO Cc1nc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000125083817 495389128 /nfs/dbraw/zinc/38/91/28/495389128.db2.gz KQMZSCRSQPOZRN-HZPDHXFCSA-N 1 3 351.560 3.205 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000568799724 505779460 /nfs/dbraw/zinc/77/94/60/505779460.db2.gz DJWFTEHBGCNBDY-KRWDZBQOSA-N 1 3 367.484 3.280 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000568799724 505779466 /nfs/dbraw/zinc/77/94/66/505779466.db2.gz DJWFTEHBGCNBDY-KRWDZBQOSA-N 1 3 367.484 3.280 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3cnccn3)CC2)c1 ZINC000125329014 495427267 /nfs/dbraw/zinc/42/72/67/495427267.db2.gz URFHDQJBZUYGHD-IBGZPJMESA-N 1 3 353.514 3.038 20 0 FGADHO CN(CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000137478059 495442691 /nfs/dbraw/zinc/44/26/91/495442691.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CN(CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000137478059 495442694 /nfs/dbraw/zinc/44/26/94/495442694.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 1 3 357.420 3.308 20 0 FGADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)N(C)C ZINC000106922380 495512600 /nfs/dbraw/zinc/51/26/00/495512600.db2.gz SNWNICHFIZDBAG-IBGZPJMESA-N 1 3 365.949 3.254 20 0 FGADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000106922380 495512606 /nfs/dbraw/zinc/51/26/06/495512606.db2.gz SNWNICHFIZDBAG-IBGZPJMESA-N 1 3 365.949 3.254 20 0 FGADHO CN1CCC[N@H+](CCCNCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115616686 495521480 /nfs/dbraw/zinc/52/14/80/495521480.db2.gz URINNQRWDMTVSO-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115616686 495521481 /nfs/dbraw/zinc/52/14/81/495521481.db2.gz URINNQRWDMTVSO-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000173618796 495617672 /nfs/dbraw/zinc/61/76/72/495617672.db2.gz WPYGUCCJXRGGPM-HOTGVXAUSA-N 1 3 357.498 3.461 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000182564011 495617752 /nfs/dbraw/zinc/61/77/52/495617752.db2.gz GKNDEGKHVVRBOH-GUDVDZBRSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000182564011 495617753 /nfs/dbraw/zinc/61/77/53/495617753.db2.gz GKNDEGKHVVRBOH-GUDVDZBRSA-N 1 3 364.578 3.059 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000182591102 495627315 /nfs/dbraw/zinc/62/73/15/495627315.db2.gz FXIOUZSBRDOTGI-GOSISDBHSA-N 1 3 368.949 3.442 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154482907 495629934 /nfs/dbraw/zinc/62/99/34/495629934.db2.gz YVIUCBNSCBTWBD-INIZCTEOSA-N 1 3 355.473 3.356 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681637 495646447 /nfs/dbraw/zinc/64/64/47/495646447.db2.gz SPJOMVMBQOTPEC-NEWSRXKRSA-N 1 3 352.567 3.011 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662436 495668062 /nfs/dbraw/zinc/66/80/62/495668062.db2.gz PMHBHDDFSJMMFT-JZXOWHBKSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662436 495668066 /nfs/dbraw/zinc/66/80/66/495668066.db2.gz PMHBHDDFSJMMFT-JZXOWHBKSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662436 495668070 /nfs/dbraw/zinc/66/80/70/495668070.db2.gz PMHBHDDFSJMMFT-JZXOWHBKSA-N 1 3 366.933 3.322 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038121 495699386 /nfs/dbraw/zinc/69/93/86/495699386.db2.gz REBIIFBBOLAREY-ZWKOTPCHSA-N 1 3 364.559 3.011 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992390 495704630 /nfs/dbraw/zinc/70/46/30/495704630.db2.gz HTXQLBUSAVROQE-GOSISDBHSA-N 1 3 355.473 3.355 20 0 FGADHO C[N@@H+]1CCCN(CCCNCc2cc(Cl)ccc2Br)CC1 ZINC000173836838 495714177 /nfs/dbraw/zinc/71/41/77/495714177.db2.gz DKPXRNJAXOGKJN-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO C[N@H+]1CCCN(CCCNCc2cc(Cl)ccc2Br)CC1 ZINC000173836838 495714181 /nfs/dbraw/zinc/71/41/81/495714181.db2.gz DKPXRNJAXOGKJN-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC(C)CC1 ZINC000171201628 495767168 /nfs/dbraw/zinc/76/71/68/495767168.db2.gz SQFKUYRYFDVGTA-SFHVURJKSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000580637203 505803138 /nfs/dbraw/zinc/80/31/38/505803138.db2.gz YESJCLGWTIPQCB-SIKLNZKXSA-N 1 3 370.585 3.276 20 0 FGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183160101 495861094 /nfs/dbraw/zinc/86/10/94/495861094.db2.gz NIOQFGQOFDNZPC-HSALFYBXSA-N 1 3 357.542 3.039 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110817 495862532 /nfs/dbraw/zinc/86/25/32/495862532.db2.gz GUAQTQOZFSKUIC-LJQANCHMSA-N 1 3 368.569 3.341 20 0 FGADHO CSC1(CN[C@@H](C)c2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000580681516 505812722 /nfs/dbraw/zinc/81/27/22/505812722.db2.gz VBVNQOQMXZNZKM-LBPRGKRZSA-N 1 3 358.349 3.322 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340091 495937968 /nfs/dbraw/zinc/93/79/68/495937968.db2.gz KGGQLTWLFZQDBT-BEFAXECRSA-N 1 3 356.514 3.468 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000177181110 495963562 /nfs/dbraw/zinc/96/35/62/495963562.db2.gz SPFIRWAUIHVUHM-RXVVDRJESA-N 1 3 372.557 3.069 20 0 FGADHO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000183483233 496004280 /nfs/dbraw/zinc/00/42/80/496004280.db2.gz MXRDCRYYBARXLM-MRXNPFEDSA-N 1 3 358.530 3.261 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000174650652 496046976 /nfs/dbraw/zinc/04/69/76/496046976.db2.gz BHHYMPYAIODSFA-HDICACEKSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000174650652 496046978 /nfs/dbraw/zinc/04/69/78/496046978.db2.gz BHHYMPYAIODSFA-HDICACEKSA-N 1 3 357.542 3.123 20 0 FGADHO C[NH+]1CCC(CCNCc2cc(Br)cc3c2OCC3)CC1 ZINC000155803096 496073277 /nfs/dbraw/zinc/07/32/77/496073277.db2.gz IEJUIBSUCGYBOD-UHFFFAOYSA-N 1 3 353.304 3.206 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152451462 496156621 /nfs/dbraw/zinc/15/66/21/496156621.db2.gz NJKHWAPGWNLBPR-JKSUJKDBSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152451462 496156625 /nfs/dbraw/zinc/15/66/25/496156625.db2.gz NJKHWAPGWNLBPR-JKSUJKDBSA-N 1 3 363.933 3.151 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878730 496235436 /nfs/dbraw/zinc/23/54/36/496235436.db2.gz LTDOROZUKUZTET-RBUKOAKNSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878730 496235441 /nfs/dbraw/zinc/23/54/41/496235441.db2.gz LTDOROZUKUZTET-RBUKOAKNSA-N 1 3 372.557 3.195 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187016916 496253368 /nfs/dbraw/zinc/25/33/68/496253368.db2.gz NDMYTCSKEMDINM-GOSISDBHSA-N 1 3 361.599 3.445 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000156497996 496261655 /nfs/dbraw/zinc/26/16/55/496261655.db2.gz IKZMMVYQHZGNRG-KRWDZBQOSA-N 1 3 369.509 3.228 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035766 496298082 /nfs/dbraw/zinc/29/80/82/496298082.db2.gz WUJUXJUFSNITIL-ZIFCJYIRSA-N 1 3 362.514 3.388 20 0 FGADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)CC2)c1 ZINC000178238387 496381803 /nfs/dbraw/zinc/38/18/03/496381803.db2.gz CVXQFOIMRBCZPY-GOSISDBHSA-N 1 3 366.509 3.166 20 0 FGADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000178261281 496391705 /nfs/dbraw/zinc/39/17/05/496391705.db2.gz WMQBGPADZHDBHX-QGZVFWFLSA-N 1 3 366.509 3.489 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175524799 496426661 /nfs/dbraw/zinc/42/66/61/496426661.db2.gz QRPAXHDQKJKRGF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000157341261 496457872 /nfs/dbraw/zinc/45/78/72/496457872.db2.gz FHPSGYTWRSVOFS-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187478348 496458934 /nfs/dbraw/zinc/45/89/34/496458934.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187478348 496458939 /nfs/dbraw/zinc/45/89/39/496458939.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000163092611 496462897 /nfs/dbraw/zinc/46/28/97/496462897.db2.gz CIEFSLRBNGQYIU-HZPDHXFCSA-N 1 3 373.463 3.162 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163218776 496483182 /nfs/dbraw/zinc/48/31/82/496483182.db2.gz YBIPIFXPPOPZTN-XLIONFOSSA-N 1 3 356.514 3.229 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218776 496483187 /nfs/dbraw/zinc/48/31/87/496483187.db2.gz YBIPIFXPPOPZTN-XLIONFOSSA-N 1 3 356.514 3.229 20 0 FGADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000178522573 496485464 /nfs/dbraw/zinc/48/54/64/496485464.db2.gz LVPDCDOHULGDCN-KRWDZBQOSA-N 1 3 355.320 3.337 20 0 FGADHO C[C@H]1C[C@H](NCCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522086 496486375 /nfs/dbraw/zinc/48/63/75/496486375.db2.gz BFQOCSWSRYYGTH-GUYCJALGSA-N 1 3 367.331 3.434 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000163571947 496533601 /nfs/dbraw/zinc/53/36/01/496533601.db2.gz LQSHIPSQDHWHLP-QGZVFWFLSA-N 1 3 364.497 3.355 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C12CCCC2 ZINC000181827469 496560966 /nfs/dbraw/zinc/56/09/66/496560966.db2.gz AGXITCPNSOIWQL-VQTJNVASSA-N 1 3 363.590 3.264 20 0 FGADHO Clc1ccc(C[C@@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095200 505851870 /nfs/dbraw/zinc/85/18/70/505851870.db2.gz JUBTXEWTILUWHE-WMZOPIPTSA-N 1 3 373.932 3.426 20 0 FGADHO COC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187776978 496567096 /nfs/dbraw/zinc/56/70/96/496567096.db2.gz APGJQGGMMYPFKC-GCJKJVERSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187776978 496567102 /nfs/dbraw/zinc/56/71/02/496567102.db2.gz APGJQGGMMYPFKC-GCJKJVERSA-N 1 3 360.542 3.450 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000163934406 496571661 /nfs/dbraw/zinc/57/16/61/496571661.db2.gz YGXKEWVVXSVQCZ-IBGZPJMESA-N 1 3 370.516 3.469 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000157907677 496582434 /nfs/dbraw/zinc/58/24/34/496582434.db2.gz GRACMIFPASIQII-NHCUHLMSSA-N 1 3 372.557 3.258 20 0 FGADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953278 505854018 /nfs/dbraw/zinc/85/40/18/505854018.db2.gz OILQMCWWBMJPIC-PKOBYXMFSA-N 1 3 365.587 3.457 20 0 FGADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(CC)CC ZINC000571953278 505854019 /nfs/dbraw/zinc/85/40/19/505854019.db2.gz OILQMCWWBMJPIC-PKOBYXMFSA-N 1 3 365.587 3.457 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153922481 496624340 /nfs/dbraw/zinc/62/43/40/496624340.db2.gz NMGCXNJJQZBSOI-DYXWJJEUSA-N 1 3 359.558 3.206 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000153930654 496626762 /nfs/dbraw/zinc/62/67/62/496626762.db2.gz WMHZDNQSXMWCRP-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000158159854 496640749 /nfs/dbraw/zinc/64/07/49/496640749.db2.gz DOJPUTPRDRBYGW-HKUYNNGSSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000173346467 496653085 /nfs/dbraw/zinc/65/30/85/496653085.db2.gz DNQBNCZFWFRYHY-MOPGFXCFSA-N 1 3 364.578 3.299 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109762 496679305 /nfs/dbraw/zinc/67/93/05/496679305.db2.gz BKGRNUSCUYUXCY-INIZCTEOSA-N 1 3 358.917 3.333 20 0 FGADHO CC1(C(=O)NCCN2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000182128818 496680205 /nfs/dbraw/zinc/68/02/05/496680205.db2.gz VOWWBCMDUPZUEK-UHFFFAOYSA-N 1 3 357.542 3.281 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000166246079 496680516 /nfs/dbraw/zinc/68/05/16/496680516.db2.gz PVWLLUCLLXZFMY-SJORKVTESA-N 1 3 371.447 3.347 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3ccccc32)C1 ZINC000182269701 496723645 /nfs/dbraw/zinc/72/36/45/496723645.db2.gz DPMCZOXKCSPJJB-FPOVZHCZSA-N 1 3 352.478 3.257 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3ccccc32)C1 ZINC000182269701 496723647 /nfs/dbraw/zinc/72/36/47/496723647.db2.gz DPMCZOXKCSPJJB-FPOVZHCZSA-N 1 3 352.478 3.257 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000247109415 496781668 /nfs/dbraw/zinc/78/16/68/496781668.db2.gz WNSHKCDMMBVIEV-SJORKVTESA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000247109415 496781672 /nfs/dbraw/zinc/78/16/72/496781672.db2.gz WNSHKCDMMBVIEV-SJORKVTESA-N 1 3 368.447 3.286 20 0 FGADHO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000247109415 496781675 /nfs/dbraw/zinc/78/16/75/496781675.db2.gz WNSHKCDMMBVIEV-SJORKVTESA-N 1 3 368.447 3.286 20 0 FGADHO Cc1nc(C)c([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)s1 ZINC000268799048 496789902 /nfs/dbraw/zinc/78/99/02/496789902.db2.gz IUMVNHQJYHNOEA-HNNXBMFYSA-N 1 3 359.543 3.018 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513246 496792600 /nfs/dbraw/zinc/79/26/00/496792600.db2.gz OYSVGTXWGPGOPM-QFIPXVFZSA-N 1 3 358.574 3.306 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513246 496792607 /nfs/dbraw/zinc/79/26/07/496792607.db2.gz OYSVGTXWGPGOPM-QFIPXVFZSA-N 1 3 358.574 3.306 20 0 FGADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000569163652 505866506 /nfs/dbraw/zinc/86/65/06/505866506.db2.gz PWDPYZZKBKQQFV-NRFANRHFSA-N 1 3 369.484 3.454 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000191602892 496828224 /nfs/dbraw/zinc/82/82/24/496828224.db2.gz OTZGYVQCDSFCBK-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247320850 496834359 /nfs/dbraw/zinc/83/43/59/496834359.db2.gz HZWNWDRQKBWUMF-PZJWPPBQSA-N 1 3 374.573 3.413 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]21 ZINC000268972596 496839402 /nfs/dbraw/zinc/83/94/02/496839402.db2.gz ATZFHJXLBGEYST-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]21 ZINC000268972596 496839407 /nfs/dbraw/zinc/83/94/07/496839407.db2.gz ATZFHJXLBGEYST-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000268993713 496844579 /nfs/dbraw/zinc/84/45/79/496844579.db2.gz NELJUZCSCDWSAD-RXVVDRJESA-N 1 3 356.510 3.444 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075194 496865548 /nfs/dbraw/zinc/86/55/48/496865548.db2.gz NJUIHNNAFJVYGT-ZFWWWQNUSA-N 1 3 360.445 3.304 20 0 FGADHO Cc1cc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2[nH]1 ZINC000195342330 496895841 /nfs/dbraw/zinc/89/58/41/496895841.db2.gz VUXGCOHDZTXAAN-UHFFFAOYSA-N 1 3 369.513 3.156 20 0 FGADHO CN(C)Cc1cccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000269233347 496900907 /nfs/dbraw/zinc/90/09/07/496900907.db2.gz KCXLLBVDZKFJFR-UHFFFAOYSA-N 1 3 350.466 3.304 20 0 FGADHO CN(c1ccccc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C1CCN(C)CC1 ZINC000248388348 496990070 /nfs/dbraw/zinc/99/00/70/496990070.db2.gz DNCJQJFLWZULKL-DENIHFKCSA-N 1 3 357.542 3.264 20 0 FGADHO CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000248391588 496991990 /nfs/dbraw/zinc/99/19/90/496991990.db2.gz DHJMNRYDTIEDNC-NGRWLJPCSA-N 1 3 359.558 3.378 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000248400584 496997186 /nfs/dbraw/zinc/99/71/86/496997186.db2.gz QIOJYILPHGNKKX-MOJGAOKDSA-N 1 3 365.521 3.049 20 0 FGADHO CCc1nc2c(s1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434333 497010854 /nfs/dbraw/zinc/01/08/54/497010854.db2.gz DUUCYDUOGRJBQX-MSOLQXFVSA-N 1 3 371.550 3.439 20 0 FGADHO CCc1nc2c(s1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434333 497010859 /nfs/dbraw/zinc/01/08/59/497010859.db2.gz DUUCYDUOGRJBQX-MSOLQXFVSA-N 1 3 371.550 3.439 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165923 497021259 /nfs/dbraw/zinc/02/12/59/497021259.db2.gz HNHBQYNPICXNNL-CYBMUJFWSA-N 1 3 374.754 3.218 20 0 FGADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000572080100 505883946 /nfs/dbraw/zinc/88/39/46/505883946.db2.gz WQHXCWMKLFDZOX-QFIPXVFZSA-N 1 3 365.525 3.130 20 0 FGADHO Cc1ccc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc2n1 ZINC000189386596 497102432 /nfs/dbraw/zinc/10/24/32/497102432.db2.gz MQUSRRXLNWGBDA-VXKWHMMOSA-N 1 3 353.510 3.401 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270427430 497125970 /nfs/dbraw/zinc/12/59/70/497125970.db2.gz HDJNGGDJRJGRSU-ZDUSSCGKSA-N 1 3 359.345 3.254 20 0 FGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537125 497147035 /nfs/dbraw/zinc/14/70/35/497147035.db2.gz WMIYBJXEAOZCCP-LBPRGKRZSA-N 1 3 359.345 3.252 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237079546 497188662 /nfs/dbraw/zinc/18/86/62/497188662.db2.gz BPZGWIWCZUQAHB-HOCLYGCPSA-N 1 3 371.447 3.189 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000192715742 497193720 /nfs/dbraw/zinc/19/37/20/497193720.db2.gz ULWBKWROOFBOET-UHFFFAOYSA-N 1 3 359.558 3.084 20 0 FGADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237173966 497200519 /nfs/dbraw/zinc/20/05/19/497200519.db2.gz WYENJKFOSKOQHC-MAUKXSAKSA-N 1 3 371.447 3.204 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000237183315 497202207 /nfs/dbraw/zinc/20/22/07/497202207.db2.gz AXUIBBQJUFXXSI-CNMWIUBYSA-N 1 3 361.555 3.168 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274961389 497206777 /nfs/dbraw/zinc/20/67/77/497206777.db2.gz WSGGYQVNTZRKAU-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274961389 497206783 /nfs/dbraw/zinc/20/67/83/497206783.db2.gz WSGGYQVNTZRKAU-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961389 497206790 /nfs/dbraw/zinc/20/67/90/497206790.db2.gz WSGGYQVNTZRKAU-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000574968607 505893492 /nfs/dbraw/zinc/89/34/92/505893492.db2.gz CVSHWSLNFHKOQR-IRXDYDNUSA-N 1 3 366.575 3.305 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000574968607 505893494 /nfs/dbraw/zinc/89/34/94/505893494.db2.gz CVSHWSLNFHKOQR-IRXDYDNUSA-N 1 3 366.575 3.305 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237536577 497251959 /nfs/dbraw/zinc/25/19/59/497251959.db2.gz XCLSPHCOZLLDGB-IAGOWNOFSA-N 1 3 358.530 3.157 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237599657 497261018 /nfs/dbraw/zinc/26/10/18/497261018.db2.gz OTOWIBJWGYMCCI-RTBURBONSA-N 1 3 357.542 3.101 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237651282 497269723 /nfs/dbraw/zinc/26/97/23/497269723.db2.gz RVTPSSBTLGXKGN-SJORKVTESA-N 1 3 363.571 3.102 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000251500810 497273624 /nfs/dbraw/zinc/27/36/24/497273624.db2.gz WEHOWYIRNVFVBS-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000251500810 497273627 /nfs/dbraw/zinc/27/36/27/497273627.db2.gz WEHOWYIRNVFVBS-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1cc(NC(=O)C[C@@H](N)c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237711919 497279648 /nfs/dbraw/zinc/27/96/48/497279648.db2.gz IIDVOQUJFBGVLW-HXUWFJFHSA-N 1 3 367.493 3.498 20 0 FGADHO c1cn2c(n1)CC[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000279010223 497302772 /nfs/dbraw/zinc/30/27/72/497302772.db2.gz SUTQMPGNAUMPSO-XSDIEEQYSA-N 1 3 350.510 3.231 20 0 FGADHO N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237862343 497304154 /nfs/dbraw/zinc/30/41/54/497304154.db2.gz JRLGIQYVCMNIFZ-OAQYLSRUSA-N 1 3 351.494 3.379 20 0 FGADHO c1cn(-c2ccccc2)nc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147881 505901046 /nfs/dbraw/zinc/90/10/46/505901046.db2.gz YAPJDRIXCBMUMF-GMAHTHKFSA-N 1 3 374.488 3.260 20 0 FGADHO [NH3+][C@H](CCC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237923387 497315102 /nfs/dbraw/zinc/31/51/02/497315102.db2.gz PTWZJMKVEQKGBD-NHCUHLMSSA-N 1 3 351.494 3.420 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993354 497318596 /nfs/dbraw/zinc/31/85/96/497318596.db2.gz TYMHBKQFMPPDFV-MOPGFXCFSA-N 1 3 361.530 3.050 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993354 497318599 /nfs/dbraw/zinc/31/85/99/497318599.db2.gz TYMHBKQFMPPDFV-MOPGFXCFSA-N 1 3 361.530 3.050 20 0 FGADHO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000275539315 497357805 /nfs/dbraw/zinc/35/78/05/497357805.db2.gz ZVBQPPOILHYVTM-GOSISDBHSA-N 1 3 356.470 3.114 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C(F)F)c3)CC2)CC1 ZINC000190165113 497382696 /nfs/dbraw/zinc/38/26/96/497382696.db2.gz UUZMSKSWAIEJBT-UHFFFAOYSA-N 1 3 366.456 3.304 20 0 FGADHO CCOc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000275621088 497384636 /nfs/dbraw/zinc/38/46/36/497384636.db2.gz KGKCFSMBGLQAFA-UHFFFAOYSA-N 1 3 374.529 3.074 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000275709841 497410119 /nfs/dbraw/zinc/41/01/19/497410119.db2.gz UNOIDRIYRVZBHI-RXVVDRJESA-N 1 3 370.541 3.271 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000275709841 497410122 /nfs/dbraw/zinc/41/01/22/497410122.db2.gz UNOIDRIYRVZBHI-RXVVDRJESA-N 1 3 370.541 3.271 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573461 497415704 /nfs/dbraw/zinc/41/57/04/497415704.db2.gz APSJUSOSTPLNCI-WMQCIHAUSA-N 1 3 351.494 3.055 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765766 497446346 /nfs/dbraw/zinc/44/63/46/497446346.db2.gz GFGYVOHUDXHGOV-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765766 497446352 /nfs/dbraw/zinc/44/63/52/497446352.db2.gz GFGYVOHUDXHGOV-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765766 497446359 /nfs/dbraw/zinc/44/63/59/497446359.db2.gz GFGYVOHUDXHGOV-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@]1(C[NH3+])CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896489 497471483 /nfs/dbraw/zinc/47/14/83/497471483.db2.gz WAUHOHJTQXLOCT-WOJBJXKFSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@]1(CN)CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896489 497471488 /nfs/dbraw/zinc/47/14/88/497471488.db2.gz WAUHOHJTQXLOCT-WOJBJXKFSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896489 497471495 /nfs/dbraw/zinc/47/14/95/497471495.db2.gz WAUHOHJTQXLOCT-WOJBJXKFSA-N 1 3 357.523 3.015 20 0 FGADHO CN1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612338 497474194 /nfs/dbraw/zinc/47/41/94/497474194.db2.gz BXPHPYJJPGRYAX-MSOLQXFVSA-N 1 3 358.530 3.040 20 0 FGADHO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262022010 497493803 /nfs/dbraw/zinc/49/38/03/497493803.db2.gz WGISKBDVUKKCJU-ZDUSSCGKSA-N 1 3 353.869 3.129 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498550 /nfs/dbraw/zinc/49/85/50/497498550.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498556 /nfs/dbraw/zinc/49/85/56/497498556.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231831 497526545 /nfs/dbraw/zinc/52/65/45/497526545.db2.gz GXECRVLYAWGMDS-WPJATSFPSA-N 1 3 369.553 3.167 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236934 497527991 /nfs/dbraw/zinc/52/79/91/497527991.db2.gz OQOPDPURJWHSPL-NVXWUHKLSA-N 1 3 363.571 3.126 20 0 FGADHO Ic1ccc([C@@H]2CCCN2CC2CC[NH2+]CC2)cc1 ZINC000262289956 497535537 /nfs/dbraw/zinc/53/55/37/497535537.db2.gz VXECSVOCUMKZGZ-INIZCTEOSA-N 1 3 370.278 3.428 20 0 FGADHO Cc1c([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cnn1C(C)C ZINC000276444264 497575755 /nfs/dbraw/zinc/57/57/55/497575755.db2.gz YKDYFPMUEQAEAF-SFHVURJKSA-N 1 3 370.545 3.030 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942564 497579722 /nfs/dbraw/zinc/57/97/22/497579722.db2.gz BACAGMKTPCRLNG-ZBFHGGJFSA-N 1 3 364.921 3.114 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942564 497579723 /nfs/dbraw/zinc/57/97/23/497579723.db2.gz BACAGMKTPCRLNG-ZBFHGGJFSA-N 1 3 364.921 3.114 20 0 FGADHO CC(C)n1nccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000279907450 497583665 /nfs/dbraw/zinc/58/36/65/497583665.db2.gz LQWYRLVXPLUVLA-UHFFFAOYSA-N 1 3 355.530 3.156 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958922 497584705 /nfs/dbraw/zinc/58/47/05/497584705.db2.gz CKOJVFYYOMUIFO-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958922 497584707 /nfs/dbraw/zinc/58/47/07/497584707.db2.gz CKOJVFYYOMUIFO-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO CNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272463093 497634291 /nfs/dbraw/zinc/63/42/91/497634291.db2.gz KPEAEMZLYSJHTE-UTKZUKDTSA-N 1 3 351.494 3.046 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000246181294 497650528 /nfs/dbraw/zinc/65/05/28/497650528.db2.gz CFEWUFIQGMMIMZ-KSEOMHKRSA-N 1 3 371.569 3.383 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1OCCN1CCCC1 ZINC000262948989 497664403 /nfs/dbraw/zinc/66/44/03/497664403.db2.gz JJAXZLMIDKTYCR-NQIIRXRSSA-N 1 3 359.514 3.316 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000190996307 497678028 /nfs/dbraw/zinc/67/80/28/497678028.db2.gz RGHZQIUIMFNFEU-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194746718 497757671 /nfs/dbraw/zinc/75/76/71/497757671.db2.gz HPGAEHUCSJQMEI-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194746718 497757678 /nfs/dbraw/zinc/75/76/78/497757678.db2.gz HPGAEHUCSJQMEI-HXUWFJFHSA-N 1 3 351.494 3.000 20 0 FGADHO COc1cccc(OC)c1OC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000268519619 497771111 /nfs/dbraw/zinc/77/11/11/497771111.db2.gz FKPLOFREZGGLKK-KRWDZBQOSA-N 1 3 362.514 3.421 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564799 497775113 /nfs/dbraw/zinc/77/51/13/497775113.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564799 497775120 /nfs/dbraw/zinc/77/51/20/497775120.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564790 497775300 /nfs/dbraw/zinc/77/53/00/497775300.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564790 497775305 /nfs/dbraw/zinc/77/53/05/497775305.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO COc1ccc(-c2nc(C)c([C@@H](C)NCCOCC[NH+](C)C)s2)cc1 ZINC000578425447 505936924 /nfs/dbraw/zinc/93/69/24/505936924.db2.gz YNIBILFUIJQHNJ-CQSZACIVSA-N 1 3 363.527 3.356 20 0 FGADHO Cc1noc(C2CCC([NH2+]Cc3ccccc3OCCN(C)C)CC2)n1 ZINC000292054596 497857975 /nfs/dbraw/zinc/85/79/75/497857975.db2.gz GHOLVFJLEYJHAN-UHFFFAOYSA-N 1 3 358.486 3.134 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000292058440 497859884 /nfs/dbraw/zinc/85/98/84/497859884.db2.gz JXAGBKOJJRCGTM-YJBOKZPZSA-N 1 3 371.447 3.075 20 0 FGADHO O[C@@H](CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267609 497870062 /nfs/dbraw/zinc/87/00/62/497870062.db2.gz JFYMGIHJQNXRBX-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@@H](CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267609 497870068 /nfs/dbraw/zinc/87/00/68/497870068.db2.gz JFYMGIHJQNXRBX-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474131 505943909 /nfs/dbraw/zinc/94/39/09/505943909.db2.gz VUAQEQCNMBNAHG-MNEFBYGVSA-N 1 3 371.504 3.299 20 0 FGADHO COCCN(C)CC[C@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360914 505950259 /nfs/dbraw/zinc/95/02/59/505950259.db2.gz QWARBZLADXEMST-UTKZUKDTSA-N 1 3 369.509 3.146 20 0 FGADHO Cc1nc(COc2ccc(C[N@H+]3CCCC34CCN(C)CC4)cc2)no1 ZINC000330023416 497995252 /nfs/dbraw/zinc/99/52/52/497995252.db2.gz IOEOOPAVCFEICT-UHFFFAOYSA-N 1 3 356.470 3.017 20 0 FGADHO Cc1nc(COc2ccc(C[N@@H+]3CCCC34CCN(C)CC4)cc2)no1 ZINC000330023416 497995257 /nfs/dbraw/zinc/99/52/57/497995257.db2.gz IOEOOPAVCFEICT-UHFFFAOYSA-N 1 3 356.470 3.017 20 0 FGADHO Cc1nc(COc2ccc(CN3CCCC34CC[NH+](C)CC4)cc2)no1 ZINC000330023416 497995267 /nfs/dbraw/zinc/99/52/67/497995267.db2.gz IOEOOPAVCFEICT-UHFFFAOYSA-N 1 3 356.470 3.017 20 0 FGADHO COCCOCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262369 498083542 /nfs/dbraw/zinc/08/35/42/498083542.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 1 3 358.526 3.298 20 0 FGADHO COCCOCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262369 498083548 /nfs/dbraw/zinc/08/35/48/498083548.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 1 3 358.526 3.298 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(Cc4ccccc4)CC3)CC2)CC1 ZINC000575760357 505997894 /nfs/dbraw/zinc/99/78/94/505997894.db2.gz LXHCYCDSNJKMMM-UHFFFAOYSA-N 1 3 369.553 3.074 20 0 FGADHO Cc1cc2cc([C@@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2cc1C ZINC000569712830 505999841 /nfs/dbraw/zinc/99/98/41/505999841.db2.gz OSZLQXYAEDUEQF-LDJQZATESA-N 1 3 369.509 3.347 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000296966948 498270169 /nfs/dbraw/zinc/27/01/69/498270169.db2.gz IHGCKVMUIPQUMF-OTYNDTSQSA-N 1 3 370.541 3.056 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000296966948 498270178 /nfs/dbraw/zinc/27/01/78/498270178.db2.gz IHGCKVMUIPQUMF-OTYNDTSQSA-N 1 3 370.541 3.056 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289771708 498286510 /nfs/dbraw/zinc/28/65/10/498286510.db2.gz RISRGRGWXSCEOU-PMACEKPBSA-N 1 3 370.493 3.204 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811163 506021620 /nfs/dbraw/zinc/02/16/20/506021620.db2.gz NUVDQCDXAHRXCR-XQTRSNPVSA-N 1 3 365.521 3.337 20 0 FGADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345681 498371510 /nfs/dbraw/zinc/37/15/10/498371510.db2.gz FHVLDCVZMSHGLT-LOKQZNEXSA-N 1 3 350.453 3.336 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000361723458 498423426 /nfs/dbraw/zinc/42/34/26/498423426.db2.gz QCPZNHJCUUUMAA-KXBFYZLASA-N 1 3 357.523 3.165 20 0 FGADHO CSCc1cnc(CNCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000293628072 498434101 /nfs/dbraw/zinc/43/41/01/498434101.db2.gz QVWNJLWRQURKOX-UHFFFAOYSA-N 1 3 365.568 3.279 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@H](C)O1 ZINC000282252002 498438870 /nfs/dbraw/zinc/43/88/70/498438870.db2.gz MWPXVQUEFMDTKQ-IYBDPMFKSA-N 1 3 362.543 3.128 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)c2ccccc2)CC1 ZINC000361921392 498440143 /nfs/dbraw/zinc/44/01/43/498440143.db2.gz HLCAHSKONWGZOX-UHFFFAOYSA-N 1 3 366.509 3.201 20 0 FGADHO Fc1ccc(-n2ccc(CC[NH2+]C3CCN(c4ccncc4)CC3)n2)cc1 ZINC000297615911 498512926 /nfs/dbraw/zinc/51/29/26/498512926.db2.gz KZYSZWWEFSCSTC-UHFFFAOYSA-N 1 3 365.456 3.208 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C3=CCCC3)CC2)CC1 ZINC000569987365 506063331 /nfs/dbraw/zinc/06/33/31/506063331.db2.gz XYILKTZKHWNILV-UHFFFAOYSA-N 1 3 361.574 3.435 20 0 FGADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298046139 498648177 /nfs/dbraw/zinc/64/81/77/498648177.db2.gz IBFPQUSDUUMSQR-VQIMIIECSA-N 1 3 374.529 3.286 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462661 498678442 /nfs/dbraw/zinc/67/84/42/498678442.db2.gz LVIDNEIKQBCBCA-UXHICEINSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303503211 498682833 /nfs/dbraw/zinc/68/28/33/498682833.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303503211 498682840 /nfs/dbraw/zinc/68/28/40/498682840.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 1 3 374.573 3.174 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879668 498684982 /nfs/dbraw/zinc/68/49/82/498684982.db2.gz KIPWNAQXKCNVJI-VXKWHMMOSA-N 1 3 369.553 3.374 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879668 498684991 /nfs/dbraw/zinc/68/49/91/498684991.db2.gz KIPWNAQXKCNVJI-VXKWHMMOSA-N 1 3 369.553 3.374 20 0 FGADHO COc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298223321 498700216 /nfs/dbraw/zinc/70/02/16/498700216.db2.gz AOVLHQMHCYDZIQ-SFHVURJKSA-N 1 3 366.509 3.175 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCN(C4CC4)CC3)CC2)c1 ZINC000298229984 498703520 /nfs/dbraw/zinc/70/35/20/498703520.db2.gz BFUBMLICPANVRP-UHFFFAOYSA-N 1 3 370.585 3.114 20 0 FGADHO CC[NH+]1CCC(CNCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000318077152 498795469 /nfs/dbraw/zinc/79/54/69/498795469.db2.gz ITJGMQFBGSIDIE-UHFFFAOYSA-N 1 3 369.303 3.057 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618747 498816282 /nfs/dbraw/zinc/81/62/82/498816282.db2.gz JRJIIYSERAWAJR-OPYAIIAOSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618747 498816278 /nfs/dbraw/zinc/81/62/78/498816278.db2.gz JRJIIYSERAWAJR-OPYAIIAOSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618743 498816431 /nfs/dbraw/zinc/81/64/31/498816431.db2.gz JRJIIYSERAWAJR-LQWHRVPQSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618743 498816437 /nfs/dbraw/zinc/81/64/37/498816437.db2.gz JRJIIYSERAWAJR-LQWHRVPQSA-N 1 3 371.529 3.055 20 0 FGADHO c1ccc([C@H](CN2CCCC2)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298568164 498816711 /nfs/dbraw/zinc/81/67/11/498816711.db2.gz WUEYXFUAXQCHGR-QFIPXVFZSA-N 1 3 350.510 3.477 20 0 FGADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000366339381 498880336 /nfs/dbraw/zinc/88/03/36/498880336.db2.gz BPSRCOAZBXHIGE-UHFFFAOYSA-N 1 3 351.485 3.474 20 0 FGADHO C[C@@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129310 498908493 /nfs/dbraw/zinc/90/84/93/498908493.db2.gz JJSOIEUPVDYPQE-HZPDHXFCSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129310 498908501 /nfs/dbraw/zinc/90/85/01/498908501.db2.gz JJSOIEUPVDYPQE-HZPDHXFCSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCN(C2CCC2)C1 ZINC000333129310 498908508 /nfs/dbraw/zinc/90/85/08/498908508.db2.gz JJSOIEUPVDYPQE-HZPDHXFCSA-N 1 3 354.498 3.121 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3ccc(F)c(F)c3)CC2)CC1 ZINC000363660640 498929177 /nfs/dbraw/zinc/92/91/77/498929177.db2.gz GMAXOTJEFNZAQN-UHFFFAOYSA-N 1 3 351.485 3.251 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccccc1O2 ZINC000366446152 498931502 /nfs/dbraw/zinc/93/15/02/498931502.db2.gz ZUOXIRIXMIUYHE-NSHGMRRFSA-N 1 3 358.526 3.363 20 0 FGADHO C[N@@H+]1CC[C@]2(CCN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967833 /nfs/dbraw/zinc/96/78/33/498967833.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CC[C@]2(CCN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967835 /nfs/dbraw/zinc/96/78/35/498967835.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 1 3 351.535 3.051 20 0 FGADHO CN1CCC([N@@H+]2CC[C@H](N[C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832661 499016122 /nfs/dbraw/zinc/01/61/22/499016122.db2.gz XQZLFMXOKDFFDI-UGKGYDQZSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@H](N[C@@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832661 499016130 /nfs/dbraw/zinc/01/61/30/499016130.db2.gz XQZLFMXOKDFFDI-UGKGYDQZSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000284351987 499093920 /nfs/dbraw/zinc/09/39/20/499093920.db2.gz MIDVCUWNVNJQJQ-HBMCJLEFSA-N 1 3 356.510 3.207 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000369871829 499142537 /nfs/dbraw/zinc/14/25/37/499142537.db2.gz JLHUIVJAXMSZCW-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000369882886 499144678 /nfs/dbraw/zinc/14/46/78/499144678.db2.gz NYKFUTGPHAHLDB-PBHICJAKSA-N 1 3 366.347 3.268 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000576333353 506133087 /nfs/dbraw/zinc/13/30/87/506133087.db2.gz CWVWUBUZSXIUOR-DYESRHJHSA-N 1 3 368.525 3.239 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@H](C)O1 ZINC000372841103 499183183 /nfs/dbraw/zinc/18/31/83/499183183.db2.gz WXPPNJGKVJPYRD-ROUUACIJSA-N 1 3 356.514 3.066 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000367351731 499186636 /nfs/dbraw/zinc/18/66/36/499186636.db2.gz OLWPOUCYVNXMEI-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO CN(CC[C@H]1CCC[N@@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191804 /nfs/dbraw/zinc/19/18/04/499191804.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 1 3 358.530 3.347 20 0 FGADHO CN(CC[C@H]1CCC[N@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191806 /nfs/dbraw/zinc/19/18/06/499191806.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 1 3 358.530 3.347 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367610071 499217055 /nfs/dbraw/zinc/21/70/55/499217055.db2.gz ZXMGIMBIDNWAHJ-HKBOAZHASA-N 1 3 367.493 3.172 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000370608398 499235337 /nfs/dbraw/zinc/23/53/37/499235337.db2.gz LJEPSQGAGFUQEI-CWKRKGSWSA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000370608398 499235339 /nfs/dbraw/zinc/23/53/39/499235339.db2.gz LJEPSQGAGFUQEI-CWKRKGSWSA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](c1ccccc1)N1CCCC1 ZINC000370608398 499235340 /nfs/dbraw/zinc/23/53/40/499235340.db2.gz LJEPSQGAGFUQEI-CWKRKGSWSA-N 1 3 371.569 3.303 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638277 499238534 /nfs/dbraw/zinc/23/85/34/499238534.db2.gz XFBSRQBWVQFGGK-GOEBONIOSA-N 1 3 371.447 3.404 20 0 FGADHO CN(Cc1ccc(Br)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259572 499303510 /nfs/dbraw/zinc/30/35/10/499303510.db2.gz ULEJOACKPOBJIF-CQSZACIVSA-N 1 3 372.376 3.111 20 0 FGADHO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000368212642 499274430 /nfs/dbraw/zinc/27/44/30/499274430.db2.gz PHBBSWLIHGPGIX-ACRUOGEOSA-N 1 3 374.525 3.266 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368682 506141712 /nfs/dbraw/zinc/14/17/12/506141712.db2.gz QMSBYEKYGJDBAK-WIYYLYMNSA-N 1 3 362.514 3.201 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242693 499301710 /nfs/dbraw/zinc/30/17/10/499301710.db2.gz HKILLKJBQWLIJE-TZIWHRDSSA-N 1 3 373.516 3.028 20 0 FGADHO C[N@H+](Cc1cc(F)cc2cccnc21)C1CCN(C2CCOCC2)CC1 ZINC000368860584 499340562 /nfs/dbraw/zinc/34/05/62/499340562.db2.gz XNKZOIIFBVZZKX-UHFFFAOYSA-N 1 3 357.473 3.449 20 0 FGADHO C[N@@H+](Cc1cc(F)cc2cccnc21)C1CCN(C2CCOCC2)CC1 ZINC000368860584 499340564 /nfs/dbraw/zinc/34/05/64/499340564.db2.gz XNKZOIIFBVZZKX-UHFFFAOYSA-N 1 3 357.473 3.449 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000369449702 499404547 /nfs/dbraw/zinc/40/45/47/499404547.db2.gz XPSITIRZRNLADC-RXVVDRJESA-N 1 3 370.541 3.092 20 0 FGADHO Cn1ncc2c1CCC[C@H]2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310290 499505991 /nfs/dbraw/zinc/50/59/91/499505991.db2.gz PXFOWTLIOLOWOO-HXUWFJFHSA-N 1 3 354.498 3.060 20 0 FGADHO C[N@@H+]1CCC[C@H]1CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512029 /nfs/dbraw/zinc/51/20/29/499512029.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@H+]1CCC[C@H]1CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512031 /nfs/dbraw/zinc/51/20/31/499512031.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 1 3 351.535 3.194 20 0 FGADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000380460985 499543770 /nfs/dbraw/zinc/54/37/70/499543770.db2.gz PDHDXLZUJRPUNR-APWZRJJASA-N 1 3 369.509 3.120 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330961 499550543 /nfs/dbraw/zinc/55/05/43/499550543.db2.gz RNEFQWAQLJCCAR-ICSRJNTNSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330961 499550544 /nfs/dbraw/zinc/55/05/44/499550544.db2.gz RNEFQWAQLJCCAR-ICSRJNTNSA-N 1 3 374.912 3.191 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397484656 499564061 /nfs/dbraw/zinc/56/40/61/499564061.db2.gz AJWTZHNJLIKOHA-SFHVURJKSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000397554489 499564205 /nfs/dbraw/zinc/56/42/05/499564205.db2.gz KJRGLZKMDRJLIK-QGZVFWFLSA-N 1 3 368.477 3.093 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccccc1F ZINC000398001311 499565665 /nfs/dbraw/zinc/56/56/65/499565665.db2.gz WEAWWFCPBMUIQM-LMNJBCLMSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccccc1F ZINC000398001311 499565666 /nfs/dbraw/zinc/56/56/66/499565666.db2.gz WEAWWFCPBMUIQM-LMNJBCLMSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062418 499566137 /nfs/dbraw/zinc/56/61/37/499566137.db2.gz MUBRXCRTUPZJKK-ICSRJNTNSA-N 1 3 357.542 3.313 20 0 FGADHO CC(=O)NC1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000376907576 499645497 /nfs/dbraw/zinc/64/54/97/499645497.db2.gz LQXNTFWDERAUOA-UHFFFAOYSA-N 1 3 361.505 3.075 20 0 FGADHO C[C@@H]1CN(C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194433 499709426 /nfs/dbraw/zinc/70/94/26/499709426.db2.gz UOSBBIXIRSZRFY-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO CCN(CC)c1ncc(CN(C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000377695565 499721175 /nfs/dbraw/zinc/72/11/75/499721175.db2.gz IGMJAGSDCGBBJP-UHFFFAOYSA-N 1 3 359.543 3.485 20 0 FGADHO COc1ccc([C@@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377714757 499724327 /nfs/dbraw/zinc/72/43/27/499724327.db2.gz IUCIJWNOMXPOST-YBVXAUJNSA-N 1 3 357.542 3.042 20 0 FGADHO COc1ccc([C@@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377714757 499724328 /nfs/dbraw/zinc/72/43/28/499724328.db2.gz IUCIJWNOMXPOST-YBVXAUJNSA-N 1 3 357.542 3.042 20 0 FGADHO c1cn(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729147 /nfs/dbraw/zinc/72/91/47/499729147.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 1 3 373.504 3.221 20 0 FGADHO c1cn(-c2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729149 /nfs/dbraw/zinc/72/91/49/499729149.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 1 3 373.504 3.221 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883689 499745299 /nfs/dbraw/zinc/74/52/99/499745299.db2.gz KOKXOXAOGCVYNJ-FKBYEOEOSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1 ZINC000377883689 499745301 /nfs/dbraw/zinc/74/53/01/499745301.db2.gz KOKXOXAOGCVYNJ-FKBYEOEOSA-N 1 3 363.505 3.123 20 0 FGADHO Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C[NH+]3CCCCC3)cc2)cnn1C ZINC000411575572 499765066 /nfs/dbraw/zinc/76/50/66/499765066.db2.gz NFQXNGZGHOGTPY-FCHUYYIVSA-N 1 3 368.525 3.334 20 0 FGADHO CN1CCC(C[NH2+][C@@H](CC2CCC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000414193402 499767609 /nfs/dbraw/zinc/76/76/09/499767609.db2.gz MSIKDEYOHTWJQO-QFIPXVFZSA-N 1 3 371.569 3.304 20 0 FGADHO CC(C)Cc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414206714 499768470 /nfs/dbraw/zinc/76/84/70/499768470.db2.gz YWUZIKXROPCNPR-HXUWFJFHSA-N 1 3 373.585 3.332 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000414344967 499779498 /nfs/dbraw/zinc/77/94/98/499779498.db2.gz SCFKKKRAVOXDJI-CBGDNZLLSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@H](C)C1 ZINC000414344971 499779660 /nfs/dbraw/zinc/77/96/60/499779660.db2.gz SCFKKKRAVOXDJI-LZJOCLMNSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000414344950 499779693 /nfs/dbraw/zinc/77/96/93/499779693.db2.gz RZQPAZACUZMYKI-NRFANRHFSA-N 1 3 366.509 3.020 20 0 FGADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414383718 499784174 /nfs/dbraw/zinc/78/41/74/499784174.db2.gz UOEMAUJTBJMLRZ-ZWKOTPCHSA-N 1 3 356.432 3.481 20 0 FGADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000414403314 499787548 /nfs/dbraw/zinc/78/75/48/499787548.db2.gz RGVWUSYNHFIOMF-UHFFFAOYSA-N 1 3 374.460 3.472 20 0 FGADHO CCc1cc(OC)ccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414528878 499803541 /nfs/dbraw/zinc/80/35/41/499803541.db2.gz UTXCJEGXLUJMNP-UHFFFAOYSA-N 1 3 368.521 3.374 20 0 FGADHO OC1(C[NH2+]C/C=C\c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000414546492 499806196 /nfs/dbraw/zinc/80/61/96/499806196.db2.gz GLINWSFDBSDSFG-DAXSKMNVSA-N 1 3 354.469 3.456 20 0 FGADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000414697015 499820943 /nfs/dbraw/zinc/82/09/43/499820943.db2.gz CCJRQPVPCFBCJC-MRXNPFEDSA-N 1 3 363.933 3.286 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000414715271 499822046 /nfs/dbraw/zinc/82/20/46/499822046.db2.gz WINLPDHVKFMZFG-DDVDASKDSA-N 1 3 355.526 3.142 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000414715271 499822047 /nfs/dbraw/zinc/82/20/47/499822047.db2.gz WINLPDHVKFMZFG-DDVDASKDSA-N 1 3 355.526 3.142 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737973 499824995 /nfs/dbraw/zinc/82/49/95/499824995.db2.gz OREXHOWDKIAFLB-UONOGXRCSA-N 1 3 368.319 3.016 20 0 FGADHO COc1c(Br)cccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778558 499830124 /nfs/dbraw/zinc/83/01/24/499830124.db2.gz JBPFWDCOULUABX-ZIAGYGMSSA-N 1 3 353.304 3.279 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)CC1 ZINC000412212183 499834581 /nfs/dbraw/zinc/83/45/81/499834581.db2.gz HCLHYFUHLFBDOW-JOCHJYFZSA-N 1 3 369.553 3.476 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838326 499836247 /nfs/dbraw/zinc/83/62/47/499836247.db2.gz KHWJWGPMPWGFBG-SWLSCSKDSA-N 1 3 356.308 3.129 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000414886366 499841518 /nfs/dbraw/zinc/84/15/18/499841518.db2.gz PVLHZKKXXUAILI-UHFFFAOYSA-N 1 3 362.518 3.061 20 0 FGADHO COc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@@H](C)CC[NH3+])cc1 ZINC000414894303 499842442 /nfs/dbraw/zinc/84/24/42/499842442.db2.gz KZDIZRMAPAVGTJ-KRWDZBQOSA-N 1 3 364.493 3.434 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414950347 499847954 /nfs/dbraw/zinc/84/79/54/499847954.db2.gz OMGRCVYXRRFFON-DYEKYZERSA-N 1 3 359.392 3.032 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414950347 499847955 /nfs/dbraw/zinc/84/79/55/499847955.db2.gz OMGRCVYXRRFFON-DYEKYZERSA-N 1 3 359.392 3.032 20 0 FGADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358809 499848356 /nfs/dbraw/zinc/84/83/56/499848356.db2.gz JIIMLTXAUOGPLJ-NNMXDRDESA-N 1 3 369.553 3.475 20 0 FGADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358809 499848358 /nfs/dbraw/zinc/84/83/58/499848358.db2.gz JIIMLTXAUOGPLJ-NNMXDRDESA-N 1 3 369.553 3.475 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414977421 499850689 /nfs/dbraw/zinc/85/06/89/499850689.db2.gz JWUVXRWHPRATSA-UHFFFAOYSA-N 1 3 364.537 3.476 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414986898 499851680 /nfs/dbraw/zinc/85/16/80/499851680.db2.gz CVGYYJHAGRLMCJ-NWDGAFQWSA-N 1 3 357.292 3.073 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990693 499851989 /nfs/dbraw/zinc/85/19/89/499851989.db2.gz AKQJWJVLRTUAOO-VXGBXAGGSA-N 1 3 354.285 3.181 20 0 FGADHO COCCOc1cccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1 ZINC000414998538 499853026 /nfs/dbraw/zinc/85/30/26/499853026.db2.gz IDDBUCJOBWTUKJ-SIKLNZKXSA-N 1 3 372.484 3.334 20 0 FGADHO C[C@@H](CCCC[NH3+])NCc1c(F)ccc(I)c1F ZINC000415017484 499855454 /nfs/dbraw/zinc/85/54/54/499855454.db2.gz RZCBHPDICUJZGX-VIFPVBQESA-N 1 3 368.209 3.177 20 0 FGADHO O=C1CCCN1Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415077416 499861131 /nfs/dbraw/zinc/86/11/31/499861131.db2.gz FBGCJYXEGZYWKD-YADHBBJMSA-N 1 3 363.505 3.392 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130363 499867866 /nfs/dbraw/zinc/86/78/66/499867866.db2.gz QREOPLRJTFWMTA-QZTJIDSGSA-N 1 3 372.431 3.346 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1SC ZINC000415132702 499868539 /nfs/dbraw/zinc/86/85/39/499868539.db2.gz UJJDASZHZKFNEM-VQIMIIECSA-N 1 3 350.528 3.135 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137154 499869098 /nfs/dbraw/zinc/86/90/98/499869098.db2.gz XTZVQXKILUEIRN-PZJWPPBQSA-N 1 3 361.505 3.144 20 0 FGADHO Cc1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(OCCN(C)C)c1 ZINC000415204505 499876501 /nfs/dbraw/zinc/87/65/01/499876501.db2.gz OHQIPRSPOXMJRZ-MRXNPFEDSA-N 1 3 370.497 3.277 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000415932182 499930005 /nfs/dbraw/zinc/93/00/05/499930005.db2.gz MNFJHUVHYQDPDL-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000415933119 499930211 /nfs/dbraw/zinc/93/02/11/499930211.db2.gz PEUZXXNZSJEDJN-UHFFFAOYSA-N 1 3 352.482 3.192 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000415942521 499931478 /nfs/dbraw/zinc/93/14/78/499931478.db2.gz JFOWHQGAINBURF-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccco1 ZINC000415949553 499932312 /nfs/dbraw/zinc/93/23/12/499932312.db2.gz CGNMSNYEKDKSKN-UHFFFAOYSA-N 1 3 374.460 3.050 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415963404 499934389 /nfs/dbraw/zinc/93/43/89/499934389.db2.gz VLQNKKHZZUAGHF-UHFFFAOYSA-N 1 3 362.493 3.201 20 0 FGADHO CC(C)(CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000415971232 499935685 /nfs/dbraw/zinc/93/56/85/499935685.db2.gz GAELIRSMSGWGQT-UHFFFAOYSA-N 1 3 352.482 3.104 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2ccc(C[NH2+]C)cc2)N(C)C)cc1 ZINC000415993079 499938481 /nfs/dbraw/zinc/93/84/81/499938481.db2.gz SLDIRUCEAQPOOB-FQEVSTJZSA-N 1 3 354.498 3.393 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417042693 499956405 /nfs/dbraw/zinc/95/64/05/499956405.db2.gz LXDJICQJOKWKRG-XLIONFOSSA-N 1 3 360.546 3.203 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417042693 499956409 /nfs/dbraw/zinc/95/64/09/499956409.db2.gz LXDJICQJOKWKRG-XLIONFOSSA-N 1 3 360.546 3.203 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416143962 499957245 /nfs/dbraw/zinc/95/72/45/499957245.db2.gz LRJKRJQPXGRGGC-HXUWFJFHSA-N 1 3 355.482 3.259 20 0 FGADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970219 499971256 /nfs/dbraw/zinc/97/12/56/499971256.db2.gz XSEBRIBWUWCXDT-WSTZPKSXSA-N 1 3 374.573 3.173 20 0 FGADHO Cc1cc(C)n(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000573310776 506168407 /nfs/dbraw/zinc/16/84/07/506168407.db2.gz VKTIZZAKVBSIEQ-UHFFFAOYSA-N 1 3 352.526 3.488 20 0 FGADHO Cc1cc(C)n(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000573310776 506168412 /nfs/dbraw/zinc/16/84/12/506168412.db2.gz VKTIZZAKVBSIEQ-UHFFFAOYSA-N 1 3 352.526 3.488 20 0 FGADHO C[C@@H](CN1CCOC[C@H](C2CCC2)C1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029963 499988460 /nfs/dbraw/zinc/98/84/60/499988460.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCOC[C@H](C2CCC2)C1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029963 499988464 /nfs/dbraw/zinc/98/84/64/499988464.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCOC[C@@H](C2CCC2)C1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029963 499988467 /nfs/dbraw/zinc/98/84/67/499988467.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCOC[C@@H](C2CCC2)C1)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029963 499988470 /nfs/dbraw/zinc/98/84/70/499988470.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 1 3 364.574 3.120 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211718 500006421 /nfs/dbraw/zinc/00/64/21/500006421.db2.gz GTDQKAMLJBYHNW-HMXCVIKNSA-N 1 3 372.557 3.086 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217526 500008093 /nfs/dbraw/zinc/00/80/93/500008093.db2.gz DKFDXLBEEPSRLG-XGHQBKJUSA-N 1 3 366.509 3.341 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417220701 500009127 /nfs/dbraw/zinc/00/91/27/500009127.db2.gz YWHXDWPEEWTHGT-ICSRJNTNSA-N 1 3 360.546 3.276 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C2CCC2)C2CCC2)CC1 ZINC000429135720 500010392 /nfs/dbraw/zinc/01/03/92/500010392.db2.gz UYIFMSZWLCIAAC-UHFFFAOYSA-N 1 3 369.553 3.483 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C\c3ccccc3OC)CC2)CC1 ZINC000421382644 500034029 /nfs/dbraw/zinc/03/40/29/500034029.db2.gz YMIQQPYJUJXPEO-TWGQIWQCSA-N 1 3 357.542 3.200 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)N(C)C)cc1 ZINC000417310923 500036282 /nfs/dbraw/zinc/03/62/82/500036282.db2.gz KYZQEIIPDFMWCT-PMACEKPBSA-N 1 3 372.557 3.017 20 0 FGADHO CSC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297028 500046685 /nfs/dbraw/zinc/04/66/85/500046685.db2.gz CLCABYMIRSDZIA-ROUUACIJSA-N 1 3 372.644 3.153 20 0 FGADHO CSC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297028 500046688 /nfs/dbraw/zinc/04/66/88/500046688.db2.gz CLCABYMIRSDZIA-ROUUACIJSA-N 1 3 372.644 3.153 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377534 500053565 /nfs/dbraw/zinc/05/35/65/500053565.db2.gz GAGZRDFXXQHVRX-MJGOQNOKSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377534 500053569 /nfs/dbraw/zinc/05/35/69/500053569.db2.gz GAGZRDFXXQHVRX-MJGOQNOKSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386274 500057149 /nfs/dbraw/zinc/05/71/49/500057149.db2.gz SRHHGYAHPOMVGV-MJGOQNOKSA-N 1 3 352.563 3.187 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535419 500094971 /nfs/dbraw/zinc/09/49/71/500094971.db2.gz ICOOZKFMMGWMOQ-INIZCTEOSA-N 1 3 357.420 3.450 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535419 500094972 /nfs/dbraw/zinc/09/49/72/500094972.db2.gz ICOOZKFMMGWMOQ-INIZCTEOSA-N 1 3 357.420 3.450 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417589893 500119581 /nfs/dbraw/zinc/11/95/81/500119581.db2.gz QQILKXSERXIXFK-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000417621241 500127527 /nfs/dbraw/zinc/12/75/27/500127527.db2.gz HBMLVFGKIUQYBN-BZSNNMDCSA-N 1 3 360.546 3.180 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416829237 500131547 /nfs/dbraw/zinc/13/15/47/500131547.db2.gz FOXKLIMUICKSGX-SJORKVTESA-N 1 3 366.575 3.338 20 0 FGADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC[NH2+]CC1 ZINC000416836619 500133996 /nfs/dbraw/zinc/13/39/96/500133996.db2.gz GTQGTHZXABRINM-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687612 500149484 /nfs/dbraw/zinc/14/94/84/500149484.db2.gz RMKVEBKEHBPEBD-LJQANCHMSA-N 1 3 374.573 3.276 20 0 FGADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416963223 500167307 /nfs/dbraw/zinc/16/73/07/500167307.db2.gz REBKOKIIGLFWGG-QGZVFWFLSA-N 1 3 368.525 3.212 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430039361 500184245 /nfs/dbraw/zinc/18/42/45/500184245.db2.gz DSKPYEBDQLWYSI-UHFFFAOYSA-N 1 3 366.933 3.454 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417860902 500185874 /nfs/dbraw/zinc/18/58/74/500185874.db2.gz ZJDWYNDAUAVLLO-AQNXPRMDSA-N 1 3 354.498 3.012 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463572 506181314 /nfs/dbraw/zinc/18/13/14/506181314.db2.gz ZXKCJLAYUOQHHF-ICSRJNTNSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463572 506181318 /nfs/dbraw/zinc/18/13/18/506181318.db2.gz ZXKCJLAYUOQHHF-ICSRJNTNSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463572 506181322 /nfs/dbraw/zinc/18/13/22/506181322.db2.gz ZXKCJLAYUOQHHF-ICSRJNTNSA-N 1 3 368.949 3.175 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418156874 500239040 /nfs/dbraw/zinc/23/90/40/500239040.db2.gz NUDDEDGIHRBRJJ-UFYCRDLUSA-N 1 3 372.557 3.104 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166076 500240586 /nfs/dbraw/zinc/24/05/86/500240586.db2.gz YWFVYJCAIZVTTM-PKOBYXMFSA-N 1 3 360.546 3.104 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177564 500243434 /nfs/dbraw/zinc/24/34/34/500243434.db2.gz HUXIRGXIDDBEIC-HDMKZQKVSA-N 1 3 366.937 3.102 20 0 FGADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC000418190825 500246293 /nfs/dbraw/zinc/24/62/93/500246293.db2.gz JSBWUOOKJVIIKZ-PZJWPPBQSA-N 1 3 374.573 3.129 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)N(CC)CC)cc1 ZINC000418209809 500249910 /nfs/dbraw/zinc/24/99/10/500249910.db2.gz FXBCVFFLNVRLMT-FPOVZHCZSA-N 1 3 374.573 3.273 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000418216914 500250499 /nfs/dbraw/zinc/25/04/99/500250499.db2.gz LYLOXUWPHPAUMJ-FQEVSTJZSA-N 1 3 360.546 3.375 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601406 500260956 /nfs/dbraw/zinc/26/09/56/500260956.db2.gz TZWUSUISPVSBRL-CDXJDZJCSA-N 1 3 371.550 3.403 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418421750 500274007 /nfs/dbraw/zinc/27/40/07/500274007.db2.gz CUUDNFGYPYFEDH-RXVVDRJESA-N 1 3 372.557 3.373 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418421750 500274011 /nfs/dbraw/zinc/27/40/11/500274011.db2.gz CUUDNFGYPYFEDH-RXVVDRJESA-N 1 3 372.557 3.373 20 0 FGADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418422201 500274438 /nfs/dbraw/zinc/27/44/38/500274438.db2.gz COOYPFCVOZWEBV-UNMCSNQZSA-N 1 3 372.557 3.058 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418435725 500276479 /nfs/dbraw/zinc/27/64/79/500276479.db2.gz IBGJRGMQWHFIPJ-HKUYNNGSSA-N 1 3 360.546 3.198 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418498790 500284356 /nfs/dbraw/zinc/28/43/56/500284356.db2.gz KVDMGXROACATCK-OAQYLSRUSA-N 1 3 368.525 3.213 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641163 500285304 /nfs/dbraw/zinc/28/53/04/500285304.db2.gz XGRFXSQQYLQSFP-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000422641163 500285305 /nfs/dbraw/zinc/28/53/05/500285305.db2.gz XGRFXSQQYLQSFP-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000422641163 500285306 /nfs/dbraw/zinc/28/53/06/500285306.db2.gz XGRFXSQQYLQSFP-MGPQQGTHSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640955 500285422 /nfs/dbraw/zinc/28/54/22/500285422.db2.gz WPTCEWPSBLNAHS-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1CN ZINC000422640955 500285426 /nfs/dbraw/zinc/28/54/26/500285426.db2.gz WPTCEWPSBLNAHS-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1CN ZINC000422640955 500285429 /nfs/dbraw/zinc/28/54/29/500285429.db2.gz WPTCEWPSBLNAHS-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503847 500285723 /nfs/dbraw/zinc/28/57/23/500285723.db2.gz ZUCJJLGKTPIHPI-DYESRHJHSA-N 1 3 368.525 3.213 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503847 500285724 /nfs/dbraw/zinc/28/57/24/500285724.db2.gz ZUCJJLGKTPIHPI-DYESRHJHSA-N 1 3 368.525 3.213 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422701035 500287092 /nfs/dbraw/zinc/28/70/92/500287092.db2.gz HWQVSOKRFDWCNB-INIZCTEOSA-N 1 3 352.526 3.336 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422710366 500287767 /nfs/dbraw/zinc/28/77/67/500287767.db2.gz LTRGTTKBTYSSLV-RDTXWAMCSA-N 1 3 355.448 3.257 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724751 500290092 /nfs/dbraw/zinc/29/00/92/500290092.db2.gz WNTHACZFMLCWBA-VGOFRKELSA-N 1 3 355.501 3.338 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724751 500290095 /nfs/dbraw/zinc/29/00/95/500290095.db2.gz WNTHACZFMLCWBA-VGOFRKELSA-N 1 3 355.501 3.338 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422750884 500293749 /nfs/dbraw/zinc/29/37/49/500293749.db2.gz AOGUICBBASMHQN-HNNXBMFYSA-N 1 3 357.473 3.387 20 0 FGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762548 500295094 /nfs/dbraw/zinc/29/50/94/500295094.db2.gz NXTNDNOBQBAMKY-RHSMWYFYSA-N 1 3 356.432 3.471 20 0 FGADHO COc1ccc(OC)c(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766552 500295151 /nfs/dbraw/zinc/29/51/51/500295151.db2.gz RVJVMDXUWAQJHT-UGKGYDQZSA-N 1 3 368.477 3.092 20 0 FGADHO C[C@H](NC1(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762253 500295334 /nfs/dbraw/zinc/29/53/34/500295334.db2.gz MKIQSFOGPDRELL-IOMROCGXSA-N 1 3 357.542 3.007 20 0 FGADHO C[C@H]([NH2+]C1(CN[C@H](C2CC2)[C@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762253 500295337 /nfs/dbraw/zinc/29/53/37/500295337.db2.gz MKIQSFOGPDRELL-IOMROCGXSA-N 1 3 357.542 3.007 20 0 FGADHO COc1ccc(OC)c(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766551 500295501 /nfs/dbraw/zinc/29/55/01/500295501.db2.gz RVJVMDXUWAQJHT-SIKLNZKXSA-N 1 3 368.477 3.092 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810563 500301207 /nfs/dbraw/zinc/30/12/07/500301207.db2.gz NQJMWHOZQQUKID-UDMCKFQASA-N 1 3 371.569 3.306 20 0 FGADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422833321 500303293 /nfs/dbraw/zinc/30/32/93/500303293.db2.gz MLCSEVBJRQDLAB-YESZJQIVSA-N 1 3 370.463 3.225 20 0 FGADHO FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)nc1 ZINC000422833321 500303295 /nfs/dbraw/zinc/30/32/95/500303295.db2.gz MLCSEVBJRQDLAB-YESZJQIVSA-N 1 3 370.463 3.225 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(COCc2ccccc2)c1 ZINC000422852493 500306100 /nfs/dbraw/zinc/30/61/00/500306100.db2.gz AWOKOHJALZHLNW-WTOYTKOKSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000430910741 500306173 /nfs/dbraw/zinc/30/61/73/500306173.db2.gz XJHOCHLDPSYLMW-PBASOCQRSA-N 1 3 357.542 3.453 20 0 FGADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422885239 500310977 /nfs/dbraw/zinc/31/09/77/500310977.db2.gz GOHBUSBNDFSGSE-NZSAHSFTSA-N 1 3 362.514 3.155 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCOCC1 ZINC000422899203 500313303 /nfs/dbraw/zinc/31/33/03/500313303.db2.gz GZSOTUPDLCEVGR-RHSMWYFYSA-N 1 3 352.906 3.114 20 0 FGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920837 500316768 /nfs/dbraw/zinc/31/67/68/500316768.db2.gz MXDAEABLMNUKMB-GWCFXTLKSA-N 1 3 351.800 3.110 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426769643 500318300 /nfs/dbraw/zinc/31/83/00/500318300.db2.gz KRXBXKRMJWRBJX-HMXCVIKNSA-N 1 3 369.553 3.278 20 0 FGADHO CN1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]1c1ccccc1 ZINC000423010969 500330214 /nfs/dbraw/zinc/33/02/14/500330214.db2.gz HPXOMMYNVQHJKA-MQFRRQCYSA-N 1 3 363.505 3.277 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423092657 500341061 /nfs/dbraw/zinc/34/10/61/500341061.db2.gz CVGUMCWMADTYSE-RWMBFGLXSA-N 1 3 360.283 3.328 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102635 500342691 /nfs/dbraw/zinc/34/26/91/500342691.db2.gz KIRVIGRLWOKJEV-FDFHNCONSA-N 1 3 357.542 3.170 20 0 FGADHO COCCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)c1ccc(Cl)cc1 ZINC000423111096 500343744 /nfs/dbraw/zinc/34/37/44/500343744.db2.gz VSWJIQPJBCGFLT-SKWUIDRYSA-N 1 3 354.922 3.192 20 0 FGADHO CC(C)OCCOC1CCN([C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154087 500349317 /nfs/dbraw/zinc/34/93/17/500349317.db2.gz IQXNSLFVRIAATG-RBBKRZOGSA-N 1 3 374.525 3.148 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@H](NC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c(F)c1 ZINC000423157492 500350250 /nfs/dbraw/zinc/35/02/50/500350250.db2.gz VFXZWIHCCHACMD-QGPPMGRFSA-N 1 3 358.436 3.016 20 0 FGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193214 500354050 /nfs/dbraw/zinc/35/40/50/500354050.db2.gz VLMKVXATEDYOBK-KGLIPLIRSA-N 1 3 354.336 3.129 20 0 FGADHO N[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000423327844 500364496 /nfs/dbraw/zinc/36/44/96/500364496.db2.gz KIJJGSSYPYHLRI-NRFANRHFSA-N 1 3 357.542 3.107 20 0 FGADHO CCc1ccc([C@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423333707 500364603 /nfs/dbraw/zinc/36/46/03/500364603.db2.gz SCVQSRBPLCIOPQ-FQEVSTJZSA-N 1 3 360.523 3.070 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc1F ZINC000423381833 500368585 /nfs/dbraw/zinc/36/85/85/500368585.db2.gz ZTCLHHMTUYKGPN-GPHNJDIKSA-N 1 3 371.475 3.493 20 0 FGADHO CCSc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400693 500370612 /nfs/dbraw/zinc/37/06/12/500370612.db2.gz WZUCMTBKTUPKNU-CJNGLKHVSA-N 1 3 361.477 3.285 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423455728 500376035 /nfs/dbraw/zinc/37/60/35/500376035.db2.gz NBIQKEZJKPNCMW-POHZPAGDSA-N 1 3 370.324 3.291 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278975 500376664 /nfs/dbraw/zinc/37/66/64/500376664.db2.gz DXBSADIFFBCROI-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1I ZINC000423475093 500377343 /nfs/dbraw/zinc/37/73/43/500377343.db2.gz ZUDJPIVOFNBKBA-RWMBFGLXSA-N 1 3 358.267 3.459 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482617 500377953 /nfs/dbraw/zinc/37/79/53/500377953.db2.gz PJXVVYZDZOHBFB-MISYRCLQSA-N 1 3 364.555 3.202 20 0 FGADHO [NH3+]C1(CN[C@@H](c2cncc(F)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000423564057 500384791 /nfs/dbraw/zinc/38/47/91/500384791.db2.gz KXGSEANFGNVWPU-OAQYLSRUSA-N 1 3 368.500 3.255 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423906265 500418039 /nfs/dbraw/zinc/41/80/39/500418039.db2.gz PWZDCBWWMQDEQC-RLLQIKCJSA-N 1 3 355.526 3.188 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423906265 500418041 /nfs/dbraw/zinc/41/80/41/500418041.db2.gz PWZDCBWWMQDEQC-RLLQIKCJSA-N 1 3 355.526 3.188 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000431852269 500434671 /nfs/dbraw/zinc/43/46/71/500434671.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000431852269 500434673 /nfs/dbraw/zinc/43/46/73/500434673.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 1 3 357.542 3.420 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000431867495 500436320 /nfs/dbraw/zinc/43/63/20/500436320.db2.gz ZQQILZSOMCQVHR-RTWAWAEBSA-N 1 3 374.573 3.448 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307921 500438145 /nfs/dbraw/zinc/43/81/45/500438145.db2.gz RRVZBEURQMUYBO-FYYLOGMGSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307921 500438148 /nfs/dbraw/zinc/43/81/48/500438148.db2.gz RRVZBEURQMUYBO-FYYLOGMGSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312895 500439069 /nfs/dbraw/zinc/43/90/69/500439069.db2.gz XOGPORJECWVZQP-LEWJYISDSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312895 500439071 /nfs/dbraw/zinc/43/90/71/500439071.db2.gz XOGPORJECWVZQP-LEWJYISDSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420312895 500439073 /nfs/dbraw/zinc/43/90/73/500439073.db2.gz XOGPORJECWVZQP-LEWJYISDSA-N 1 3 354.494 3.071 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431903068 500441449 /nfs/dbraw/zinc/44/14/49/500441449.db2.gz MNKCMZOBCXPAST-YADHBBJMSA-N 1 3 365.521 3.460 20 0 FGADHO Brc1ccccc1OCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332753 500443320 /nfs/dbraw/zinc/44/33/20/500443320.db2.gz SHWYTTIWRBSKMY-HUUCEWRRSA-N 1 3 353.304 3.149 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420340715 500445091 /nfs/dbraw/zinc/44/50/91/500445091.db2.gz UCASENSZZFAQNL-VUCTXSBTSA-N 1 3 358.404 3.474 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420382698 500452054 /nfs/dbraw/zinc/45/20/54/500452054.db2.gz ZXXWRZABHFAPMY-MRXNPFEDSA-N 1 3 353.894 3.174 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289547 500481544 /nfs/dbraw/zinc/48/15/44/500481544.db2.gz LXGSQOWSGDBSOH-PGRDOPGGSA-N 1 3 369.553 3.498 20 0 FGADHO CCN(C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305497 500484042 /nfs/dbraw/zinc/48/40/42/500484042.db2.gz SLRJLQNFANSHIT-GOEBONIOSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](C[C@@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305497 500484045 /nfs/dbraw/zinc/48/40/45/500484045.db2.gz SLRJLQNFANSHIT-GOEBONIOSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](C[C@@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305497 500484049 /nfs/dbraw/zinc/48/40/49/500484049.db2.gz SLRJLQNFANSHIT-GOEBONIOSA-N 1 3 361.427 3.074 20 0 FGADHO CC(C)O[C@H](CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283948 500491310 /nfs/dbraw/zinc/49/13/10/500491310.db2.gz CJIMOGOEZVZOAU-CEMLEFRQSA-N 1 3 359.558 3.111 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427512 500502993 /nfs/dbraw/zinc/50/29/93/500502993.db2.gz PRRUDEXAORDZES-OXJNMPFZSA-N 1 3 352.482 3.096 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000424443271 500506516 /nfs/dbraw/zinc/50/65/16/500506516.db2.gz JYWGPSBSSAZFEO-LPHOPBHVSA-N 1 3 352.482 3.411 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)N(C)C)cc1 ZINC000424443566 500506548 /nfs/dbraw/zinc/50/65/48/500506548.db2.gz KRVOTLLBJRZHMJ-FQEVSTJZSA-N 1 3 354.498 3.441 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C1CC1 ZINC000420838825 500513128 /nfs/dbraw/zinc/51/31/28/500513128.db2.gz RRKQDYHWUFYTQR-XVAXZDLZSA-N 1 3 372.557 3.069 20 0 FGADHO CCN1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690802 500544261 /nfs/dbraw/zinc/54/42/61/500544261.db2.gz LSJCOUKOOUOOAF-CTNGQTDRSA-N 1 3 374.573 3.489 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043674 500595784 /nfs/dbraw/zinc/59/57/84/500595784.db2.gz VNCCNOQAKMGTMC-VXKWHMMOSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043674 500595786 /nfs/dbraw/zinc/59/57/86/500595786.db2.gz VNCCNOQAKMGTMC-VXKWHMMOSA-N 1 3 371.569 3.477 20 0 FGADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762149 500621679 /nfs/dbraw/zinc/62/16/79/500621679.db2.gz QEMBJILASUOMCI-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762149 500621680 /nfs/dbraw/zinc/62/16/80/500621680.db2.gz QEMBJILASUOMCI-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762149 500621681 /nfs/dbraw/zinc/62/16/81/500621681.db2.gz QEMBJILASUOMCI-DLBZAZTESA-N 1 3 353.466 3.477 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871050 500637162 /nfs/dbraw/zinc/63/71/62/500637162.db2.gz AXDFUWZCVPEUCP-CQSZACIVSA-N 1 3 352.592 3.426 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875957 500637662 /nfs/dbraw/zinc/63/76/62/500637662.db2.gz PYSMBNJDOKKGKT-ZDUSSCGKSA-N 1 3 372.326 3.265 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000570682994 506213651 /nfs/dbraw/zinc/21/36/51/506213651.db2.gz WSMQTYFUMIGIDI-CYBMUJFWSA-N 1 3 361.873 3.314 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000438909481 500834193 /nfs/dbraw/zinc/83/41/93/500834193.db2.gz DESFMTGRTNOXPC-FGTMMUONSA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000438909481 500834194 /nfs/dbraw/zinc/83/41/94/500834194.db2.gz DESFMTGRTNOXPC-FGTMMUONSA-N 1 3 363.571 3.035 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000438961943 500840636 /nfs/dbraw/zinc/84/06/36/500840636.db2.gz QFAMWHTUTFWUDH-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000438961943 500840638 /nfs/dbraw/zinc/84/06/38/500840638.db2.gz QFAMWHTUTFWUDH-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000438961946 500840721 /nfs/dbraw/zinc/84/07/21/500840721.db2.gz QFAMWHTUTFWUDH-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000438961946 500840724 /nfs/dbraw/zinc/84/07/24/500840724.db2.gz QFAMWHTUTFWUDH-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO COc1ccc(C2([NH2+]CCCN3CCCCC3)CCOCC2)cc1F ZINC000444805640 500903803 /nfs/dbraw/zinc/90/38/03/500903803.db2.gz KXDSZGUNXZNYBM-UHFFFAOYSA-N 1 3 350.478 3.306 20 0 FGADHO CCN1CCN([C@H](C)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079780 500919780 /nfs/dbraw/zinc/91/97/80/500919780.db2.gz PXUUIJZSSCYCSJ-LJQANCHMSA-N 1 3 366.638 3.281 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)N2CCCCC2)CC1 ZINC000449089873 500922507 /nfs/dbraw/zinc/92/25/07/500922507.db2.gz LNIFKMMPGIRPFT-LJQANCHMSA-N 1 3 357.542 3.074 20 0 FGADHO C[C@H](CNCC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239143 500955521 /nfs/dbraw/zinc/95/55/21/500955521.db2.gz IEPAQJXQEBKCDU-SJORKVTESA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](C[NH2+]CC[C@H](C)N1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449239143 500955524 /nfs/dbraw/zinc/95/55/24/500955524.db2.gz IEPAQJXQEBKCDU-SJORKVTESA-N 1 3 352.544 3.048 20 0 FGADHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1OCc1ccncc1 ZINC000435372601 500961425 /nfs/dbraw/zinc/96/14/25/500961425.db2.gz KHZFHWXASHMLHP-INIZCTEOSA-N 1 3 355.482 3.228 20 0 FGADHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000435391635 500966862 /nfs/dbraw/zinc/96/68/62/500966862.db2.gz SXBFZXYHVKFDMY-SESVDKBCSA-N 1 3 351.494 3.447 20 0 FGADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000440104428 500975157 /nfs/dbraw/zinc/97/51/57/500975157.db2.gz LRYQVWJAIXSXJW-QFIPXVFZSA-N 1 3 369.553 3.217 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449503963 501019522 /nfs/dbraw/zinc/01/95/22/501019522.db2.gz IOSCKZJGCLXOJQ-JTHBVZDNSA-N 1 3 371.569 3.105 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538763 501020940 /nfs/dbraw/zinc/02/09/40/501020940.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538763 501020942 /nfs/dbraw/zinc/02/09/42/501020942.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781067 501084712 /nfs/dbraw/zinc/08/47/12/501084712.db2.gz ZGSFFTSCYWFIOP-LMCOJAPRSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781067 501084716 /nfs/dbraw/zinc/08/47/16/501084716.db2.gz ZGSFFTSCYWFIOP-LMCOJAPRSA-N 1 3 360.546 3.273 20 0 FGADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266009 501096659 /nfs/dbraw/zinc/09/66/59/501096659.db2.gz SXAXUZIXMYPJEG-JQVVWYNYSA-N 1 3 371.525 3.144 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441200282 501102373 /nfs/dbraw/zinc/10/23/73/501102373.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441200282 501102378 /nfs/dbraw/zinc/10/23/78/501102378.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCC[C@@H]([C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200282 501102381 /nfs/dbraw/zinc/10/23/81/501102381.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCC[C@@H]([C@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200282 501102384 /nfs/dbraw/zinc/10/23/84/501102384.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102736 /nfs/dbraw/zinc/10/27/36/501102736.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102739 /nfs/dbraw/zinc/10/27/39/501102739.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102740 /nfs/dbraw/zinc/10/27/40/501102740.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102741 /nfs/dbraw/zinc/10/27/41/501102741.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000436305342 501104817 /nfs/dbraw/zinc/10/48/17/501104817.db2.gz GEHHFXBGTBUOQW-IZZBFERCSA-N 1 3 361.574 3.410 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1(C)C ZINC000441352138 501125717 /nfs/dbraw/zinc/12/57/17/501125717.db2.gz KCLVDDBIJWMSTP-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](COC)C3CCCC3)cc2)CC1 ZINC000446746073 501160216 /nfs/dbraw/zinc/16/02/16/501160216.db2.gz VYHUMNXVPYEBRU-QFIPXVFZSA-N 1 3 359.558 3.119 20 0 FGADHO C=Cn1cc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816707 501168423 /nfs/dbraw/zinc/16/84/23/501168423.db2.gz GSIQWARSXPBWPZ-RTBURBONSA-N 1 3 368.525 3.283 20 0 FGADHO O=C(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)N1CCCCC1 ZINC000453062423 501261187 /nfs/dbraw/zinc/26/11/87/501261187.db2.gz MMKQGDUAMWKQBS-VSKRKVRLSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)N1CCCCC1 ZINC000453062423 501261189 /nfs/dbraw/zinc/26/11/89/501261189.db2.gz MMKQGDUAMWKQBS-VSKRKVRLSA-N 1 3 369.553 3.422 20 0 FGADHO CCC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108010 501270982 /nfs/dbraw/zinc/27/09/82/501270982.db2.gz JZKDOEKQBDLUQQ-SFTDATJTSA-N 1 3 357.542 3.442 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109350 501271213 /nfs/dbraw/zinc/27/12/13/501271213.db2.gz MHVYLSILEQZIHO-NHCUHLMSSA-N 1 3 355.526 3.052 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148061 501279110 /nfs/dbraw/zinc/27/91/10/501279110.db2.gz QRPIFLDPVXDVHJ-ACRUOGEOSA-N 1 3 365.525 3.188 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148061 501279112 /nfs/dbraw/zinc/27/91/12/501279112.db2.gz QRPIFLDPVXDVHJ-ACRUOGEOSA-N 1 3 365.525 3.188 20 0 FGADHO C[N@H+](CCCCNCc1cc2c(cc1Br)OCO2)C1CC1 ZINC000453601666 501358616 /nfs/dbraw/zinc/35/86/16/501358616.db2.gz VCQKNLIBSARFPV-UHFFFAOYSA-N 1 3 355.276 3.142 20 0 FGADHO C[N@@H+](CCCCNCc1cc2c(cc1Br)OCO2)C1CC1 ZINC000453601666 501358618 /nfs/dbraw/zinc/35/86/18/501358618.db2.gz VCQKNLIBSARFPV-UHFFFAOYSA-N 1 3 355.276 3.142 20 0 FGADHO Cc1cccc([C@@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736054 506248417 /nfs/dbraw/zinc/24/84/17/506248417.db2.gz GTYWONFMAJNLIK-NRFANRHFSA-N 1 3 355.526 3.183 20 0 FGADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000458289409 501412986 /nfs/dbraw/zinc/41/29/86/501412986.db2.gz MEZDGYBMFPBHMB-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO CCC(CC)(CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458377974 501431289 /nfs/dbraw/zinc/43/12/89/501431289.db2.gz RRXBIHHTMLZAKJ-YZGWKJHDSA-N 1 3 372.557 3.242 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458449827 501446776 /nfs/dbraw/zinc/44/67/76/501446776.db2.gz YVVUVBOEWPWSAP-SFHVURJKSA-N 1 3 366.575 3.086 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458449827 501446779 /nfs/dbraw/zinc/44/67/79/501446779.db2.gz YVVUVBOEWPWSAP-SFHVURJKSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN(C2CC2)C1 ZINC000452177162 501454221 /nfs/dbraw/zinc/45/42/21/501454221.db2.gz WSAMOBNUFWSCHP-SFHVURJKSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363554 501639610 /nfs/dbraw/zinc/63/96/10/501639610.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 1 3 369.553 3.360 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363554 501639611 /nfs/dbraw/zinc/63/96/11/501639611.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 1 3 369.553 3.360 20 0 FGADHO O[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459518445 501668299 /nfs/dbraw/zinc/66/82/99/501668299.db2.gz RIUILFXHEIFIQS-YOEHRIQHSA-N 1 3 357.420 3.124 20 0 FGADHO OCCOCC[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459525398 501669714 /nfs/dbraw/zinc/66/97/14/501669714.db2.gz MXPZQUHGIZNQFB-JOCHJYFZSA-N 1 3 360.542 3.152 20 0 FGADHO OCCOCC[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459525398 501669716 /nfs/dbraw/zinc/66/97/16/501669716.db2.gz MXPZQUHGIZNQFB-JOCHJYFZSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459532947 501671418 /nfs/dbraw/zinc/67/14/18/501671418.db2.gz DUELOCBJPSJZFR-QFIPXVFZSA-N 1 3 373.585 3.286 20 0 FGADHO COc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727080 501704871 /nfs/dbraw/zinc/70/48/71/501704871.db2.gz CEKGIVZFCPWLDN-GOSISDBHSA-N 1 3 369.509 3.491 20 0 FGADHO COc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727080 501704872 /nfs/dbraw/zinc/70/48/72/501704872.db2.gz CEKGIVZFCPWLDN-GOSISDBHSA-N 1 3 369.509 3.491 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c(C)c2)CC1 ZINC000477645645 501748660 /nfs/dbraw/zinc/74/86/60/501748660.db2.gz PHIXSAJJBRTNDT-LJQANCHMSA-N 1 3 372.557 3.340 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c(C)c2)CC1 ZINC000477645645 501748664 /nfs/dbraw/zinc/74/86/64/501748664.db2.gz PHIXSAJJBRTNDT-LJQANCHMSA-N 1 3 372.557 3.340 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000460178189 501750344 /nfs/dbraw/zinc/75/03/44/501750344.db2.gz VEFURZXGJUQMCS-IBGZPJMESA-N 1 3 374.573 3.113 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000460178189 501750345 /nfs/dbraw/zinc/75/03/45/501750345.db2.gz VEFURZXGJUQMCS-IBGZPJMESA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611717697 506271381 /nfs/dbraw/zinc/27/13/81/506271381.db2.gz IRKIHUDLZGEQFI-UHFFFAOYSA-N 1 3 374.573 3.414 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631930 501779968 /nfs/dbraw/zinc/77/99/68/501779968.db2.gz WICNQLXOYSUWLP-IBGZPJMESA-N 1 3 373.541 3.106 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631930 501779973 /nfs/dbraw/zinc/77/99/73/501779973.db2.gz WICNQLXOYSUWLP-IBGZPJMESA-N 1 3 373.541 3.106 20 0 FGADHO Cc1nn(C(C)C)cc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000467456359 501798871 /nfs/dbraw/zinc/79/88/71/501798871.db2.gz JWVDDELBJROHKS-HDICACEKSA-N 1 3 362.562 3.484 20 0 FGADHO Cc1nn(C(C)C)cc1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000467456359 501798873 /nfs/dbraw/zinc/79/88/73/501798873.db2.gz JWVDDELBJROHKS-HDICACEKSA-N 1 3 362.562 3.484 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417636 501814939 /nfs/dbraw/zinc/81/49/39/501814939.db2.gz WZKAOBYRWQLWRR-CNNODRBYSA-N 1 3 365.521 3.192 20 0 FGADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479897 501833053 /nfs/dbraw/zinc/83/30/53/501833053.db2.gz WZZYCIHVWHPIKD-OALUTQOASA-N 1 3 357.542 3.278 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477932989 501833373 /nfs/dbraw/zinc/83/33/73/501833373.db2.gz QXUZDNVOKWWCPX-INIZCTEOSA-N 1 3 367.559 3.221 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000464071298 501890331 /nfs/dbraw/zinc/89/03/31/501890331.db2.gz XAVZJAPGKLAIBJ-BHDDXSALSA-N 1 3 372.553 3.328 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)N(C)C)cc1 ZINC000468061279 501943343 /nfs/dbraw/zinc/94/33/43/501943343.db2.gz KRLSTJVGLFRQLT-HXUWFJFHSA-N 1 3 360.546 3.114 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000471216764 501958836 /nfs/dbraw/zinc/95/88/36/501958836.db2.gz RRTITAWTJCUXPX-LVCYWYKZSA-N 1 3 359.558 3.367 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000471216764 501958840 /nfs/dbraw/zinc/95/88/40/501958840.db2.gz RRTITAWTJCUXPX-LVCYWYKZSA-N 1 3 359.558 3.367 20 0 FGADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482115833 501979614 /nfs/dbraw/zinc/97/96/14/501979614.db2.gz UDPWCWDWSPBRFN-AVRDEDQJSA-N 1 3 350.510 3.117 20 0 FGADHO c1cc2c(s1)CCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482121808 501980793 /nfs/dbraw/zinc/98/07/93/501980793.db2.gz OMIYPBVKMAZERH-IBGZPJMESA-N 1 3 356.539 3.322 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000468429268 502056681 /nfs/dbraw/zinc/05/66/81/502056681.db2.gz STOWAOBGPPJSDT-KRWDZBQOSA-N 1 3 366.575 3.258 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468532961 502094991 /nfs/dbraw/zinc/09/49/91/502094991.db2.gz RPYRYDVBDOAUOQ-QUCCMNQESA-N 1 3 360.546 3.195 20 0 FGADHO CNC(=O)c1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833953 502148799 /nfs/dbraw/zinc/14/87/99/502148799.db2.gz DCPIPHHAXPWTIM-YADHBBJMSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cc1 ZINC000471833953 502148801 /nfs/dbraw/zinc/14/88/01/502148801.db2.gz DCPIPHHAXPWTIM-YADHBBJMSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cc1 ZINC000471833953 502148803 /nfs/dbraw/zinc/14/88/03/502148803.db2.gz DCPIPHHAXPWTIM-YADHBBJMSA-N 1 3 365.521 3.218 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1F ZINC000486439673 502154560 /nfs/dbraw/zinc/15/45/60/502154560.db2.gz YPVRMCUEPGBKSY-GOSISDBHSA-N 1 3 364.509 3.268 20 0 FGADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1F ZINC000486439673 502154564 /nfs/dbraw/zinc/15/45/64/502154564.db2.gz YPVRMCUEPGBKSY-GOSISDBHSA-N 1 3 364.509 3.268 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155820 /nfs/dbraw/zinc/15/58/20/502155820.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155826 /nfs/dbraw/zinc/15/58/26/502155826.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 1 3 372.557 3.099 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000479221165 502196254 /nfs/dbraw/zinc/19/62/54/502196254.db2.gz IJSHEXVWLLHYGK-FQEVSTJZSA-N 1 3 357.473 3.026 20 0 FGADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482886802 502206878 /nfs/dbraw/zinc/20/68/78/502206878.db2.gz HMPYHJIHBCQREQ-MAUKXSAKSA-N 1 3 372.431 3.255 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221498 502219300 /nfs/dbraw/zinc/21/93/00/502219300.db2.gz PWRDVOYMIUGVBC-PZJWPPBQSA-N 1 3 374.573 3.129 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221498 502219303 /nfs/dbraw/zinc/21/93/03/502219303.db2.gz PWRDVOYMIUGVBC-PZJWPPBQSA-N 1 3 374.573 3.129 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000472089874 502227574 /nfs/dbraw/zinc/22/75/74/502227574.db2.gz XFZQUFPMCJCLKH-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472110107 502235152 /nfs/dbraw/zinc/23/51/52/502235152.db2.gz HMEBYFWBMLPWCT-PZJWPPBQSA-N 1 3 372.557 3.339 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000465431616 502258859 /nfs/dbraw/zinc/25/88/59/502258859.db2.gz KKWJZMHEXUYPIZ-SFTDATJTSA-N 1 3 374.573 3.368 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000465431616 502258863 /nfs/dbraw/zinc/25/88/63/502258863.db2.gz KKWJZMHEXUYPIZ-SFTDATJTSA-N 1 3 374.573 3.368 20 0 FGADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279293 /nfs/dbraw/zinc/27/92/93/502279293.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 1 3 369.553 3.423 20 0 FGADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279297 /nfs/dbraw/zinc/27/92/97/502279297.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 1 3 369.553 3.423 20 0 FGADHO CN1CCC(O)(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000462123576 502314848 /nfs/dbraw/zinc/31/48/48/502314848.db2.gz RJBBXJMEXJZHCL-UHFFFAOYSA-N 1 3 374.475 3.165 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479702681 502349393 /nfs/dbraw/zinc/34/93/93/502349393.db2.gz FSAFVJRRJUCFMP-BGYRXZFFSA-N 1 3 366.594 3.262 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479702681 502349398 /nfs/dbraw/zinc/34/93/98/502349398.db2.gz FSAFVJRRJUCFMP-BGYRXZFFSA-N 1 3 366.594 3.262 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000479789586 502378490 /nfs/dbraw/zinc/37/84/90/502378490.db2.gz RZBJGXLVMQVWLB-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCCC[NH+](CC)CC)CC1 ZINC000472566868 502386004 /nfs/dbraw/zinc/38/60/04/502386004.db2.gz FNYBGFBQIIEYMG-GOSISDBHSA-N 1 3 364.553 3.350 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412459 /nfs/dbraw/zinc/41/24/59/502412459.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412461 /nfs/dbraw/zinc/41/24/61/502412461.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 1 3 374.573 3.174 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561600 502431182 /nfs/dbraw/zinc/43/11/82/502431182.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 1 3 369.553 3.374 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561600 502431185 /nfs/dbraw/zinc/43/11/85/502431185.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000487518988 502466243 /nfs/dbraw/zinc/46/62/43/502466243.db2.gz QLLRZXUUKNZOHV-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000487518988 502466246 /nfs/dbraw/zinc/46/62/46/502466246.db2.gz QLLRZXUUKNZOHV-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080304 502468095 /nfs/dbraw/zinc/46/80/95/502468095.db2.gz BATCTUAGZLKHLL-BZSNNMDCSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080304 502468097 /nfs/dbraw/zinc/46/80/97/502468097.db2.gz BATCTUAGZLKHLL-BZSNNMDCSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080304 502468099 /nfs/dbraw/zinc/46/80/99/502468099.db2.gz BATCTUAGZLKHLL-BZSNNMDCSA-N 1 3 353.576 3.077 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000483806063 502498239 /nfs/dbraw/zinc/49/82/39/502498239.db2.gz JQMPGYTZSRTRLI-SESVDKBCSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000483806063 502498244 /nfs/dbraw/zinc/49/82/44/502498244.db2.gz JQMPGYTZSRTRLI-SESVDKBCSA-N 1 3 372.557 3.165 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000487733991 502516846 /nfs/dbraw/zinc/51/68/46/502516846.db2.gz FVOVYYJDILFXPQ-QGZVFWFLSA-N 1 3 359.514 3.220 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000487733991 502516854 /nfs/dbraw/zinc/51/68/54/502516854.db2.gz FVOVYYJDILFXPQ-QGZVFWFLSA-N 1 3 359.514 3.220 20 0 FGADHO O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519588 /nfs/dbraw/zinc/51/95/88/502519588.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@@H](C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519593 /nfs/dbraw/zinc/51/95/93/502519593.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 1 3 356.432 3.288 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000473184583 502538912 /nfs/dbraw/zinc/53/89/12/502538912.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000473184583 502538916 /nfs/dbraw/zinc/53/89/16/502538916.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C(=O)OC)c(C)n2C)cc1 ZINC000462783634 502571322 /nfs/dbraw/zinc/57/13/22/502571322.db2.gz SPPOTPFNHHCDMI-UHFFFAOYSA-N 1 3 357.498 3.252 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000480488253 502580526 /nfs/dbraw/zinc/58/05/26/502580526.db2.gz IDJXCOOWJGWSPV-KNQAVFIVSA-N 1 3 371.569 3.056 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000480488253 502580529 /nfs/dbraw/zinc/58/05/29/502580529.db2.gz IDJXCOOWJGWSPV-KNQAVFIVSA-N 1 3 371.569 3.056 20 0 FGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553627 502601350 /nfs/dbraw/zinc/60/13/50/502601350.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553627 502601356 /nfs/dbraw/zinc/60/13/56/502601356.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 1 3 369.553 3.422 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1)C1CC1 ZINC000462883206 502612970 /nfs/dbraw/zinc/61/29/70/502612970.db2.gz KIQKFGMLMCHWNC-UHFFFAOYSA-N 1 3 365.477 3.405 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1)C1CC1 ZINC000462883206 502612978 /nfs/dbraw/zinc/61/29/78/502612978.db2.gz KIQKFGMLMCHWNC-UHFFFAOYSA-N 1 3 365.477 3.405 20 0 FGADHO C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000484284818 502614646 /nfs/dbraw/zinc/61/46/46/502614646.db2.gz PPMQWMGVABXGMA-GGPKGHCWSA-N 1 3 360.546 3.099 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595929 502614700 /nfs/dbraw/zinc/61/47/00/502614700.db2.gz PJVAWCBRZDVZFC-APWZRJJASA-N 1 3 372.513 3.270 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652400 /nfs/dbraw/zinc/65/24/00/502652400.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 1 3 371.569 3.397 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652401 /nfs/dbraw/zinc/65/24/01/502652401.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 1 3 371.569 3.397 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613975 502683299 /nfs/dbraw/zinc/68/32/99/502683299.db2.gz CEMQYOAQUMDBAQ-WNRNVDISSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613975 502683303 /nfs/dbraw/zinc/68/33/03/502683303.db2.gz CEMQYOAQUMDBAQ-WNRNVDISSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccco1 ZINC000488455282 502718928 /nfs/dbraw/zinc/71/89/28/502718928.db2.gz COMTWOREGSVIHL-KSZLIROESA-N 1 3 364.534 3.128 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1)N(C)C ZINC000481030386 502734547 /nfs/dbraw/zinc/73/45/47/502734547.db2.gz FNLVGOPKCPZYPB-QRFRQXIXSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000470352616 502746407 /nfs/dbraw/zinc/74/64/07/502746407.db2.gz GOXMRBRFMOCVMZ-JTSKRJEESA-N 1 3 363.505 3.415 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000470352616 502746411 /nfs/dbraw/zinc/74/64/11/502746411.db2.gz GOXMRBRFMOCVMZ-JTSKRJEESA-N 1 3 363.505 3.415 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000470367851 502751614 /nfs/dbraw/zinc/75/16/14/502751614.db2.gz UDTPSBNGQCEBDP-IBGZPJMESA-N 1 3 363.505 3.274 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000470367851 502751619 /nfs/dbraw/zinc/75/16/19/502751619.db2.gz UDTPSBNGQCEBDP-IBGZPJMESA-N 1 3 363.505 3.274 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000470367852 502752067 /nfs/dbraw/zinc/75/20/67/502752067.db2.gz UDTPSBNGQCEBDP-LJQANCHMSA-N 1 3 363.505 3.274 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000470367852 502752071 /nfs/dbraw/zinc/75/20/71/502752071.db2.gz UDTPSBNGQCEBDP-LJQANCHMSA-N 1 3 363.505 3.274 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474015324 502779530 /nfs/dbraw/zinc/77/95/30/502779530.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474015324 502779532 /nfs/dbraw/zinc/77/95/32/502779532.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470480700 502789605 /nfs/dbraw/zinc/78/96/05/502789605.db2.gz XOXWAPVSWCMORT-OAQYLSRUSA-N 1 3 374.573 3.459 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000500680290 502839074 /nfs/dbraw/zinc/83/90/74/502839074.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 1 3 372.557 3.012 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000500680290 502839078 /nfs/dbraw/zinc/83/90/78/502839078.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 1 3 372.557 3.012 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152641 502888703 /nfs/dbraw/zinc/88/87/03/502888703.db2.gz YHJHNQIIMZXVQX-ZCNNSNEGSA-N 1 3 364.578 3.014 20 0 FGADHO C[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2ccncc2)CC1 ZINC000501041615 502919519 /nfs/dbraw/zinc/91/95/19/502919519.db2.gz ZJEZLUCQVNKEQX-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2ccncc2)CC1 ZINC000501041615 502919523 /nfs/dbraw/zinc/91/95/23/502919523.db2.gz ZJEZLUCQVNKEQX-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO CC(C)[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000501162328 502952260 /nfs/dbraw/zinc/95/22/60/502952260.db2.gz ILXJGPXSCYBSHH-OAQYLSRUSA-N 1 3 374.573 3.304 20 0 FGADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961246 /nfs/dbraw/zinc/96/12/46/502961246.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 1 3 358.574 3.003 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961251 /nfs/dbraw/zinc/96/12/51/502961251.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 1 3 358.574 3.003 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+](C)Cc2cccc(OC)c2)CC1 ZINC000505696120 502968348 /nfs/dbraw/zinc/96/83/48/502968348.db2.gz YWDOBADWJJHFMP-UHFFFAOYSA-N 1 3 353.510 3.469 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC000505696120 502968353 /nfs/dbraw/zinc/96/83/53/502968353.db2.gz YWDOBADWJJHFMP-UHFFFAOYSA-N 1 3 353.510 3.469 20 0 FGADHO CC[NH+]1CCN(c2ccccc2CN(C)Cc2cccc(OC)c2)CC1 ZINC000505696120 502968357 /nfs/dbraw/zinc/96/83/57/502968357.db2.gz YWDOBADWJJHFMP-UHFFFAOYSA-N 1 3 353.510 3.469 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571729 502968543 /nfs/dbraw/zinc/96/85/43/502968543.db2.gz GPZYYZKFYJMSLF-SFTDATJTSA-N 1 3 357.542 3.278 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489758586 503027148 /nfs/dbraw/zinc/02/71/48/503027148.db2.gz NXDDLONZOZASBP-MOPGFXCFSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCCC[C@@H]1C ZINC000501519036 503027424 /nfs/dbraw/zinc/02/74/24/503027424.db2.gz UHDPIHCZUFFNRR-ZWKOTPCHSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCCC[C@H]1C ZINC000501519032 503028110 /nfs/dbraw/zinc/02/81/10/503028110.db2.gz UHDPIHCZUFFNRR-MSOLQXFVSA-N 1 3 352.567 3.203 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808569 503039464 /nfs/dbraw/zinc/03/94/64/503039464.db2.gz UKRKOWGTFANKBM-XUVXKRRUSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489811552 503040780 /nfs/dbraw/zinc/04/07/80/503040780.db2.gz QFINFXBVSAVWCZ-NHCUHLMSSA-N 1 3 374.573 3.065 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830260 503044146 /nfs/dbraw/zinc/04/41/46/503044146.db2.gz KBWOYXWKNMEAFV-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000501601543 503047508 /nfs/dbraw/zinc/04/75/08/503047508.db2.gz KRJGRTIUPMBBBL-OAQYLSRUSA-N 1 3 370.541 3.163 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000501601543 503047511 /nfs/dbraw/zinc/04/75/11/503047511.db2.gz KRJGRTIUPMBBBL-OAQYLSRUSA-N 1 3 370.541 3.163 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048381 /nfs/dbraw/zinc/04/83/81/503048381.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048386 /nfs/dbraw/zinc/04/83/86/503048386.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 1 3 357.542 3.276 20 0 FGADHO CCc1ccc(CN(C)C(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501775773 503077586 /nfs/dbraw/zinc/07/75/86/503077586.db2.gz NJNVTZXXKPWASF-UHFFFAOYSA-N 1 3 359.558 3.261 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000501811392 503084504 /nfs/dbraw/zinc/08/45/04/503084504.db2.gz XMVJWSFEJSMYCI-PXNSSMCTSA-N 1 3 360.546 3.025 20 0 FGADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000510293707 503086902 /nfs/dbraw/zinc/08/69/02/503086902.db2.gz AKXBCWFZCURNGK-ZWKOTPCHSA-N 1 3 351.922 3.323 20 0 FGADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293707 503086907 /nfs/dbraw/zinc/08/69/07/503086907.db2.gz AKXBCWFZCURNGK-ZWKOTPCHSA-N 1 3 351.922 3.323 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000514163622 503102455 /nfs/dbraw/zinc/10/24/55/503102455.db2.gz ZUWDVAFDJGUWCS-OAQYLSRUSA-N 1 3 374.573 3.415 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211016 503113805 /nfs/dbraw/zinc/11/38/05/503113805.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211016 503113808 /nfs/dbraw/zinc/11/38/08/503113808.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000514215014 503114877 /nfs/dbraw/zinc/11/48/77/503114877.db2.gz QIALOZVRUDWJCJ-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000514215014 503114880 /nfs/dbraw/zinc/11/48/80/503114880.db2.gz QIALOZVRUDWJCJ-SBHAEUEKSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030968 503129777 /nfs/dbraw/zinc/12/97/77/503129777.db2.gz IGUNVUUIYOVTDW-NJYVYQBISA-N 1 3 357.542 3.442 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000490219159 503133584 /nfs/dbraw/zinc/13/35/84/503133584.db2.gz WBPUFZWBJHXGLZ-FUHWJXTLSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@@H]1CCc2nc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)sc2C1 ZINC000498351468 503164360 /nfs/dbraw/zinc/16/43/60/503164360.db2.gz CJDCDEPVXHROMT-OAGGEKHMSA-N 1 3 351.560 3.247 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180355 /nfs/dbraw/zinc/18/03/55/503180355.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180357 /nfs/dbraw/zinc/18/03/57/503180357.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 1 3 364.578 3.157 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414389 503182705 /nfs/dbraw/zinc/18/27/05/503182705.db2.gz PHJKYHAKCNKFSS-VGUREELVSA-N 1 3 362.518 3.023 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414389 503182708 /nfs/dbraw/zinc/18/27/08/503182708.db2.gz PHJKYHAKCNKFSS-VGUREELVSA-N 1 3 362.518 3.023 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490812347 503230540 /nfs/dbraw/zinc/23/05/40/503230540.db2.gz KLGOPGBVWCXYEW-ZJOUEHCJSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490812347 503230541 /nfs/dbraw/zinc/23/05/41/503230541.db2.gz KLGOPGBVWCXYEW-ZJOUEHCJSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498696863 503241504 /nfs/dbraw/zinc/24/15/04/503241504.db2.gz SRTSMMFWQTVMIH-TZIWHRDSSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696863 503241506 /nfs/dbraw/zinc/24/15/06/503241506.db2.gz SRTSMMFWQTVMIH-TZIWHRDSSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109622 503274068 /nfs/dbraw/zinc/27/40/68/503274068.db2.gz TXVUUBVFNOYSIU-CPDPWVEUSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109622 503274071 /nfs/dbraw/zinc/27/40/71/503274071.db2.gz TXVUUBVFNOYSIU-CPDPWVEUSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507462428 503302768 /nfs/dbraw/zinc/30/27/68/503302768.db2.gz OYJDEHWXBGCMGD-NRSFXHEJSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507462428 503302769 /nfs/dbraw/zinc/30/27/69/503302769.db2.gz OYJDEHWXBGCMGD-NRSFXHEJSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507462428 503302771 /nfs/dbraw/zinc/30/27/71/503302771.db2.gz OYJDEHWXBGCMGD-NRSFXHEJSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H]([NH2+]CCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507462974 503303225 /nfs/dbraw/zinc/30/32/25/503303225.db2.gz QVUMATYTWDCQBK-PZJWPPBQSA-N 1 3 360.542 3.462 20 0 FGADHO C[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)CN(C)C ZINC000491573584 503320297 /nfs/dbraw/zinc/32/02/97/503320297.db2.gz SYPFODWSMLNJRD-OAHLLOKOSA-N 1 3 368.363 3.201 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503033321 503330115 /nfs/dbraw/zinc/33/01/15/503330115.db2.gz PWPMMVUZRCFOOG-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503033320 503330314 /nfs/dbraw/zinc/33/03/14/503330314.db2.gz PWPMMVUZRCFOOG-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000503086537 503344452 /nfs/dbraw/zinc/34/44/52/503344452.db2.gz UUYJNTBCNBIVGO-UYAOXDASSA-N 1 3 372.557 3.071 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000511648176 503361751 /nfs/dbraw/zinc/36/17/51/503361751.db2.gz LQRQNBWIBGZDOJ-NRFANRHFSA-N 1 3 357.542 3.375 20 0 FGADHO C[C@@H](NCCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198176 503365359 /nfs/dbraw/zinc/36/53/59/503365359.db2.gz KKOJXQFTNANEIF-MSOLQXFVSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@@H](NCCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198176 503365361 /nfs/dbraw/zinc/36/53/61/503365361.db2.gz KKOJXQFTNANEIF-MSOLQXFVSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000503198176 503365362 /nfs/dbraw/zinc/36/53/62/503365362.db2.gz KKOJXQFTNANEIF-MSOLQXFVSA-N 1 3 371.525 3.045 20 0 FGADHO CN(C)Cc1cnc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)s1 ZINC000511913140 503413582 /nfs/dbraw/zinc/41/35/82/503413582.db2.gz ZRFLXYZNMCQLKD-HXUWFJFHSA-N 1 3 358.555 3.349 20 0 FGADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892019 503453808 /nfs/dbraw/zinc/45/38/08/503453808.db2.gz RQDSPVWJQSWBHV-GZIXRCOHSA-N 1 3 371.447 3.188 20 0 FGADHO C[C@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155326 503456893 /nfs/dbraw/zinc/45/68/93/503456893.db2.gz LTNLXZPMEFYQLA-UGKGYDQZSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512416604 503543811 /nfs/dbraw/zinc/54/38/11/503543811.db2.gz ANHZPRKFLAZTNC-TZIWHRDSSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416604 503543815 /nfs/dbraw/zinc/54/38/15/503543815.db2.gz ANHZPRKFLAZTNC-TZIWHRDSSA-N 1 3 374.573 3.269 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504324425 503556530 /nfs/dbraw/zinc/55/65/30/503556530.db2.gz LCHVJACXGXFRBU-SFTDATJTSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504324425 503556533 /nfs/dbraw/zinc/55/65/33/503556533.db2.gz LCHVJACXGXFRBU-SFTDATJTSA-N 1 3 370.541 3.099 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000500154754 503565909 /nfs/dbraw/zinc/56/59/09/503565909.db2.gz HYKYIUHFZHHUCJ-HXUWFJFHSA-N 1 3 366.594 3.262 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500154754 503565910 /nfs/dbraw/zinc/56/59/10/503565910.db2.gz HYKYIUHFZHHUCJ-HXUWFJFHSA-N 1 3 366.594 3.262 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N(C)C ZINC000508869449 503583332 /nfs/dbraw/zinc/58/33/32/503583332.db2.gz ICXBZRJUQHILGW-DYXWJJEUSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508872395 503584288 /nfs/dbraw/zinc/58/42/88/503584288.db2.gz RQQGDYGBVRVAKA-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508872395 503584292 /nfs/dbraw/zinc/58/42/92/503584292.db2.gz RQQGDYGBVRVAKA-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620646 503597421 /nfs/dbraw/zinc/59/74/21/503597421.db2.gz RVCZVTSOKRIVNK-PCCBWWKXSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620646 503597426 /nfs/dbraw/zinc/59/74/26/503597426.db2.gz RVCZVTSOKRIVNK-PCCBWWKXSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620646 503597430 /nfs/dbraw/zinc/59/74/30/503597430.db2.gz RVCZVTSOKRIVNK-PCCBWWKXSA-N 1 3 350.510 3.218 20 0 FGADHO c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512670800 503608914 /nfs/dbraw/zinc/60/89/14/503608914.db2.gz BHWDUBYMJNSLDZ-PCCBWWKXSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670800 503608916 /nfs/dbraw/zinc/60/89/16/503608916.db2.gz BHWDUBYMJNSLDZ-PCCBWWKXSA-N 1 3 365.525 3.046 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670800 503608919 /nfs/dbraw/zinc/60/89/19/503608919.db2.gz BHWDUBYMJNSLDZ-PCCBWWKXSA-N 1 3 365.525 3.046 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000517148990 503655750 /nfs/dbraw/zinc/65/57/50/503655750.db2.gz NVAJRTRVFGJMOA-AQNXPRMDSA-N 1 3 364.578 3.014 20 0 FGADHO Fc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000536695966 503684356 /nfs/dbraw/zinc/68/43/56/503684356.db2.gz GUBMCNWGNMUUPW-UHFFFAOYSA-N 1 3 371.504 3.494 20 0 FGADHO CC(C)(C)[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248312 503697602 /nfs/dbraw/zinc/69/76/02/503697602.db2.gz WYGAIRFWWFLZNF-FQEVSTJZSA-N 1 3 357.542 3.267 20 0 FGADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221318 503716369 /nfs/dbraw/zinc/71/63/69/503716369.db2.gz DWLBJASSHKBWKK-LXZKKBNFSA-N 1 3 369.431 3.131 20 0 FGADHO CN1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472217 503752000 /nfs/dbraw/zinc/75/20/00/503752000.db2.gz WMQNOAPXHSJQIJ-LJQANCHMSA-N 1 3 358.530 3.178 20 0 FGADHO Cc1cc([C@H](NCCCC[N@@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404674 503756603 /nfs/dbraw/zinc/75/66/03/503756603.db2.gz PYYUUAJWSZDWNA-UNMCSNQZSA-N 1 3 371.500 3.445 20 0 FGADHO Cc1cc([C@H](NCCCC[N@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404674 503756607 /nfs/dbraw/zinc/75/66/07/503756607.db2.gz PYYUUAJWSZDWNA-UNMCSNQZSA-N 1 3 371.500 3.445 20 0 FGADHO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000540593399 503827030 /nfs/dbraw/zinc/82/70/30/503827030.db2.gz FLUPBIRXQUYGMH-CVEARBPZSA-N 1 3 357.498 3.233 20 0 FGADHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000533408871 503835118 /nfs/dbraw/zinc/83/51/18/503835118.db2.gz ISJMSCAXSAKGMF-UHFFFAOYSA-N 1 3 359.514 3.270 20 0 FGADHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533408871 503835120 /nfs/dbraw/zinc/83/51/20/503835120.db2.gz ISJMSCAXSAKGMF-UHFFFAOYSA-N 1 3 359.514 3.270 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000540628420 503837882 /nfs/dbraw/zinc/83/78/82/503837882.db2.gz ZTEOYXWFCFMCLG-WMZOPIPTSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1ccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628420 503837886 /nfs/dbraw/zinc/83/78/86/503837886.db2.gz ZTEOYXWFCFMCLG-WMZOPIPTSA-N 1 3 356.466 3.457 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCN1C1CCCC1 ZINC000527637320 503868990 /nfs/dbraw/zinc/86/89/90/503868990.db2.gz YLKIMPLSUOJLGR-OAQYLSRUSA-N 1 3 370.541 3.099 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000533534519 503878858 /nfs/dbraw/zinc/87/88/58/503878858.db2.gz LGUDPIAYHYOWKN-WOJBJXKFSA-N 1 3 371.569 3.260 20 0 FGADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676601 503890914 /nfs/dbraw/zinc/89/09/14/503890914.db2.gz UEDMCNSWCCIYLI-ROUUACIJSA-N 1 3 372.431 3.181 20 0 FGADHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC(C)C ZINC000530248551 503894233 /nfs/dbraw/zinc/89/42/33/503894233.db2.gz MFORHYHEHBGPTF-IBGZPJMESA-N 1 3 362.514 3.073 20 0 FGADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000533740943 503938343 /nfs/dbraw/zinc/93/83/43/503938343.db2.gz GBGWQENVGQGVRV-HOTGVXAUSA-N 1 3 350.551 3.234 20 0 FGADHO CSC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987514 503965613 /nfs/dbraw/zinc/96/56/13/503965613.db2.gz QPTOYKDMUMFPPH-OAHLLOKOSA-N 1 3 362.461 3.156 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000518452507 503989486 /nfs/dbraw/zinc/98/94/86/503989486.db2.gz ATCGNONNTZQESQ-GOSISDBHSA-N 1 3 374.573 3.448 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000518452507 503989492 /nfs/dbraw/zinc/98/94/92/503989492.db2.gz ATCGNONNTZQESQ-GOSISDBHSA-N 1 3 374.573 3.448 20 0 FGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043884 /nfs/dbraw/zinc/04/38/84/504043884.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 1 3 369.303 3.482 20 0 FGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043889 /nfs/dbraw/zinc/04/38/89/504043889.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 1 3 369.303 3.482 20 0 FGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216287 504046857 /nfs/dbraw/zinc/04/68/57/504046857.db2.gz KUZNNNMSWMQICX-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216287 504046851 /nfs/dbraw/zinc/04/68/51/504046851.db2.gz KUZNNNMSWMQICX-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO COC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000530701166 504057187 /nfs/dbraw/zinc/05/71/87/504057187.db2.gz FUBVZAXFHUHRBC-QZTJIDSGSA-N 1 3 374.525 3.185 20 0 FGADHO CN(CCOc1ccc(Cl)cc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000534219138 504074487 /nfs/dbraw/zinc/07/44/87/504074487.db2.gz LZOBYBKDRVGAJM-UHFFFAOYSA-N 1 3 374.356 3.330 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937256 504088820 /nfs/dbraw/zinc/08/88/20/504088820.db2.gz DBQWDEVDCPUUPV-JMSVASOKSA-N 1 3 369.303 3.039 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000530879888 504117685 /nfs/dbraw/zinc/11/76/85/504117685.db2.gz AFPGQWDOJOPEKB-GJZGRUSLSA-N 1 3 372.340 3.049 20 0 FGADHO CC(CN1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380904 504125880 /nfs/dbraw/zinc/12/58/80/504125880.db2.gz UKDUIEPIPNKAEV-FGZHOGPDSA-N 1 3 364.574 3.120 20 0 FGADHO CC(CN1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380904 504125888 /nfs/dbraw/zinc/12/58/88/504125888.db2.gz UKDUIEPIPNKAEV-FGZHOGPDSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000519479573 504229244 /nfs/dbraw/zinc/22/92/44/504229244.db2.gz DHDTWYAJFXAMED-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CN1CC=C(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000538385877 504229398 /nfs/dbraw/zinc/22/93/98/504229398.db2.gz LJHPRPSQZNRKMB-UHFFFAOYSA-N 1 3 370.541 3.124 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCCC2 ZINC000538406466 504237972 /nfs/dbraw/zinc/23/79/72/504237972.db2.gz GUIGTLLMISJXIS-OALUTQOASA-N 1 3 361.530 3.240 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541780931 504251840 /nfs/dbraw/zinc/25/18/40/504251840.db2.gz ISOCRTWTNOYNTK-KZNAEPCWSA-N 1 3 366.594 3.115 20 0 FGADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)Cc2ccccc2C1 ZINC000541882362 504289929 /nfs/dbraw/zinc/28/99/29/504289929.db2.gz FJDIKBQFZBVDGR-DNVJHFABSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)Cc2ccccc2C1 ZINC000541882362 504289933 /nfs/dbraw/zinc/28/99/33/504289933.db2.gz FJDIKBQFZBVDGR-DNVJHFABSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)Cc2ccccc2C1 ZINC000541882362 504289936 /nfs/dbraw/zinc/28/99/36/504289936.db2.gz FJDIKBQFZBVDGR-DNVJHFABSA-N 1 3 362.517 3.017 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528715240 504346210 /nfs/dbraw/zinc/34/62/10/504346210.db2.gz NMNBOPXIAADRHV-HOTGVXAUSA-N 1 3 374.529 3.047 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923829 504384805 /nfs/dbraw/zinc/38/48/05/504384805.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923829 504384812 /nfs/dbraw/zinc/38/48/12/504384812.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO CC[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000538880696 504403438 /nfs/dbraw/zinc/40/34/38/504403438.db2.gz NZQZUPUEBFVGKR-HXUWFJFHSA-N 1 3 360.546 3.267 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1)CC1CC1 ZINC000538948114 504425415 /nfs/dbraw/zinc/42/54/15/504425415.db2.gz FYBCHGIZKLAHRH-UHFFFAOYSA-N 1 3 368.525 3.029 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1)CC1CC1 ZINC000538948114 504425419 /nfs/dbraw/zinc/42/54/19/504425419.db2.gz FYBCHGIZKLAHRH-UHFFFAOYSA-N 1 3 368.525 3.029 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481469 504462030 /nfs/dbraw/zinc/46/20/30/504462030.db2.gz QOSYREVDWKXOMF-WIYYLYMNSA-N 1 3 354.494 3.058 20 0 FGADHO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539072143 504464435 /nfs/dbraw/zinc/46/44/35/504464435.db2.gz MOMZADKXXHYXJB-NHCUHLMSSA-N 1 3 357.542 3.427 20 0 FGADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071690 504464804 /nfs/dbraw/zinc/46/48/04/504464804.db2.gz YJDAHTCKFGEOBQ-QRVBRYPASA-N 1 3 361.530 3.191 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339357 504470855 /nfs/dbraw/zinc/47/08/55/504470855.db2.gz QSUNDWAWWBQFAE-SIKLNZKXSA-N 1 3 371.569 3.176 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000520339357 504470859 /nfs/dbraw/zinc/47/08/59/504470859.db2.gz QSUNDWAWWBQFAE-SIKLNZKXSA-N 1 3 371.569 3.176 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000520379654 504484038 /nfs/dbraw/zinc/48/40/38/504484038.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 1 3 360.546 3.200 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000520379654 504484040 /nfs/dbraw/zinc/48/40/40/504484040.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 1 3 360.546 3.200 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1csc2ccccc12 ZINC000532033565 504512122 /nfs/dbraw/zinc/51/21/22/504512122.db2.gz VLVPTBMMBYUQSN-UHFFFAOYSA-N 1 3 361.555 3.176 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000520902276 504607278 /nfs/dbraw/zinc/60/72/78/504607278.db2.gz XGVJRAUQBSPZCV-LJQANCHMSA-N 1 3 371.569 3.444 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521765 504680699 /nfs/dbraw/zinc/68/06/99/504680699.db2.gz MMHWKWGIEKEXSS-MFKMUULPSA-N 1 3 350.816 3.096 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521765 504680703 /nfs/dbraw/zinc/68/07/03/504680703.db2.gz MMHWKWGIEKEXSS-MFKMUULPSA-N 1 3 350.816 3.096 20 0 FGADHO CCc1oc2ccccc2c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000539825208 504705990 /nfs/dbraw/zinc/70/59/90/504705990.db2.gz NTPRGUSKPRLQCB-PXNSSMCTSA-N 1 3 355.526 3.453 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000539861647 504720949 /nfs/dbraw/zinc/72/09/49/504720949.db2.gz XEBMDPINOVPBAZ-ROUUACIJSA-N 1 3 358.526 3.333 20 0 FGADHO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(OCCN(C)C)cc1 ZINC000552922992 504788512 /nfs/dbraw/zinc/78/85/12/504788512.db2.gz DDMOVWBIDAJNOH-JXFKEZNVSA-N 1 3 360.473 3.020 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234061 504825260 /nfs/dbraw/zinc/82/52/60/504825260.db2.gz ULBDCTFLYCSEFW-CRAIPNDOSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234061 504825264 /nfs/dbraw/zinc/82/52/64/504825264.db2.gz ULBDCTFLYCSEFW-CRAIPNDOSA-N 1 3 373.463 3.370 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472591 504831653 /nfs/dbraw/zinc/83/16/53/504831653.db2.gz SRALUNYUWBLFHD-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549472591 504831658 /nfs/dbraw/zinc/83/16/58/504831658.db2.gz SRALUNYUWBLFHD-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO CC[C@@H](c1ccncc1)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553143256 504836963 /nfs/dbraw/zinc/83/69/63/504836963.db2.gz DSUXFTANZXEQGQ-NRFANRHFSA-N 1 3 372.557 3.187 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000553268477 504869143 /nfs/dbraw/zinc/86/91/43/504869143.db2.gz NHPPDKMGBMXWTM-JOCHJYFZSA-N 1 3 369.553 3.450 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391829 504902104 /nfs/dbraw/zinc/90/21/04/504902104.db2.gz JQFDODVUKMNDCA-YADHBBJMSA-N 1 3 365.521 3.236 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391829 504902106 /nfs/dbraw/zinc/90/21/06/504902106.db2.gz JQFDODVUKMNDCA-YADHBBJMSA-N 1 3 365.521 3.236 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742869 504921426 /nfs/dbraw/zinc/92/14/26/504921426.db2.gz GUAYBSZGBSJCPM-HLIPFELVSA-N 1 3 362.514 3.403 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000562751395 504933475 /nfs/dbraw/zinc/93/34/75/504933475.db2.gz QTTOMGDFEZTUGJ-TZIWHRDSSA-N 1 3 354.498 3.103 20 0 FGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599114 504933628 /nfs/dbraw/zinc/93/36/28/504933628.db2.gz KOHPGCZEHJGYKZ-RXVVDRJESA-N 1 3 365.521 3.484 20 0 FGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599114 504933633 /nfs/dbraw/zinc/93/36/33/504933633.db2.gz KOHPGCZEHJGYKZ-RXVVDRJESA-N 1 3 365.521 3.484 20 0 FGADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000553770716 505004730 /nfs/dbraw/zinc/00/47/30/505004730.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000553770716 505004733 /nfs/dbraw/zinc/00/47/33/505004733.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553775241 505006457 /nfs/dbraw/zinc/00/64/57/505006457.db2.gz SHNHFOBQGVAGIA-YFVAEKQCSA-N 1 3 373.516 3.123 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985182 505009657 /nfs/dbraw/zinc/00/96/57/505009657.db2.gz ICVAMZVQXQYEGS-ZFWWWQNUSA-N 1 3 361.313 3.055 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963813 505032365 /nfs/dbraw/zinc/03/23/65/505032365.db2.gz JSAJSXNKZDELBN-MOPGFXCFSA-N 1 3 374.916 3.448 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000560265078 505033726 /nfs/dbraw/zinc/03/37/26/505033726.db2.gz DGCKGDCGJUNROJ-FCHUYYIVSA-N 1 3 357.542 3.362 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000560265078 505033731 /nfs/dbraw/zinc/03/37/31/505033731.db2.gz DGCKGDCGJUNROJ-FCHUYYIVSA-N 1 3 357.542 3.362 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000556985020 505037757 /nfs/dbraw/zinc/03/77/57/505037757.db2.gz WNVSSPIFQNXHFB-VJBMBRPKSA-N 1 3 364.537 3.376 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036127 505049269 /nfs/dbraw/zinc/04/92/69/505049269.db2.gz ZNGCVSKTFOYMNY-NVXWUHKLSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036127 505049273 /nfs/dbraw/zinc/04/92/73/505049273.db2.gz ZNGCVSKTFOYMNY-NVXWUHKLSA-N 1 3 356.514 3.107 20 0 FGADHO CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCC(C)CC1 ZINC000557051528 505054237 /nfs/dbraw/zinc/05/42/37/505054237.db2.gz IQOSMRWODMRVAY-LJQANCHMSA-N 1 3 374.529 3.047 20 0 FGADHO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000553975772 505058337 /nfs/dbraw/zinc/05/83/37/505058337.db2.gz MQSYYZNHFKONOP-SIKLNZKXSA-N 1 3 371.569 3.272 20 0 FGADHO COC(=O)c1csc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560528126 505115665 /nfs/dbraw/zinc/11/56/65/505115665.db2.gz NRZBCZVGVPLNMT-ZNMIVQPWSA-N 1 3 354.516 3.075 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)N(C)C)cc1 ZINC000554217072 505117852 /nfs/dbraw/zinc/11/78/52/505117852.db2.gz UYYDYUNQVKVFOO-YYWHXJBOSA-N 1 3 372.557 3.120 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244452 505121910 /nfs/dbraw/zinc/12/19/10/505121910.db2.gz UXXUSAXJGKEFRT-LZLYRXPVSA-N 1 3 358.461 3.176 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)c1ccccc1 ZINC000566286979 505134834 /nfs/dbraw/zinc/13/48/34/505134834.db2.gz ORXFBKZTKIVNRP-QFIPXVFZSA-N 1 3 365.521 3.261 20 0 FGADHO CCOc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000557549788 505164389 /nfs/dbraw/zinc/16/43/89/505164389.db2.gz IUOONGOYEOLMIG-UHFFFAOYSA-N 1 3 359.514 3.220 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000560833966 505198408 /nfs/dbraw/zinc/19/84/08/505198408.db2.gz PIGDAVAJKLTOME-QFIPXVFZSA-N 1 3 365.521 3.161 20 0 FGADHO COCC[NH+](CCOC)C1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000557721434 505213114 /nfs/dbraw/zinc/21/31/14/505213114.db2.gz GBWBAZBFMMEBIE-UHFFFAOYSA-N 1 3 357.498 3.107 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000561046038 505237323 /nfs/dbraw/zinc/23/73/23/505237323.db2.gz RGNOOQRTIVWNLZ-UHFFFAOYSA-N 1 3 356.514 3.108 20 0 FGADHO C[C@](CO)(CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000563804499 505243893 /nfs/dbraw/zinc/24/38/93/505243893.db2.gz PTLZNJUYPMGLQY-YMPZKCBVSA-N 1 3 366.505 3.073 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(C)(C)C)CC2)CC1 ZINC000566806836 505278040 /nfs/dbraw/zinc/27/80/40/505278040.db2.gz WWGAEEVPZSIDCA-UHFFFAOYSA-N 1 3 351.579 3.371 20 0 FGADHO CN1CCC2(CCCN2C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000561212314 505282424 /nfs/dbraw/zinc/28/24/24/505282424.db2.gz XAXUXNXOQRWICA-HXUWFJFHSA-N 1 3 366.509 3.109 20 0 FGADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012324 505285632 /nfs/dbraw/zinc/28/56/32/505285632.db2.gz POFWCCPBWPXZQZ-JQVVWYNYSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022186 505288307 /nfs/dbraw/zinc/28/83/07/505288307.db2.gz HWVJMFVFITYAQO-NNMXDRDESA-N 1 3 369.553 3.087 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280731 505302601 /nfs/dbraw/zinc/30/26/01/505302601.db2.gz OQMFWUIBTBGDQC-ICSRJNTNSA-N 1 3 359.445 3.199 20 0 FGADHO C[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@H](c2ccccc2)C1 ZINC000566968291 505326559 /nfs/dbraw/zinc/32/65/59/505326559.db2.gz MPPVMWMAJVZXNX-KFKAGJAMSA-N 1 3 353.514 3.334 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328940 /nfs/dbraw/zinc/32/89/40/505328940.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 1 3 363.571 3.259 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328943 /nfs/dbraw/zinc/32/89/43/505328943.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 1 3 363.571 3.259 20 0 FGADHO COc1cccc(O[C@H](C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000567159387 505381031 /nfs/dbraw/zinc/38/10/31/505381031.db2.gz UHTSFDWEIWBWJQ-BUVFEPMLSA-N 1 3 368.477 3.308 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000558598426 505434664 /nfs/dbraw/zinc/43/46/64/505434664.db2.gz AUWWWNIXCSSTSC-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000558598426 505434668 /nfs/dbraw/zinc/43/46/68/505434668.db2.gz AUWWWNIXCSSTSC-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454353 /nfs/dbraw/zinc/45/43/53/505454353.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454357 /nfs/dbraw/zinc/45/43/57/505454357.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452940 505468304 /nfs/dbraw/zinc/46/83/04/505468304.db2.gz BCTCMNVWFCMWDC-IIBYNOLFSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452940 505468310 /nfs/dbraw/zinc/46/83/10/505468310.db2.gz BCTCMNVWFCMWDC-IIBYNOLFSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093067 505516317 /nfs/dbraw/zinc/51/63/17/505516317.db2.gz UWRVKSCZDULSAH-WFASDCNBSA-N 1 3 368.403 3.271 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093067 505516322 /nfs/dbraw/zinc/51/63/22/505516322.db2.gz UWRVKSCZDULSAH-WFASDCNBSA-N 1 3 368.403 3.271 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000564793390 505521914 /nfs/dbraw/zinc/52/19/14/505521914.db2.gz GRJPWQULVCEZOU-SFHVURJKSA-N 1 3 362.901 3.240 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647089 505523226 /nfs/dbraw/zinc/52/32/26/505523226.db2.gz SSSVVMLPLMQVRG-TZIWHRDSSA-N 1 3 350.510 3.251 20 0 FGADHO Cc1ccccc1OC[C@@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000567677899 505533548 /nfs/dbraw/zinc/53/35/48/505533548.db2.gz DFJDOOUNGWSDGM-NRFANRHFSA-N 1 3 354.494 3.120 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000562181586 505534090 /nfs/dbraw/zinc/53/40/90/505534090.db2.gz SVOKZIUGJHFCBY-YYWHXJBOSA-N 1 3 359.558 3.478 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(CC)CC)cc1 ZINC000562181586 505534094 /nfs/dbraw/zinc/53/40/94/505534094.db2.gz SVOKZIUGJHFCBY-YYWHXJBOSA-N 1 3 359.558 3.478 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680715 505534251 /nfs/dbraw/zinc/53/42/51/505534251.db2.gz CXQJUDOQZIUBOW-AZUAARDMSA-N 1 3 356.510 3.290 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000582833055 506446147 /nfs/dbraw/zinc/44/61/47/506446147.db2.gz FYXXXJUGSNZZFG-WOJBJXKFSA-N 1 3 354.498 3.103 20 0 FGADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197033 506478902 /nfs/dbraw/zinc/47/89/02/506478902.db2.gz UUGGBRYYWXOMDX-SFHVURJKSA-N 1 3 362.514 3.181 20 0 FGADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693365 506668296 /nfs/dbraw/zinc/66/82/96/506668296.db2.gz PWDDOPOZTXNQEA-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441382 506781761 /nfs/dbraw/zinc/78/17/61/506781761.db2.gz YTLGIVCGBHAJOJ-IIYDPXPESA-N 1 3 368.308 3.030 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901309 /nfs/dbraw/zinc/90/13/09/506901309.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 1 3 363.505 3.000 20 0 FGADHO CNC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901316 /nfs/dbraw/zinc/90/13/16/506901316.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 1 3 363.505 3.000 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491388 507117572 /nfs/dbraw/zinc/11/75/72/507117572.db2.gz PLWVZYREPWRNDM-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491388 507117574 /nfs/dbraw/zinc/11/75/74/507117574.db2.gz PLWVZYREPWRNDM-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000600831853 507141447 /nfs/dbraw/zinc/14/14/47/507141447.db2.gz HCPDBMFDGDUYHB-PMACEKPBSA-N 1 3 360.546 3.243 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600980877 507214178 /nfs/dbraw/zinc/21/41/78/507214178.db2.gz MPDDPVWBAZHXJP-DENIHFKCSA-N 1 3 371.569 3.319 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452006 507255706 /nfs/dbraw/zinc/25/57/06/507255706.db2.gz NSFZZQVAKCYTSV-GOSISDBHSA-N 1 3 373.541 3.011 20 0 FGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015363 507354952 /nfs/dbraw/zinc/35/49/52/507354952.db2.gz CQTTUJQKKRONGT-BLLLJJGKSA-N 1 3 370.278 3.210 20 0 FGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015363 507354958 /nfs/dbraw/zinc/35/49/58/507354958.db2.gz CQTTUJQKKRONGT-BLLLJJGKSA-N 1 3 370.278 3.210 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000584617427 507432631 /nfs/dbraw/zinc/43/26/31/507432631.db2.gz UCTSRYYMIGWNSM-CTNGQTDRSA-N 1 3 358.530 3.054 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000606659594 507472397 /nfs/dbraw/zinc/47/23/97/507472397.db2.gz OOTBDALOIJVJOW-QKNQBKEWSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CCC2)C1 ZINC000615193029 507773979 /nfs/dbraw/zinc/77/39/79/507773979.db2.gz CYLQUAJFAWXLBU-UGKGYDQZSA-N 1 3 369.553 3.199 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416981 /nfs/dbraw/zinc/41/69/81/568416981.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416982 /nfs/dbraw/zinc/41/69/82/568416982.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000105459240 700501030 /nfs/dbraw/zinc/50/10/30/700501030.db2.gz LBNONYQJTULCOF-UHFFFAOYSA-N 1 3 350.869 3.405 20 0 FGADHO COc1cc(Cl)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1Cl ZINC000157235212 705148819 /nfs/dbraw/zinc/14/88/19/705148819.db2.gz HWEKKGNDHQKEBX-UHFFFAOYSA-N 1 3 360.329 3.119 20 0 FGADHO COc1cc(Cl)c(CNCCC[N@H+]2CCCN(C)CC2)cc1Cl ZINC000157235212 705148821 /nfs/dbraw/zinc/14/88/21/705148821.db2.gz HWEKKGNDHQKEBX-UHFFFAOYSA-N 1 3 360.329 3.119 20 0 FGADHO CCC[NH+]1CCC(NCCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000158070598 705171435 /nfs/dbraw/zinc/17/14/35/705171435.db2.gz DNZHVVRVTSOXEO-UHFFFAOYSA-N 1 3 353.894 3.141 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000160476703 705254415 /nfs/dbraw/zinc/25/44/15/705254415.db2.gz SEWJCYSOFRLGNC-KSZLIROESA-N 1 3 353.551 3.486 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725612 /nfs/dbraw/zinc/72/56/12/705725612.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725616 /nfs/dbraw/zinc/72/56/16/705725616.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 1 3 353.551 3.297 20 0 FGADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000521941134 714157924 /nfs/dbraw/zinc/15/79/24/714157924.db2.gz ZPDHJUVPWZGXIE-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000521941134 714157928 /nfs/dbraw/zinc/15/79/28/714157928.db2.gz ZPDHJUVPWZGXIE-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812590 714254120 /nfs/dbraw/zinc/25/41/20/714254120.db2.gz MFWIVYLLIIEXDK-FUHWJXTLSA-N 1 3 366.575 3.161 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812590 714254123 /nfs/dbraw/zinc/25/41/23/714254123.db2.gz MFWIVYLLIIEXDK-FUHWJXTLSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCN1C ZINC000525758907 714375910 /nfs/dbraw/zinc/37/59/10/714375910.db2.gz SFFJLVZFJFJOJA-JLSDUUJJSA-N 1 3 352.906 3.470 20 0 FGADHO Cc1cc(Br)cn2c(C[N@@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cnc12 ZINC000577902761 714470583 /nfs/dbraw/zinc/47/05/83/714470583.db2.gz RANYKRAMZVRMHJ-XJKSGUPXSA-N 1 3 365.319 3.177 20 0 FGADHO Cc1cc(Br)cn2c(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cnc12 ZINC000577902761 714470584 /nfs/dbraw/zinc/47/05/84/714470584.db2.gz RANYKRAMZVRMHJ-XJKSGUPXSA-N 1 3 365.319 3.177 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000642630907 717985882 /nfs/dbraw/zinc/98/58/82/717985882.db2.gz QPRSQXCHIPQCLG-IMJJTQAJSA-N 1 3 365.905 3.282 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630907 717985883 /nfs/dbraw/zinc/98/58/83/717985883.db2.gz QPRSQXCHIPQCLG-IMJJTQAJSA-N 1 3 365.905 3.282 20 0 FGADHO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504461 714663534 /nfs/dbraw/zinc/66/35/34/714663534.db2.gz XCVWVNGPKKNAQI-ZDUSSCGKSA-N 1 3 365.905 3.396 20 0 FGADHO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504461 714663535 /nfs/dbraw/zinc/66/35/35/714663535.db2.gz XCVWVNGPKKNAQI-ZDUSSCGKSA-N 1 3 365.905 3.396 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623396344 715326948 /nfs/dbraw/zinc/32/69/48/715326948.db2.gz PCZRERHOGGFLFH-JKSUJKDBSA-N 1 3 351.922 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396344 715326955 /nfs/dbraw/zinc/32/69/55/715326955.db2.gz PCZRERHOGGFLFH-JKSUJKDBSA-N 1 3 351.922 3.390 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccsc1 ZINC000623420826 715332218 /nfs/dbraw/zinc/33/22/18/715332218.db2.gz PLOLFAQKLYQSOZ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420826 715332221 /nfs/dbraw/zinc/33/22/21/715332221.db2.gz PLOLFAQKLYQSOZ-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121304 715477599 /nfs/dbraw/zinc/47/75/99/715477599.db2.gz SVZKIDAQZAXBIK-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121304 715477602 /nfs/dbraw/zinc/47/76/02/715477602.db2.gz SVZKIDAQZAXBIK-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121304 715477604 /nfs/dbraw/zinc/47/76/04/715477604.db2.gz SVZKIDAQZAXBIK-AEFFLSMTSA-N 1 3 365.949 3.399 20 0 FGADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000636005895 717221516 /nfs/dbraw/zinc/22/15/16/717221516.db2.gz QXMBWYACQMRMHP-UHFFFAOYSA-N 1 3 365.905 3.093 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000638067120 717405822 /nfs/dbraw/zinc/40/58/22/717405822.db2.gz AJWGZWBHLZCTAC-GJZGRUSLSA-N 1 3 371.428 3.186 20 0 FGADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CC4CCSCC4)CC3)C2)cc1 ZINC000639163420 717526763 /nfs/dbraw/zinc/52/67/63/717526763.db2.gz XZDVYEWCPKVVHK-NRFANRHFSA-N 1 3 359.583 3.022 20 0 FGADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CC4CCSCC4)CC3)C2)cc1 ZINC000639163420 717526764 /nfs/dbraw/zinc/52/67/64/717526764.db2.gz XZDVYEWCPKVVHK-NRFANRHFSA-N 1 3 359.583 3.022 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210939 717532277 /nfs/dbraw/zinc/53/22/77/717532277.db2.gz PQEDONOQAMLYFQ-HOJAQTOUSA-N 1 3 360.567 3.399 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758514 717599146 /nfs/dbraw/zinc/59/91/46/717599146.db2.gz VVYNMHFYEQEUMV-IAGOWNOFSA-N 1 3 361.555 3.218 20 0 FGADHO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 ZINC000647249041 718343398 /nfs/dbraw/zinc/34/33/98/718343398.db2.gz ZCYOXTNXWAPJQA-MJGOQNOKSA-N 1 3 358.555 3.424 20 0 FGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000655825996 719344902 /nfs/dbraw/zinc/34/49/02/719344902.db2.gz BGVJBCMHFFPYAF-BJHJDKERSA-N 1 3 354.285 3.004 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657366829 719634822 /nfs/dbraw/zinc/63/48/22/719634822.db2.gz KSBSNTHBQUSJBM-KBPBESRZSA-N 1 3 360.420 3.406 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113507 719759362 /nfs/dbraw/zinc/75/93/62/719759362.db2.gz GYZRMZJLZULGEV-OHNKGQGDSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113507 719759386 /nfs/dbraw/zinc/75/93/86/719759386.db2.gz GYZRMZJLZULGEV-OHNKGQGDSA-N 1 3 352.563 3.185 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143682 719762624 /nfs/dbraw/zinc/76/26/24/719762624.db2.gz ZTFCLLVROFUOGQ-ROUUACIJSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143682 719762627 /nfs/dbraw/zinc/76/26/27/719762627.db2.gz ZTFCLLVROFUOGQ-ROUUACIJSA-N 1 3 357.523 3.185 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3nsc4ccccc43)CC2)CC1 ZINC000660834698 720131091 /nfs/dbraw/zinc/13/10/91/720131091.db2.gz PSQIYOJHDVVGIY-UHFFFAOYSA-N 1 3 358.555 3.288 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662279724 720409081 /nfs/dbraw/zinc/40/90/81/720409081.db2.gz BLLKIJYZGGPQSM-AEFFLSMTSA-N 1 3 356.482 3.275 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC000662284225 720409824 /nfs/dbraw/zinc/40/98/24/720409824.db2.gz MDIMAQNVPYWDJV-OIISXLGYSA-N 1 3 356.482 3.418 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296748 720411478 /nfs/dbraw/zinc/41/14/78/720411478.db2.gz MZAGOSIEMHYJTM-DOTOQJQBSA-N 1 3 361.555 3.447 20 0 FGADHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000665194123 720741458 /nfs/dbraw/zinc/74/14/58/720741458.db2.gz XHQSOFFOQKWKHE-HNNXBMFYSA-N 1 3 354.926 3.350 20 0 FGADHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000665194123 720741460 /nfs/dbraw/zinc/74/14/60/720741460.db2.gz XHQSOFFOQKWKHE-HNNXBMFYSA-N 1 3 354.926 3.350 20 0 FGADHO CN(C)Cc1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164963975 722023692 /nfs/dbraw/zinc/02/36/92/722023692.db2.gz UWWIAHAWOYDFTN-UHFFFAOYSA-N 1 3 365.525 3.031 20 0 FGADHO CN(C)Cc1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164963975 722023694 /nfs/dbraw/zinc/02/36/94/722023694.db2.gz UWWIAHAWOYDFTN-UHFFFAOYSA-N 1 3 365.525 3.031 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571860 /nfs/dbraw/zinc/57/18/60/722571860.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 1 3 353.551 3.440 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571861 /nfs/dbraw/zinc/57/18/61/722571861.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 1 3 353.551 3.440 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817700 723542812 /nfs/dbraw/zinc/54/28/12/723542812.db2.gz PQLOFULBBCGVQP-FFZOFVMBSA-N 1 3 368.949 3.274 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817700 723542815 /nfs/dbraw/zinc/54/28/15/723542815.db2.gz PQLOFULBBCGVQP-FFZOFVMBSA-N 1 3 368.949 3.274 20 0 FGADHO C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000798187888 723912115 /nfs/dbraw/zinc/91/21/15/723912115.db2.gz VFDJZKMTQRRMMW-XNIRIUNOSA-N 1 3 351.535 3.285 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000775031811 723954228 /nfs/dbraw/zinc/95/42/28/723954228.db2.gz TZBSPJQPFIRBIU-QZTJIDSGSA-N 1 3 367.331 3.225 20 0 FGADHO Fc1ccc([C@H]2CN(CC[NH+]3CCCC3)CCO2)cc1Br ZINC000775732530 724033128 /nfs/dbraw/zinc/03/31/28/724033128.db2.gz FQNHCFMKRGLJHE-MRXNPFEDSA-N 1 3 357.267 3.057 20 0 FGADHO CC[NH+]1CCC(CNCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000800232393 724169900 /nfs/dbraw/zinc/16/99/00/724169900.db2.gz HURWKVQAXGFASW-UHFFFAOYSA-N 1 3 354.520 3.312 20 0 FGADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195823 725296065 /nfs/dbraw/zinc/29/60/65/725296065.db2.gz DQPJJBSOUDFBCT-HXUWFJFHSA-N 1 3 355.542 3.361 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862429 /nfs/dbraw/zinc/86/24/29/726862429.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 1 3 353.551 3.296 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862434 /nfs/dbraw/zinc/86/24/34/726862434.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 1 3 353.551 3.296 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819135445 727351004 /nfs/dbraw/zinc/35/10/04/727351004.db2.gz XDHIZFPEAHIDAS-IOASZLSFSA-N 1 3 359.283 3.084 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513344 729808910 /nfs/dbraw/zinc/80/89/10/729808910.db2.gz KYBYIXLCGXZHLA-OWSLCNJRSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513344 729808913 /nfs/dbraw/zinc/80/89/13/729808913.db2.gz KYBYIXLCGXZHLA-OWSLCNJRSA-N 1 3 351.535 3.381 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc(Cl)n1 ZINC000841856000 730281436 /nfs/dbraw/zinc/28/14/36/730281436.db2.gz KUXQSXJAQHMCFJ-DLBZAZTESA-N 1 3 360.889 3.030 20 0 FGADHO Clc1ncc(Br)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000842702228 730533190 /nfs/dbraw/zinc/53/31/90/730533190.db2.gz HAZFEYHIDHHDFA-UHFFFAOYSA-N 1 3 358.711 3.462 20 0 FGADHO CC(C)n1ncc2cc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125725 730589064 /nfs/dbraw/zinc/58/90/64/730589064.db2.gz GIHVWAFHIOGIBK-GJZGRUSLSA-N 1 3 361.921 3.487 20 0 FGADHO CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843353833 730610047 /nfs/dbraw/zinc/61/00/47/730610047.db2.gz MFKLPWLPKILRHN-UHFFFAOYSA-N 1 3 361.820 3.082 20 0 FGADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707300 /nfs/dbraw/zinc/70/73/00/730707300.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 1 3 351.535 3.098 20 0 FGADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707301 /nfs/dbraw/zinc/70/73/01/730707301.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 1 3 351.535 3.098 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000848241280 731148443 /nfs/dbraw/zinc/14/84/43/731148443.db2.gz LULJBFGLKAKPSH-RTBURBONSA-N 1 3 373.944 3.004 20 0 FGADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529041 731176075 /nfs/dbraw/zinc/17/60/75/731176075.db2.gz QRIRFJDVXUVUAO-MSOLQXFVSA-N 1 3 373.324 3.260 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000849276218 731240581 /nfs/dbraw/zinc/24/05/81/731240581.db2.gz CNHCDFDQEXVFPR-LBPRGKRZSA-N 1 3 360.930 3.038 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000849276218 731240583 /nfs/dbraw/zinc/24/05/83/731240583.db2.gz CNHCDFDQEXVFPR-LBPRGKRZSA-N 1 3 360.930 3.038 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491477 732220270 /nfs/dbraw/zinc/22/02/70/732220270.db2.gz IRQHZLOKVRSARK-RCCFBDPRSA-N 1 3 353.551 3.486 20 0 FGADHO Clc1cc(CNCc2cc3c(s2)CC[NH2+]C3)cc2c1OCCO2 ZINC000873212005 735738769 /nfs/dbraw/zinc/73/87/69/735738769.db2.gz WGXAKHLMXDFPEW-UHFFFAOYSA-N 1 3 350.871 3.108 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292573 735747112 /nfs/dbraw/zinc/74/71/12/735747112.db2.gz ULHGNWGZKJMOCH-HIFRSBDPSA-N 1 3 362.905 3.036 20 0 FGADHO CCN1CC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190114 742250602 /nfs/dbraw/zinc/25/06/02/742250602.db2.gz JEIZSWOEGDWNMS-OOKSDGMUSA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387781 758910548 /nfs/dbraw/zinc/91/05/48/758910548.db2.gz AZHWGYVNEZNSNR-RRCSTGOVSA-N 1 3 362.461 3.336 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387781 758910554 /nfs/dbraw/zinc/91/05/54/758910554.db2.gz AZHWGYVNEZNSNR-RRCSTGOVSA-N 1 3 362.461 3.336 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391400 759109878 /nfs/dbraw/zinc/10/98/78/759109878.db2.gz FEMXULDOYJNZIR-RNJTYBCJSA-N 1 3 373.324 3.388 20 0 FGADHO [NH3+]CC[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483963 759129363 /nfs/dbraw/zinc/12/93/63/759129363.db2.gz UOSRDKXFDMGCSL-GFCCVEGCSA-N 1 3 350.260 3.275 20 0 FGADHO C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000925216361 759462497 /nfs/dbraw/zinc/46/24/97/759462497.db2.gz JTQOMEBIJSXCRK-MRXNPFEDSA-N 1 3 360.523 3.144 20 0 FGADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736591 /nfs/dbraw/zinc/73/65/91/762736591.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736596 /nfs/dbraw/zinc/73/65/96/762736596.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049483489 766786324 /nfs/dbraw/zinc/78/63/24/766786324.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 1 3 361.555 3.044 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049483489 766786331 /nfs/dbraw/zinc/78/63/31/766786331.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 1 3 361.555 3.044 20 0 FGADHO COc1ccc2cc(C[N@H+](C)C[C@H](O)[C@@H](N)Cc3ccccc3)ccc2c1 ZINC000567897470 505570810 /nfs/dbraw/zinc/57/08/10/505570810.db2.gz QWSPQVCEZURNEJ-GOTSBHOMSA-N 1 3 364.489 3.211 20 0 FGADHO COc1ccc2cc(C[N@@H+](C)C[C@H](O)[C@@H](N)Cc3ccccc3)ccc2c1 ZINC000567897470 505570812 /nfs/dbraw/zinc/57/08/12/505570812.db2.gz QWSPQVCEZURNEJ-GOTSBHOMSA-N 1 3 364.489 3.211 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839871 505592470 /nfs/dbraw/zinc/59/24/70/505592470.db2.gz PEQUILKREUUNQL-MJGOQNOKSA-N 1 3 372.538 3.089 20 0 FGADHO CCCCNC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567995589 505592827 /nfs/dbraw/zinc/59/28/27/505592827.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 1 3 351.560 3.117 20 0 FGADHO CCCCNC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567995589 505592830 /nfs/dbraw/zinc/59/28/30/505592830.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 1 3 351.560 3.117 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000568009122 505595546 /nfs/dbraw/zinc/59/55/46/505595546.db2.gz WCISHFPMFLLOTA-JOCHJYFZSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576882960 505616250 /nfs/dbraw/zinc/61/62/50/505616250.db2.gz OSQUGVOWUYMOMD-GHTZIAJQSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H](NCCNC(=O)CC1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882960 505616253 /nfs/dbraw/zinc/61/62/53/505616253.db2.gz OSQUGVOWUYMOMD-GHTZIAJQSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H](NCCNC(=O)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882960 505616257 /nfs/dbraw/zinc/61/62/57/505616257.db2.gz OSQUGVOWUYMOMD-GHTZIAJQSA-N 1 3 357.542 3.183 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(C)cc(C)cc3C)CC2)CC1 ZINC000568186785 505638225 /nfs/dbraw/zinc/63/82/25/505638225.db2.gz LMSVJUBKJOBWOJ-UHFFFAOYSA-N 1 3 371.569 3.424 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3C)CC2)CC1 ZINC000568199678 505641965 /nfs/dbraw/zinc/64/19/65/505641965.db2.gz FLOWAPBGVYRLMA-JTSKRJEESA-N 1 3 369.553 3.232 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000571196828 505677101 /nfs/dbraw/zinc/67/71/01/505677101.db2.gz WTVZNCUOJXLVEF-SFHVURJKSA-N 1 3 353.514 3.465 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)C1 ZINC000571196828 505677106 /nfs/dbraw/zinc/67/71/06/505677106.db2.gz WTVZNCUOJXLVEF-SFHVURJKSA-N 1 3 353.514 3.465 20 0 FGADHO O[C@@H](CNCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000568384457 505681918 /nfs/dbraw/zinc/68/19/18/505681918.db2.gz HKUOPGFTEUWFIY-SFHVURJKSA-N 1 3 358.448 3.234 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330880 493866849 /nfs/dbraw/zinc/86/68/49/493866849.db2.gz JGIIUSLXFKQWOH-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330880 493866854 /nfs/dbraw/zinc/86/68/54/493866854.db2.gz JGIIUSLXFKQWOH-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000068887158 493889332 /nfs/dbraw/zinc/88/93/32/493889332.db2.gz LPSSWWKOFRGIMM-ROUUACIJSA-N 1 3 364.578 3.061 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000069160319 493929330 /nfs/dbraw/zinc/92/93/30/493929330.db2.gz RXASDDXGNHGZRL-FQEVSTJZSA-N 1 3 369.509 3.491 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069295894 493951772 /nfs/dbraw/zinc/95/17/72/493951772.db2.gz METSPRBWRLLYNA-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000069295894 493951774 /nfs/dbraw/zinc/95/17/74/493951774.db2.gz METSPRBWRLLYNA-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO CC(C)Oc1cccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000076893857 493985039 /nfs/dbraw/zinc/98/50/39/493985039.db2.gz FBSZCCQNEVXYSS-UHFFFAOYSA-N 1 3 369.509 3.055 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000069679076 493995993 /nfs/dbraw/zinc/99/59/93/493995993.db2.gz UTKKNVWQLJXDCN-FQEVSTJZSA-N 1 3 353.510 3.243 20 0 FGADHO C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000085358861 494116516 /nfs/dbraw/zinc/11/65/16/494116516.db2.gz DPZUQMRDMQURSB-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386984 494118680 /nfs/dbraw/zinc/11/86/80/494118680.db2.gz FPBOYYHLSPHNNI-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000065522525 494209333 /nfs/dbraw/zinc/20/93/33/494209333.db2.gz SZFWDQPLZDDHOY-RXVVDRJESA-N 1 3 372.557 3.434 20 0 FGADHO CC[NH2+]CCCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000568489145 505707806 /nfs/dbraw/zinc/70/78/06/505707806.db2.gz DBEBBVXLJJSKAL-UHFFFAOYSA-N 1 3 368.525 3.214 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268484 /nfs/dbraw/zinc/26/84/84/494268484.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268486 /nfs/dbraw/zinc/26/84/86/494268486.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387992 505718493 /nfs/dbraw/zinc/71/84/93/505718493.db2.gz ZJMSRQUSKPZUSR-CTNGQTDRSA-N 1 3 369.484 3.067 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387992 505718494 /nfs/dbraw/zinc/71/84/94/505718494.db2.gz ZJMSRQUSKPZUSR-CTNGQTDRSA-N 1 3 369.484 3.067 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCN(C2CCCC2)CC1 ZINC000079197968 494417925 /nfs/dbraw/zinc/41/79/25/494417925.db2.gz LKUVNXWHYFENRW-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960829 494445741 /nfs/dbraw/zinc/44/57/41/494445741.db2.gz ZZMHPFXPXXJWCY-LJQANCHMSA-N 1 3 359.558 3.477 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960829 494445745 /nfs/dbraw/zinc/44/57/45/494445745.db2.gz ZZMHPFXPXXJWCY-LJQANCHMSA-N 1 3 359.558 3.477 20 0 FGADHO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(OCCN(C)C)c1 ZINC000090409436 494463690 /nfs/dbraw/zinc/46/36/90/494463690.db2.gz QJVKFBHGHCCGNZ-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@@H](NCCOc1ccc(Cl)cn1)c1cccc(OCC[NH+](C)C)c1 ZINC000090409436 494463691 /nfs/dbraw/zinc/46/36/91/494463691.db2.gz QJVKFBHGHCCGNZ-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO C[NH+](C)CCOc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937392 494505057 /nfs/dbraw/zinc/50/50/57/494505057.db2.gz ZEPLAYKXGWBZIK-PZJWPPBQSA-N 1 3 369.509 3.280 20 0 FGADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056523321 494519719 /nfs/dbraw/zinc/51/97/19/494519719.db2.gz JTUBRJOVBOVZHC-MSOLQXFVSA-N 1 3 359.558 3.478 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055565 494577728 /nfs/dbraw/zinc/57/77/28/494577728.db2.gz SHLIEIQVHQUJBG-TZIWHRDSSA-N 1 3 374.573 3.458 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285079 494578331 /nfs/dbraw/zinc/57/83/31/494578331.db2.gz YCBCBOLEHVGIBS-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000074792993 494602305 /nfs/dbraw/zinc/60/23/05/494602305.db2.gz UXKAZNFISNFRJA-SEJPIABJSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000074792993 494602312 /nfs/dbraw/zinc/60/23/12/494602312.db2.gz UXKAZNFISNFRJA-SEJPIABJSA-N 1 3 372.557 3.084 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120470 494605421 /nfs/dbraw/zinc/60/54/21/494605421.db2.gz UFMJCKLRKRSZAM-APWZRJJASA-N 1 3 365.949 3.417 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153721 494616351 /nfs/dbraw/zinc/61/63/51/494616351.db2.gz OHNGXOFVUJLHTD-NQIIRXRSSA-N 1 3 372.557 3.213 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(F)F ZINC000574258782 505733259 /nfs/dbraw/zinc/73/32/59/505733259.db2.gz NSQATZRXBWDBBU-MAUKXSAKSA-N 1 3 370.440 3.015 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092741134 494733476 /nfs/dbraw/zinc/73/34/76/494733476.db2.gz QQRQLSVLICMSAY-SFHVURJKSA-N 1 3 356.489 3.474 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)cc(Br)c1 ZINC000126419442 494744849 /nfs/dbraw/zinc/74/48/49/494744849.db2.gz VOQSVEBNFPPOIO-UHFFFAOYSA-N 1 3 372.326 3.046 20 0 FGADHO CCCCCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821341 494763285 /nfs/dbraw/zinc/76/32/85/494763285.db2.gz ZBGREGSGYIGCDO-GOSISDBHSA-N 1 3 360.546 3.315 20 0 FGADHO C[C@H]1C[C@H](C)CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821320 494763730 /nfs/dbraw/zinc/76/37/30/494763730.db2.gz MHVPGSGRJRPMAO-OALUTQOASA-N 1 3 372.557 3.124 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043328 494766070 /nfs/dbraw/zinc/76/60/70/494766070.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 1 3 370.585 3.135 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043328 494766077 /nfs/dbraw/zinc/76/60/77/494766077.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 1 3 370.585 3.135 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552153 494787324 /nfs/dbraw/zinc/78/73/24/494787324.db2.gz FIWILAIFQWWTLH-PGRDOPGGSA-N 1 3 371.569 3.395 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000116529778 494808622 /nfs/dbraw/zinc/80/86/22/494808622.db2.gz UZAOJUMYKSARKB-RBUKOAKNSA-N 1 3 372.557 3.386 20 0 FGADHO CCCn1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000116912985 494869910 /nfs/dbraw/zinc/86/99/10/494869910.db2.gz JSGLEGOMFDTYNG-UHFFFAOYSA-N 1 3 369.557 3.294 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](NCCSCCOc2cccc(Br)c2)C1 ZINC000568664382 505747956 /nfs/dbraw/zinc/74/79/56/505747956.db2.gz RIWIDUYICAMYSJ-HUUCEWRRSA-N 1 3 373.360 3.421 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786185 494917980 /nfs/dbraw/zinc/91/79/80/494917980.db2.gz YHGNZMYMQMEOIV-QGZVFWFLSA-N 1 3 374.447 3.251 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786185 494917984 /nfs/dbraw/zinc/91/79/84/494917984.db2.gz YHGNZMYMQMEOIV-QGZVFWFLSA-N 1 3 374.447 3.251 20 0 FGADHO CCN1CCC(NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000110073557 494946239 /nfs/dbraw/zinc/94/62/39/494946239.db2.gz RJCAVABTUNCHSQ-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000122704906 495019181 /nfs/dbraw/zinc/01/91/81/495019181.db2.gz VITAXXJTAYUQAW-UXPWSPDFSA-N 1 3 365.949 3.033 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000098172538 495062743 /nfs/dbraw/zinc/06/27/43/495062743.db2.gz JXOBQKAHBQSYFS-UHFFFAOYSA-N 1 3 353.510 3.386 20 0 FGADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133934300 495082914 /nfs/dbraw/zinc/08/29/14/495082914.db2.gz OZOFJFGNNHEYPR-GOSISDBHSA-N 1 3 369.557 3.148 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128458943 495100315 /nfs/dbraw/zinc/10/03/15/495100315.db2.gz JORNNXKTCBZEIC-INIZCTEOSA-N 1 3 373.570 3.192 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604943 505763055 /nfs/dbraw/zinc/76/30/55/505763055.db2.gz KQWRUEBZQGVZKS-UXHICEINSA-N 1 3 354.498 3.013 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341823 495145762 /nfs/dbraw/zinc/14/57/62/495145762.db2.gz QSIMKBUJHIOTBS-PXNSSMCTSA-N 1 3 372.557 3.069 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836686 495156790 /nfs/dbraw/zinc/15/67/90/495156790.db2.gz WUDBQVMMYLFVRZ-LJQANCHMSA-N 1 3 373.541 3.352 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836686 495156793 /nfs/dbraw/zinc/15/67/93/495156793.db2.gz WUDBQVMMYLFVRZ-LJQANCHMSA-N 1 3 373.541 3.352 20 0 FGADHO CCCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000119656905 495211641 /nfs/dbraw/zinc/21/16/41/495211641.db2.gz TZJAJZAFGUJILP-HXUWFJFHSA-N 1 3 364.578 3.203 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccsc1 ZINC000103304855 495217142 /nfs/dbraw/zinc/21/71/42/495217142.db2.gz NPEMWVGYMOWSQF-SFHVURJKSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000120133823 495314068 /nfs/dbraw/zinc/31/40/68/495314068.db2.gz SXVJSPNMBWWUQL-XXBNENTESA-N 1 3 365.521 3.276 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C3CCCC3)CC2)CC1 ZINC000120158597 495317805 /nfs/dbraw/zinc/31/78/05/495317805.db2.gz VZYXYSLMDKBBQM-UHFFFAOYSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000113625709 495322944 /nfs/dbraw/zinc/32/29/44/495322944.db2.gz DNCMLHCSBZQQKD-QGZVFWFLSA-N 1 3 360.546 3.288 20 0 FGADHO CC(C)C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120215001 495328960 /nfs/dbraw/zinc/32/89/60/495328960.db2.gz LDXWTTIVKJFQLG-OAQYLSRUSA-N 1 3 351.579 3.120 20 0 FGADHO CC(C)C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000120215001 495328964 /nfs/dbraw/zinc/32/89/64/495328964.db2.gz LDXWTTIVKJFQLG-OAQYLSRUSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000105112965 495337675 /nfs/dbraw/zinc/33/76/75/495337675.db2.gz TZELNWWDHFQUAI-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000105112965 495337678 /nfs/dbraw/zinc/33/76/78/495337678.db2.gz TZELNWWDHFQUAI-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000130323159 495373010 /nfs/dbraw/zinc/37/30/10/495373010.db2.gz ZAOOYBFBWIMFTH-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000130323159 495373014 /nfs/dbraw/zinc/37/30/14/495373014.db2.gz ZAOOYBFBWIMFTH-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000130323159 495373016 /nfs/dbraw/zinc/37/30/16/495373016.db2.gz ZAOOYBFBWIMFTH-CWBXHPNXSA-N 1 3 350.506 3.090 20 0 FGADHO Cc1nccn1CCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000125086955 495388412 /nfs/dbraw/zinc/38/84/12/495388412.db2.gz VEQDQYVEGKQTLW-OALUTQOASA-N 1 3 362.562 3.183 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000120571821 495408155 /nfs/dbraw/zinc/40/81/55/495408155.db2.gz AVMVGPUNFZFDMW-JKSUJKDBSA-N 1 3 358.530 3.259 20 0 FGADHO CSC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000568810544 505781787 /nfs/dbraw/zinc/78/17/87/505781787.db2.gz SNTXNYCHLNGOPS-UHFFFAOYSA-N 1 3 361.599 3.460 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130802118 495447693 /nfs/dbraw/zinc/44/76/93/495447693.db2.gz MULYHXXFXRIZJW-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798315 495459639 /nfs/dbraw/zinc/45/96/39/495459639.db2.gz GFGYVOHUDXHGOV-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798315 495459640 /nfs/dbraw/zinc/45/96/40/495459640.db2.gz GFGYVOHUDXHGOV-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798315 495459646 /nfs/dbraw/zinc/45/96/46/495459646.db2.gz GFGYVOHUDXHGOV-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000130985700 495475428 /nfs/dbraw/zinc/47/54/28/495475428.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000130985700 495475433 /nfs/dbraw/zinc/47/54/33/495475433.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000130985700 495475438 /nfs/dbraw/zinc/47/54/38/495475438.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 1 3 358.574 3.407 20 0 FGADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000130985700 495475442 /nfs/dbraw/zinc/47/54/42/495475442.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 1 3 358.574 3.407 20 0 FGADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471829 495605197 /nfs/dbraw/zinc/60/51/97/495605197.db2.gz QEMDMRRLAQIRSC-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO COc1cc(OC)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1Cl ZINC000154424422 495612783 /nfs/dbraw/zinc/61/27/83/495612783.db2.gz QVTYVQBQRVQCBO-OAHLLOKOSA-N 1 3 369.937 3.035 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423617 495612833 /nfs/dbraw/zinc/61/28/33/495612833.db2.gz OGQKVAWKBKUKCR-SFHVURJKSA-N 1 3 355.473 3.356 20 0 FGADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769828 495628973 /nfs/dbraw/zinc/62/89/73/495628973.db2.gz RRHSYSAYOPYLRA-LEWJYISDSA-N 1 3 355.526 3.128 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654461 495678678 /nfs/dbraw/zinc/67/86/78/495678678.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 1 3 368.525 3.398 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654461 495678684 /nfs/dbraw/zinc/67/86/84/495678684.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 1 3 368.525 3.398 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(Br)c1 ZINC000150952562 495692423 /nfs/dbraw/zinc/69/24/23/495692423.db2.gz VUTWUEKBLJOABB-CYBMUJFWSA-N 1 3 372.326 3.265 20 0 FGADHO CN(c1ccccc1C[NH2+]CCCNc1ccccn1)C1CCN(C)CC1 ZINC000151095201 495736168 /nfs/dbraw/zinc/73/61/68/495736168.db2.gz KRNLWCFEPOTDJN-UHFFFAOYSA-N 1 3 367.541 3.204 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630962 505801931 /nfs/dbraw/zinc/80/19/31/505801931.db2.gz QKBJZEMCRZVTHD-LPHOPBHVSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630962 505801933 /nfs/dbraw/zinc/80/19/33/505801933.db2.gz QKBJZEMCRZVTHD-LPHOPBHVSA-N 1 3 364.493 3.322 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883463 495761299 /nfs/dbraw/zinc/76/12/99/495761299.db2.gz GBGCRBHVIVPVBJ-KRWDZBQOSA-N 1 3 364.497 3.353 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883463 495761307 /nfs/dbraw/zinc/76/13/07/495761307.db2.gz GBGCRBHVIVPVBJ-KRWDZBQOSA-N 1 3 364.497 3.353 20 0 FGADHO C[C@@H](NCc1cccnc1-n1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151497066 495858158 /nfs/dbraw/zinc/85/81/58/495858158.db2.gz LFSREMIOXVLWPZ-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183155770 495859177 /nfs/dbraw/zinc/85/91/77/495859177.db2.gz UNJUPVGWFATFQQ-PCCBWWKXSA-N 1 3 357.542 3.039 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180108873 495861346 /nfs/dbraw/zinc/86/13/46/495861346.db2.gz FCYQRVZQIWGTDY-HSZRJFAPSA-N 1 3 367.537 3.402 20 0 FGADHO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000151569331 495882444 /nfs/dbraw/zinc/88/24/44/495882444.db2.gz QHLZZCFMZBJXRV-MRXNPFEDSA-N 1 3 358.482 3.495 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186178096 495886188 /nfs/dbraw/zinc/88/61/88/495886188.db2.gz CAGYRWQTWSEIHQ-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO CC(C)C[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000155290638 495906234 /nfs/dbraw/zinc/90/62/34/495906234.db2.gz KFPWNTJOTLEHNP-SFHVURJKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N1CCCCCC1 ZINC000180421034 495990180 /nfs/dbraw/zinc/99/01/80/495990180.db2.gz QSPRTAOFCMYQIU-GOSISDBHSA-N 1 3 372.557 3.420 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000155593784 496006495 /nfs/dbraw/zinc/00/64/95/496006495.db2.gz KDNOHESRHFOWSU-CRAIPNDOSA-N 1 3 353.938 3.415 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629973 505819406 /nfs/dbraw/zinc/81/94/06/505819406.db2.gz JYVQUOLCQYVZGC-YLJYHZDGSA-N 1 3 364.578 3.394 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000155876698 496094746 /nfs/dbraw/zinc/09/47/46/496094746.db2.gz MCQVBHHRMDTGEE-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000155876698 496094751 /nfs/dbraw/zinc/09/47/51/496094751.db2.gz MCQVBHHRMDTGEE-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000155985002 496124987 /nfs/dbraw/zinc/12/49/87/496124987.db2.gz XEOFXNLOWHFYKB-WIYYLYMNSA-N 1 3 357.542 3.278 20 0 FGADHO CN(CCOc1ccc(C(F)(F)F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000180927513 496203858 /nfs/dbraw/zinc/20/38/58/496203858.db2.gz QGGKPWXVUVXEBP-UHFFFAOYSA-N 1 3 373.463 3.042 20 0 FGADHO CN(C(=O)NCCC[NH+]1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000172240594 496222731 /nfs/dbraw/zinc/22/27/31/496222731.db2.gz UIMQXJSZPTWWGP-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CC2)C1 ZINC000186951922 496226341 /nfs/dbraw/zinc/22/63/41/496226341.db2.gz QVFKVUYJGQKZBI-GOSISDBHSA-N 1 3 355.526 3.032 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000152756554 496247783 /nfs/dbraw/zinc/24/77/83/496247783.db2.gz INKQQJSJXVOLSY-DCCYDQLOSA-N 1 3 364.578 3.011 20 0 FGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035752 496298135 /nfs/dbraw/zinc/29/81/35/496298135.db2.gz WUJUXJUFSNITIL-SCTDSRPQSA-N 1 3 362.514 3.388 20 0 FGADHO CCCc1cccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000187193847 496333375 /nfs/dbraw/zinc/33/33/75/496333375.db2.gz KHFAHZZDMAYSBQ-UHFFFAOYSA-N 1 3 353.510 3.220 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178143845 496346085 /nfs/dbraw/zinc/34/60/85/496346085.db2.gz IZSPSQQPTOLYMO-KRWDZBQOSA-N 1 3 359.514 3.220 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000178143845 496346088 /nfs/dbraw/zinc/34/60/88/496346088.db2.gz IZSPSQQPTOLYMO-KRWDZBQOSA-N 1 3 359.514 3.220 20 0 FGADHO C[C@@H](Cn1cc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159050 496350755 /nfs/dbraw/zinc/35/07/55/496350755.db2.gz PCRMBRLGLDYKST-AWEZNQCLSA-N 1 3 369.351 3.278 20 0 FGADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159050 496350762 /nfs/dbraw/zinc/35/07/62/496350762.db2.gz PCRMBRLGLDYKST-AWEZNQCLSA-N 1 3 369.351 3.278 20 0 FGADHO C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181348983 496363207 /nfs/dbraw/zinc/36/32/07/496363207.db2.gz XVGIDGCSTIRONA-WAOWUJCRSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181348983 496363211 /nfs/dbraw/zinc/36/32/11/496363211.db2.gz XVGIDGCSTIRONA-WAOWUJCRSA-N 1 3 351.494 3.116 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187479028 496458027 /nfs/dbraw/zinc/45/80/27/496458027.db2.gz SKEMTKJDIKWQNS-NRSPTQNISA-N 1 3 374.573 3.267 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187479028 496458030 /nfs/dbraw/zinc/45/80/30/496458030.db2.gz SKEMTKJDIKWQNS-NRSPTQNISA-N 1 3 374.573 3.267 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCCC[NH+]2CCCC2)CC1 ZINC000181636574 496480146 /nfs/dbraw/zinc/48/01/46/496480146.db2.gz FKOGOLBOMUVDGL-SFHVURJKSA-N 1 3 362.537 3.104 20 0 FGADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056069 496535774 /nfs/dbraw/zinc/53/57/74/496535774.db2.gz RARLHVRUCOGHCB-WMZOPIPTSA-N 1 3 363.521 3.130 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](N)c1ccccc1 ZINC000178731433 496554402 /nfs/dbraw/zinc/55/44/02/496554402.db2.gz BRVHRRXXUOVGTL-GCJKJVERSA-N 1 3 365.521 3.351 20 0 FGADHO NC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000178746042 496559450 /nfs/dbraw/zinc/55/94/50/496559450.db2.gz AXHVFABCBNGHCQ-QFIPXVFZSA-N 1 3 365.521 3.421 20 0 FGADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000163889711 496566776 /nfs/dbraw/zinc/56/67/76/496566776.db2.gz FZUFILKETBSLOY-OALUTQOASA-N 1 3 357.542 3.315 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)cc1Br ZINC000181874851 496581447 /nfs/dbraw/zinc/58/14/47/496581447.db2.gz MLGUMPAIIPTBFF-DZGCQCFKSA-N 1 3 373.335 3.465 20 0 FGADHO COC[C@H]([NH2+]Cc1cccc(CN2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965480 496634616 /nfs/dbraw/zinc/63/46/16/496634616.db2.gz OURMVZUYGIHXMV-QFIPXVFZSA-N 1 3 360.542 3.450 20 0 FGADHO COC[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CCOCC1 ZINC000187965480 496634620 /nfs/dbraw/zinc/63/46/20/496634620.db2.gz OURMVZUYGIHXMV-QFIPXVFZSA-N 1 3 360.542 3.450 20 0 FGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000176022090 496647152 /nfs/dbraw/zinc/64/71/52/496647152.db2.gz XSUHXKHFIWKORH-FQEVSTJZSA-N 1 3 362.562 3.053 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000173359944 496658143 /nfs/dbraw/zinc/65/81/43/496658143.db2.gz MWELCNNOCPCGFV-BBWFWOEESA-N 1 3 350.503 3.244 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109771 496679065 /nfs/dbraw/zinc/67/90/65/496679065.db2.gz BKGRNUSCUYUXCY-MRXNPFEDSA-N 1 3 358.917 3.333 20 0 FGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767287 /nfs/dbraw/zinc/76/72/87/496767287.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 1 3 358.574 3.250 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769716 496779557 /nfs/dbraw/zinc/77/95/57/496779557.db2.gz DNKZCIRMQAZSBA-YFVAEKQCSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769716 496779563 /nfs/dbraw/zinc/77/95/63/496779563.db2.gz DNKZCIRMQAZSBA-YFVAEKQCSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCS2 ZINC000191516270 496794073 /nfs/dbraw/zinc/79/40/73/496794073.db2.gz CFLKRSRXBGLMPT-DNVCBOLYSA-N 1 3 362.539 3.323 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247190321 496801866 /nfs/dbraw/zinc/80/18/66/496801866.db2.gz ZYTMLKUIRWAZQU-JENIJYKNSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247190321 496801872 /nfs/dbraw/zinc/80/18/72/496801872.db2.gz ZYTMLKUIRWAZQU-JENIJYKNSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000247190321 496801876 /nfs/dbraw/zinc/80/18/76/496801876.db2.gz ZYTMLKUIRWAZQU-JENIJYKNSA-N 1 3 362.537 3.101 20 0 FGADHO CN(c1ccccc1CN1CCC[C@@H]([NH+](C)C)CC1)C1CCN(C)CC1 ZINC000277551871 496809023 /nfs/dbraw/zinc/80/90/23/496809023.db2.gz RBAWAYINHIOOMD-HXUWFJFHSA-N 1 3 358.574 3.133 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000191574884 496818635 /nfs/dbraw/zinc/81/86/35/496818635.db2.gz RPRFUHHTOGGPCY-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)c1 ZINC000268916312 496822804 /nfs/dbraw/zinc/82/28/04/496822804.db2.gz VKPRISPXVXGSAM-QGZVFWFLSA-N 1 3 369.509 3.479 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCCN(C)C)cc1 ZINC000273615838 496854210 /nfs/dbraw/zinc/85/42/10/496854210.db2.gz XJSUAHXKVNSTLW-RBUKOAKNSA-N 1 3 352.544 3.011 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075186 496865252 /nfs/dbraw/zinc/86/52/52/496865252.db2.gz NJUIHNNAFJVYGT-HIFRSBDPSA-N 1 3 360.445 3.304 20 0 FGADHO OC[C@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000569193044 505873253 /nfs/dbraw/zinc/87/32/53/505873253.db2.gz YNOKHMKHEDSCFO-HNNXBMFYSA-N 1 3 370.459 3.252 20 0 FGADHO OC[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000569193044 505873255 /nfs/dbraw/zinc/87/32/55/505873255.db2.gz YNOKHMKHEDSCFO-HNNXBMFYSA-N 1 3 370.459 3.252 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043581 496948206 /nfs/dbraw/zinc/94/82/06/496948206.db2.gz UJSBPJQXZPIVSN-LMNJBCLMSA-N 1 3 360.542 3.140 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043581 496948210 /nfs/dbraw/zinc/94/82/10/496948210.db2.gz UJSBPJQXZPIVSN-LMNJBCLMSA-N 1 3 360.542 3.140 20 0 FGADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952694 505876131 /nfs/dbraw/zinc/87/61/31/505876131.db2.gz PVWCABREJQVZCE-OAQYLSRUSA-N 1 3 366.505 3.453 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000195746438 496964100 /nfs/dbraw/zinc/96/41/00/496964100.db2.gz AQEIPXCERJYYFD-TZIWHRDSSA-N 1 3 372.557 3.306 20 0 FGADHO c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410869 497001443 /nfs/dbraw/zinc/00/14/43/497001443.db2.gz YPCYKCWHVFPUCA-UTYWTXRGSA-N 1 3 350.510 3.157 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165871 497020610 /nfs/dbraw/zinc/02/06/10/497020610.db2.gz ANWFBFUVYAJZGD-UHFFFAOYSA-N 1 3 374.754 3.220 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189187257 497037093 /nfs/dbraw/zinc/03/70/93/497037093.db2.gz AQLFYDZZSCRRTB-ICSRJNTNSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189187257 497037098 /nfs/dbraw/zinc/03/70/98/497037098.db2.gz AQLFYDZZSCRRTB-ICSRJNTNSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000189187257 497037107 /nfs/dbraw/zinc/03/71/07/497037107.db2.gz AQLFYDZZSCRRTB-ICSRJNTNSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000248562913 497041336 /nfs/dbraw/zinc/04/13/36/497041336.db2.gz JZLOWUMBJZQOAY-VIZSFHNOSA-N 1 3 374.569 3.191 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000248722702 497088207 /nfs/dbraw/zinc/08/82/07/497088207.db2.gz MJQPIFTUYSZUNZ-ZOJFBHTKSA-N 1 3 352.522 3.444 20 0 FGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000227374077 497089737 /nfs/dbraw/zinc/08/97/37/497089737.db2.gz SYNVGQQPYSYJIE-AZUAARDMSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000227374077 497089741 /nfs/dbraw/zinc/08/97/41/497089741.db2.gz SYNVGQQPYSYJIE-AZUAARDMSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000248742803 497095444 /nfs/dbraw/zinc/09/54/44/497095444.db2.gz AJXAMZGAAVDHIK-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000248742803 497095446 /nfs/dbraw/zinc/09/54/46/497095446.db2.gz AJXAMZGAAVDHIK-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@H]1CN(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248742803 497095448 /nfs/dbraw/zinc/09/54/48/497095448.db2.gz AJXAMZGAAVDHIK-BJVIOOSJSA-N 1 3 357.542 3.011 20 0 FGADHO COc1sc(CNCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000278522422 497141940 /nfs/dbraw/zinc/14/19/40/497141940.db2.gz SHRORZORWRYWMQ-UHFFFAOYSA-N 1 3 359.333 3.483 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192582434 497156958 /nfs/dbraw/zinc/15/69/58/497156958.db2.gz KSKLUITWIFSOGF-PGRDOPGGSA-N 1 3 369.553 3.372 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000236917736 497168350 /nfs/dbraw/zinc/16/83/50/497168350.db2.gz AGPCRSQFBNTKQG-LAUBAEHRSA-N 1 3 353.510 3.481 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705881 497189945 /nfs/dbraw/zinc/18/99/45/497189945.db2.gz SHWDABFBXAVPPO-QHCPKHFHSA-N 1 3 364.537 3.471 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393341 497197596 /nfs/dbraw/zinc/19/75/96/497197596.db2.gz SCLRCRBVANOLMM-KZNAEPCWSA-N 1 3 356.432 3.464 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000578206129 505887160 /nfs/dbraw/zinc/88/71/60/505887160.db2.gz IEBGXURRFDRYBE-FQEVSTJZSA-N 1 3 371.569 3.381 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000578206129 505887163 /nfs/dbraw/zinc/88/71/63/505887163.db2.gz IEBGXURRFDRYBE-FQEVSTJZSA-N 1 3 371.569 3.381 20 0 FGADHO COc1cccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237313030 497217854 /nfs/dbraw/zinc/21/78/54/497217854.db2.gz BANIWTOSCXOPLI-SFTDATJTSA-N 1 3 367.493 3.038 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237460342 497239886 /nfs/dbraw/zinc/23/98/86/497239886.db2.gz RLGVHIYXIWBGPU-IOMROCGXSA-N 1 3 351.494 3.103 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)(N2CCCCC2)CC1 ZINC000192906812 497243035 /nfs/dbraw/zinc/24/30/35/497243035.db2.gz MDVXHJFUKUXJTH-OAQYLSRUSA-N 1 3 356.558 3.473 20 0 FGADHO C[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237602882 497262448 /nfs/dbraw/zinc/26/24/48/497262448.db2.gz UNQGDWOERATGLM-DYESRHJHSA-N 1 3 365.521 3.276 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000237649975 497268783 /nfs/dbraw/zinc/26/87/83/497268783.db2.gz UWVZAEZGDKLESQ-WWNBULGVSA-N 1 3 363.571 3.273 20 0 FGADHO Cc1nn(C)c2ncc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000237891061 497308357 /nfs/dbraw/zinc/30/83/57/497308357.db2.gz KKQXGUKRNJVLGF-INIZCTEOSA-N 1 3 369.538 3.340 20 0 FGADHO Cc1nn(C)c2ncc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000237891061 497308360 /nfs/dbraw/zinc/30/83/60/497308360.db2.gz KKQXGUKRNJVLGF-INIZCTEOSA-N 1 3 369.538 3.340 20 0 FGADHO c1cn(-c2ccccc2)nc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000572147882 505901055 /nfs/dbraw/zinc/90/10/55/505901055.db2.gz YAPJDRIXCBMUMF-JTHBVZDNSA-N 1 3 374.488 3.260 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237940628 497317107 /nfs/dbraw/zinc/31/71/07/497317107.db2.gz AGANJRYKJXTELD-RTWAWAEBSA-N 1 3 351.494 3.247 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000275438230 497326047 /nfs/dbraw/zinc/32/60/47/497326047.db2.gz FPAGSRDRNCUVNE-UHFFFAOYSA-N 1 3 371.569 3.479 20 0 FGADHO COCc1cc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000271430004 497347086 /nfs/dbraw/zinc/34/70/86/497347086.db2.gz DCMHXFCUWUQCJE-INIZCTEOSA-N 1 3 373.497 3.028 20 0 FGADHO COc1cc2c(cc1C[NH2+]CC1CCN(c3ccncc3)CC1)O[C@H](C)C2 ZINC000569308082 505902934 /nfs/dbraw/zinc/90/29/34/505902934.db2.gz IDZBVXKKWOULHW-MRXNPFEDSA-N 1 3 367.493 3.420 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558915 497383610 /nfs/dbraw/zinc/38/36/10/497383610.db2.gz WLVTWIVGHCHECA-FGTMMUONSA-N 1 3 350.503 3.330 20 0 FGADHO CCN(Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1)C1CC1 ZINC000261815883 497456828 /nfs/dbraw/zinc/45/68/28/497456828.db2.gz XHVDGWXDWIJCFO-UHFFFAOYSA-N 1 3 365.521 3.315 20 0 FGADHO FC(F)(F)c1ccc(CN2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003773 497491668 /nfs/dbraw/zinc/49/16/68/497491668.db2.gz UJZWAEHOTHYWMP-KRWDZBQOSA-N 1 3 355.448 3.213 20 0 FGADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117915 497510741 /nfs/dbraw/zinc/51/07/41/497510741.db2.gz BRWAOLHPEJPGAE-ATZDWAIDSA-N 1 3 363.933 3.371 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369453 497534925 /nfs/dbraw/zinc/53/49/25/497534925.db2.gz SKROTCBEDOPHLR-GHTZIAJQSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262308791 497537822 /nfs/dbraw/zinc/53/78/22/497537822.db2.gz OTIDIALVPMHKIC-SNBYJETDSA-N 1 3 357.542 3.386 20 0 FGADHO CC(C)(CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1CCc2ccccc2C1 ZINC000262353345 497543913 /nfs/dbraw/zinc/54/39/13/497543913.db2.gz USIOFGGMMWGVSD-FWGXRIOKSA-N 1 3 369.553 3.093 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569352846 505915427 /nfs/dbraw/zinc/91/54/27/505915427.db2.gz GCKPUMNITRQSFW-HXUWFJFHSA-N 1 3 351.494 3.251 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569352846 505915431 /nfs/dbraw/zinc/91/54/31/505915431.db2.gz GCKPUMNITRQSFW-HXUWFJFHSA-N 1 3 351.494 3.251 20 0 FGADHO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000272309986 497593564 /nfs/dbraw/zinc/59/35/64/497593564.db2.gz OUABZDUXBKNRPA-PMACEKPBSA-N 1 3 374.525 3.109 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000194252898 497615341 /nfs/dbraw/zinc/61/53/41/497615341.db2.gz OIQKRYLBGAVRQM-UHFFFAOYSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1noc(C2CCC([NH2+]Cc3ccc(OCCN(C)C)cc3)CC2)n1 ZINC000267837836 497626896 /nfs/dbraw/zinc/62/68/96/497626896.db2.gz ZOMOPMNZKAKQHJ-UHFFFAOYSA-N 1 3 358.486 3.134 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152865 497640202 /nfs/dbraw/zinc/64/02/02/497640202.db2.gz DBOAHMRDMABLDC-KBAYOESNSA-N 1 3 366.575 3.113 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152865 497640204 /nfs/dbraw/zinc/64/02/04/497640204.db2.gz DBOAHMRDMABLDC-KBAYOESNSA-N 1 3 366.575 3.113 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272550644 497659264 /nfs/dbraw/zinc/65/92/64/497659264.db2.gz FENQLWKXDRZVPL-UNMCSNQZSA-N 1 3 371.569 3.132 20 0 FGADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263171306 497723327 /nfs/dbraw/zinc/72/33/27/497723327.db2.gz FTIDADGTEBVCOE-QHCPKHFHSA-N 1 3 369.553 3.281 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000272854463 497745759 /nfs/dbraw/zinc/74/57/59/497745759.db2.gz IGQDMQSILKNYBH-DYESRHJHSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000272854463 497745764 /nfs/dbraw/zinc/74/57/64/497745764.db2.gz IGQDMQSILKNYBH-DYESRHJHSA-N 1 3 354.494 3.421 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000263275596 497747199 /nfs/dbraw/zinc/74/71/99/497747199.db2.gz QNAAXYXKQSNNMR-SQNIBIBYSA-N 1 3 363.571 3.102 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246489051 497750915 /nfs/dbraw/zinc/75/09/15/497750915.db2.gz WCEYNTHKPFERNX-KURKYZTESA-N 1 3 352.567 3.011 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246489051 497750917 /nfs/dbraw/zinc/75/09/17/497750917.db2.gz WCEYNTHKPFERNX-KURKYZTESA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000572263222 505928923 /nfs/dbraw/zinc/92/89/23/505928923.db2.gz PRNLOMNKEAJFRX-UXHICEINSA-N 1 3 358.530 3.080 20 0 FGADHO C[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866459 497835827 /nfs/dbraw/zinc/83/58/27/497835827.db2.gz XDTAJGRUYJBORB-UAOJZALGSA-N 1 3 352.469 3.426 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000280825024 497912336 /nfs/dbraw/zinc/91/23/36/497912336.db2.gz JBJHJPBQYHYWEP-UHFFFAOYSA-N 1 3 356.514 3.474 20 0 FGADHO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000578479530 505949054 /nfs/dbraw/zinc/94/90/54/505949054.db2.gz OBVRGCCUXWEZAD-ILWGZMRPSA-N 1 3 352.526 3.243 20 0 FGADHO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000578479528 505949142 /nfs/dbraw/zinc/94/91/42/505949142.db2.gz OBVRGCCUXWEZAD-BAGYTPMASA-N 1 3 352.526 3.243 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000572374943 505953733 /nfs/dbraw/zinc/95/37/33/505953733.db2.gz FOEZVRSVSNSROD-UHFFFAOYSA-N 1 3 351.441 3.100 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000572410419 505962315 /nfs/dbraw/zinc/96/23/15/505962315.db2.gz ZQWHQUFBVQHBQO-IBGZPJMESA-N 1 3 369.534 3.052 20 0 FGADHO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000572410419 505962317 /nfs/dbraw/zinc/96/23/17/505962317.db2.gz ZQWHQUFBVQHBQO-IBGZPJMESA-N 1 3 369.534 3.052 20 0 FGADHO CC1CC[NH+](C[C@H](O)CN[C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575360677 505968099 /nfs/dbraw/zinc/96/80/99/505968099.db2.gz YHCFTQRLLPGLRW-QUCCMNQESA-N 1 3 350.934 3.344 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289162543 498040774 /nfs/dbraw/zinc/04/07/74/498040774.db2.gz DRDHOLAYSMIPNI-NZSAHSFTSA-N 1 3 358.482 3.062 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289162543 498040781 /nfs/dbraw/zinc/04/07/81/498040781.db2.gz DRDHOLAYSMIPNI-NZSAHSFTSA-N 1 3 358.482 3.062 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618866 498053142 /nfs/dbraw/zinc/05/31/42/498053142.db2.gz AYOKRAGCTAETBS-HKUYNNGSSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618866 498053146 /nfs/dbraw/zinc/05/31/46/498053146.db2.gz AYOKRAGCTAETBS-HKUYNNGSSA-N 1 3 357.523 3.233 20 0 FGADHO O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000572489528 505981526 /nfs/dbraw/zinc/98/15/26/505981526.db2.gz YFFASLDGEGKVMP-UHFFFAOYSA-N 1 3 367.468 3.322 20 0 FGADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000569674451 505989922 /nfs/dbraw/zinc/98/99/22/505989922.db2.gz PZCBPNCCEAZIPN-JOCHJYFZSA-N 1 3 369.553 3.060 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686282 505993402 /nfs/dbraw/zinc/99/34/02/505993402.db2.gz JNERRXKQMJFYOE-DZGCQCFKSA-N 1 3 361.313 3.055 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289579779 498203772 /nfs/dbraw/zinc/20/37/72/498203772.db2.gz TWHMSNXPHSWSGF-RBUKOAKNSA-N 1 3 358.482 3.063 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000281630953 498220113 /nfs/dbraw/zinc/22/01/13/498220113.db2.gz OGPCOFHVXHBWHL-MRXNPFEDSA-N 1 3 374.554 3.403 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000296905702 498245700 /nfs/dbraw/zinc/24/57/00/498245700.db2.gz DTCHWKAUINEFCT-FBVQUNGASA-N 1 3 364.559 3.055 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000296905702 498245707 /nfs/dbraw/zinc/24/57/07/498245707.db2.gz DTCHWKAUINEFCT-FBVQUNGASA-N 1 3 364.559 3.055 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4cnccc4c3)CC2)CC1 ZINC000569744488 506005372 /nfs/dbraw/zinc/00/53/72/506005372.db2.gz SYNBPABVHDMRSX-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717102 498422959 /nfs/dbraw/zinc/42/29/59/498422959.db2.gz AXUIBBQJUFXXSI-OREBXVKISA-N 1 3 361.555 3.168 20 0 FGADHO CN1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720312 498423621 /nfs/dbraw/zinc/42/36/21/498423621.db2.gz XWDBPLWJUKMTAD-AZYQFLJNSA-N 1 3 361.555 3.168 20 0 FGADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(C2CCC2)C1 ZINC000293645828 498440485 /nfs/dbraw/zinc/44/04/85/498440485.db2.gz HUFXQJYLFRUUAT-SFHVURJKSA-N 1 3 355.526 3.229 20 0 FGADHO Cc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000302242120 498456867 /nfs/dbraw/zinc/45/68/67/498456867.db2.gz YJCLXPDGSLJBNR-DFNIBXOVSA-N 1 3 350.510 3.290 20 0 FGADHO Cc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000302242120 498456870 /nfs/dbraw/zinc/45/68/70/498456870.db2.gz YJCLXPDGSLJBNR-DFNIBXOVSA-N 1 3 350.510 3.290 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307751 498460842 /nfs/dbraw/zinc/46/08/42/498460842.db2.gz MUNKPBIIPBMRKV-SFHVURJKSA-N 1 3 352.526 3.425 20 0 FGADHO O=C1O[C@@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463233 498479769 /nfs/dbraw/zinc/47/97/69/498479769.db2.gz LONYJJIGQGEWRJ-LJQANCHMSA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463233 498479773 /nfs/dbraw/zinc/47/97/73/498479773.db2.gz LONYJJIGQGEWRJ-LJQANCHMSA-N 1 3 354.494 3.070 20 0 FGADHO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000290253948 498484678 /nfs/dbraw/zinc/48/46/78/498484678.db2.gz ULKDFTBRSKFNIZ-HWELCPFYSA-N 1 3 357.542 3.326 20 0 FGADHO COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297585705 498502287 /nfs/dbraw/zinc/50/22/87/498502287.db2.gz ITUWBDGXRUTCGZ-IIBYNOLFSA-N 1 3 355.482 3.425 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888231 506045556 /nfs/dbraw/zinc/04/55/56/506045556.db2.gz XEYDOLLIFXYKBV-JJRVBVJISA-N 1 3 354.926 3.148 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000297657087 498527013 /nfs/dbraw/zinc/52/70/13/498527013.db2.gz KLVLOMZISILZQW-OXJNMPFZSA-N 1 3 354.498 3.399 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000569940065 506052925 /nfs/dbraw/zinc/05/29/25/506052925.db2.gz UKQUGYUEYKITQK-SUMWQHHRSA-N 1 3 357.420 3.402 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000569940065 506052927 /nfs/dbraw/zinc/05/29/27/506052927.db2.gz UKQUGYUEYKITQK-SUMWQHHRSA-N 1 3 357.420 3.402 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OC(F)(F)F ZINC000572846791 506066461 /nfs/dbraw/zinc/06/64/61/506066461.db2.gz HFAXYLMNRHNGOU-UHFFFAOYSA-N 1 3 359.436 3.043 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000572852129 506067788 /nfs/dbraw/zinc/06/77/88/506067788.db2.gz HAZOMGBMXPHONS-UHFFFAOYSA-N 1 3 364.493 3.384 20 0 FGADHO C[C@@H](O)[C@@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298063932 498653903 /nfs/dbraw/zinc/65/39/03/498653903.db2.gz KIUFZGSAKUIUGP-XMSQKQJNSA-N 1 3 353.510 3.270 20 0 FGADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130653 498673587 /nfs/dbraw/zinc/67/35/87/498673587.db2.gz PZNSEVRUTUIQSQ-QUCCMNQESA-N 1 3 357.542 3.075 20 0 FGADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130653 498673595 /nfs/dbraw/zinc/67/35/95/498673595.db2.gz PZNSEVRUTUIQSQ-QUCCMNQESA-N 1 3 357.542 3.075 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C4CCC4)CCC3)CC2)CC1 ZINC000572898553 506079434 /nfs/dbraw/zinc/07/94/34/506079434.db2.gz DEQAWLFIJYULMG-UHFFFAOYSA-N 1 3 361.574 3.269 20 0 FGADHO O=C1[C@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1Cl ZINC000298295644 498724154 /nfs/dbraw/zinc/72/41/54/498724154.db2.gz HJYNIICQRKOYNR-GOSISDBHSA-N 1 3 370.884 3.099 20 0 FGADHO Cc1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)c(CN(C)C)c1 ZINC000363256308 498730482 /nfs/dbraw/zinc/73/04/82/498730482.db2.gz JGHUXHUKJMYLCO-UHFFFAOYSA-N 1 3 366.509 3.302 20 0 FGADHO Cc1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)c(C[NH+](C)C)c1 ZINC000363256308 498730489 /nfs/dbraw/zinc/73/04/89/498730489.db2.gz JGHUXHUKJMYLCO-UHFFFAOYSA-N 1 3 366.509 3.302 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260486 498733581 /nfs/dbraw/zinc/73/35/81/498733581.db2.gz WSPYAOAXNLXMEQ-BHDDXSALSA-N 1 3 367.537 3.229 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260486 498733585 /nfs/dbraw/zinc/73/35/85/498733585.db2.gz WSPYAOAXNLXMEQ-BHDDXSALSA-N 1 3 367.537 3.229 20 0 FGADHO Ic1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000306101729 498736647 /nfs/dbraw/zinc/73/66/47/498736647.db2.gz PTEAZLDHJMTOJC-UHFFFAOYSA-N 1 3 358.267 3.257 20 0 FGADHO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311496203 498751517 /nfs/dbraw/zinc/75/15/17/498751517.db2.gz VSIYOHVPLXRUAO-LEWJYISDSA-N 1 3 351.494 3.200 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000312681371 498760557 /nfs/dbraw/zinc/76/05/57/498760557.db2.gz KYZYYHQSKAUWKR-GMQQQROESA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000312681371 498760562 /nfs/dbraw/zinc/76/05/62/498760562.db2.gz KYZYYHQSKAUWKR-GMQQQROESA-N 1 3 365.521 3.349 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298515542 498799354 /nfs/dbraw/zinc/79/93/54/498799354.db2.gz REWANUFOMCWRQJ-UHFFFAOYSA-N 1 3 357.542 3.124 20 0 FGADHO CCc1cccc(OCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000576168735 506092381 /nfs/dbraw/zinc/09/23/81/506092381.db2.gz ZLMWZUIXQBFXBC-OALUTQOASA-N 1 3 360.542 3.449 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295215053 498945588 /nfs/dbraw/zinc/94/55/88/498945588.db2.gz AXVHANWJOHJDJY-UHFFFAOYSA-N 1 3 372.326 3.096 20 0 FGADHO COc1cc2nccc(N3CCC(OCCC[NH+](C)C)CC3)c2cc1OC ZINC000299116457 498969415 /nfs/dbraw/zinc/96/94/15/498969415.db2.gz XFMAYKIIKIOSNO-UHFFFAOYSA-N 1 3 373.497 3.189 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333331535 498982208 /nfs/dbraw/zinc/98/22/08/498982208.db2.gz OIOIXYAVFVNWNP-UHFFFAOYSA-N 1 3 374.504 3.390 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000363811392 499005598 /nfs/dbraw/zinc/00/55/98/499005598.db2.gz CQLODYIKNFSURL-OAQYLSRUSA-N 1 3 361.505 3.331 20 0 FGADHO CCCN(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079067 506127999 /nfs/dbraw/zinc/12/79/99/506127999.db2.gz QMCYTQKRKHQQJG-GOSISDBHSA-N 1 3 363.933 3.468 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307387 499085903 /nfs/dbraw/zinc/08/59/03/499085903.db2.gz ZDKWMQCPYPKGMV-WOJBJXKFSA-N 1 3 364.555 3.118 20 0 FGADHO CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000284307380 499086230 /nfs/dbraw/zinc/08/62/30/499086230.db2.gz ZDKWMQCPYPKGMV-PMACEKPBSA-N 1 3 364.555 3.118 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3CCN(C)CC3)cc2)C1 ZINC000291902653 499097010 /nfs/dbraw/zinc/09/70/10/499097010.db2.gz KDOADNIZHRYSQC-KRWDZBQOSA-N 1 3 359.514 3.078 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3CCN(C)CC3)cc2)C1 ZINC000291902653 499097014 /nfs/dbraw/zinc/09/70/14/499097014.db2.gz KDOADNIZHRYSQC-KRWDZBQOSA-N 1 3 359.514 3.078 20 0 FGADHO CN1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328713 506131879 /nfs/dbraw/zinc/13/18/79/506131879.db2.gz CTZNHRGHTSGRCR-YJBOKZPZSA-N 1 3 358.511 3.411 20 0 FGADHO CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CC1 ZINC000367040393 499138431 /nfs/dbraw/zinc/13/84/31/499138431.db2.gz IZJXIAGGZMCZPC-NRFANRHFSA-N 1 3 372.557 3.138 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)ccc1OC ZINC000367066441 499142618 /nfs/dbraw/zinc/14/26/18/499142618.db2.gz JNLVMGKAAOOCGB-WQFQCULDSA-N 1 3 373.541 3.245 20 0 FGADHO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372780775 499174337 /nfs/dbraw/zinc/17/43/37/499174337.db2.gz LGYQOZFEOGXLLX-NQIIRXRSSA-N 1 3 359.558 3.128 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372780775 499174339 /nfs/dbraw/zinc/17/43/39/499174339.db2.gz LGYQOZFEOGXLLX-NQIIRXRSSA-N 1 3 359.558 3.128 20 0 FGADHO COCOc1ccc(OC)cc1CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367683903 499224505 /nfs/dbraw/zinc/22/45/05/499224505.db2.gz GMAZUCVUFCPENQ-UHFFFAOYSA-N 1 3 371.481 3.174 20 0 FGADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000370608399 499235421 /nfs/dbraw/zinc/23/54/21/499235421.db2.gz LJEPSQGAGFUQEI-PNJWGLBASA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000370608399 499235422 /nfs/dbraw/zinc/23/54/22/499235422.db2.gz LJEPSQGAGFUQEI-PNJWGLBASA-N 1 3 371.569 3.303 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000370608399 499235423 /nfs/dbraw/zinc/23/54/23/499235423.db2.gz LJEPSQGAGFUQEI-PNJWGLBASA-N 1 3 371.569 3.303 20 0 FGADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4c5ccccc5[nH]c43)C2)CC1 ZINC000368007226 499254401 /nfs/dbraw/zinc/25/44/01/499254401.db2.gz PMZLKRGYDNOHTM-IERDGZPVSA-N 1 3 352.526 3.303 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026071 499256702 /nfs/dbraw/zinc/25/67/02/499256702.db2.gz ZVLZFUIPBGNNQK-JJCGOBCMSA-N 1 3 368.525 3.425 20 0 FGADHO Fc1ccccc1CN1CCC(C[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000368213706 499274945 /nfs/dbraw/zinc/27/49/45/499274945.db2.gz CBYOFANCSCEGAI-UHFFFAOYSA-N 1 3 353.445 3.050 20 0 FGADHO Cn1cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c(C(C)(C)C)n1 ZINC000368303637 499283498 /nfs/dbraw/zinc/28/34/98/499283498.db2.gz POJVUUXBTYKDPS-UHFFFAOYSA-N 1 3 355.530 3.461 20 0 FGADHO Cn1cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c(C(C)(C)C)n1 ZINC000368303637 499283500 /nfs/dbraw/zinc/28/35/00/499283500.db2.gz POJVUUXBTYKDPS-UHFFFAOYSA-N 1 3 355.530 3.461 20 0 FGADHO c1ccc2sc(N3CCC(N[C@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110531 499289328 /nfs/dbraw/zinc/28/93/28/499289328.db2.gz ZITYZYAJJKQHGJ-DLBZAZTESA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC(N[C@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110531 499289330 /nfs/dbraw/zinc/28/93/30/499289330.db2.gz ZITYZYAJJKQHGJ-DLBZAZTESA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC([NH2+][C@H]4CCN5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110531 499289331 /nfs/dbraw/zinc/28/93/31/499289331.db2.gz ZITYZYAJJKQHGJ-DLBZAZTESA-N 1 3 356.539 3.482 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378425929 499515709 /nfs/dbraw/zinc/51/57/09/499515709.db2.gz GTGVSYCSXUZYIJ-QAPCUYQASA-N 1 3 367.484 3.449 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378425929 499515710 /nfs/dbraw/zinc/51/57/10/499515710.db2.gz GTGVSYCSXUZYIJ-QAPCUYQASA-N 1 3 367.484 3.449 20 0 FGADHO CC(C)N1CCN(CCC[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccccc2)CC1 ZINC000375445725 499519839 /nfs/dbraw/zinc/51/98/39/499519839.db2.gz AYICSKMRBVPZRS-DHIUTWEWSA-N 1 3 372.601 3.075 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000375647770 499541018 /nfs/dbraw/zinc/54/10/18/499541018.db2.gz FZUDXRVYNPICQY-NRFANRHFSA-N 1 3 368.525 3.308 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740233 499550481 /nfs/dbraw/zinc/55/04/81/499550481.db2.gz FDHFDYHZRHAOBL-LQTBCPLBSA-N 1 3 350.453 3.457 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740233 499550483 /nfs/dbraw/zinc/55/04/83/499550483.db2.gz FDHFDYHZRHAOBL-LQTBCPLBSA-N 1 3 350.453 3.457 20 0 FGADHO OC1(C[NH2+]Cc2ccnc3ccccc23)CCN(Cc2ccccc2)CC1 ZINC000397578499 499564402 /nfs/dbraw/zinc/56/44/02/499564402.db2.gz DJFKBYINHGFYSW-UHFFFAOYSA-N 1 3 361.489 3.352 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397996487 499565879 /nfs/dbraw/zinc/56/58/79/499565879.db2.gz SPQHGEKRXYVFNF-KJXAQDMKSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000397996487 499565881 /nfs/dbraw/zinc/56/58/81/499565881.db2.gz SPQHGEKRXYVFNF-KJXAQDMKSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000398058012 499566217 /nfs/dbraw/zinc/56/62/17/499566217.db2.gz LSSNWVPQLIDJLZ-UIFIKXQLSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000410345271 499656314 /nfs/dbraw/zinc/65/63/14/499656314.db2.gz PNTPAZBOLOAZDO-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000410345271 499656315 /nfs/dbraw/zinc/65/63/15/499656315.db2.gz PNTPAZBOLOAZDO-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000377398926 499687098 /nfs/dbraw/zinc/68/70/98/499687098.db2.gz BQOASQOUMNFQQB-FXAWDEMLSA-N 1 3 354.498 3.233 20 0 FGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000411283624 499721421 /nfs/dbraw/zinc/72/14/21/499721421.db2.gz ZKBGNYTWUPGDRU-UHFFFAOYSA-N 1 3 371.569 3.217 20 0 FGADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000414128436 499762949 /nfs/dbraw/zinc/76/29/49/499762949.db2.gz RZAWVNUSZXVOGI-KSEOMHKRSA-N 1 3 352.526 3.243 20 0 FGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414294223 499775111 /nfs/dbraw/zinc/77/51/11/499775111.db2.gz BSVXYHMQDGVMPF-SIKLNZKXSA-N 1 3 368.521 3.379 20 0 FGADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331851 499778670 /nfs/dbraw/zinc/77/86/70/499778670.db2.gz UNADYOFFHGPJBN-IRXDYDNUSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336545 499778846 /nfs/dbraw/zinc/77/88/46/499778846.db2.gz ZNFOINQDPLTCGA-SFTDATJTSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414559524 499809087 /nfs/dbraw/zinc/80/90/87/499809087.db2.gz UTHRLYKLXOHYEP-UHFFFAOYSA-N 1 3 357.523 3.044 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000414715281 499822195 /nfs/dbraw/zinc/82/21/95/499822195.db2.gz WINLPDHVKFMZFG-YVERFSONSA-N 1 3 355.526 3.142 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000414715281 499822196 /nfs/dbraw/zinc/82/21/96/499822196.db2.gz WINLPDHVKFMZFG-YVERFSONSA-N 1 3 355.526 3.142 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771719 499828952 /nfs/dbraw/zinc/82/89/52/499828952.db2.gz AHJROZYAJRHHOK-WMLDXEAASA-N 1 3 356.432 3.496 20 0 FGADHO C[C@@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771719 499828953 /nfs/dbraw/zinc/82/89/53/499828953.db2.gz AHJROZYAJRHHOK-WMLDXEAASA-N 1 3 356.432 3.496 20 0 FGADHO C[C@H](C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771718 499829105 /nfs/dbraw/zinc/82/91/05/499829105.db2.gz AHJROZYAJRHHOK-RHSMWYFYSA-N 1 3 356.432 3.496 20 0 FGADHO C[C@H](C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771718 499829107 /nfs/dbraw/zinc/82/91/07/499829107.db2.gz AHJROZYAJRHHOK-RHSMWYFYSA-N 1 3 356.432 3.496 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@H]21 ZINC000412188520 499832071 /nfs/dbraw/zinc/83/20/71/499832071.db2.gz BUWCHJMACUUAER-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@H]21 ZINC000412188520 499832072 /nfs/dbraw/zinc/83/20/72/499832072.db2.gz BUWCHJMACUUAER-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842275 499836782 /nfs/dbraw/zinc/83/67/82/499836782.db2.gz OFHBPYIPMFHNFX-OCCSQVGLSA-N 1 3 361.408 3.265 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414877022 499840411 /nfs/dbraw/zinc/84/04/11/499840411.db2.gz FGIDDQCXDQFSHR-FQEVSTJZSA-N 1 3 370.497 3.011 20 0 FGADHO COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)CC[NH3+])cc1 ZINC000414889859 499841959 /nfs/dbraw/zinc/84/19/59/499841959.db2.gz GSBHKTAMALATNZ-MRXNPFEDSA-N 1 3 350.466 3.375 20 0 FGADHO COC[C@]1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCCN1 ZINC000414952862 499848307 /nfs/dbraw/zinc/84/83/07/499848307.db2.gz ISKYRPCBDPAYTE-OAQYLSRUSA-N 1 3 360.448 3.455 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000414990691 499852079 /nfs/dbraw/zinc/85/20/79/499852079.db2.gz AKQJWJVLRTUAOO-RYUDHWBXSA-N 1 3 354.285 3.181 20 0 FGADHO Brc1cccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415080778 499861761 /nfs/dbraw/zinc/86/17/61/499861761.db2.gz MANCCIYOECGNII-GVDBMIGSSA-N 1 3 353.304 3.338 20 0 FGADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c(Oc2ccccc2)c1 ZINC000415088131 499862219 /nfs/dbraw/zinc/86/22/19/499862219.db2.gz USKXJBWREZDVAQ-SFHVURJKSA-N 1 3 367.493 3.074 20 0 FGADHO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415107240 499864558 /nfs/dbraw/zinc/86/45/58/499864558.db2.gz NNYACGMBEXXCBR-YOEHRIQHSA-N 1 3 371.447 3.334 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111986 499865196 /nfs/dbraw/zinc/86/51/96/499865196.db2.gz RQYAMXJDKZQSHR-IRXDYDNUSA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111982 499865295 /nfs/dbraw/zinc/86/52/95/499865295.db2.gz RQYAMXJDKZQSHR-DLBZAZTESA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000415115138 499865349 /nfs/dbraw/zinc/86/53/49/499865349.db2.gz WHLNXYOTFBXSDC-MJGOQNOKSA-N 1 3 354.441 3.049 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C1 ZINC000415123569 499866883 /nfs/dbraw/zinc/86/68/83/499866883.db2.gz LGBXXHJWGRFFPY-SJLPKXTDSA-N 1 3 372.431 3.346 20 0 FGADHO CCCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127264 499867313 /nfs/dbraw/zinc/86/73/13/499867313.db2.gz QRMNQQBAZKSXFT-ICSRJNTNSA-N 1 3 362.514 3.202 20 0 FGADHO [NH3+]C1(CNCc2cnc(C3CCC3)s2)CCN(Cc2ccccc2)CC1 ZINC000415131736 499868034 /nfs/dbraw/zinc/86/80/34/499868034.db2.gz JVABRKYYLKGFEQ-UHFFFAOYSA-N 1 3 370.566 3.494 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000582231462 506165193 /nfs/dbraw/zinc/16/51/93/506165193.db2.gz XTWMPOGEZLAGCH-TYCQWZJGSA-N 1 3 366.509 3.108 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000413193538 499925139 /nfs/dbraw/zinc/92/51/39/499925139.db2.gz AMFJWUJXDXPWBQ-OALUTQOASA-N 1 3 364.578 3.059 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH2+]C)N(C)C)cc1 ZINC000415894983 499925303 /nfs/dbraw/zinc/92/53/03/499925303.db2.gz ATVBUASCTPTLMM-HXUWFJFHSA-N 1 3 354.498 3.393 20 0 FGADHO CC[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)N1CCc2ccccc2C1 ZINC000415907061 499926813 /nfs/dbraw/zinc/92/68/13/499926813.db2.gz ZLQOLQZLWPMGSF-FQEVSTJZSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415909380 499927212 /nfs/dbraw/zinc/92/72/12/499927212.db2.gz FWSSYRGZDKTJTJ-LJQANCHMSA-N 1 3 352.482 3.144 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415910072 499927445 /nfs/dbraw/zinc/92/74/45/499927445.db2.gz AVNFCQBLWZYJSI-UTKZUKDTSA-N 1 3 366.509 3.438 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000415913636 499927695 /nfs/dbraw/zinc/92/76/95/499927695.db2.gz QBTSJRDWLQCZNT-VQIMIIECSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000415914030 499927868 /nfs/dbraw/zinc/92/78/68/499927868.db2.gz UBTKEYWRHSUKQO-YLJYHZDGSA-N 1 3 366.509 3.438 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)Nc3ccc(C[NH3+])cc3)c(C)c2)CC1 ZINC000415971668 499935724 /nfs/dbraw/zinc/93/57/24/499935724.db2.gz GOGMOHPRBQKMMK-UHFFFAOYSA-N 1 3 367.497 3.240 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000415973115 499935873 /nfs/dbraw/zinc/93/58/73/499935873.db2.gz NTGVLCNOJDDPFC-OXJNMPFZSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415976967 499936233 /nfs/dbraw/zinc/93/62/33/499936233.db2.gz WBKYIAXQRUGDJF-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000415980238 499936938 /nfs/dbraw/zinc/93/69/38/499936938.db2.gz SDBNIXYTUBCUFF-HXUWFJFHSA-N 1 3 352.482 3.274 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984170 499937400 /nfs/dbraw/zinc/93/74/00/499937400.db2.gz OYCCYUJDRGJDKT-UZLBHIALSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNC3)c1 ZINC000416000333 499939596 /nfs/dbraw/zinc/93/95/96/499939596.db2.gz XCRPZNUJJSYNFC-UHFFFAOYSA-N 1 3 352.482 3.453 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000416151800 499960490 /nfs/dbraw/zinc/96/04/90/499960490.db2.gz SKMZLWOMZPYBPK-UHFFFAOYSA-N 1 3 351.494 3.178 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972961 /nfs/dbraw/zinc/97/29/61/499972961.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972962 /nfs/dbraw/zinc/97/29/62/499972962.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 1 3 360.546 3.071 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000429044346 499993630 /nfs/dbraw/zinc/99/36/30/499993630.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 1 3 358.526 3.410 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000429044346 499993633 /nfs/dbraw/zinc/99/36/33/499993633.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 1 3 358.526 3.410 20 0 FGADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000417215830 500007164 /nfs/dbraw/zinc/00/71/64/500007164.db2.gz NXFKSHWQZRAPQL-NQIIRXRSSA-N 1 3 372.557 3.228 20 0 FGADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000417215831 500007690 /nfs/dbraw/zinc/00/76/90/500007690.db2.gz NXFKSHWQZRAPQL-RXVVDRJESA-N 1 3 372.557 3.228 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417217515 500008058 /nfs/dbraw/zinc/00/80/58/500008058.db2.gz DKFDXLBEEPSRLG-CSODHUTKSA-N 1 3 366.509 3.341 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100560 /nfs/dbraw/zinc/10/05/60/500100560.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 1 3 356.510 3.282 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100564 /nfs/dbraw/zinc/10/05/64/500100564.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 1 3 356.510 3.282 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458628 500112105 /nfs/dbraw/zinc/11/21/05/500112105.db2.gz MQSLAZIDBVFOTG-IBGZPJMESA-N 1 3 358.530 3.019 20 0 FGADHO CCC[NH2+]CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416945783 500163699 /nfs/dbraw/zinc/16/36/99/500163699.db2.gz AJNYUVOACMIIRL-UHFFFAOYSA-N 1 3 368.525 3.214 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000416998583 500180157 /nfs/dbraw/zinc/18/01/57/500180157.db2.gz BDLFTRXTLCPSSM-SFHVURJKSA-N 1 3 366.575 3.162 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000422004622 500195722 /nfs/dbraw/zinc/19/57/22/500195722.db2.gz GZYVRDHUXBBXID-KKXNLOMOSA-N 1 3 361.505 3.027 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000418037024 500218278 /nfs/dbraw/zinc/21/82/78/500218278.db2.gz QOBXKJVXSBXNAL-OAQYLSRUSA-N 1 3 374.573 3.174 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418153811 500238072 /nfs/dbraw/zinc/23/80/72/500238072.db2.gz JGQHCTYEAZPXEG-UFYCRDLUSA-N 1 3 372.557 3.104 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422258033 500242759 /nfs/dbraw/zinc/24/27/59/500242759.db2.gz JNPRZAMIOYHQQH-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)N(C)C ZINC000418175994 500242754 /nfs/dbraw/zinc/24/27/54/500242754.db2.gz GNSKZJUJONQUIM-RXVVDRJESA-N 1 3 368.525 3.157 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)N(CC)CC)cc1 ZINC000418223745 500251841 /nfs/dbraw/zinc/25/18/41/500251841.db2.gz YZLLRCORUTZWBW-AHRSYUTCSA-N 1 3 360.546 3.011 20 0 FGADHO CSc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000418228325 500252778 /nfs/dbraw/zinc/25/27/78/500252778.db2.gz DSUBUFJBMBIBKK-OALUTQOASA-N 1 3 372.538 3.010 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000418228327 500253002 /nfs/dbraw/zinc/25/30/02/500253002.db2.gz DSUBUFJBMBIBKK-RTBURBONSA-N 1 3 372.538 3.010 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311196 500260632 /nfs/dbraw/zinc/26/06/32/500260632.db2.gz LMRCANDHKNZKRF-KOUHRCEDSA-N 1 3 372.557 3.069 20 0 FGADHO [NH3+]CCCNC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418311910 500260786 /nfs/dbraw/zinc/26/07/86/500260786.db2.gz NBMJYYFBSFUPRQ-OAQYLSRUSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601407 500260840 /nfs/dbraw/zinc/26/08/40/500260840.db2.gz TZWUSUISPVSBRL-DJPFJPOOSA-N 1 3 371.550 3.403 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418421751 500274244 /nfs/dbraw/zinc/27/42/44/500274244.db2.gz CUUDNFGYPYFEDH-WIYYLYMNSA-N 1 3 372.557 3.373 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418421751 500274249 /nfs/dbraw/zinc/27/42/49/500274249.db2.gz CUUDNFGYPYFEDH-WIYYLYMNSA-N 1 3 372.557 3.373 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418427863 500275376 /nfs/dbraw/zinc/27/53/76/500275376.db2.gz OHENAQLYYLGELV-QHAWAJNXSA-N 1 3 372.557 3.058 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422701036 500287208 /nfs/dbraw/zinc/28/72/08/500287208.db2.gz HWQVSOKRFDWCNB-MRXNPFEDSA-N 1 3 352.526 3.336 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422703277 500287888 /nfs/dbraw/zinc/28/78/88/500287888.db2.gz HKXCIKFXNUCWAN-IIAWOOMASA-N 1 3 352.320 3.006 20 0 FGADHO COCCN(C)CC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707518 500288003 /nfs/dbraw/zinc/28/80/03/500288003.db2.gz AGQHYBXSFIAMJO-FSSWDIPSSA-N 1 3 353.510 3.430 20 0 FGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422717395 500289205 /nfs/dbraw/zinc/28/92/05/500289205.db2.gz VPXLPTNGEQWKNT-ICSRJNTNSA-N 1 3 361.599 3.286 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731693 500291217 /nfs/dbraw/zinc/29/12/17/500291217.db2.gz OAMDKFDRYGZYTF-JKIFEVAISA-N 1 3 357.420 3.142 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422738282 500292251 /nfs/dbraw/zinc/29/22/51/500292251.db2.gz YJOSGTIIHFVKGL-ZTFGCOKTSA-N 1 3 355.448 3.257 20 0 FGADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760146 500295172 /nfs/dbraw/zinc/29/51/72/500295172.db2.gz GESGNLXGBJBWCI-PWIZWCRZSA-N 1 3 370.493 3.116 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798930 500298958 /nfs/dbraw/zinc/29/89/58/500298958.db2.gz UHGHQJREQTUIID-TZMCWYRMSA-N 1 3 365.880 3.143 20 0 FGADHO CCc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797877 500299045 /nfs/dbraw/zinc/29/90/45/500299045.db2.gz OWCIISZWSLKUKQ-IIBYNOLFSA-N 1 3 374.550 3.459 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)c1ccccc1 ZINC000418678277 500306692 /nfs/dbraw/zinc/30/66/92/500306692.db2.gz SLGGANNHISTCRI-PMACEKPBSA-N 1 3 358.530 3.127 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864213 500307498 /nfs/dbraw/zinc/30/74/98/500307498.db2.gz UPTQLAHPDUQWEF-ZIAGYGMSSA-N 1 3 367.559 3.413 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873221 500308134 /nfs/dbraw/zinc/30/81/34/500308134.db2.gz KOKCPEZXXPOYMY-NHCYSSNCSA-N 1 3 350.816 3.048 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884606 500310392 /nfs/dbraw/zinc/31/03/92/500310392.db2.gz SEAKFMFAPBMILL-APHBMKBZSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1ccc(Br)cc1 ZINC000422884606 500310395 /nfs/dbraw/zinc/31/03/95/500310395.db2.gz SEAKFMFAPBMILL-APHBMKBZSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418711633 500310699 /nfs/dbraw/zinc/31/06/99/500310699.db2.gz WNLHCNPYIWDKRC-ZWOKBUDYSA-N 1 3 372.557 3.054 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422901357 500313593 /nfs/dbraw/zinc/31/35/93/500313593.db2.gz BVBRREIYLJMUFM-YOEHRIQHSA-N 1 3 374.916 3.440 20 0 FGADHO COc1ccc(OCCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422900650 500314075 /nfs/dbraw/zinc/31/40/75/500314075.db2.gz QVBIXDRGDGLCEH-UNMCSNQZSA-N 1 3 368.477 3.310 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906751 500314674 /nfs/dbraw/zinc/31/46/74/500314674.db2.gz AMZMZCJFAPXYER-GFCCVEGCSA-N 1 3 359.424 3.487 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422911865 500315262 /nfs/dbraw/zinc/31/52/62/500315262.db2.gz UPJACYFGNOZODP-XLAORIBOSA-N 1 3 363.933 3.438 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OC2CCC2)CC[NH2+]CC1 ZINC000422913194 500315508 /nfs/dbraw/zinc/31/55/08/500315508.db2.gz PHJUMUCQNFFSNQ-MRXNPFEDSA-N 1 3 360.498 3.029 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418750128 500317827 /nfs/dbraw/zinc/31/78/27/500317827.db2.gz NNZRQVQOLIBXMN-GIVPXCGWSA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418755823 500318863 /nfs/dbraw/zinc/31/88/63/500318863.db2.gz XRKCIDXUFRELOX-QGZVFWFLSA-N 1 3 352.567 3.061 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014479 500331173 /nfs/dbraw/zinc/33/11/73/500331173.db2.gz PFCVYYRGJZSZML-GWCFXTLKSA-N 1 3 351.800 3.240 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024545 500332465 /nfs/dbraw/zinc/33/24/65/500332465.db2.gz LYJBRPMLYYEUPB-MRFFXTKBSA-N 1 3 360.452 3.223 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025136 500332668 /nfs/dbraw/zinc/33/26/68/500332668.db2.gz KTJMEJQFMIKPSM-JMUQELJHSA-N 1 3 365.521 3.352 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423046056 500334898 /nfs/dbraw/zinc/33/48/98/500334898.db2.gz CZIZSIDFJOWYKL-HZPDHXFCSA-N 1 3 359.283 3.383 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046199 500335143 /nfs/dbraw/zinc/33/51/43/500335143.db2.gz FCKGVMQFDRYVNZ-TZYHBYERSA-N 1 3 352.522 3.430 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423152370 500349271 /nfs/dbraw/zinc/34/92/71/500349271.db2.gz FSCBDMKDYXGXMD-QILLFSRXSA-N 1 3 369.347 3.016 20 0 FGADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2C[C@H](N)c3ccccc32)c(OC)c1 ZINC000423162172 500349921 /nfs/dbraw/zinc/34/99/21/500349921.db2.gz SWTWTFKMBQMNPY-AGRHKRQWSA-N 1 3 356.466 3.378 20 0 FGADHO C[NH2+]C[C@H](C)CN[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255446 500358543 /nfs/dbraw/zinc/35/85/43/500358543.db2.gz ABCJUBSPGAVDJS-SUMWQHHRSA-N 1 3 355.320 3.362 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419378549 500359465 /nfs/dbraw/zinc/35/94/65/500359465.db2.gz VUNAFDSGINCCRM-NCXUSEDFSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419378549 500359468 /nfs/dbraw/zinc/35/94/68/500359468.db2.gz VUNAFDSGINCCRM-NCXUSEDFSA-N 1 3 357.542 3.132 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314766 500363578 /nfs/dbraw/zinc/36/35/78/500363578.db2.gz HRRHUIKZNRWAQX-FOIQADDNSA-N 1 3 350.466 3.301 20 0 FGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423512032 500380669 /nfs/dbraw/zinc/38/06/69/500380669.db2.gz UFVWUWJWCDHHBK-KSSFIOAISA-N 1 3 364.486 3.360 20 0 FGADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423526015 500382580 /nfs/dbraw/zinc/38/25/80/500382580.db2.gz KXQCDQPXHFXKBN-HMSUTVNQSA-N 1 3 371.525 3.156 20 0 FGADHO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCCN(C)C)c1 ZINC000423529641 500383326 /nfs/dbraw/zinc/38/33/26/500383326.db2.gz QEKCWMINWKDTQD-NKZGEROYSA-N 1 3 371.569 3.431 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423769511 500400364 /nfs/dbraw/zinc/40/03/64/500400364.db2.gz CJXZIJUDZSPSBZ-QMMLZNLJSA-N 1 3 365.521 3.349 20 0 FGADHO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](N)c1ccccc1 ZINC000423784519 500401574 /nfs/dbraw/zinc/40/15/74/500401574.db2.gz MLUOWDWGRNDPLX-FQEVSTJZSA-N 1 3 366.509 3.140 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000431776569 500423552 /nfs/dbraw/zinc/42/35/52/500423552.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 1 3 371.569 3.418 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000431776569 500423553 /nfs/dbraw/zinc/42/35/53/500423553.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 1 3 371.569 3.418 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845526 500433175 /nfs/dbraw/zinc/43/31/75/500433175.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 1 3 359.558 3.259 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431845526 500433177 /nfs/dbraw/zinc/43/31/77/500433177.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 1 3 359.558 3.259 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295021 500435707 /nfs/dbraw/zinc/43/57/07/500435707.db2.gz BUBDXPDCJUEEHC-UTKZUKDTSA-N 1 3 351.494 3.034 20 0 FGADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420319975 500440510 /nfs/dbraw/zinc/44/05/10/500440510.db2.gz PUEKPSJIGNHHDJ-PMACEKPBSA-N 1 3 359.539 3.307 20 0 FGADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337869 500443856 /nfs/dbraw/zinc/44/38/56/500443856.db2.gz KFOCBANVGPWZKX-DBVUQKKJSA-N 1 3 357.542 3.460 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337948 500444176 /nfs/dbraw/zinc/44/41/76/500444176.db2.gz XLOPQOAHUQJNPL-UKRRQHHQSA-N 1 3 358.404 3.334 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1)C(C)C ZINC000424086519 500450713 /nfs/dbraw/zinc/45/07/13/500450713.db2.gz ZHNGIJASGABCGK-FQEVSTJZSA-N 1 3 351.494 3.447 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1)C(C)C ZINC000424086519 500450714 /nfs/dbraw/zinc/45/07/14/500450714.db2.gz ZHNGIJASGABCGK-FQEVSTJZSA-N 1 3 351.494 3.447 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000420384779 500452497 /nfs/dbraw/zinc/45/24/97/500452497.db2.gz SCUBEINYMCNKSJ-RBBKRZOGSA-N 1 3 354.494 3.437 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248050 500475023 /nfs/dbraw/zinc/47/50/23/500475023.db2.gz WYOURSWSKLSYBJ-QGZVFWFLSA-N 1 3 355.526 3.275 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000424299325 500483086 /nfs/dbraw/zinc/48/30/86/500483086.db2.gz DWCWHEWSFVEUFP-FGZHOGPDSA-N 1 3 365.521 3.117 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(I)c1 ZINC000424370917 500493202 /nfs/dbraw/zinc/49/32/02/500493202.db2.gz FCKZTCWUSWLVKO-OWYVNGRQSA-N 1 3 362.230 3.351 20 0 FGADHO OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462381 500513620 /nfs/dbraw/zinc/51/36/20/500513620.db2.gz SVDBSEJMRWDDMZ-SSGKUCQKSA-N 1 3 372.553 3.056 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420919762 500530377 /nfs/dbraw/zinc/53/03/77/500530377.db2.gz SPABSVBKRVLROD-FQVISZRSSA-N 1 3 372.557 3.384 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421028206 500558958 /nfs/dbraw/zinc/55/89/58/500558958.db2.gz WHEVKJGBBZHJBU-FQEVSTJZSA-N 1 3 357.542 3.244 20 0 FGADHO COC1(CNCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858933 500566909 /nfs/dbraw/zinc/56/69/09/500566909.db2.gz GRQJGSWAUROEMV-KDURUIRLSA-N 1 3 360.542 3.450 20 0 FGADHO COC1(CNCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858933 500566911 /nfs/dbraw/zinc/56/69/11/500566911.db2.gz GRQJGSWAUROEMV-KDURUIRLSA-N 1 3 360.542 3.450 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442777022 500624340 /nfs/dbraw/zinc/62/43/40/500624340.db2.gz FIYKNFCXCPBFDB-GOSISDBHSA-N 1 3 363.505 3.408 20 0 FGADHO [NH3+]CC[C@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920386 500647217 /nfs/dbraw/zinc/64/72/17/500647217.db2.gz LFHGFDDGQUJHFY-CQSZACIVSA-N 1 3 363.303 3.196 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000443005674 500661506 /nfs/dbraw/zinc/66/15/06/500661506.db2.gz XAOKQELCHHBXMB-MSOLQXFVSA-N 1 3 356.432 3.481 20 0 FGADHO C[NH+](C)CCOc1ccc(CCNCc2cnc(C(F)(F)F)s2)cc1 ZINC000443979336 500786227 /nfs/dbraw/zinc/78/62/27/500786227.db2.gz AKFUNTBJDBIZGN-UHFFFAOYSA-N 1 3 373.444 3.435 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664870 506219017 /nfs/dbraw/zinc/21/90/17/506219017.db2.gz LJPKKGIINCOKLR-WOIUINJBSA-N 1 3 371.569 3.271 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664870 506219025 /nfs/dbraw/zinc/21/90/25/506219025.db2.gz LJPKKGIINCOKLR-WOIUINJBSA-N 1 3 371.569 3.271 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445436 500844190 /nfs/dbraw/zinc/84/41/90/500844190.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445436 500844191 /nfs/dbraw/zinc/84/41/91/500844191.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 1 3 355.526 3.032 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000444779782 500898338 /nfs/dbraw/zinc/89/83/38/500898338.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 1 3 355.526 3.048 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCCC23CCC3)CC1 ZINC000444779782 500898339 /nfs/dbraw/zinc/89/83/39/500898339.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 1 3 355.526 3.048 20 0 FGADHO COc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc2ccccc21 ZINC000449155342 500936761 /nfs/dbraw/zinc/93/67/61/500936761.db2.gz BFGNPHGJYSSQTO-QGZVFWFLSA-N 1 3 354.494 3.439 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204774 500947409 /nfs/dbraw/zinc/94/74/09/500947409.db2.gz JNNJRZWYZCSLLW-FDDCHVKYSA-N 1 3 370.512 3.414 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000449215207 500949900 /nfs/dbraw/zinc/94/99/00/500949900.db2.gz NDIFTGIFXNADDY-UGKGYDQZSA-N 1 3 364.537 3.346 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439965193 500960872 /nfs/dbraw/zinc/96/08/72/500960872.db2.gz ZUDYZLIZKOXDSW-RTWAWAEBSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439965193 500960874 /nfs/dbraw/zinc/96/08/74/500960874.db2.gz ZUDYZLIZKOXDSW-RTWAWAEBSA-N 1 3 355.526 3.174 20 0 FGADHO CCO[C@@H]1C[C@@](CO)(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267440 500962011 /nfs/dbraw/zinc/96/20/11/500962011.db2.gz ZJWXLXMSOUITJF-ZEYPLWLESA-N 1 3 374.569 3.238 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376741 500963129 /nfs/dbraw/zinc/96/31/29/500963129.db2.gz UJFLWPHYUQKOTA-RRFJBIMHSA-N 1 3 358.404 3.196 20 0 FGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387666 500965882 /nfs/dbraw/zinc/96/58/82/500965882.db2.gz AYEUMGCDEYNJDG-JRGCBEDISA-N 1 3 359.477 3.103 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449291857 500968848 /nfs/dbraw/zinc/96/88/48/500968848.db2.gz OCRXBWSOGUIBBL-QGZVFWFLSA-N 1 3 366.509 3.225 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(I)cc1 ZINC000449330231 500979271 /nfs/dbraw/zinc/97/92/71/500979271.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(I)cc1 ZINC000449330231 500979272 /nfs/dbraw/zinc/97/92/72/500979272.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 1 3 358.267 3.063 20 0 FGADHO CC[C@H](C)N1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449631248 501046737 /nfs/dbraw/zinc/04/67/37/501046737.db2.gz ORUPBZZPPCHHRD-IBGZPJMESA-N 1 3 358.574 3.133 20 0 FGADHO CC[NH+]1CCC(N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 ZINC000449758075 501077433 /nfs/dbraw/zinc/07/74/33/501077433.db2.gz UTJCUEOXZIGSFW-ZWKOTPCHSA-N 1 3 355.448 3.091 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000611626136 506233533 /nfs/dbraw/zinc/23/35/33/506233533.db2.gz ZMRBHLHRAWIJIK-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO CC(C)Oc1ccc2nccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000450342065 501095531 /nfs/dbraw/zinc/09/55/31/501095531.db2.gz PPIRQDVBYBJFRO-QGZVFWFLSA-N 1 3 369.509 3.357 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449835395 501101594 /nfs/dbraw/zinc/10/15/94/501101594.db2.gz PMAQEJLLIYCIEA-FQEVSTJZSA-N 1 3 373.541 3.040 20 0 FGADHO CCc1ccc2nccc(N3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422680 501118309 /nfs/dbraw/zinc/11/83/09/501118309.db2.gz VPEQNDIKYFYMQK-KRWDZBQOSA-N 1 3 352.526 3.402 20 0 FGADHO CCc1ccc2nccc(N3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422680 501118312 /nfs/dbraw/zinc/11/83/12/501118312.db2.gz VPEQNDIKYFYMQK-KRWDZBQOSA-N 1 3 352.526 3.402 20 0 FGADHO Cc1ccc([C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818268 501168037 /nfs/dbraw/zinc/16/80/37/501168037.db2.gz MURFKZOSXBINEK-RTWAWAEBSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccc([C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818268 501168041 /nfs/dbraw/zinc/16/80/41/501168041.db2.gz MURFKZOSXBINEK-RTWAWAEBSA-N 1 3 357.542 3.403 20 0 FGADHO CC1(C)OCC[C@H]1NCc1cc(C[NH2+][C@@H]2CCOC2(C)C)ccc1F ZINC000451243119 501254507 /nfs/dbraw/zinc/25/45/07/501254507.db2.gz OXDCBXPQUHXLIC-QZTJIDSGSA-N 1 3 350.478 3.140 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000582475147 506242873 /nfs/dbraw/zinc/24/28/73/506242873.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 1 3 357.542 3.014 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000582475147 506242880 /nfs/dbraw/zinc/24/28/80/506242880.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 1 3 357.542 3.014 20 0 FGADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453077056 501263999 /nfs/dbraw/zinc/26/39/99/501263999.db2.gz VYYQYZNLCGTBRO-DNVJHFABSA-N 1 3 371.569 3.130 20 0 FGADHO CCC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108007 501271007 /nfs/dbraw/zinc/27/10/07/501271007.db2.gz JZKDOEKQBDLUQQ-LEWJYISDSA-N 1 3 357.542 3.442 20 0 FGADHO COc1ccc2c(c1)C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)CO2 ZINC000453108437 501271204 /nfs/dbraw/zinc/27/12/04/501271204.db2.gz NTYKJXJBOMQHLQ-IBGZPJMESA-N 1 3 370.493 3.119 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195344 501288525 /nfs/dbraw/zinc/28/85/25/501288525.db2.gz JNTMFTKKPMCOQG-DSKINZAPSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195344 501288528 /nfs/dbraw/zinc/28/85/28/501288528.db2.gz JNTMFTKKPMCOQG-DSKINZAPSA-N 1 3 366.505 3.499 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453234863 501295578 /nfs/dbraw/zinc/29/55/78/501295578.db2.gz XECXJBMXLVESJT-KSEOMHKRSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453234863 501295581 /nfs/dbraw/zinc/29/55/81/501295581.db2.gz XECXJBMXLVESJT-KSEOMHKRSA-N 1 3 350.510 3.360 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498072 501306875 /nfs/dbraw/zinc/30/68/75/501306875.db2.gz NDQBCUMGQBINRQ-FCHUYYIVSA-N 1 3 373.585 3.376 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458172879 501384421 /nfs/dbraw/zinc/38/44/21/501384421.db2.gz WJHPSJJRGTXSCF-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458376378 501430830 /nfs/dbraw/zinc/43/08/30/501430830.db2.gz QNONWLPITTUKSA-MSOLQXFVSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555122 501473290 /nfs/dbraw/zinc/47/32/90/501473290.db2.gz LZPFAAHULZYSNT-GFOJFJKKSA-N 1 3 372.557 3.097 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358540 501522019 /nfs/dbraw/zinc/52/20/19/501522019.db2.gz GRXINQMSPZZSHK-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680696 501608228 /nfs/dbraw/zinc/60/82/28/501608228.db2.gz ZDSJNNLEZFRWKL-RTBURBONSA-N 1 3 374.573 3.126 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459317988 501629536 /nfs/dbraw/zinc/62/95/36/501629536.db2.gz QSXRZILWSSAUBP-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459317988 501629537 /nfs/dbraw/zinc/62/95/37/501629537.db2.gz QSXRZILWSSAUBP-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C(C)C ZINC000588304456 506265421 /nfs/dbraw/zinc/26/54/21/506265421.db2.gz VRRPBOCJLLIVFG-UHFFFAOYSA-N 1 3 368.953 3.144 20 0 FGADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C(C)C ZINC000588304456 506265428 /nfs/dbraw/zinc/26/54/28/506265428.db2.gz VRRPBOCJLLIVFG-UHFFFAOYSA-N 1 3 368.953 3.144 20 0 FGADHO COC(=O)CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459395497 501646142 /nfs/dbraw/zinc/64/61/42/501646142.db2.gz BENGXYTVGPHBJO-HXUWFJFHSA-N 1 3 353.466 3.335 20 0 FGADHO Fc1cccc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000459418631 501650351 /nfs/dbraw/zinc/65/03/51/501650351.db2.gz SNJGOPNMIBTVBD-IBGZPJMESA-N 1 3 354.473 3.448 20 0 FGADHO CCOc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000459426640 501652062 /nfs/dbraw/zinc/65/20/62/501652062.db2.gz MPMMMCLSPPPRIZ-UHFFFAOYSA-N 1 3 371.319 3.375 20 0 FGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1n1cccn1 ZINC000459570854 501678608 /nfs/dbraw/zinc/67/86/08/501678608.db2.gz MWULFAQRDAKDMZ-AQNXPRMDSA-N 1 3 369.513 3.034 20 0 FGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738328 501706614 /nfs/dbraw/zinc/70/66/14/501706614.db2.gz RQKKARYZFHSBRC-CYBMUJFWSA-N 1 3 369.303 3.042 20 0 FGADHO C[N@H+]1CCC[C@H](CCNCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738328 501706616 /nfs/dbraw/zinc/70/66/16/501706616.db2.gz RQKKARYZFHSBRC-CYBMUJFWSA-N 1 3 369.303 3.042 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994261 506268694 /nfs/dbraw/zinc/26/86/94/506268694.db2.gz HPIRWXGBKWDKGL-AWEZNQCLSA-N 1 3 358.267 3.113 20 0 FGADHO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C12CCC2 ZINC000459799074 501715427 /nfs/dbraw/zinc/71/54/27/501715427.db2.gz YHBKGIOJOIOADL-SFTDATJTSA-N 1 3 357.542 3.264 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000467353860 501775832 /nfs/dbraw/zinc/77/58/32/501775832.db2.gz BDOGAUCHSSZOBQ-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467353860 501775836 /nfs/dbraw/zinc/77/58/36/501775836.db2.gz BDOGAUCHSSZOBQ-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467353860 501775840 /nfs/dbraw/zinc/77/58/40/501775840.db2.gz BDOGAUCHSSZOBQ-UARRHKHWSA-N 1 3 364.533 3.399 20 0 FGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482116034 501980345 /nfs/dbraw/zinc/98/03/45/501980345.db2.gz UDPWCWDWSPBRFN-GCJKJVERSA-N 1 3 350.510 3.117 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000474930575 501995585 /nfs/dbraw/zinc/99/55/85/501995585.db2.gz QQHSVGGILRWWMQ-UHFFFAOYSA-N 1 3 370.545 3.211 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000471413646 502018409 /nfs/dbraw/zinc/01/84/09/502018409.db2.gz ZMNREKVECPQCHI-UHFFFAOYSA-N 1 3 357.542 3.063 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416442 502053396 /nfs/dbraw/zinc/05/33/96/502053396.db2.gz ILFDQWPRKAHHRE-QYZOEREBSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416442 502053402 /nfs/dbraw/zinc/05/34/02/502053402.db2.gz ILFDQWPRKAHHRE-QYZOEREBSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430294 502056656 /nfs/dbraw/zinc/05/66/56/502056656.db2.gz SYUSKJOTAWIJSZ-QRVBRYPASA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430294 502056664 /nfs/dbraw/zinc/05/66/64/502056664.db2.gz SYUSKJOTAWIJSZ-QRVBRYPASA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475098628 502058205 /nfs/dbraw/zinc/05/82/05/502058205.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475098628 502058209 /nfs/dbraw/zinc/05/82/09/502058209.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113241 502064216 /nfs/dbraw/zinc/06/42/16/502064216.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475113241 502064220 /nfs/dbraw/zinc/06/42/20/502064220.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000482549606 502107516 /nfs/dbraw/zinc/10/75/16/502107516.db2.gz AMEKFBRLKPZEFH-INIZCTEOSA-N 1 3 356.466 3.249 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560207 502111313 /nfs/dbraw/zinc/11/13/13/502111313.db2.gz ZTBWQZMULPMCNV-IAGOWNOFSA-N 1 3 369.509 3.086 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560207 502111319 /nfs/dbraw/zinc/11/13/19/502111319.db2.gz ZTBWQZMULPMCNV-IAGOWNOFSA-N 1 3 369.509 3.086 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620581 502128110 /nfs/dbraw/zinc/12/81/10/502128110.db2.gz UHVXGGCCMTVVBD-QFBILLFUSA-N 1 3 352.494 3.451 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(CC)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000471835804 502150105 /nfs/dbraw/zinc/15/01/05/502150105.db2.gz QLPNZKXKPKXMJF-NRFANRHFSA-N 1 3 374.573 3.369 20 0 FGADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N1CCCCCC1 ZINC000468716221 502157967 /nfs/dbraw/zinc/15/79/67/502157967.db2.gz UMAWGFZAOGDFTR-IBGZPJMESA-N 1 3 369.553 3.300 20 0 FGADHO C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N1CCCCCC1 ZINC000468716221 502157971 /nfs/dbraw/zinc/15/79/71/502157971.db2.gz UMAWGFZAOGDFTR-IBGZPJMESA-N 1 3 369.553 3.300 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000461714708 502177477 /nfs/dbraw/zinc/17/74/77/502177477.db2.gz JLFKHONCDSYBEW-GOSISDBHSA-N 1 3 360.546 3.119 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727569 502268427 /nfs/dbraw/zinc/26/84/27/502268427.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727569 502268428 /nfs/dbraw/zinc/26/84/28/502268428.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000483113127 502277938 /nfs/dbraw/zinc/27/79/38/502277938.db2.gz ANSMJOAURNTSIV-OAHLLOKOSA-N 1 3 374.356 3.034 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)CC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000486910455 502300486 /nfs/dbraw/zinc/30/04/86/502300486.db2.gz HYKRGKUYFRIWFK-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)CC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910455 502300488 /nfs/dbraw/zinc/30/04/88/502300488.db2.gz HYKRGKUYFRIWFK-RXVVDRJESA-N 1 3 357.542 3.135 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000479789726 502378455 /nfs/dbraw/zinc/37/84/55/502378455.db2.gz SGJAAYHYIPVWIJ-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000472600101 502398275 /nfs/dbraw/zinc/39/82/75/502398275.db2.gz XKQWHIVLAIFJEV-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000472600101 502398280 /nfs/dbraw/zinc/39/82/80/502398280.db2.gz XKQWHIVLAIFJEV-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910798 502424608 /nfs/dbraw/zinc/42/46/08/502424608.db2.gz ONOLGRUPURGMMJ-UYAOXDASSA-N 1 3 372.557 3.434 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CCN(C)[C@@H](C)C3)c2)CC1 ZINC000465929284 502430300 /nfs/dbraw/zinc/43/03/00/502430300.db2.gz DUZMLTSHIIKTIV-RXVVDRJESA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558510 502431665 /nfs/dbraw/zinc/43/16/65/502431665.db2.gz JIGPKKFTJBXAHI-QHAWAJNXSA-N 1 3 357.542 3.086 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000483558510 502431671 /nfs/dbraw/zinc/43/16/71/502431671.db2.gz JIGPKKFTJBXAHI-QHAWAJNXSA-N 1 3 357.542 3.086 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580850 502436130 /nfs/dbraw/zinc/43/61/30/502436130.db2.gz HYJDZQXELXHYAT-KIZRIRGWSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580850 502436136 /nfs/dbraw/zinc/43/61/36/502436136.db2.gz HYJDZQXELXHYAT-KIZRIRGWSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000588711551 506316542 /nfs/dbraw/zinc/31/65/42/506316542.db2.gz QCPXWYDWOGUDOJ-SFTDATJTSA-N 1 3 374.569 3.457 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000582594246 506316604 /nfs/dbraw/zinc/31/66/04/506316604.db2.gz FIFRSQKSICRXIE-INIZCTEOSA-N 1 3 358.530 3.354 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000582594246 506316611 /nfs/dbraw/zinc/31/66/11/506316611.db2.gz FIFRSQKSICRXIE-INIZCTEOSA-N 1 3 358.530 3.354 20 0 FGADHO Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191337 502496538 /nfs/dbraw/zinc/49/65/38/502496538.db2.gz OHFPYUPCYSNKRQ-KBPBESRZSA-N 1 3 365.424 3.036 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCCN1CC)[NH+]1CCCC1 ZINC000476481373 502500824 /nfs/dbraw/zinc/50/08/24/502500824.db2.gz BODOURAOCDYODV-RBUKOAKNSA-N 1 3 352.567 3.061 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462750263 502557149 /nfs/dbraw/zinc/55/71/49/502557149.db2.gz NKLSFKADLOLASZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462750263 502557155 /nfs/dbraw/zinc/55/71/55/502557155.db2.gz NKLSFKADLOLASZ-RTWAWAEBSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000484134148 502579669 /nfs/dbraw/zinc/57/96/69/502579669.db2.gz JUFDAPLKRHKSLA-STQMWFEESA-N 1 3 361.313 3.196 20 0 FGADHO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484138499 502580635 /nfs/dbraw/zinc/58/06/35/502580635.db2.gz TUQHLISOTYIFOM-QGZVFWFLSA-N 1 3 354.922 3.482 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000484284819 502614726 /nfs/dbraw/zinc/61/47/26/502614726.db2.gz PPMQWMGVABXGMA-HBFSDRIKSA-N 1 3 360.546 3.099 20 0 FGADHO CN(CCc1cc(Cl)ccc1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000488124841 502635123 /nfs/dbraw/zinc/63/51/23/502635123.db2.gz LAWUKTKKLSJEPT-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO CN(CCc1cc(Cl)ccc1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000488124841 502635128 /nfs/dbraw/zinc/63/51/28/502635128.db2.gz LAWUKTKKLSJEPT-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725582 502653716 /nfs/dbraw/zinc/65/37/16/502653716.db2.gz YPNZTPULAKUQPO-CTNGQTDRSA-N 1 3 357.542 3.369 20 0 FGADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000480725582 502653720 /nfs/dbraw/zinc/65/37/20/502653720.db2.gz YPNZTPULAKUQPO-CTNGQTDRSA-N 1 3 357.542 3.369 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654914 /nfs/dbraw/zinc/65/49/14/502654914.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654920 /nfs/dbraw/zinc/65/49/20/502654920.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613979 502683211 /nfs/dbraw/zinc/68/32/11/502683211.db2.gz CEMQYOAQUMDBAQ-XMTFNYHQSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613979 502683214 /nfs/dbraw/zinc/68/32/14/502683214.db2.gz CEMQYOAQUMDBAQ-XMTFNYHQSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000582620054 506328551 /nfs/dbraw/zinc/32/85/51/506328551.db2.gz YZGINQQOHMKFEV-QGZVFWFLSA-N 1 3 358.530 3.396 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000582620054 506328555 /nfs/dbraw/zinc/32/85/55/506328555.db2.gz YZGINQQOHMKFEV-QGZVFWFLSA-N 1 3 358.530 3.396 20 0 FGADHO CC[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000480920724 502705564 /nfs/dbraw/zinc/70/55/64/502705564.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 1 3 357.542 3.204 20 0 FGADHO CC[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000480920724 502705568 /nfs/dbraw/zinc/70/55/68/502705568.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 1 3 357.542 3.204 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418708 502709582 /nfs/dbraw/zinc/70/95/82/502709582.db2.gz FVMZDDZFEZYXMT-ZWKOTPCHSA-N 1 3 353.620 3.447 20 0 FGADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258914 502718620 /nfs/dbraw/zinc/71/86/20/502718620.db2.gz UHHDCDRTKQQGIO-VYDXJSESSA-N 1 3 374.447 3.056 20 0 FGADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258914 502718625 /nfs/dbraw/zinc/71/86/25/502718625.db2.gz UHHDCDRTKQQGIO-VYDXJSESSA-N 1 3 374.447 3.056 20 0 FGADHO CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000488470838 502724597 /nfs/dbraw/zinc/72/45/97/502724597.db2.gz WPJBNPQAOBERRS-PCCBWWKXSA-N 1 3 369.553 3.183 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732671 /nfs/dbraw/zinc/73/26/71/502732671.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732678 /nfs/dbraw/zinc/73/26/78/502732678.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000481033793 502735733 /nfs/dbraw/zinc/73/57/33/502735733.db2.gz HVDXLFVPOVCXEY-WOZUAGRISA-N 1 3 367.622 3.470 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740376 /nfs/dbraw/zinc/74/03/76/502740376.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740382 /nfs/dbraw/zinc/74/03/82/502740382.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 1 3 372.557 3.021 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000470366872 502751913 /nfs/dbraw/zinc/75/19/13/502751913.db2.gz INOLZHJTOHIILF-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000481186003 502777230 /nfs/dbraw/zinc/77/72/30/502777230.db2.gz HCYZZDJVXRPCJF-ZWCUEREDSA-N 1 3 371.569 3.490 20 0 FGADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474009943 502778157 /nfs/dbraw/zinc/77/81/57/502778157.db2.gz MPFPNZHFLJNAFV-QWFCFKBJSA-N 1 3 360.546 3.194 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000470501150 502796941 /nfs/dbraw/zinc/79/69/41/502796941.db2.gz UDXKCOOTGPBVET-UHFFFAOYSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)CC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513040043 502836333 /nfs/dbraw/zinc/83/63/33/502836333.db2.gz DVBIMAGKALKTBM-NQIIRXRSSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513040043 502836336 /nfs/dbraw/zinc/83/63/36/502836336.db2.gz DVBIMAGKALKTBM-NQIIRXRSSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769826 502859418 /nfs/dbraw/zinc/85/94/18/502859418.db2.gz SLJAOOHWJGQXOB-QZTJIDSGSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023694 502914411 /nfs/dbraw/zinc/91/44/11/502914411.db2.gz UNBIUPMITFQCBF-GHTZIAJQSA-N 1 3 372.557 3.267 20 0 FGADHO C[C@@H](C(=O)NCC1CCCCC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027683 502916198 /nfs/dbraw/zinc/91/61/98/502916198.db2.gz KYIIUIBTDOWHRO-SFHVURJKSA-N 1 3 372.557 3.315 20 0 FGADHO COC(=O)c1ccc([C@H](C)[N@H+](C)CC2CCN(c3ccncc3)CC2)o1 ZINC000501045741 502920558 /nfs/dbraw/zinc/92/05/58/502920558.db2.gz KBWCCCIKFCHWMX-HNNXBMFYSA-N 1 3 357.454 3.371 20 0 FGADHO COC(=O)c1ccc([C@H](C)[N@@H+](C)CC2CCN(c3ccncc3)CC2)o1 ZINC000501045741 502920562 /nfs/dbraw/zinc/92/05/62/502920562.db2.gz KBWCCCIKFCHWMX-HNNXBMFYSA-N 1 3 357.454 3.371 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000501045898 502920934 /nfs/dbraw/zinc/92/09/34/502920934.db2.gz OFXPEQHMUJEIJR-WOJBJXKFSA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000501045898 502920938 /nfs/dbraw/zinc/92/09/38/502920938.db2.gz OFXPEQHMUJEIJR-WOJBJXKFSA-N 1 3 360.546 3.161 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054759 502922939 /nfs/dbraw/zinc/92/29/39/502922939.db2.gz VBGWNIADWICTEV-LVCYWYKZSA-N 1 3 372.557 3.313 20 0 FGADHO COc1ccc(OCC[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501055434 502923682 /nfs/dbraw/zinc/92/36/82/502923682.db2.gz SKVFIYJHYAZIFG-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO COc1ccc(OCC[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000501055434 502923687 /nfs/dbraw/zinc/92/36/87/502923687.db2.gz SKVFIYJHYAZIFG-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586531 502942008 /nfs/dbraw/zinc/94/20/08/502942008.db2.gz HIWVRARCKIFJFS-SJORKVTESA-N 1 3 364.534 3.130 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586531 502942010 /nfs/dbraw/zinc/94/20/10/502942010.db2.gz HIWVRARCKIFJFS-SJORKVTESA-N 1 3 364.534 3.130 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccsc1 ZINC000501154015 502950013 /nfs/dbraw/zinc/95/00/13/502950013.db2.gz LVKNPRPVHVGZNY-KRWDZBQOSA-N 1 3 366.575 3.305 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 ZINC000513613919 502980675 /nfs/dbraw/zinc/98/06/75/502980675.db2.gz UXXYXFZUJVTATP-YADHBBJMSA-N 1 3 365.521 3.356 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C[C@@H](C)O1 ZINC000513691998 503001719 /nfs/dbraw/zinc/00/17/19/503001719.db2.gz XJAPTCOEEOHPTK-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C[C@@H](C)O1 ZINC000513691998 503001724 /nfs/dbraw/zinc/00/17/24/503001724.db2.gz XJAPTCOEEOHPTK-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[C@@H](C)O1 ZINC000513691998 503001729 /nfs/dbraw/zinc/00/17/29/503001729.db2.gz XJAPTCOEEOHPTK-SRCVIQECSA-N 1 3 371.569 3.258 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000489632199 503002056 /nfs/dbraw/zinc/00/20/56/503002056.db2.gz GILHMELCEWYPKT-QFIPXVFZSA-N 1 3 368.521 3.270 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000489632199 503002059 /nfs/dbraw/zinc/00/20/59/503002059.db2.gz GILHMELCEWYPKT-QFIPXVFZSA-N 1 3 368.521 3.270 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547174 503034806 /nfs/dbraw/zinc/03/48/06/503034806.db2.gz SIAZZKRZAAWTIZ-IBGZPJMESA-N 1 3 372.557 3.346 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000501550991 503035280 /nfs/dbraw/zinc/03/52/80/503035280.db2.gz MEBHAPUNWUHKNE-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000513891555 503043236 /nfs/dbraw/zinc/04/32/36/503043236.db2.gz ITOIZZQYKRYKHR-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000513891555 503043240 /nfs/dbraw/zinc/04/32/40/503043240.db2.gz ITOIZZQYKRYKHR-SVFBPWRDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@]1(c2ccccc2)CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097995 503048736 /nfs/dbraw/zinc/04/87/36/503048736.db2.gz HYJWIUNRLDXHIN-QHCPKHFHSA-N 1 3 369.553 3.173 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000514015395 503068757 /nfs/dbraw/zinc/06/87/57/503068757.db2.gz KFNYEKJTWCLFKP-OAQYLSRUSA-N 1 3 372.557 3.307 20 0 FGADHO [NH3+]CCCN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000490010857 503089550 /nfs/dbraw/zinc/08/95/50/503089550.db2.gz DCZSMHCCTLVAOQ-UHFFFAOYSA-N 1 3 370.497 3.189 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326652 503093003 /nfs/dbraw/zinc/09/30/03/503093003.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326652 503093006 /nfs/dbraw/zinc/09/30/06/503093006.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501846881 503093392 /nfs/dbraw/zinc/09/33/92/503093392.db2.gz AZHPHKYHROTULX-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501846881 503093397 /nfs/dbraw/zinc/09/33/97/503093397.db2.gz AZHPHKYHROTULX-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514221439 503117026 /nfs/dbraw/zinc/11/70/26/503117026.db2.gz HTZHGIOVNRYSNF-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514221439 503117027 /nfs/dbraw/zinc/11/70/27/503117027.db2.gz HTZHGIOVNRYSNF-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000490195753 503128027 /nfs/dbraw/zinc/12/80/27/503128027.db2.gz CXSKXWNPZSCZTQ-YLJYHZDGSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000514793147 503194996 /nfs/dbraw/zinc/19/49/96/503194996.db2.gz TXOTYVHJPIXQSF-GOSISDBHSA-N 1 3 361.555 3.261 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CN(C)C)Cc1ccccc1 ZINC000498555921 503209400 /nfs/dbraw/zinc/20/94/00/503209400.db2.gz CGGYODDPAJPHKI-OAQYLSRUSA-N 1 3 367.537 3.431 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000490988242 503256424 /nfs/dbraw/zinc/25/64/24/503256424.db2.gz LIBDDYRVPLBOEG-FQEVSTJZSA-N 1 3 360.546 3.163 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000490988242 503256429 /nfs/dbraw/zinc/25/64/29/503256429.db2.gz LIBDDYRVPLBOEG-FQEVSTJZSA-N 1 3 360.546 3.163 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000490999570 503257857 /nfs/dbraw/zinc/25/78/57/503257857.db2.gz KUIXVLAGYQSYRK-HXUWFJFHSA-N 1 3 360.546 3.072 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000490999570 503257858 /nfs/dbraw/zinc/25/78/58/503257858.db2.gz KUIXVLAGYQSYRK-HXUWFJFHSA-N 1 3 360.546 3.072 20 0 FGADHO Fc1ccc(C(CN2CCN([C@H]3CC[NH2+]C3)CC2)c2ccc(F)cc2)cc1 ZINC000491114267 503275065 /nfs/dbraw/zinc/27/50/65/503275065.db2.gz VNGQDXJOZDAIRS-NRFANRHFSA-N 1 3 371.475 3.076 20 0 FGADHO COC(=O)c1ccc(F)c(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000511215644 503281492 /nfs/dbraw/zinc/28/14/92/503281492.db2.gz IPIFUFIXFJZARA-UHFFFAOYSA-N 1 3 371.456 3.356 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000507415172 503295899 /nfs/dbraw/zinc/29/58/99/503295899.db2.gz UCYRSCISSPFLMV-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000507415172 503295905 /nfs/dbraw/zinc/29/59/05/503295905.db2.gz UCYRSCISSPFLMV-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000507464382 503303151 /nfs/dbraw/zinc/30/31/51/503303151.db2.gz XJSUNZIUIIRRQA-PCCBWWKXSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507464382 503303155 /nfs/dbraw/zinc/30/31/55/503303155.db2.gz XJSUNZIUIIRRQA-PCCBWWKXSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507464382 503303158 /nfs/dbraw/zinc/30/31/58/503303158.db2.gz XJSUNZIUIIRRQA-PCCBWWKXSA-N 1 3 350.510 3.302 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089926 503428771 /nfs/dbraw/zinc/42/87/71/503428771.db2.gz QMESFRUXLCPLIE-LJQANCHMSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089926 503428773 /nfs/dbraw/zinc/42/87/73/503428773.db2.gz QMESFRUXLCPLIE-LJQANCHMSA-N 1 3 370.541 3.273 20 0 FGADHO CC[C@H]1C[C@@H](C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575873 503439818 /nfs/dbraw/zinc/43/98/18/503439818.db2.gz LAOUONKRKHHKGO-GOTSBHOMSA-N 1 3 373.585 3.379 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N(C)CCN2CCCC2)CCCC1)c1ccccc1 ZINC000503733805 503466399 /nfs/dbraw/zinc/46/63/99/503466399.db2.gz FEORWVVKIVQVKE-LJQANCHMSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCC[C@](CNC(=O)NCc2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000516560586 503536259 /nfs/dbraw/zinc/53/62/59/503536259.db2.gz TXZHOMCPMNZCJH-UWJYYQICSA-N 1 3 360.546 3.058 20 0 FGADHO CCN1CCN(c2ccccc2CNC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000494580894 503568384 /nfs/dbraw/zinc/56/83/84/503568384.db2.gz SMYDPPOEAGSPJL-UHFFFAOYSA-N 1 3 358.574 3.227 20 0 FGADHO CCCNC(=O)[C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000512536474 503579037 /nfs/dbraw/zinc/57/90/37/503579037.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 1 3 359.558 3.383 20 0 FGADHO CCCNC(=O)[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000512536474 503579040 /nfs/dbraw/zinc/57/90/40/503579040.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 1 3 359.558 3.383 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)N(C)C ZINC000508902531 503595249 /nfs/dbraw/zinc/59/52/49/503595249.db2.gz WQTRIEKFCQTLBL-HDAAZOAOSA-N 1 3 372.557 3.254 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613475 503595306 /nfs/dbraw/zinc/59/53/06/503595306.db2.gz RUOQMTKDVMHWNU-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613475 503595308 /nfs/dbraw/zinc/59/53/08/503595308.db2.gz RUOQMTKDVMHWNU-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613475 503595311 /nfs/dbraw/zinc/59/53/11/503595311.db2.gz RUOQMTKDVMHWNU-NEWJYFPISA-N 1 3 364.533 3.480 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000508903129 503595433 /nfs/dbraw/zinc/59/54/33/503595433.db2.gz FHMKEGSXVSPATK-SXLOBPIMSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000508903129 503595438 /nfs/dbraw/zinc/59/54/38/503595438.db2.gz FHMKEGSXVSPATK-SXLOBPIMSA-N 1 3 360.546 3.194 20 0 FGADHO FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512637198 503600447 /nfs/dbraw/zinc/60/04/47/503600447.db2.gz SMWWXZIEEAUFAU-FGTMMUONSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637198 503600450 /nfs/dbraw/zinc/60/04/50/503600450.db2.gz SMWWXZIEEAUFAU-FGTMMUONSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637198 503600455 /nfs/dbraw/zinc/60/04/55/503600455.db2.gz SMWWXZIEEAUFAU-FGTMMUONSA-N 1 3 356.432 3.456 20 0 FGADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000512640995 503601489 /nfs/dbraw/zinc/60/14/89/503601489.db2.gz CEDDINIBMKUAIA-WOZUAGRISA-N 1 3 350.510 3.157 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673585 503609236 /nfs/dbraw/zinc/60/92/36/503609236.db2.gz RHLUEXBYSPLZFO-DGQTTZFYSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1ccccc1[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCCC1 ZINC000495069641 503657551 /nfs/dbraw/zinc/65/75/51/503657551.db2.gz MOLOIFDHQQVXHP-QHCPKHFHSA-N 1 3 373.585 3.206 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2CC(C)C)[C@@H](C)C1 ZINC000540147203 503688910 /nfs/dbraw/zinc/68/89/10/503688910.db2.gz QNDKPEBAKCIPDC-HBMCJLEFSA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024415 503780084 /nfs/dbraw/zinc/78/00/84/503780084.db2.gz KPXUGSMNHTVXSH-QZTJIDSGSA-N 1 3 372.509 3.071 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537085518 503796863 /nfs/dbraw/zinc/79/68/63/503796863.db2.gz FDRCCLJCVZFTKU-KRWDZBQOSA-N 1 3 352.482 3.470 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1)N(C)C ZINC000527492140 503809791 /nfs/dbraw/zinc/80/97/91/503809791.db2.gz JXVYZCYXNFHMBP-UWJYYQICSA-N 1 3 354.498 3.024 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000543655717 503841757 /nfs/dbraw/zinc/84/17/57/503841757.db2.gz GJCKCAFYIAKHBF-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000540702166 503861162 /nfs/dbraw/zinc/86/11/62/503861162.db2.gz SBVFCSVSZOOPEM-QGZVFWFLSA-N 1 3 364.559 3.012 20 0 FGADHO COc1cccc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213112 503879561 /nfs/dbraw/zinc/87/95/61/503879561.db2.gz VCMQRKMQZIRMKB-BVSLBCMMSA-N 1 3 368.477 3.228 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000527659958 503881830 /nfs/dbraw/zinc/88/18/30/503881830.db2.gz NKVRPRSAKUROOD-GOTSBHOMSA-N 1 3 373.585 3.083 20 0 FGADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527673458 503888704 /nfs/dbraw/zinc/88/87/04/503888704.db2.gz DBIZVXUMDUUZQB-UHFFFAOYSA-N 1 3 360.420 3.039 20 0 FGADHO c1nc(-c2ccccc2)sc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241736 503890317 /nfs/dbraw/zinc/89/03/17/503890317.db2.gz QGIOTNOBHLVDII-SFHVURJKSA-N 1 3 357.523 3.401 20 0 FGADHO CCCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248982 503894643 /nfs/dbraw/zinc/89/46/43/503894643.db2.gz RRRQIWFIPXMNCH-IBGZPJMESA-N 1 3 362.514 3.075 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000537510738 503938670 /nfs/dbraw/zinc/93/86/70/503938670.db2.gz WUJLXYUMWASJHR-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO C[C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000518438961 503984936 /nfs/dbraw/zinc/98/49/36/503984936.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000518438961 503984943 /nfs/dbraw/zinc/98/49/43/503984943.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 1 3 360.546 3.069 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000537647420 503990681 /nfs/dbraw/zinc/99/06/81/503990681.db2.gz LAWBKTUKQZZPBU-OAQYLSRUSA-N 1 3 372.601 3.382 20 0 FGADHO C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC(C)(C)C1 ZINC000544116282 504012507 /nfs/dbraw/zinc/01/25/07/504012507.db2.gz CTLIERGDGKZHLS-SFHVURJKSA-N 1 3 357.542 3.267 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)CNC2 ZINC000518936796 504098647 /nfs/dbraw/zinc/09/86/47/504098647.db2.gz BFFLVUOHHKKDST-UHFFFAOYSA-N 1 3 350.466 3.207 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963507 504103860 /nfs/dbraw/zinc/10/38/60/504103860.db2.gz AQBOOJGMZNMJCW-FYYLOGMGSA-N 1 3 368.521 3.293 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000518963507 504103865 /nfs/dbraw/zinc/10/38/65/504103865.db2.gz AQBOOJGMZNMJCW-FYYLOGMGSA-N 1 3 368.521 3.293 20 0 FGADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544362398 504104165 /nfs/dbraw/zinc/10/41/65/504104165.db2.gz GWCBQALPHVOEOH-LJQANCHMSA-N 1 3 353.466 3.190 20 0 FGADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000534346977 504118201 /nfs/dbraw/zinc/11/82/01/504118201.db2.gz KQEVNIOPQTZQDY-UHFFFAOYSA-N 1 3 350.503 3.265 20 0 FGADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000534346977 504118209 /nfs/dbraw/zinc/11/82/09/504118209.db2.gz KQEVNIOPQTZQDY-UHFFFAOYSA-N 1 3 350.503 3.265 20 0 FGADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904941 504125041 /nfs/dbraw/zinc/12/50/41/504125041.db2.gz SROVAUUZNOTIST-DNVCBOLYSA-N 1 3 354.922 3.195 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507889 504130534 /nfs/dbraw/zinc/13/05/34/504130534.db2.gz DJWPEVCTUVGVFM-VOFPXKNKSA-N 1 3 358.526 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507889 504130537 /nfs/dbraw/zinc/13/05/37/504130537.db2.gz DJWPEVCTUVGVFM-VOFPXKNKSA-N 1 3 358.526 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507887 504130774 /nfs/dbraw/zinc/13/07/74/504130774.db2.gz DJWPEVCTUVGVFM-KHSAKVFQSA-N 1 3 358.526 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507887 504130777 /nfs/dbraw/zinc/13/07/77/504130777.db2.gz DJWPEVCTUVGVFM-KHSAKVFQSA-N 1 3 358.526 3.213 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409053 504134075 /nfs/dbraw/zinc/13/40/75/504134075.db2.gz LBYUHHQSUXSPOS-NRFANRHFSA-N 1 3 369.553 3.475 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N2CCCC2)cc1 ZINC000519209684 504164615 /nfs/dbraw/zinc/16/46/15/504164615.db2.gz YDUOQHARCRKYSV-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N2CCCC2)cc1 ZINC000519209684 504164620 /nfs/dbraw/zinc/16/46/20/504164620.db2.gz YDUOQHARCRKYSV-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000519225145 504169457 /nfs/dbraw/zinc/16/94/57/504169457.db2.gz WDDUVMSEKFSQDU-QGZVFWFLSA-N 1 3 363.521 3.226 20 0 FGADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545742 504171512 /nfs/dbraw/zinc/17/15/12/504171512.db2.gz PDAXCWHQAFXALL-QFIPXVFZSA-N 1 3 370.516 3.173 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000531142569 504204223 /nfs/dbraw/zinc/20/42/23/504204223.db2.gz PQYQNOOSNCBQPT-OAHLLOKOSA-N 1 3 374.481 3.438 20 0 FGADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000538394333 504232801 /nfs/dbraw/zinc/23/28/01/504232801.db2.gz WIALFQYIAZXVCG-HNNXBMFYSA-N 1 3 359.283 3.086 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357241 504277073 /nfs/dbraw/zinc/27/70/73/504277073.db2.gz GVDAHCTYHVGBQM-GJZGRUSLSA-N 1 3 372.340 3.049 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325230 /nfs/dbraw/zinc/32/52/30/504325230.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325235 /nfs/dbraw/zinc/32/52/35/504325235.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21)C1CCN(C)CC1 ZINC000538792584 504372914 /nfs/dbraw/zinc/37/29/14/504372914.db2.gz ZPKOXRAMXWCHNQ-UGKGYDQZSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21)C1CCN(C)CC1 ZINC000538792584 504372919 /nfs/dbraw/zinc/37/29/19/504372919.db2.gz ZPKOXRAMXWCHNQ-UGKGYDQZSA-N 1 3 357.542 3.218 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804755 504430350 /nfs/dbraw/zinc/43/03/50/504430350.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804755 504430354 /nfs/dbraw/zinc/43/03/54/504430354.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1c1ccccc1 ZINC000535426965 504433226 /nfs/dbraw/zinc/43/32/26/504433226.db2.gz HMRLSSATMACOPL-FHWLQOOXSA-N 1 3 360.546 3.097 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408031 504562102 /nfs/dbraw/zinc/56/21/02/504562102.db2.gz RPFQJSPGMZMWBI-QGZVFWFLSA-N 1 3 362.543 3.081 20 0 FGADHO CCc1oc2ccccc2c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000539825206 504706419 /nfs/dbraw/zinc/70/64/19/504706419.db2.gz NTPRGUSKPRLQCB-FXAWDEMLSA-N 1 3 355.526 3.453 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529535592 504720036 /nfs/dbraw/zinc/72/00/36/504720036.db2.gz YNESJEQGSIREPI-INIZCTEOSA-N 1 3 351.485 3.348 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000536551230 504759614 /nfs/dbraw/zinc/75/96/14/504759614.db2.gz DQMRIZYTGRMVSE-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565225822 504830498 /nfs/dbraw/zinc/83/04/98/504830498.db2.gz GNRLOZSPAKLFKP-WMZOPIPTSA-N 1 3 366.347 3.273 20 0 FGADHO CC(C)N1CCCC[C@@H]1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000559794578 504929087 /nfs/dbraw/zinc/92/90/87/504929087.db2.gz ZBHHDVHFMMMWGZ-JOCHJYFZSA-N 1 3 358.574 3.283 20 0 FGADHO CC(C)N1CCCC[C@@H]1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000559794578 504929090 /nfs/dbraw/zinc/92/90/90/504929090.db2.gz ZBHHDVHFMMMWGZ-JOCHJYFZSA-N 1 3 358.574 3.283 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562751899 504932866 /nfs/dbraw/zinc/93/28/66/504932866.db2.gz UFUMNXHGWAFGGZ-UGKGYDQZSA-N 1 3 368.525 3.207 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000562751392 504932876 /nfs/dbraw/zinc/93/28/76/504932876.db2.gz QTTOMGDFEZTUGJ-CTNGQTDRSA-N 1 3 354.498 3.103 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000553708629 504988517 /nfs/dbraw/zinc/98/85/17/504988517.db2.gz XLDFRHPHDBLCFJ-CEWLAPEOSA-N 1 3 372.557 3.338 20 0 FGADHO Brc1ccc2ncc(CNCCCCC[NH+]3CCCC3)n2c1 ZINC000550266028 505007651 /nfs/dbraw/zinc/00/76/51/505007651.db2.gz LXPZYHKEUXCEHP-UHFFFAOYSA-N 1 3 365.319 3.453 20 0 FGADHO CC1(C)CC(NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000550328038 505024167 /nfs/dbraw/zinc/02/41/67/505024167.db2.gz KJPYHWJPVWYAKB-ICSRJNTNSA-N 1 3 360.542 3.340 20 0 FGADHO CC1(C)CC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC(C)(C)N1 ZINC000550328038 505024171 /nfs/dbraw/zinc/02/41/71/505024171.db2.gz KJPYHWJPVWYAKB-ICSRJNTNSA-N 1 3 360.542 3.340 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000563082601 505041746 /nfs/dbraw/zinc/04/17/46/505041746.db2.gz HBHNEYMCBZMHCA-BBRMVZONSA-N 1 3 353.894 3.127 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000560340251 505050814 /nfs/dbraw/zinc/05/08/14/505050814.db2.gz FKFBWKQYOIYVPH-OAHLLOKOSA-N 1 3 373.463 3.151 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1Cl ZINC000566063325 505068967 /nfs/dbraw/zinc/06/89/67/505068967.db2.gz OMXQMGSGRJTWED-QGZVFWFLSA-N 1 3 352.906 3.076 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000557338854 505111363 /nfs/dbraw/zinc/11/13/63/505111363.db2.gz GBXFSFYQBPJCEW-TZIWHRDSSA-N 1 3 355.482 3.368 20 0 FGADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528237 505115652 /nfs/dbraw/zinc/11/56/52/505115652.db2.gz OGWGOBDBGJONRX-CIAFKFPVSA-N 1 3 359.558 3.158 20 0 FGADHO CC[NH+](CC)CCOC1CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000554239011 505123384 /nfs/dbraw/zinc/12/33/84/505123384.db2.gz ZGXGNZFQOUALJL-IBGZPJMESA-N 1 3 368.949 3.066 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252188 505125380 /nfs/dbraw/zinc/12/53/80/505125380.db2.gz GXNGDLMZCCGBQT-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252188 505125382 /nfs/dbraw/zinc/12/53/82/505125382.db2.gz GXNGDLMZCCGBQT-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO c1cc2c(c([C@H]3CCCN3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351796 505150258 /nfs/dbraw/zinc/15/02/58/505150258.db2.gz DKRXFKKOYAAFAG-HXUWFJFHSA-N 1 3 350.462 3.441 20 0 FGADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000554449842 505176432 /nfs/dbraw/zinc/17/64/32/505176432.db2.gz PVBUOHLBPOEHJW-WMQCIHAUSA-N 1 3 368.525 3.280 20 0 FGADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641497 505190746 /nfs/dbraw/zinc/19/07/46/505190746.db2.gz TYUZBFXQRLALAN-RBBKRZOGSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641497 505190749 /nfs/dbraw/zinc/19/07/49/505190749.db2.gz TYUZBFXQRLALAN-RBBKRZOGSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)CCN2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242501 /nfs/dbraw/zinc/24/25/01/505242501.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)CCN2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242506 /nfs/dbraw/zinc/24/25/06/505242506.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN([C@H](C)CC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242510 /nfs/dbraw/zinc/24/25/10/505242510.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 1 3 368.606 3.226 20 0 FGADHO CC(C)[C@]1(CO)CCCN([C@H](C)CC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242515 /nfs/dbraw/zinc/24/25/15/505242515.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 1 3 368.606 3.226 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000558058196 505297878 /nfs/dbraw/zinc/29/78/78/505297878.db2.gz ZNSULUONXJSZSZ-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282980 505304678 /nfs/dbraw/zinc/30/46/78/505304678.db2.gz LFDPLERPCYMFDW-OFNKIYASSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282980 505304681 /nfs/dbraw/zinc/30/46/81/505304681.db2.gz LFDPLERPCYMFDW-OFNKIYASSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000558349314 505365454 /nfs/dbraw/zinc/36/54/54/505365454.db2.gz UQNFXPDPAGMRPB-CRAIPNDOSA-N 1 3 360.546 3.286 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C)s3)CC2)CC1 ZINC000567122026 505369687 /nfs/dbraw/zinc/36/96/87/505369687.db2.gz YWSWYGJDBQLPDY-UHFFFAOYSA-N 1 3 363.571 3.211 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376991 505370622 /nfs/dbraw/zinc/37/06/22/505370622.db2.gz HADYWYSWFOILLD-APWZRJJASA-N 1 3 372.513 3.270 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552025917 505374011 /nfs/dbraw/zinc/37/40/11/505374011.db2.gz QCDCMRNSYTVJHL-LJQANCHMSA-N 1 3 373.928 3.477 20 0 FGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCOC2(CCOCC2)CC1 ZINC000567219437 505398747 /nfs/dbraw/zinc/39/87/47/505398747.db2.gz SHNHEVOBQHTISV-UHFFFAOYSA-N 1 3 358.526 3.444 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000564548997 505449610 /nfs/dbraw/zinc/44/96/10/505449610.db2.gz LZBQGTDFXMTWAA-SXLOBPIMSA-N 1 3 358.530 3.043 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000564548890 505449677 /nfs/dbraw/zinc/44/96/77/505449677.db2.gz XWCMMTIQSZOSOZ-UHFFFAOYSA-N 1 3 352.482 3.322 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000564548890 505449680 /nfs/dbraw/zinc/44/96/80/505449680.db2.gz XWCMMTIQSZOSOZ-UHFFFAOYSA-N 1 3 352.482 3.322 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000555539557 505451153 /nfs/dbraw/zinc/45/11/53/505451153.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000555539557 505451156 /nfs/dbraw/zinc/45/11/56/505451156.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 1 3 357.542 3.420 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000558912988 505528755 /nfs/dbraw/zinc/52/87/55/505528755.db2.gz JTCHONRZHQHCGO-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000567725670 505549810 /nfs/dbraw/zinc/54/98/10/505549810.db2.gz DXJRARZMLWXTPP-PZJWPPBQSA-N 1 3 360.542 3.294 20 0 FGADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167796 506450505 /nfs/dbraw/zinc/45/05/05/506450505.db2.gz SZLSCSCIUCCVLW-SFTDATJTSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)NCC1([NH3+])CCCC1 ZINC000596648965 506510304 /nfs/dbraw/zinc/51/03/04/506510304.db2.gz VACFXYJHLOXAAJ-ZDUSSCGKSA-N 1 3 372.294 3.473 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000603610638 506577134 /nfs/dbraw/zinc/57/71/34/506577134.db2.gz XINRGAGTPFCVAE-MJGOQNOKSA-N 1 3 360.546 3.288 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604115724 506720126 /nfs/dbraw/zinc/72/01/26/506720126.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604115724 506720127 /nfs/dbraw/zinc/72/01/27/506720127.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604203715 506750583 /nfs/dbraw/zinc/75/05/83/506750583.db2.gz BQWBGQOHJRBOKA-RTWAWAEBSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089722 506934459 /nfs/dbraw/zinc/93/44/59/506934459.db2.gz SDMNEUKVKZIFBG-UXHICEINSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)Cc1ccccc1 ZINC000604784936 506943042 /nfs/dbraw/zinc/94/30/42/506943042.db2.gz HTRIHBKJLMCYFF-IEBWSBKVSA-N 1 3 362.562 3.173 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)Cc1ccccc1 ZINC000604784939 506943126 /nfs/dbraw/zinc/94/31/26/506943126.db2.gz HTRIHBKJLMCYFF-MJGOQNOKSA-N 1 3 362.562 3.173 20 0 FGADHO c1nnc([C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000584093994 507147781 /nfs/dbraw/zinc/14/77/81/507147781.db2.gz MTPDVDIQSPTPRZ-HXUWFJFHSA-N 1 3 353.514 3.323 20 0 FGADHO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000584161086 507187697 /nfs/dbraw/zinc/18/76/97/507187697.db2.gz UZBWISOXEATHFK-LJQANCHMSA-N 1 3 364.493 3.118 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346389 507341321 /nfs/dbraw/zinc/34/13/21/507341321.db2.gz DUHAZQNJPOGUPX-FQEVSTJZSA-N 1 3 364.578 3.158 20 0 FGADHO COC(=O)c1csc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595047148 507368386 /nfs/dbraw/zinc/36/83/86/507368386.db2.gz AOSJIXIQDHZAKH-AWEZNQCLSA-N 1 3 366.527 3.076 20 0 FGADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692344 507484038 /nfs/dbraw/zinc/48/40/38/507484038.db2.gz QAHFPHYLRRLVCQ-ROUUACIJSA-N 1 3 372.557 3.242 20 0 FGADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCCC2)n2c1CCCC2 ZINC000598634791 507526451 /nfs/dbraw/zinc/52/64/51/507526451.db2.gz SNJJKDJXDBABGW-UHFFFAOYSA-N 1 3 361.530 3.357 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000595571743 507567757 /nfs/dbraw/zinc/56/77/57/507567757.db2.gz BWLOOTFQRRYBLT-WOJBJXKFSA-N 1 3 357.542 3.292 20 0 FGADHO CCCCN(C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602441495 507713043 /nfs/dbraw/zinc/71/30/43/507713043.db2.gz XSTIQSFRLKXCSJ-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](Nc3nc(C(F)F)nc4ccccc43)C2)CC1 ZINC000602234535 521225717 /nfs/dbraw/zinc/22/57/17/521225717.db2.gz ZBPMNDMSILMQQD-ZDUSSCGKSA-N 1 3 361.440 3.148 20 0 FGADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000644842986 568181304 /nfs/dbraw/zinc/18/13/04/568181304.db2.gz HHFHTKHRYQKBFM-OAQYLSRUSA-N 1 3 358.526 3.410 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945774 608501718 /nfs/dbraw/zinc/50/17/18/608501718.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945774 608501719 /nfs/dbraw/zinc/50/17/19/608501719.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945774 608501720 /nfs/dbraw/zinc/50/17/20/608501720.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945774 608501721 /nfs/dbraw/zinc/50/17/21/608501721.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 1 3 368.529 3.346 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000123404209 700704443 /nfs/dbraw/zinc/70/44/43/700704443.db2.gz BHGFYWPPJCFLOA-QZTJIDSGSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000123404209 700704444 /nfs/dbraw/zinc/70/44/44/700704444.db2.gz BHGFYWPPJCFLOA-QZTJIDSGSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192277 700772193 /nfs/dbraw/zinc/77/21/93/700772193.db2.gz SBRBOWCGLSKDOW-HIFRSBDPSA-N 1 3 371.497 3.239 20 0 FGADHO C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180344636 705735986 /nfs/dbraw/zinc/73/59/86/705735986.db2.gz GEHJFWCBNPPORL-GVDBMIGSSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180344636 705735990 /nfs/dbraw/zinc/73/59/90/705735990.db2.gz GEHJFWCBNPPORL-GVDBMIGSSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000180344636 705735994 /nfs/dbraw/zinc/73/59/94/705735994.db2.gz GEHJFWCBNPPORL-GVDBMIGSSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185650 713548524 /nfs/dbraw/zinc/54/85/24/713548524.db2.gz WSNGCTCCBWLHNR-XLIONFOSSA-N 1 3 353.551 3.488 20 0 FGADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000236679174 713582451 /nfs/dbraw/zinc/58/24/51/713582451.db2.gz JNZZCJWEAKBMSL-INIZCTEOSA-N 1 3 351.560 3.402 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993972 713645136 /nfs/dbraw/zinc/64/51/36/713645136.db2.gz JTHSWZXYSMUMPX-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993972 713645138 /nfs/dbraw/zinc/64/51/38/713645138.db2.gz JTHSWZXYSMUMPX-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000301467116 713782053 /nfs/dbraw/zinc/78/20/53/713782053.db2.gz ZQKJMRMECJNNTK-SQNIBIBYSA-N 1 3 353.551 3.391 20 0 FGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000301467113 713782216 /nfs/dbraw/zinc/78/22/16/713782216.db2.gz ZQKJMRMECJNNTK-FGTMMUONSA-N 1 3 353.551 3.391 20 0 FGADHO Cc1cc(Br)ccc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000641789438 717930546 /nfs/dbraw/zinc/93/05/46/717930546.db2.gz PQOZAGAQZCUPGV-CQSZACIVSA-N 1 3 355.320 3.255 20 0 FGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCn1ccc2cc(Cl)ccc21 ZINC000577920114 714471034 /nfs/dbraw/zinc/47/10/34/714471034.db2.gz BMMLTEHRQNYOJX-MISYRCLQSA-N 1 3 361.917 3.478 20 0 FGADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc2cccc(F)c12 ZINC000617503996 714662869 /nfs/dbraw/zinc/66/28/69/714662869.db2.gz DQNLKNMZHDMEFM-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc2cccc(F)c12 ZINC000617503996 714662872 /nfs/dbraw/zinc/66/28/72/714662872.db2.gz DQNLKNMZHDMEFM-ZDUSSCGKSA-N 1 3 365.518 3.351 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000643461106 718034863 /nfs/dbraw/zinc/03/48/63/718034863.db2.gz TXBRASQPJONGAZ-MFKMUULPSA-N 1 3 350.816 3.143 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347615 715315940 /nfs/dbraw/zinc/31/59/40/715315940.db2.gz GAWPEOLFFCIQBC-APWZRJJASA-N 1 3 365.949 3.176 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000624119910 715476617 /nfs/dbraw/zinc/47/66/17/715476617.db2.gz MDPCWBKNHQTFMF-ZRNYENFQSA-N 1 3 363.933 3.008 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000624119910 715476621 /nfs/dbraw/zinc/47/66/21/715476621.db2.gz MDPCWBKNHQTFMF-ZRNYENFQSA-N 1 3 363.933 3.008 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132020 724394158 /nfs/dbraw/zinc/39/41/58/724394158.db2.gz XCTANHWIWKUYQI-QZTJIDSGSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132020 724394162 /nfs/dbraw/zinc/39/41/62/724394162.db2.gz XCTANHWIWKUYQI-QZTJIDSGSA-N 1 3 353.551 3.344 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(O)ccc3Cl)CC2)CC1 ZINC000625482324 715739375 /nfs/dbraw/zinc/73/93/75/715739375.db2.gz NLKPONHBNAGIHQ-UHFFFAOYSA-N 1 3 351.922 3.038 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000629416691 716284088 /nfs/dbraw/zinc/28/40/88/716284088.db2.gz UOHFECJFEPPINY-PBHICJAKSA-N 1 3 366.347 3.144 20 0 FGADHO C[C@@H]1CC[C@H](NC2CCN(Cc3ccccc3Br)CC2)C[NH2+]1 ZINC000629416691 716284092 /nfs/dbraw/zinc/28/40/92/716284092.db2.gz UOHFECJFEPPINY-PBHICJAKSA-N 1 3 366.347 3.144 20 0 FGADHO Fc1ccc(SCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000629591865 716315253 /nfs/dbraw/zinc/31/52/53/716315253.db2.gz PNQFWABLYZQVPE-MRXNPFEDSA-N 1 3 356.482 3.147 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1cccc(Br)c1 ZINC000644569544 718126740 /nfs/dbraw/zinc/12/67/40/718126740.db2.gz WXDQAYWZUSOICZ-HNNXBMFYSA-N 1 3 368.319 3.242 20 0 FGADHO CN1CCC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417879 718675472 /nfs/dbraw/zinc/67/54/72/718675472.db2.gz GBRIBWUUWJEVHF-QGZVFWFLSA-N 1 3 362.543 3.090 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(Br)cc3)C2)C1 ZINC000650705470 718716841 /nfs/dbraw/zinc/71/68/41/718716841.db2.gz ICAHVLJCADIVBY-UAGQMJEPSA-N 1 3 353.304 3.167 20 0 FGADHO Cc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654857713 719240883 /nfs/dbraw/zinc/24/08/83/719240883.db2.gz CFWARYQESFTSPD-SFHVURJKSA-N 1 3 361.555 3.213 20 0 FGADHO CC(C)C[C@H]([NH3+])c1noc(-c2sc3c(c2Br)CNC3)n1 ZINC000656559975 719409998 /nfs/dbraw/zinc/40/99/98/719409998.db2.gz CPQKDQPYTGNWMH-QMMMGPOBSA-N 1 3 357.277 3.210 20 0 FGADHO Cc1nn2c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783077 719470489 /nfs/dbraw/zinc/47/04/89/719470489.db2.gz NUHPGDDRLGUTEE-MRXNPFEDSA-N 1 3 361.559 3.434 20 0 FGADHO Oc1ccc(Br)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812886 719716236 /nfs/dbraw/zinc/71/62/36/719716236.db2.gz JVCLRNLGUQALIS-UHFFFAOYSA-N 1 3 353.304 3.366 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657888179 719725507 /nfs/dbraw/zinc/72/55/07/719725507.db2.gz OZYYAIUMHHCEDS-NSHDSACASA-N 1 3 361.711 3.210 20 0 FGADHO C[C@@H](CCNC(=O)c1cc2c(s1)CCNC2)[N@H+](C)Cc1ccccc1 ZINC000662485196 720433668 /nfs/dbraw/zinc/43/36/68/720433668.db2.gz DPXREKHJGVSONQ-HNNXBMFYSA-N 1 3 357.523 3.034 20 0 FGADHO C[C@@H](CCNC(=O)c1cc2c(s1)CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000662485196 720433671 /nfs/dbraw/zinc/43/36/71/720433671.db2.gz DPXREKHJGVSONQ-HNNXBMFYSA-N 1 3 357.523 3.034 20 0 FGADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663451458 720516272 /nfs/dbraw/zinc/51/62/72/720516272.db2.gz ROINEKKUYBCIMN-IAGOWNOFSA-N 1 3 364.559 3.011 20 0 FGADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663451458 720516276 /nfs/dbraw/zinc/51/62/76/720516276.db2.gz ROINEKKUYBCIMN-IAGOWNOFSA-N 1 3 364.559 3.011 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554068 720784875 /nfs/dbraw/zinc/78/48/75/720784875.db2.gz FFMJEZXRDYNJCX-SJORKVTESA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554068 720784879 /nfs/dbraw/zinc/78/48/79/720784879.db2.gz FFMJEZXRDYNJCX-SJORKVTESA-N 1 3 366.937 3.115 20 0 FGADHO FC(F)Oc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953499 721004876 /nfs/dbraw/zinc/00/48/76/721004876.db2.gz ADJSCTGBUQDDOM-CYBMUJFWSA-N 1 3 361.230 3.282 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995204 721011056 /nfs/dbraw/zinc/01/10/56/721011056.db2.gz GHLWTRBSVNCJKX-CRAIPNDOSA-N 1 3 363.933 3.341 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583613 721468868 /nfs/dbraw/zinc/46/88/68/721468868.db2.gz HEEUQYJXUNIOEX-KRWDZBQOSA-N 1 3 366.937 3.246 20 0 FGADHO Cc1nc([C@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489017 721808939 /nfs/dbraw/zinc/80/89/39/721808939.db2.gz GWCZHTRXTQNMRT-HNNXBMFYSA-N 1 3 359.543 3.018 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486861 722413195 /nfs/dbraw/zinc/41/31/95/722413195.db2.gz NWJIFFHXSJMTOS-FJIDUMEYSA-N 1 3 351.535 3.096 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCCC[NH+](C)C ZINC000742734063 722559392 /nfs/dbraw/zinc/55/93/92/722559392.db2.gz DTRJAYKPHNDKBO-UHFFFAOYSA-N 1 3 352.885 3.464 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccccc2c(Cl)n1 ZINC000794562201 723531274 /nfs/dbraw/zinc/53/12/74/723531274.db2.gz ZUAKWACWGKQSKP-UHFFFAOYSA-N 1 3 360.933 3.346 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766272457 723565423 /nfs/dbraw/zinc/56/54/23/723565423.db2.gz JEBAUUHYZQVXJG-HOTGVXAUSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766272457 723565424 /nfs/dbraw/zinc/56/54/24/723565424.db2.gz JEBAUUHYZQVXJG-HOTGVXAUSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000797981649 723894945 /nfs/dbraw/zinc/89/49/45/723894945.db2.gz SDEZEVVVBYUREZ-IRXDYDNUSA-N 1 3 353.551 3.486 20 0 FGADHO Cn1nc(C(F)(F)F)c(CNCC2CC[NH+](C3CC3)CC2)c1Cl ZINC000775200438 723970500 /nfs/dbraw/zinc/97/05/00/723970500.db2.gz KLTXKDOZGUVKKE-UHFFFAOYSA-N 1 3 350.816 3.056 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176901 723995252 /nfs/dbraw/zinc/99/52/52/723995252.db2.gz FJPPDFCUSABZON-INIZCTEOSA-N 1 3 363.933 3.153 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000802314436 724376788 /nfs/dbraw/zinc/37/67/88/724376788.db2.gz DRDWBMDUNHBLLX-MRXNPFEDSA-N 1 3 355.320 3.335 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818979866 727333740 /nfs/dbraw/zinc/33/37/40/727333740.db2.gz CEXKPMAPXBPYDX-KRWDZBQOSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000820821819 729034616 /nfs/dbraw/zinc/03/46/16/729034616.db2.gz KFJAKADNFPWTFQ-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000820821819 729034618 /nfs/dbraw/zinc/03/46/18/729034618.db2.gz KFJAKADNFPWTFQ-ZDUSSCGKSA-N 1 3 374.501 3.395 20 0 FGADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000823818569 729306606 /nfs/dbraw/zinc/30/66/06/729306606.db2.gz IDKUGTHSHPXXQS-MSOLQXFVSA-N 1 3 355.567 3.493 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000824993115 729367109 /nfs/dbraw/zinc/36/71/09/729367109.db2.gz NUEOFTYUUZFXDX-OKZBNKHCSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000824993115 729367111 /nfs/dbraw/zinc/36/71/11/729367111.db2.gz NUEOFTYUUZFXDX-OKZBNKHCSA-N 1 3 351.535 3.383 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104019 729424398 /nfs/dbraw/zinc/42/43/98/729424398.db2.gz UHWNERIQLPKQDS-RHSMWYFYSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104019 729424400 /nfs/dbraw/zinc/42/44/00/729424400.db2.gz UHWNERIQLPKQDS-RHSMWYFYSA-N 1 3 366.937 3.062 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000828049291 729439229 /nfs/dbraw/zinc/43/92/29/729439229.db2.gz QPIFBAHEGVMNIG-SJORKVTESA-N 1 3 366.937 3.204 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000828049291 729439230 /nfs/dbraw/zinc/43/92/30/729439230.db2.gz QPIFBAHEGVMNIG-SJORKVTESA-N 1 3 366.937 3.204 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)CC(C)C ZINC000831137923 729620537 /nfs/dbraw/zinc/62/05/37/729620537.db2.gz FIFLAIBPGDSNGA-DLBZAZTESA-N 1 3 368.953 3.306 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@H]1CC[NH2+]C1 ZINC000841036350 730205061 /nfs/dbraw/zinc/20/50/61/730205061.db2.gz LRZRXLYGDYBJDX-CQSZACIVSA-N 1 3 350.869 3.122 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)Nc2cc(C[NH+](C)C)ccc2C)cc(Cl)n1 ZINC000844188870 730691397 /nfs/dbraw/zinc/69/13/97/730691397.db2.gz AEEQLRQOMBDGOX-INIZCTEOSA-N 1 3 360.889 3.442 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057681 731225032 /nfs/dbraw/zinc/22/50/32/731225032.db2.gz IYUAPWFOJAVVHO-ZDUSSCGKSA-N 1 3 365.934 3.090 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078022 731226785 /nfs/dbraw/zinc/22/67/85/731226785.db2.gz FIEGNNUIQWFIRQ-NSHDSACASA-N 1 3 364.362 3.082 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC2SCCS2)CC1 ZINC000850401514 731352562 /nfs/dbraw/zinc/35/25/62/731352562.db2.gz HGFGBXCHPGSPHN-UHFFFAOYSA-N 1 3 351.585 3.114 20 0 FGADHO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853084190 731662247 /nfs/dbraw/zinc/66/22/47/731662247.db2.gz AXXUQMXKUFEAEY-QGZVFWFLSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCc3cscn3)C2)ccn1 ZINC000856604279 732040701 /nfs/dbraw/zinc/04/07/01/732040701.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 1 3 360.527 3.074 20 0 FGADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCc3cscn3)C2)ccn1 ZINC000856604279 732040706 /nfs/dbraw/zinc/04/07/06/732040706.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 1 3 360.527 3.074 20 0 FGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccccc1Cl ZINC000859214147 732290769 /nfs/dbraw/zinc/29/07/69/732290769.db2.gz MSRAWVZDXQXXHG-GOSISDBHSA-N 1 3 362.901 3.273 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437689 /nfs/dbraw/zinc/43/76/89/732437689.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437691 /nfs/dbraw/zinc/43/76/91/732437691.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)CC(F)F ZINC000865403904 733192859 /nfs/dbraw/zinc/19/28/59/733192859.db2.gz UZPIIIJYVOPQMP-GFCCVEGCSA-N 1 3 363.493 3.434 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025760 735578050 /nfs/dbraw/zinc/57/80/50/735578050.db2.gz SPABTKCTRWWJGC-KYJSFNMBSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025760 735578053 /nfs/dbraw/zinc/57/80/53/735578053.db2.gz SPABTKCTRWWJGC-KYJSFNMBSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025760 735578057 /nfs/dbraw/zinc/57/80/57/735578057.db2.gz SPABTKCTRWWJGC-KYJSFNMBSA-N 1 3 367.331 3.458 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411586 736828095 /nfs/dbraw/zinc/82/80/95/736828095.db2.gz LVMDSQILNXDVMU-NLWGTHIKSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411586 736828096 /nfs/dbraw/zinc/82/80/96/736828096.db2.gz LVMDSQILNXDVMU-NLWGTHIKSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411586 736828098 /nfs/dbraw/zinc/82/80/98/736828098.db2.gz LVMDSQILNXDVMU-NLWGTHIKSA-N 1 3 350.547 3.205 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN(C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516872 740011012 /nfs/dbraw/zinc/01/10/12/740011012.db2.gz QBKPOVNMTUJXFN-RBSFLKMASA-N 1 3 352.441 3.217 20 0 FGADHO CCOC(=O)c1ncc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000892587565 740019821 /nfs/dbraw/zinc/01/98/21/740019821.db2.gz AJUOFLJQCUEISQ-HUUCEWRRSA-N 1 3 353.532 3.168 20 0 FGADHO COC(=O)c1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1 ZINC000903500226 743856332 /nfs/dbraw/zinc/85/63/32/743856332.db2.gz WVFWQDOWEYATKA-CZUORRHYSA-N 1 3 359.495 3.013 20 0 FGADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723900 743879504 /nfs/dbraw/zinc/87/95/04/743879504.db2.gz JHJPMVUQYBEGMR-ICSRJNTNSA-N 1 3 362.901 3.003 20 0 FGADHO O=C(Nc1ccc2c(c1)CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)C(F)(F)F ZINC000903933610 743900292 /nfs/dbraw/zinc/90/02/92/743900292.db2.gz SYLWXPKTCOUIGE-PHTAMDTFSA-N 1 3 353.388 3.034 20 0 FGADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159644 /nfs/dbraw/zinc/15/96/44/762159644.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 1 3 363.571 3.113 20 0 FGADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159651 /nfs/dbraw/zinc/15/96/51/762159651.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 1 3 363.571 3.113 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000918120251 758305104 /nfs/dbraw/zinc/30/51/04/758305104.db2.gz HDTMIMVXGYRLRH-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO CSCc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000921979053 758832536 /nfs/dbraw/zinc/83/25/36/758832536.db2.gz BPNOKZVXROKQET-NRFANRHFSA-N 1 3 356.535 3.406 20 0 FGADHO CSCc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000921979053 758832548 /nfs/dbraw/zinc/83/25/48/758832548.db2.gz BPNOKZVXROKQET-NRFANRHFSA-N 1 3 356.535 3.406 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395340 758913822 /nfs/dbraw/zinc/91/38/22/758913822.db2.gz VMRVIQOTTLAANZ-ZAWLATJESA-N 1 3 356.432 3.063 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395340 758913823 /nfs/dbraw/zinc/91/38/23/758913823.db2.gz VMRVIQOTTLAANZ-ZAWLATJESA-N 1 3 356.432 3.063 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393944 758913918 /nfs/dbraw/zinc/91/39/18/758913918.db2.gz NZUFPCJHLQTGJL-IZBJGVDFSA-N 1 3 365.587 3.301 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393944 758913920 /nfs/dbraw/zinc/91/39/20/758913920.db2.gz NZUFPCJHLQTGJL-IZBJGVDFSA-N 1 3 365.587 3.301 20 0 FGADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372912 759106979 /nfs/dbraw/zinc/10/69/79/759106979.db2.gz KIFUAURFWWSCJB-ZBFHGGJFSA-N 1 3 361.313 3.230 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925777853 759536629 /nfs/dbraw/zinc/53/66/29/759536629.db2.gz QZKJAGRXZZHMEA-IAOVAPTHSA-N 1 3 352.425 3.003 20 0 FGADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925786660 759539558 /nfs/dbraw/zinc/53/95/58/759539558.db2.gz XRSGIWGTNYGWBX-DZGCQCFKSA-N 1 3 354.445 3.112 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855503 759560763 /nfs/dbraw/zinc/56/07/63/759560763.db2.gz OGMRBZCKNPZCBT-YPMHNXCESA-N 1 3 357.281 3.329 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881106 759837168 /nfs/dbraw/zinc/83/71/68/759837168.db2.gz SPHUJNBLWXGACN-PNDFQMOFSA-N 1 3 363.933 3.182 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881106 759837175 /nfs/dbraw/zinc/83/71/75/759837175.db2.gz SPHUJNBLWXGACN-PNDFQMOFSA-N 1 3 363.933 3.182 20 0 FGADHO CN1CCC[C@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469942 /nfs/dbraw/zinc/46/99/42/760469942.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CCC[C@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469947 /nfs/dbraw/zinc/46/99/47/760469947.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000960642571 762736625 /nfs/dbraw/zinc/73/66/25/762736625.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000960642571 762736632 /nfs/dbraw/zinc/73/66/32/762736632.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)CC[N@@H+]1C ZINC001045781341 766572865 /nfs/dbraw/zinc/57/28/65/766572865.db2.gz HKSMGBYMFWYHFU-YDZRNGNQSA-N 1 3 361.555 3.044 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)CC[N@H+]1C ZINC001045781341 766572873 /nfs/dbraw/zinc/57/28/73/766572873.db2.gz HKSMGBYMFWYHFU-YDZRNGNQSA-N 1 3 361.555 3.044 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CCN(C/C=C\Cl)CC3)C2)CC[N@@H+]1C ZINC001047243191 766632490 /nfs/dbraw/zinc/63/24/90/766632490.db2.gz XLTMUDFBSUNZER-PIDDPAKVSA-N 1 3 367.965 3.030 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CCN(C/C=C\Cl)CC3)C2)CC[N@H+]1C ZINC001047243191 766632500 /nfs/dbraw/zinc/63/25/00/766632500.db2.gz XLTMUDFBSUNZER-PIDDPAKVSA-N 1 3 367.965 3.030 20 0 FGADHO CC[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(CC)CC ZINC000573716063 505602556 /nfs/dbraw/zinc/60/25/56/505602556.db2.gz OCORFYIXGLRADH-WMZOPIPTSA-N 1 3 353.938 3.222 20 0 FGADHO CCCN1CCC([NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000576857304 505611114 /nfs/dbraw/zinc/61/11/14/505611114.db2.gz ZLMLUYIHRZXRBP-UHFFFAOYSA-N 1 3 372.456 3.312 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746313 505611681 /nfs/dbraw/zinc/61/16/81/505611681.db2.gz OCLJPIBLZNSBMI-PGRDOPGGSA-N 1 3 365.521 3.041 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000573840014 505633101 /nfs/dbraw/zinc/63/31/01/505633101.db2.gz NGVHVKZEPSTDHT-VGOFRKELSA-N 1 3 363.505 3.215 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC(C)C)nc3)CC2)CC1 ZINC000568194760 505641249 /nfs/dbraw/zinc/64/12/49/505641249.db2.gz RZEUHJXJGJUUOJ-UHFFFAOYSA-N 1 3 374.529 3.004 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000577129117 505669641 /nfs/dbraw/zinc/66/96/41/505669641.db2.gz VKMUNDJNGGAMQC-CQSZACIVSA-N 1 3 372.376 3.115 20 0 FGADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000047972985 493767969 /nfs/dbraw/zinc/76/79/69/493767969.db2.gz NKILCAXTWXBURK-JOCHJYFZSA-N 1 3 369.553 3.378 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068200170 493777402 /nfs/dbraw/zinc/77/74/02/493777402.db2.gz LJHLLUSIWITZMV-GOSISDBHSA-N 1 3 361.505 3.027 20 0 FGADHO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1F ZINC000076331125 493866625 /nfs/dbraw/zinc/86/66/25/493866625.db2.gz TVNYDMYUVQKIPB-UHFFFAOYSA-N 1 3 369.484 3.250 20 0 FGADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000068887155 493889671 /nfs/dbraw/zinc/88/96/71/493889671.db2.gz SGKVCCIUQJIBEK-ROUUACIJSA-N 1 3 364.578 3.203 20 0 FGADHO Cc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCC2)c1 ZINC000050799282 493935891 /nfs/dbraw/zinc/93/58/91/493935891.db2.gz YKHYKZZMRRRQSR-UHFFFAOYSA-N 1 3 369.553 3.092 20 0 FGADHO CC(C)N1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000069732949 494004231 /nfs/dbraw/zinc/00/42/31/494004231.db2.gz AASPIMZOOKWPPU-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C(C)C)CC1 ZINC000063619116 494070965 /nfs/dbraw/zinc/07/09/65/494070965.db2.gz BISZOFXGQYYJPP-OAQYLSRUSA-N 1 3 357.542 3.196 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063652125 494074654 /nfs/dbraw/zinc/07/46/54/494074654.db2.gz XRIYTWKQNQXVTO-QGZVFWFLSA-N 1 3 374.447 3.250 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063652125 494074656 /nfs/dbraw/zinc/07/46/56/494074656.db2.gz XRIYTWKQNQXVTO-QGZVFWFLSA-N 1 3 374.447 3.250 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237666 494108605 /nfs/dbraw/zinc/10/86/05/494108605.db2.gz MFQKKKYGXTWWMS-HXUWFJFHSA-N 1 3 360.546 3.163 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000071935823 494110293 /nfs/dbraw/zinc/11/02/93/494110293.db2.gz RPSJKOKEQKSDLC-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388352 494119299 /nfs/dbraw/zinc/11/92/99/494119299.db2.gz OWKCAFFNQPLXPC-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000085389954 494119432 /nfs/dbraw/zinc/11/94/32/494119432.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 1 3 360.546 3.008 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000085389954 494119435 /nfs/dbraw/zinc/11/94/35/494119435.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 1 3 360.546 3.008 20 0 FGADHO C[C@H](CNC(=O)N1CCN(CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000065459699 494199296 /nfs/dbraw/zinc/19/92/96/494199296.db2.gz YIMCERQWMNQDTE-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268579 /nfs/dbraw/zinc/26/85/79/494268579.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268585 /nfs/dbraw/zinc/26/85/85/494268585.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269206 /nfs/dbraw/zinc/26/92/06/494269206.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269209 /nfs/dbraw/zinc/26/92/09/494269209.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 1 3 368.319 3.051 20 0 FGADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000073795129 494430027 /nfs/dbraw/zinc/43/00/27/494430027.db2.gz IPAVSIAYXVNTDI-DLBZAZTESA-N 1 3 366.575 3.257 20 0 FGADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795129 494430028 /nfs/dbraw/zinc/43/00/28/494430028.db2.gz IPAVSIAYXVNTDI-DLBZAZTESA-N 1 3 366.575 3.257 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)c1ccccc1 ZINC000090038603 494431371 /nfs/dbraw/zinc/43/13/71/494431371.db2.gz SMESEZBRGGTRSB-GOSISDBHSA-N 1 3 367.537 3.434 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000066983264 494451382 /nfs/dbraw/zinc/45/13/82/494451382.db2.gz CKXNXUDKDITMAU-UHFFFAOYSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586109 494484328 /nfs/dbraw/zinc/48/43/28/494484328.db2.gz MKRGTYHINPVOSF-JKSUJKDBSA-N 1 3 366.937 3.410 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586109 494484330 /nfs/dbraw/zinc/48/43/30/494484330.db2.gz MKRGTYHINPVOSF-JKSUJKDBSA-N 1 3 366.937 3.410 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586109 494484333 /nfs/dbraw/zinc/48/43/33/494484333.db2.gz MKRGTYHINPVOSF-JKSUJKDBSA-N 1 3 366.937 3.410 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000056786427 494562694 /nfs/dbraw/zinc/56/26/94/494562694.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000056786427 494562697 /nfs/dbraw/zinc/56/26/97/494562697.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789937 494623826 /nfs/dbraw/zinc/62/38/26/494623826.db2.gz ZYAFQMTZGQVVAO-NRFANRHFSA-N 1 3 372.557 3.156 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000580340623 505736593 /nfs/dbraw/zinc/73/65/93/505736593.db2.gz VLJPTCBURZVZDZ-IKGGRYGDSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000580340623 505736597 /nfs/dbraw/zinc/73/65/97/505736597.db2.gz VLJPTCBURZVZDZ-IKGGRYGDSA-N 1 3 360.889 3.395 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108500161 494725488 /nfs/dbraw/zinc/72/54/88/494725488.db2.gz LYEPJPUEPBJRPG-SFHVURJKSA-N 1 3 374.529 3.013 20 0 FGADHO CNC(=O)c1cccc(C[N@H+](C)CCC2CCN(c3ccncc3)CC2)c1 ZINC000092821488 494763143 /nfs/dbraw/zinc/76/31/43/494763143.db2.gz XJDVSXFQBGOMBT-UHFFFAOYSA-N 1 3 366.509 3.180 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)c1 ZINC000092821488 494763149 /nfs/dbraw/zinc/76/31/49/494763149.db2.gz XJDVSXFQBGOMBT-UHFFFAOYSA-N 1 3 366.509 3.180 20 0 FGADHO CCC[C@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821459 494764063 /nfs/dbraw/zinc/76/40/63/494764063.db2.gz QNWRXXFIHCVTER-ROUUACIJSA-N 1 3 360.546 3.313 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000116385056 494771207 /nfs/dbraw/zinc/77/12/07/494771207.db2.gz RMRZZYXQLXPUDX-AVRDEDQJSA-N 1 3 352.526 3.143 20 0 FGADHO COC(=O)c1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000093006837 494806285 /nfs/dbraw/zinc/80/62/85/494806285.db2.gz XMCNDGVDDXQWJD-UHFFFAOYSA-N 1 3 355.482 3.145 20 0 FGADHO COC(=O)c1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000093006837 494806289 /nfs/dbraw/zinc/80/62/89/494806289.db2.gz XMCNDGVDDXQWJD-UHFFFAOYSA-N 1 3 355.482 3.145 20 0 FGADHO CC(C)C1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000132356793 494861323 /nfs/dbraw/zinc/86/13/23/494861323.db2.gz HKEMJZRFSNAGDP-UHFFFAOYSA-N 1 3 364.578 3.059 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000093742180 494915900 /nfs/dbraw/zinc/91/59/00/494915900.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 1 3 372.601 3.382 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000093742180 494915901 /nfs/dbraw/zinc/91/59/01/494915901.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 1 3 372.601 3.382 20 0 FGADHO CN(c1ccccc1CNCCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000132735908 494916174 /nfs/dbraw/zinc/91/61/74/494916174.db2.gz NSBIOUJULHTOSW-UHFFFAOYSA-N 1 3 353.510 3.386 20 0 FGADHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132920595 494943153 /nfs/dbraw/zinc/94/31/53/494943153.db2.gz KSSGUBYHJVAHDH-LPHOPBHVSA-N 1 3 362.514 3.245 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000122333682 494959546 /nfs/dbraw/zinc/95/95/46/494959546.db2.gz OMSPRCKNDICELG-FHWLQOOXSA-N 1 3 357.542 3.337 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000133151745 494977305 /nfs/dbraw/zinc/97/73/05/494977305.db2.gz UFCWFXWJMWTMPV-KRWDZBQOSA-N 1 3 370.463 3.093 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133211164 494985490 /nfs/dbraw/zinc/98/54/90/494985490.db2.gz XMIOCSKEPPSTSV-WMLDXEAASA-N 1 3 359.436 3.424 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133297785 494996886 /nfs/dbraw/zinc/99/68/86/494996886.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 1 3 358.574 3.039 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133297785 494996888 /nfs/dbraw/zinc/99/68/88/494996888.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 1 3 358.574 3.039 20 0 FGADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122925678 495053749 /nfs/dbraw/zinc/05/37/49/495053749.db2.gz CKFATNUEIGYTQZ-QGZVFWFLSA-N 1 3 373.541 3.330 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000134155985 495114109 /nfs/dbraw/zinc/11/41/09/495114109.db2.gz DLOZPXCRIFPBOA-UHFFFAOYSA-N 1 3 355.530 3.426 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000134155985 495114111 /nfs/dbraw/zinc/11/41/11/495114111.db2.gz DLOZPXCRIFPBOA-UHFFFAOYSA-N 1 3 355.530 3.426 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000128851986 495159310 /nfs/dbraw/zinc/15/93/10/495159310.db2.gz QRPTYQLDXQDSDU-DEOSSOPVSA-N 1 3 365.565 3.456 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000128851986 495159315 /nfs/dbraw/zinc/15/93/15/495159315.db2.gz QRPTYQLDXQDSDU-DEOSSOPVSA-N 1 3 365.565 3.456 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000129057087 495190148 /nfs/dbraw/zinc/19/01/48/495190148.db2.gz VCBMOYJBVDGKLB-SFHVURJKSA-N 1 3 361.530 3.070 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccsc1 ZINC000103509998 495245186 /nfs/dbraw/zinc/24/51/86/495245186.db2.gz VTYCVXRQRFHLDW-GOSISDBHSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000577647424 505770028 /nfs/dbraw/zinc/77/00/28/505770028.db2.gz NUFVKICSYQTQBW-AVRDEDQJSA-N 1 3 365.521 3.184 20 0 FGADHO CCN1CCC(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000113580899 495316766 /nfs/dbraw/zinc/31/67/66/495316766.db2.gz MNVNLFVIDVKQIK-GOSISDBHSA-N 1 3 372.557 3.434 20 0 FGADHO CC(=O)Nc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000120183276 495322647 /nfs/dbraw/zinc/32/26/47/495322647.db2.gz RMWGPEZTGZQVSB-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3cnccn3)CC2)c1 ZINC000125329235 495426745 /nfs/dbraw/zinc/42/67/45/495426745.db2.gz URFHDQJBZUYGHD-LJQANCHMSA-N 1 3 353.514 3.038 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902850 495463756 /nfs/dbraw/zinc/46/37/56/495463756.db2.gz WGPOZFVBWYLUJD-OAQYLSRUSA-N 1 3 369.553 3.303 20 0 FGADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000107386471 495526806 /nfs/dbraw/zinc/52/68/06/495526806.db2.gz YHTMTMNUULPHMZ-UHFFFAOYSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000158692884 495570111 /nfs/dbraw/zinc/57/01/11/495570111.db2.gz ALYCAYYTNRNZJU-FQEVSTJZSA-N 1 3 352.526 3.330 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154331846 495583227 /nfs/dbraw/zinc/58/32/27/495583227.db2.gz DEEKKMPLWJYAGJ-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000154355311 495589903 /nfs/dbraw/zinc/58/99/03/495589903.db2.gz LABZKZUKMPXUBR-SFHVURJKSA-N 1 3 353.938 3.417 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000568862402 505795683 /nfs/dbraw/zinc/79/56/83/505795683.db2.gz MQKVEXPKCMMXOC-JOCHJYFZSA-N 1 3 351.494 3.031 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCN(C2CCCC2)CC1 ZINC000176492252 495671173 /nfs/dbraw/zinc/67/11/73/495671173.db2.gz RPJIWDCDTLNBQY-UHFFFAOYSA-N 1 3 362.562 3.053 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130730 495747302 /nfs/dbraw/zinc/74/73/02/495747302.db2.gz ACXAOCQADVOTQX-ZWKOTPCHSA-N 1 3 356.514 3.323 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cccc(CO)c1 ZINC000183236651 495891709 /nfs/dbraw/zinc/89/17/09/495891709.db2.gz KMIXGINIDLHHJW-HXUWFJFHSA-N 1 3 367.537 3.432 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587329 496004520 /nfs/dbraw/zinc/00/45/20/496004520.db2.gz SMTJVSNPYBUXPK-HUUCEWRRSA-N 1 3 359.436 3.262 20 0 FGADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1OCC ZINC000155743020 496053644 /nfs/dbraw/zinc/05/36/44/496053644.db2.gz BJVWSGILPDQWRB-MSOLQXFVSA-N 1 3 363.546 3.161 20 0 FGADHO CN(CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177424847 496057401 /nfs/dbraw/zinc/05/74/01/496057401.db2.gz ORWPIWCHIRTDND-UHFFFAOYSA-N 1 3 372.557 3.215 20 0 FGADHO COc1ccc(OC(F)F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000171841447 496059006 /nfs/dbraw/zinc/05/90/06/496059006.db2.gz TVBBRUROPFLDOA-HUUCEWRRSA-N 1 3 372.456 3.276 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511261 496092258 /nfs/dbraw/zinc/09/22/58/496092258.db2.gz XVUPBLWEEDJOPT-LJQANCHMSA-N 1 3 364.578 3.347 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c4c[nH]nc43)CC2)CC1 ZINC000580731743 505825327 /nfs/dbraw/zinc/82/53/27/505825327.db2.gz VHJJRHYGAULELE-UHFFFAOYSA-N 1 3 369.513 3.006 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000156039865 496140721 /nfs/dbraw/zinc/14/07/21/496140721.db2.gz CBAKBNYPJVWICS-SFHVURJKSA-N 1 3 371.550 3.452 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000156039865 496140724 /nfs/dbraw/zinc/14/07/24/496140724.db2.gz CBAKBNYPJVWICS-SFHVURJKSA-N 1 3 371.550 3.452 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000174890732 496150896 /nfs/dbraw/zinc/15/08/96/496150896.db2.gz CYEDSAQDAFPJQG-LNLFQRSKSA-N 1 3 360.546 3.240 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)CC3CCC3)CC2)CC1 ZINC000568999970 505827645 /nfs/dbraw/zinc/82/76/45/505827645.db2.gz HROCCAZIEWBCTD-UHFFFAOYSA-N 1 3 361.574 3.221 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000177866088 496230374 /nfs/dbraw/zinc/23/03/74/496230374.db2.gz VBOOAUKAYIRTFU-MSOLQXFVSA-N 1 3 374.529 3.026 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778841 496255118 /nfs/dbraw/zinc/25/51/18/496255118.db2.gz UHVXGGCCMTVVBD-APWZRJJASA-N 1 3 352.494 3.451 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768825 505834127 /nfs/dbraw/zinc/83/41/27/505834127.db2.gz ABZZQTWWBKRDOT-FUHIMQAGSA-N 1 3 360.523 3.161 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768825 505834131 /nfs/dbraw/zinc/83/41/31/505834131.db2.gz ABZZQTWWBKRDOT-FUHIMQAGSA-N 1 3 360.523 3.161 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000175272094 496316624 /nfs/dbraw/zinc/31/66/24/496316624.db2.gz ZIVGHUBOVUOKPU-KYHREEPGSA-N 1 3 357.542 3.417 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000175272094 496316629 /nfs/dbraw/zinc/31/66/29/496316629.db2.gz ZIVGHUBOVUOKPU-KYHREEPGSA-N 1 3 357.542 3.417 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000162437659 496352728 /nfs/dbraw/zinc/35/27/28/496352728.db2.gz WMRXDHRTMZLXHJ-RXVVDRJESA-N 1 3 357.542 3.244 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000162538193 496369537 /nfs/dbraw/zinc/36/95/37/496369537.db2.gz YNQXPLVVSGUYDT-INIZCTEOSA-N 1 3 355.482 3.436 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181569695 496450451 /nfs/dbraw/zinc/45/04/51/496450451.db2.gz NXWPXWJBHMXQFY-MRXNPFEDSA-N 1 3 374.447 3.109 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187479080 496458290 /nfs/dbraw/zinc/45/82/90/496458290.db2.gz SKEMTKJDIKWQNS-JBACZVJFSA-N 1 3 374.573 3.267 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187479080 496458296 /nfs/dbraw/zinc/45/82/96/496458296.db2.gz SKEMTKJDIKWQNS-JBACZVJFSA-N 1 3 374.573 3.267 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000175641991 496479202 /nfs/dbraw/zinc/47/92/02/496479202.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000175641991 496479208 /nfs/dbraw/zinc/47/92/08/496479208.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000175641991 496479213 /nfs/dbraw/zinc/47/92/13/496479213.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000175641991 496479221 /nfs/dbraw/zinc/47/92/21/496479221.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 1 3 372.557 3.164 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000163219057 496482920 /nfs/dbraw/zinc/48/29/20/496482920.db2.gz YBIPIFXPPOPZTN-PXNSSMCTSA-N 1 3 356.514 3.229 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163219057 496482926 /nfs/dbraw/zinc/48/29/26/496482926.db2.gz YBIPIFXPPOPZTN-PXNSSMCTSA-N 1 3 356.514 3.229 20 0 FGADHO CCc1ccc([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000157741160 496542798 /nfs/dbraw/zinc/54/27/98/496542798.db2.gz QADHQXIMZOKYAC-GOSISDBHSA-N 1 3 371.569 3.417 20 0 FGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000176022110 496647023 /nfs/dbraw/zinc/64/70/23/496647023.db2.gz XSUHXKHFIWKORH-HXUWFJFHSA-N 1 3 362.562 3.053 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414090 496682425 /nfs/dbraw/zinc/68/24/25/496682425.db2.gz XWQOPLREEPZNLB-YZGWKJHDSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414090 496682428 /nfs/dbraw/zinc/68/24/28/496682428.db2.gz XWQOPLREEPZNLB-YZGWKJHDSA-N 1 3 360.546 3.194 20 0 FGADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846253 496705936 /nfs/dbraw/zinc/70/59/36/496705936.db2.gz DFUAEFZYCVYATF-KSSFIOAISA-N 1 3 351.922 3.042 20 0 FGADHO Cc1cccc(OC[C@@H](O)CNCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000580887796 505861585 /nfs/dbraw/zinc/86/15/85/505861585.db2.gz PKFCTFQYHQWJOI-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1cccc(OC[C@@H](O)CNCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000580887796 505861588 /nfs/dbraw/zinc/86/15/88/505861588.db2.gz PKFCTFQYHQWJOI-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000182259179 496722008 /nfs/dbraw/zinc/72/20/08/496722008.db2.gz AWCIWYLJSWSBJX-QGZVFWFLSA-N 1 3 354.922 3.052 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273157 496724417 /nfs/dbraw/zinc/72/44/17/496724417.db2.gz GBSTXZGQISLZAM-PXNSSMCTSA-N 1 3 353.510 3.170 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273157 496724419 /nfs/dbraw/zinc/72/44/19/496724419.db2.gz GBSTXZGQISLZAM-PXNSSMCTSA-N 1 3 353.510 3.170 20 0 FGADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560201 496735360 /nfs/dbraw/zinc/73/53/60/496735360.db2.gz OUUSQDNQBZIMAP-LJQANCHMSA-N 1 3 362.493 3.286 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000246988184 496743623 /nfs/dbraw/zinc/74/36/23/496743623.db2.gz KBGVYCRPIOJRKW-FUPPJEDESA-N 1 3 372.601 3.216 20 0 FGADHO CC[N@@H+]1CC[C@H](NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000247124727 496787745 /nfs/dbraw/zinc/78/77/45/496787745.db2.gz RJQNYJPLMFMFNV-GHDARCQNSA-N 1 3 359.558 3.116 20 0 FGADHO CC[N@H+]1CC[C@H](NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000247124727 496787747 /nfs/dbraw/zinc/78/77/47/496787747.db2.gz RJQNYJPLMFMFNV-GHDARCQNSA-N 1 3 359.558 3.116 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000247124727 496787753 /nfs/dbraw/zinc/78/77/53/496787753.db2.gz RJQNYJPLMFMFNV-GHDARCQNSA-N 1 3 359.558 3.116 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000191564327 496813712 /nfs/dbraw/zinc/81/37/12/496813712.db2.gz FXVHZOPWDVHASO-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000191574871 496818521 /nfs/dbraw/zinc/81/85/21/496818521.db2.gz RPRFUHHTOGGPCY-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cc1 ZINC000191585075 496821536 /nfs/dbraw/zinc/82/15/36/496821536.db2.gz UTGRFLAPZSKNJW-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000191595049 496824776 /nfs/dbraw/zinc/82/47/76/496824776.db2.gz NOFRHDFYHKUACR-GHTZIAJQSA-N 1 3 356.510 3.190 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000247313278 496831196 /nfs/dbraw/zinc/83/11/96/496831196.db2.gz KECHYYFNYGUTMM-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000247313278 496831201 /nfs/dbraw/zinc/83/12/01/496831201.db2.gz KECHYYFNYGUTMM-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO CCCOc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OCCC ZINC000268950295 496831971 /nfs/dbraw/zinc/83/19/71/496831971.db2.gz CCPXIYFDJLHSJN-QGZVFWFLSA-N 1 3 364.530 3.372 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837838 /nfs/dbraw/zinc/83/78/38/496837838.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837845 /nfs/dbraw/zinc/83/78/45/496837845.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 1 3 354.922 3.193 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247508540 496875197 /nfs/dbraw/zinc/87/51/97/496875197.db2.gz MIAHSNWPUBODDR-VWPQPMDRSA-N 1 3 360.542 3.248 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247508540 496875199 /nfs/dbraw/zinc/87/51/99/496875199.db2.gz MIAHSNWPUBODDR-VWPQPMDRSA-N 1 3 360.542 3.248 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(F)ccc2C)CC1 ZINC000188842204 496925288 /nfs/dbraw/zinc/92/52/88/496925288.db2.gz NNAKHERFXSUXDC-UHFFFAOYSA-N 1 3 363.521 3.194 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000247976708 496937397 /nfs/dbraw/zinc/93/73/97/496937397.db2.gz KZTAYNLAKUVWIF-HLIPFELVSA-N 1 3 364.530 3.491 20 0 FGADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000248436059 497009804 /nfs/dbraw/zinc/00/98/04/497009804.db2.gz GDJLOJCLNFIAOA-DHIUTWEWSA-N 1 3 350.506 3.364 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248449975 497015377 /nfs/dbraw/zinc/01/53/77/497015377.db2.gz OWLNFDXVJPWQED-KBXCAEBGSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248449975 497015385 /nfs/dbraw/zinc/01/53/85/497015385.db2.gz OWLNFDXVJPWQED-KBXCAEBGSA-N 1 3 359.539 3.431 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248456094 497018093 /nfs/dbraw/zinc/01/80/93/497018093.db2.gz RYJLHEYKAXBVEG-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248456094 497018094 /nfs/dbraw/zinc/01/80/94/497018094.db2.gz RYJLHEYKAXBVEG-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)C ZINC000248705896 497083360 /nfs/dbraw/zinc/08/33/60/497083360.db2.gz ORNKXXLYYYCMJW-OXQOHEQNSA-N 1 3 356.514 3.190 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248710352 497084541 /nfs/dbraw/zinc/08/45/41/497084541.db2.gz PYVQPXFXAMSZML-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248719186 497086567 /nfs/dbraw/zinc/08/65/67/497086567.db2.gz SDUGTPCSAKQQCL-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390119 497098354 /nfs/dbraw/zinc/09/83/54/497098354.db2.gz ITUBEMIFWIHMPM-PZJWPPBQSA-N 1 3 353.510 3.004 20 0 FGADHO CC1CCN([C@H](CNC(=O)CCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236659456 497128946 /nfs/dbraw/zinc/12/89/46/497128946.db2.gz NHGIXWYLNBSYHC-GOSISDBHSA-N 1 3 363.571 3.417 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000249024567 497151524 /nfs/dbraw/zinc/15/15/24/497151524.db2.gz RFRHOUCZLYPLLU-HLAWJBBLSA-N 1 3 374.573 3.125 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000249024567 497151529 /nfs/dbraw/zinc/15/15/29/497151529.db2.gz RFRHOUCZLYPLLU-HLAWJBBLSA-N 1 3 374.573 3.125 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNCc1cnc2c(c1)c(C)nn2C ZINC000236915475 497168736 /nfs/dbraw/zinc/16/87/36/497168736.db2.gz ZSICRSBAPSNISX-UHFFFAOYSA-N 1 3 351.498 3.408 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192684971 497184728 /nfs/dbraw/zinc/18/47/28/497184728.db2.gz IGSTZVAKJPVUEE-XLIONFOSSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000192684959 497184960 /nfs/dbraw/zinc/18/49/60/497184960.db2.gz IGSTZVAKJPVUEE-FXAWDEMLSA-N 1 3 355.526 3.030 20 0 FGADHO COc1cccc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000192728268 497196727 /nfs/dbraw/zinc/19/67/27/497196727.db2.gz IJTFBYHKCXJNMM-UHFFFAOYSA-N 1 3 359.558 3.291 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000189760996 497234845 /nfs/dbraw/zinc/23/48/45/497234845.db2.gz SDUGTPCSAKQQCL-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000237444057 497238221 /nfs/dbraw/zinc/23/82/21/497238221.db2.gz VSJBNBJQPBCWBE-RCZSKKKRSA-N 1 3 365.521 3.003 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000237444057 497238225 /nfs/dbraw/zinc/23/82/25/497238225.db2.gz VSJBNBJQPBCWBE-RCZSKKKRSA-N 1 3 365.521 3.003 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000250777467 497269894 /nfs/dbraw/zinc/26/98/94/497269894.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 1 3 357.542 3.420 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000250777467 497269897 /nfs/dbraw/zinc/26/98/97/497269897.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)Cc1ccccc1 ZINC000189954431 497304959 /nfs/dbraw/zinc/30/49/59/497304959.db2.gz KZKULHUHFXWAGW-WOIUINJBSA-N 1 3 352.522 3.336 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCNc3ccccc32)C1 ZINC000193277518 497339310 /nfs/dbraw/zinc/33/93/10/497339310.db2.gz CRVOGKNFAADTKN-UGKGYDQZSA-N 1 3 351.494 3.290 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCNc3ccccc32)C1 ZINC000193277518 497339317 /nfs/dbraw/zinc/33/93/17/497339317.db2.gz CRVOGKNFAADTKN-UGKGYDQZSA-N 1 3 351.494 3.290 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000193305252 497344947 /nfs/dbraw/zinc/34/49/47/497344947.db2.gz FVZTYQAYYQOMFV-CJNGLKHVSA-N 1 3 359.436 3.332 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000279212716 497369240 /nfs/dbraw/zinc/36/92/40/497369240.db2.gz YIBFROMDEBBCAO-UZLBHIALSA-N 1 3 352.482 3.040 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904393 /nfs/dbraw/zinc/90/43/93/505904393.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 1 3 371.569 3.474 20 0 FGADHO CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904397 /nfs/dbraw/zinc/90/43/97/505904397.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 1 3 371.569 3.474 20 0 FGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000279472351 497448441 /nfs/dbraw/zinc/44/84/41/497448441.db2.gz KCMCMMDQSAECRX-WTOYTKOKSA-N 1 3 354.494 3.119 20 0 FGADHO c1ccc(Sc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123458 497512433 /nfs/dbraw/zinc/51/24/33/497512433.db2.gz MMVIJPUXDWFDGN-LJQANCHMSA-N 1 3 353.535 3.317 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000190651645 497560640 /nfs/dbraw/zinc/56/06/40/497560640.db2.gz QLKUOURNUNAYQG-DBXWQHBBSA-N 1 3 352.563 3.139 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209562 497565232 /nfs/dbraw/zinc/56/52/32/497565232.db2.gz PXQPGIXQFQDDOF-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209562 497565237 /nfs/dbraw/zinc/56/52/37/497565237.db2.gz PXQPGIXQFQDDOF-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272209562 497565245 /nfs/dbraw/zinc/56/52/45/497565245.db2.gz PXQPGIXQFQDDOF-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO COC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000246002819 497594585 /nfs/dbraw/zinc/59/45/85/497594585.db2.gz GPDCODMUXAYVQU-ZRGWGRIASA-N 1 3 356.457 3.131 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262684286 497599829 /nfs/dbraw/zinc/59/98/29/497599829.db2.gz ZTVAHEAKURNAJS-HBFSDRIKSA-N 1 3 357.542 3.354 20 0 FGADHO CC[N@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@H](C)C(C)C ZINC000194406869 497656243 /nfs/dbraw/zinc/65/62/43/497656243.db2.gz RBDFTLZRRPLLGS-LJQANCHMSA-N 1 3 359.558 3.442 20 0 FGADHO CC[N@@H+](CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@H](C)C(C)C ZINC000194406869 497656245 /nfs/dbraw/zinc/65/62/45/497656245.db2.gz RBDFTLZRRPLLGS-LJQANCHMSA-N 1 3 359.558 3.442 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000268020489 497660474 /nfs/dbraw/zinc/66/04/74/497660474.db2.gz VOMFKHWMPTWPLD-UHFFFAOYSA-N 1 3 372.513 3.005 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000268020489 497660482 /nfs/dbraw/zinc/66/04/82/497660482.db2.gz VOMFKHWMPTWPLD-UHFFFAOYSA-N 1 3 372.513 3.005 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246520460 497761218 /nfs/dbraw/zinc/76/12/18/497761218.db2.gz XIUARTCRGLFKJX-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246520460 497761223 /nfs/dbraw/zinc/76/12/23/497761223.db2.gz XIUARTCRGLFKJX-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272995204 497780663 /nfs/dbraw/zinc/78/06/63/497780663.db2.gz QPHYZUMAMRAXIV-SFHVURJKSA-N 1 3 370.541 3.487 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246579363 497780722 /nfs/dbraw/zinc/78/07/22/497780722.db2.gz SBBPGSYGNYDTRT-IFMALSPDSA-N 1 3 365.521 3.447 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246579363 497780723 /nfs/dbraw/zinc/78/07/23/497780723.db2.gz SBBPGSYGNYDTRT-IFMALSPDSA-N 1 3 365.521 3.447 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000246860780 497817374 /nfs/dbraw/zinc/81/73/74/497817374.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000246860780 497817375 /nfs/dbraw/zinc/81/73/75/497817375.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 1 3 372.557 3.202 20 0 FGADHO CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452760 505939245 /nfs/dbraw/zinc/93/92/45/505939245.db2.gz QVPRCIXSNYFZHA-LEWJYISDSA-N 1 3 365.521 3.493 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470371 505947143 /nfs/dbraw/zinc/94/71/43/505947143.db2.gz BVCKQKHOJLCFPA-JOCHJYFZSA-N 1 3 369.557 3.029 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470371 505947146 /nfs/dbraw/zinc/94/71/46/505947146.db2.gz BVCKQKHOJLCFPA-JOCHJYFZSA-N 1 3 369.557 3.029 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242584 505949959 /nfs/dbraw/zinc/94/99/59/505949959.db2.gz VFXZGOCMBSCHLH-OLMNPRSZSA-N 1 3 360.452 3.393 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000575242586 505950049 /nfs/dbraw/zinc/95/00/49/505950049.db2.gz VFXZGOCMBSCHLH-ZTFGCOKTSA-N 1 3 360.452 3.393 20 0 FGADHO C[C@@H]1CN(CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319208 505960850 /nfs/dbraw/zinc/96/08/50/505960850.db2.gz MAXGZFSQNAWQEM-NSHGMRRFSA-N 1 3 367.578 3.070 20 0 FGADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000575377410 505970030 /nfs/dbraw/zinc/97/00/30/505970030.db2.gz PQUGFXBPDRIYMO-UHFFFAOYSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483603 505979928 /nfs/dbraw/zinc/97/99/28/505979928.db2.gz HJHSAIPQGXFNER-HSQYWUDLSA-N 1 3 365.521 3.339 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364767641 498133608 /nfs/dbraw/zinc/13/36/08/498133608.db2.gz BOSMWSVQTVGLSK-JRGCBEDISA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364767641 498133613 /nfs/dbraw/zinc/13/36/13/498133613.db2.gz BOSMWSVQTVGLSK-JRGCBEDISA-N 1 3 370.541 3.138 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686285 505993717 /nfs/dbraw/zinc/99/37/17/505993717.db2.gz JNERRXKQMJFYOE-ZFWWWQNUSA-N 1 3 361.313 3.055 20 0 FGADHO CN1CCC[C@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486897 505999606 /nfs/dbraw/zinc/99/96/06/505999606.db2.gz INBXPRHVAXFWSU-CRAIPNDOSA-N 1 3 371.447 3.334 20 0 FGADHO Cc1nc2ccc(Br)cc2c(NC[C@](C)(O)C[NH+](C)C)c1C ZINC000301782934 498262328 /nfs/dbraw/zinc/26/23/28/498262328.db2.gz TWESWNJEJCKQIX-KRWDZBQOSA-N 1 3 366.303 3.339 20 0 FGADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289799201 498298712 /nfs/dbraw/zinc/29/87/12/498298712.db2.gz SFKRKEFFPMAKGP-HZEGPAAWSA-N 1 3 368.525 3.233 20 0 FGADHO C[C@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931868 498357111 /nfs/dbraw/zinc/35/71/11/498357111.db2.gz YYQHILXDSZZQSS-OZROYSPXSA-N 1 3 368.525 3.140 20 0 FGADHO C[C@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289931868 498357119 /nfs/dbraw/zinc/35/71/19/498357119.db2.gz YYQHILXDSZZQSS-OZROYSPXSA-N 1 3 368.525 3.140 20 0 FGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286345683 498371553 /nfs/dbraw/zinc/37/15/53/498371553.db2.gz FHVLDCVZMSHGLT-YIYNPQHWSA-N 1 3 350.453 3.336 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000569846273 506029670 /nfs/dbraw/zinc/02/96/70/506029670.db2.gz HQDQXWGNNBYNQP-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000297344676 498413852 /nfs/dbraw/zinc/41/38/52/498413852.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000297344676 498413856 /nfs/dbraw/zinc/41/38/56/498413856.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 1 3 372.557 3.154 20 0 FGADHO Cn1c(CNC2CCN(c3cc[nH+]cc3)CC2)nc2cccc(Cl)c21 ZINC000297347914 498414459 /nfs/dbraw/zinc/41/44/59/498414459.db2.gz DYZULRHXXUDODB-UHFFFAOYSA-N 1 3 355.873 3.380 20 0 FGADHO Cc1ccc(-c2ncc(C[NH2+]CCN3CCN(C)C(C)(C)C3)s2)cc1 ZINC000282305223 498459822 /nfs/dbraw/zinc/45/98/22/498459822.db2.gz KBAIUPKMSQMSSF-UHFFFAOYSA-N 1 3 358.555 3.234 20 0 FGADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420327 498514136 /nfs/dbraw/zinc/51/41/36/498514136.db2.gz WTTHSICGYCRYIO-KRWDZBQOSA-N 1 3 355.448 3.165 20 0 FGADHO CCN(CC)C(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297669927 498531817 /nfs/dbraw/zinc/53/18/17/498531817.db2.gz OMRNSJBMRPCJFM-UHFFFAOYSA-N 1 3 366.509 3.322 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000576009284 506055295 /nfs/dbraw/zinc/05/52/95/506055295.db2.gz CZRZESDSXRJMAC-FQEVSTJZSA-N 1 3 355.526 3.196 20 0 FGADHO C[C@@H](CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000569961185 506057164 /nfs/dbraw/zinc/05/71/64/506057164.db2.gz ADBOSMJQFJZUNH-RDJZCZTQSA-N 1 3 358.448 3.463 20 0 FGADHO Cc1nccn1CCC[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000290620614 498621756 /nfs/dbraw/zinc/62/17/56/498621756.db2.gz XGENPKMSDUXWOA-UHFFFAOYSA-N 1 3 369.557 3.244 20 0 FGADHO Cc1nccn1CCC[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000290620614 498621761 /nfs/dbraw/zinc/62/17/61/498621761.db2.gz XGENPKMSDUXWOA-UHFFFAOYSA-N 1 3 369.557 3.244 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000302959683 498634149 /nfs/dbraw/zinc/63/41/49/498634149.db2.gz FUVKUXWZVYJIGW-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000302959683 498634156 /nfs/dbraw/zinc/63/41/56/498634156.db2.gz FUVKUXWZVYJIGW-OALUTQOASA-N 1 3 352.567 3.061 20 0 FGADHO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298008978 498636891 /nfs/dbraw/zinc/63/68/91/498636891.db2.gz CABXHCZXMUDFIA-INIZCTEOSA-N 1 3 373.522 3.195 20 0 FGADHO CCn1ccnc1[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000298151722 498678338 /nfs/dbraw/zinc/67/83/38/498678338.db2.gz RQZWQJCVODOYQS-FQEVSTJZSA-N 1 3 369.513 3.024 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000365966178 498715745 /nfs/dbraw/zinc/71/57/45/498715745.db2.gz XUELDUOAAOFERY-UHFFFAOYSA-N 1 3 365.521 3.485 20 0 FGADHO CN1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967034 498716597 /nfs/dbraw/zinc/71/65/97/498716597.db2.gz GASHZTWOVBCMDM-YLJYHZDGSA-N 1 3 363.933 3.181 20 0 FGADHO FC(F)(F)c1cnc(OCCNC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000298424619 498767198 /nfs/dbraw/zinc/76/71/98/498767198.db2.gz MTWKGRVLQNVIFI-UHFFFAOYSA-N 1 3 363.811 3.349 20 0 FGADHO CCOc1c(Br)cc(C[NH2+]C[C@@H](C)CN(C)C)cc1OC ZINC000314387557 498775091 /nfs/dbraw/zinc/77/50/91/498775091.db2.gz RRKLCAFHZPTTJA-GFCCVEGCSA-N 1 3 359.308 3.144 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1(C)C ZINC000294714155 498780630 /nfs/dbraw/zinc/78/06/30/498780630.db2.gz CAXOSLFKBLDQHJ-OAQYLSRUSA-N 1 3 359.558 3.464 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1(C)C ZINC000294714155 498780638 /nfs/dbraw/zinc/78/06/38/498780638.db2.gz CAXOSLFKBLDQHJ-OAQYLSRUSA-N 1 3 359.558 3.464 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000366260544 498848059 /nfs/dbraw/zinc/84/80/59/498848059.db2.gz RXYGZOYFNZZZPH-DLBZAZTESA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366260544 498848065 /nfs/dbraw/zinc/84/80/65/498848065.db2.gz RXYGZOYFNZZZPH-DLBZAZTESA-N 1 3 361.917 3.161 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000366260544 498848069 /nfs/dbraw/zinc/84/80/69/498848069.db2.gz RXYGZOYFNZZZPH-DLBZAZTESA-N 1 3 361.917 3.161 20 0 FGADHO Cn1c2ccc(CNC[C@H]3CC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275130 498852973 /nfs/dbraw/zinc/85/29/73/498852973.db2.gz ARPZSJMBIVNUHC-KDOFPFPSSA-N 1 3 373.547 3.444 20 0 FGADHO Cn1c2ccc(CNC[C@H]3CC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275130 498852981 /nfs/dbraw/zinc/85/29/81/498852981.db2.gz ARPZSJMBIVNUHC-KDOFPFPSSA-N 1 3 373.547 3.444 20 0 FGADHO COc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971262 506102591 /nfs/dbraw/zinc/10/25/91/506102591.db2.gz OOJXTJMCAFDIEL-HNNXBMFYSA-N 1 3 354.441 3.460 20 0 FGADHO CCc1cccc(N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000579141639 506103272 /nfs/dbraw/zinc/10/32/72/506103272.db2.gz NDRLLRMQFRFQRI-UHFFFAOYSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630303 498882022 /nfs/dbraw/zinc/88/20/22/498882022.db2.gz JFDOLJWSLMVYCJ-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630303 498882027 /nfs/dbraw/zinc/88/20/27/498882027.db2.gz JFDOLJWSLMVYCJ-BOFXEDATSA-N 1 3 360.546 3.273 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3c(F)cccc3F)CC2)CC1 ZINC000363663776 498930480 /nfs/dbraw/zinc/93/04/80/498930480.db2.gz VADJGZACZIWZDA-UHFFFAOYSA-N 1 3 351.485 3.251 20 0 FGADHO Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000291422624 498934284 /nfs/dbraw/zinc/93/42/84/498934284.db2.gz ICWXHUFJQAKCOL-WOJBJXKFSA-N 1 3 359.420 3.448 20 0 FGADHO Cc1ccc(NC(=O)CC[NH2+]CC2CCN(Cc3cccs3)CC2)nc1 ZINC000573111028 506121474 /nfs/dbraw/zinc/12/14/74/506121474.db2.gz KOSWQEQJBMOUFJ-UHFFFAOYSA-N 1 3 372.538 3.282 20 0 FGADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CC3CCN(C)CC3)cc2)C1 ZINC000291902660 499097761 /nfs/dbraw/zinc/09/77/61/499097761.db2.gz KDOADNIZHRYSQC-QGZVFWFLSA-N 1 3 359.514 3.078 20 0 FGADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3CCN(C)CC3)cc2)C1 ZINC000291902660 499097765 /nfs/dbraw/zinc/09/77/65/499097765.db2.gz KDOADNIZHRYSQC-QGZVFWFLSA-N 1 3 359.514 3.078 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000364046343 499098437 /nfs/dbraw/zinc/09/84/37/499098437.db2.gz BZKMIGMDQHFWQF-NMLACTOBSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@](C)(O)c1cccc(Cl)c1 ZINC000364046343 499098442 /nfs/dbraw/zinc/09/84/42/499098442.db2.gz BZKMIGMDQHFWQF-NMLACTOBSA-N 1 3 366.933 3.027 20 0 FGADHO C[N@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2ccncc2)CC1 ZINC000372720172 499165932 /nfs/dbraw/zinc/16/59/32/499165932.db2.gz ACTNOZSEMXXEHF-UHFFFAOYSA-N 1 3 363.399 3.147 20 0 FGADHO C[N@@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2ccncc2)CC1 ZINC000372720172 499165934 /nfs/dbraw/zinc/16/59/34/499165934.db2.gz ACTNOZSEMXXEHF-UHFFFAOYSA-N 1 3 363.399 3.147 20 0 FGADHO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@H](CN3CCCCC3)C2)CC1 ZINC000367259982 499169646 /nfs/dbraw/zinc/16/96/46/499169646.db2.gz YXAWBNHMPFLAAV-OAQYLSRUSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@H](CN3CCCCC3)C2)CC1 ZINC000367259982 499169649 /nfs/dbraw/zinc/16/96/49/499169649.db2.gz YXAWBNHMPFLAAV-OAQYLSRUSA-N 1 3 363.590 3.469 20 0 FGADHO CC(C)CC(=O)N1CCC(CN2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259982 499169650 /nfs/dbraw/zinc/16/96/50/499169650.db2.gz YXAWBNHMPFLAAV-OAQYLSRUSA-N 1 3 363.590 3.469 20 0 FGADHO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000372780779 499174476 /nfs/dbraw/zinc/17/44/76/499174476.db2.gz LGYQOZFEOGXLLX-WIYYLYMNSA-N 1 3 359.558 3.128 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000372780779 499174477 /nfs/dbraw/zinc/17/44/77/499174477.db2.gz LGYQOZFEOGXLLX-WIYYLYMNSA-N 1 3 359.558 3.128 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000367295288 499175236 /nfs/dbraw/zinc/17/52/36/499175236.db2.gz IWFYTSULHVKLAF-SFHVURJKSA-N 1 3 370.541 3.476 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000367295288 499175240 /nfs/dbraw/zinc/17/52/40/499175240.db2.gz IWFYTSULHVKLAF-SFHVURJKSA-N 1 3 370.541 3.476 20 0 FGADHO CC(C)N1CC[NH+](C2CCN(c3ccnc4cc(F)ccc43)CC2)CC1 ZINC000372864134 499186232 /nfs/dbraw/zinc/18/62/32/499186232.db2.gz TYIMGFIWWXXPEA-UHFFFAOYSA-N 1 3 356.489 3.369 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(OC(F)F)c1 ZINC000370638199 499238412 /nfs/dbraw/zinc/23/84/12/499238412.db2.gz WOHOUAHZHFRPKK-ZBFHGGJFSA-N 1 3 353.457 3.107 20 0 FGADHO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101820 499264141 /nfs/dbraw/zinc/26/41/41/499264141.db2.gz LQYAVKQBNLCZCD-MUGJNUQGSA-N 1 3 350.510 3.157 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000368101821 499264292 /nfs/dbraw/zinc/26/42/92/499264292.db2.gz LQYAVKQBNLCZCD-NMLBUPMWSA-N 1 3 350.510 3.157 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199285 506141665 /nfs/dbraw/zinc/14/16/65/506141665.db2.gz SCQGGGNTUOKMSV-ABSDTBQOSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199285 506141668 /nfs/dbraw/zinc/14/16/68/506141668.db2.gz SCQGGGNTUOKMSV-ABSDTBQOSA-N 1 3 368.949 3.489 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199285 506141671 /nfs/dbraw/zinc/14/16/71/506141671.db2.gz SCQGGGNTUOKMSV-ABSDTBQOSA-N 1 3 368.949 3.489 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(Cl)nc1 ZINC000371158478 499294581 /nfs/dbraw/zinc/29/45/81/499294581.db2.gz UCNVIUZBTIBGKV-UHFFFAOYSA-N 1 3 364.965 3.363 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371302990 499307735 /nfs/dbraw/zinc/30/77/35/499307735.db2.gz LXUAVRRDRQQFBO-SFTDATJTSA-N 1 3 359.558 3.030 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000369047787 499360339 /nfs/dbraw/zinc/36/03/39/499360339.db2.gz LMXVPFQTIIQNEV-QFIPXVFZSA-N 1 3 372.557 3.071 20 0 FGADHO COc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1OC ZINC000371900338 499376580 /nfs/dbraw/zinc/37/65/80/499376580.db2.gz XKFLHEWGNZOPAZ-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO COc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1OC ZINC000371900338 499376582 /nfs/dbraw/zinc/37/65/82/499376582.db2.gz XKFLHEWGNZOPAZ-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO CCC1(CNC(=O)NC2CCN(C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000372219488 499410300 /nfs/dbraw/zinc/41/03/00/499410300.db2.gz UBDYBPNKZRVDAM-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000373025734 499447858 /nfs/dbraw/zinc/44/78/58/499447858.db2.gz LOLISVAYOMRXHO-UHFFFAOYSA-N 1 3 351.494 3.143 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448436 499470362 /nfs/dbraw/zinc/47/03/62/499470362.db2.gz LEUAFKXRJNTWNL-YSIASYRMSA-N 1 3 368.500 3.300 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448436 499470363 /nfs/dbraw/zinc/47/03/63/499470363.db2.gz LEUAFKXRJNTWNL-YSIASYRMSA-N 1 3 368.500 3.300 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000378339141 499503606 /nfs/dbraw/zinc/50/36/06/499503606.db2.gz DQRFIGRWRKBDJP-SIKLNZKXSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000378339141 499503607 /nfs/dbraw/zinc/50/36/07/499503607.db2.gz DQRFIGRWRKBDJP-SIKLNZKXSA-N 1 3 371.569 3.466 20 0 FGADHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000375310289 499505978 /nfs/dbraw/zinc/50/59/78/499505978.db2.gz PXFOWTLIOLOWOO-FQEVSTJZSA-N 1 3 354.498 3.060 20 0 FGADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000380460990 499543626 /nfs/dbraw/zinc/54/36/26/499543626.db2.gz PDHDXLZUJRPUNR-VQIMIIECSA-N 1 3 369.509 3.120 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000375814140 499558123 /nfs/dbraw/zinc/55/81/23/499558123.db2.gz KUOXUVPYUQDBLO-CRAIPNDOSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000375814140 499558124 /nfs/dbraw/zinc/55/81/24/499558124.db2.gz KUOXUVPYUQDBLO-CRAIPNDOSA-N 1 3 371.447 3.043 20 0 FGADHO OC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCN(Cc2ccccc2)CC1 ZINC000397491180 499563913 /nfs/dbraw/zinc/56/39/13/499563913.db2.gz JGWQTVKGHIVQPC-NRFANRHFSA-N 1 3 354.469 3.430 20 0 FGADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397554094 499564151 /nfs/dbraw/zinc/56/41/51/499564151.db2.gz JUTFRNFGTIFMRN-NRFANRHFSA-N 1 3 357.542 3.313 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397959356 499565066 /nfs/dbraw/zinc/56/50/66/499565066.db2.gz DCWQVHBKICWDCE-CEMLEFRQSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397959356 499565068 /nfs/dbraw/zinc/56/50/68/499565068.db2.gz DCWQVHBKICWDCE-CEMLEFRQSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCC12CCN(C)CC2)c1ccccc1 ZINC000376547067 499617374 /nfs/dbraw/zinc/61/73/74/499617374.db2.gz GXNPSNHGMVTFLG-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO COc1ccc2ccccc2c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000377240621 499673142 /nfs/dbraw/zinc/67/31/42/499673142.db2.gz DLQCAKPLWOXILZ-GCJKJVERSA-N 1 3 367.537 3.306 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377320076 499679699 /nfs/dbraw/zinc/67/96/99/499679699.db2.gz GSEONSPDRFIWBY-NNWRFLSQSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377320076 499679700 /nfs/dbraw/zinc/67/97/00/499679700.db2.gz GSEONSPDRFIWBY-NNWRFLSQSA-N 1 3 363.505 3.123 20 0 FGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415316 499737490 /nfs/dbraw/zinc/73/74/90/499737490.db2.gz MVJSFGRJQSBJFB-PGRDOPGGSA-N 1 3 352.526 3.001 20 0 FGADHO Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415316 499737491 /nfs/dbraw/zinc/73/74/91/499737491.db2.gz MVJSFGRJQSBJFB-PGRDOPGGSA-N 1 3 352.526 3.001 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377908164 499747261 /nfs/dbraw/zinc/74/72/61/499747261.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 1 3 357.542 3.401 20 0 FGADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377908164 499747262 /nfs/dbraw/zinc/74/72/62/499747262.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 1 3 357.542 3.401 20 0 FGADHO CN1CCC(CNCc2ccnc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000378135085 499760418 /nfs/dbraw/zinc/76/04/18/499760418.db2.gz KASWZKHJYAMOBL-UHFFFAOYSA-N 1 3 371.356 3.428 20 0 FGADHO C[NH+]1CCC(CNCc2ccnc(Cl)c2Cl)(N2CCCCC2)CC1 ZINC000378135085 499760419 /nfs/dbraw/zinc/76/04/19/499760419.db2.gz KASWZKHJYAMOBL-UHFFFAOYSA-N 1 3 371.356 3.428 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1C(C)(C)C ZINC000414181714 499766268 /nfs/dbraw/zinc/76/62/68/499766268.db2.gz CHKYDXHZNUAHHV-IBGZPJMESA-N 1 3 373.585 3.431 20 0 FGADHO CCc1ncc(C[NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)cn1 ZINC000414296855 499775035 /nfs/dbraw/zinc/77/50/35/499775035.db2.gz HJMZXCVHJFVEOB-UHFFFAOYSA-N 1 3 354.498 3.049 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000414294441 499775164 /nfs/dbraw/zinc/77/51/64/499775164.db2.gz QCGWPUPVBUZUGQ-DWQJTFDBSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000414294441 499775165 /nfs/dbraw/zinc/77/51/65/499775165.db2.gz QCGWPUPVBUZUGQ-DWQJTFDBSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000414294441 499775166 /nfs/dbraw/zinc/77/51/66/499775166.db2.gz QCGWPUPVBUZUGQ-DWQJTFDBSA-N 1 3 368.496 3.402 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000414308705 499776349 /nfs/dbraw/zinc/77/63/49/499776349.db2.gz IQNUQCUWJKASQU-LPHOPBHVSA-N 1 3 360.473 3.193 20 0 FGADHO COc1cccc2c1CC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311765 499776556 /nfs/dbraw/zinc/77/65/56/499776556.db2.gz VGSBJXYZIMFHSX-OAQYLSRUSA-N 1 3 366.505 3.299 20 0 FGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331848 499778682 /nfs/dbraw/zinc/77/86/82/499778682.db2.gz UNADYOFFHGPJBN-IAGOWNOFSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000414346379 499779594 /nfs/dbraw/zinc/77/95/94/499779594.db2.gz UTCAWHRUFFRYRT-WWMYMODYSA-N 1 3 357.542 3.298 20 0 FGADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1 ZINC000414412276 499788661 /nfs/dbraw/zinc/78/86/61/499788661.db2.gz RDDQHRFSGNYQIL-UHFFFAOYSA-N 1 3 374.460 3.472 20 0 FGADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC/C=C\c1ccncc1 ZINC000414521349 499802632 /nfs/dbraw/zinc/80/26/32/499802632.db2.gz BPINCMFADBFLJM-BTOANGARSA-N 1 3 351.494 3.222 20 0 FGADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC/C=C\c1ccncc1 ZINC000414521349 499802633 /nfs/dbraw/zinc/80/26/33/499802633.db2.gz BPINCMFADBFLJM-BTOANGARSA-N 1 3 351.494 3.222 20 0 FGADHO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697770 499820910 /nfs/dbraw/zinc/82/09/10/499820910.db2.gz QJGXBAKVFDWCFS-DNVCBOLYSA-N 1 3 351.922 3.166 20 0 FGADHO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697770 499820911 /nfs/dbraw/zinc/82/09/11/499820911.db2.gz QJGXBAKVFDWCFS-DNVCBOLYSA-N 1 3 351.922 3.166 20 0 FGADHO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697772 499820957 /nfs/dbraw/zinc/82/09/57/499820957.db2.gz QJGXBAKVFDWCFS-KXBFYZLASA-N 1 3 351.922 3.166 20 0 FGADHO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697772 499820959 /nfs/dbraw/zinc/82/09/59/499820959.db2.gz QJGXBAKVFDWCFS-KXBFYZLASA-N 1 3 351.922 3.166 20 0 FGADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732577 499824099 /nfs/dbraw/zinc/82/40/99/499824099.db2.gz CTOPMMZSNRPOPJ-GJZGRUSLSA-N 1 3 371.447 3.286 20 0 FGADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732577 499824100 /nfs/dbraw/zinc/82/41/00/499824100.db2.gz CTOPMMZSNRPOPJ-GJZGRUSLSA-N 1 3 371.447 3.286 20 0 FGADHO C[C@@H]1C[C@@H](CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749410 499826552 /nfs/dbraw/zinc/82/65/52/499826552.db2.gz PUBJCKOIZNNKTE-MSOLQXFVSA-N 1 3 370.566 3.316 20 0 FGADHO C[C@@H]1C[C@H](CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC[NH2+]1 ZINC000414749411 499826588 /nfs/dbraw/zinc/82/65/88/499826588.db2.gz PUBJCKOIZNNKTE-QZTJIDSGSA-N 1 3 370.566 3.316 20 0 FGADHO COc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780317 499830558 /nfs/dbraw/zinc/83/05/58/499830558.db2.gz LIHGHHSCXSBPND-LSDHHAIUSA-N 1 3 353.304 3.279 20 0 FGADHO Cc1cc(Br)cn2c(CN[C@@H]3CCCC[C@H]3C[NH3+])cnc12 ZINC000414796807 499832222 /nfs/dbraw/zinc/83/22/22/499832222.db2.gz IASAGBFYIQHQKZ-SWLSCSKDSA-N 1 3 351.292 3.012 20 0 FGADHO CCCC[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819037 499834294 /nfs/dbraw/zinc/83/42/94/499834294.db2.gz XQNHUGJCZLCTNI-IUODEOHRSA-N 1 3 356.308 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858883 499838489 /nfs/dbraw/zinc/83/84/89/499838489.db2.gz STPOBXPVJZYQNY-HZSPNIEDSA-N 1 3 357.420 3.400 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414917933 499844788 /nfs/dbraw/zinc/84/47/88/499844788.db2.gz SNCYAYHHODTWHO-GUYCJALGSA-N 1 3 368.319 3.146 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414917933 499844790 /nfs/dbraw/zinc/84/47/90/499844790.db2.gz SNCYAYHHODTWHO-GUYCJALGSA-N 1 3 368.319 3.146 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414967199 499849964 /nfs/dbraw/zinc/84/99/64/499849964.db2.gz GZYDGTKWZINFLU-SFHVURJKSA-N 1 3 355.482 3.291 20 0 FGADHO COc1cc(Br)c(CNCCC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000414972067 499850185 /nfs/dbraw/zinc/85/01/85/499850185.db2.gz LVOHNXRKHXQJAD-GFCCVEGCSA-N 1 3 357.292 3.088 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414986901 499851717 /nfs/dbraw/zinc/85/17/17/499851717.db2.gz CVGYYJHAGRLMCJ-RYUDHWBXSA-N 1 3 357.292 3.073 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004145 499854074 /nfs/dbraw/zinc/85/40/74/499854074.db2.gz NWFXCVPUPQSFHY-IUODEOHRSA-N 1 3 363.303 3.446 20 0 FGADHO COc1ccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075305 499861034 /nfs/dbraw/zinc/86/10/34/499861034.db2.gz BGOPMCMJKNYDIA-NVXWUHKLSA-N 1 3 350.503 3.155 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415077706 499861107 /nfs/dbraw/zinc/86/11/07/499861107.db2.gz HWPKJANFUIFPRC-SJLPKXTDSA-N 1 3 361.505 3.331 20 0 FGADHO C[C@]1(CNCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]C1 ZINC000415076880 499861244 /nfs/dbraw/zinc/86/12/44/499861244.db2.gz BPMVGLTUPDXUSC-KRWDZBQOSA-N 1 3 356.432 3.343 20 0 FGADHO COc1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)ccc1C ZINC000415125804 499867152 /nfs/dbraw/zinc/86/71/52/499867152.db2.gz FLHZNIVLBQIVHF-UHFFFAOYSA-N 1 3 353.510 3.087 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000415201387 499876533 /nfs/dbraw/zinc/87/65/33/499876533.db2.gz KOXQAMDGNSJJPC-ICSRJNTNSA-N 1 3 355.526 3.126 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000415917879 499928290 /nfs/dbraw/zinc/92/82/90/499928290.db2.gz JTRBXJZDWFTEDG-OXJNMPFZSA-N 1 3 352.482 3.363 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967335 499935107 /nfs/dbraw/zinc/93/51/07/499935107.db2.gz HRIXXRQMULVUIT-GFCCVEGCSA-N 1 3 360.424 3.406 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415967335 499935108 /nfs/dbraw/zinc/93/51/08/499935108.db2.gz HRIXXRQMULVUIT-GFCCVEGCSA-N 1 3 360.424 3.406 20 0 FGADHO CC1CC[NH+](CCCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415972044 499935637 /nfs/dbraw/zinc/93/56/37/499935637.db2.gz OMQOFWKHJKYJHN-UHFFFAOYSA-N 1 3 372.435 3.408 20 0 FGADHO CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000415980237 499936762 /nfs/dbraw/zinc/93/67/62/499936762.db2.gz SDBNIXYTUBCUFF-FQEVSTJZSA-N 1 3 352.482 3.274 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417036119 499954498 /nfs/dbraw/zinc/95/44/98/499954498.db2.gz SOIGUUYJLSVIHP-OXJNMPFZSA-N 1 3 354.498 3.013 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000417063203 499961584 /nfs/dbraw/zinc/96/15/84/499961584.db2.gz IBBKMVYPTBAJME-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957123 499968431 /nfs/dbraw/zinc/96/84/31/499968431.db2.gz ZVUZTYTZIHPETR-ZHALLVOQSA-N 1 3 360.546 3.097 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)CC(C)C ZINC000570438147 506167838 /nfs/dbraw/zinc/16/78/38/506167838.db2.gz RVZZYTWWHFUUJL-IEBWSBKVSA-N 1 3 354.583 3.115 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000416215883 499983863 /nfs/dbraw/zinc/98/38/63/499983863.db2.gz PICOTBOZDHMCMF-UHFFFAOYSA-N 1 3 351.494 3.178 20 0 FGADHO CN(C)C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235216 499989220 /nfs/dbraw/zinc/98/92/20/499989220.db2.gz SGDDTSQWNLFKJB-PMACEKPBSA-N 1 3 357.473 3.238 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)c2ccccc2)CC1 ZINC000417208676 500005768 /nfs/dbraw/zinc/00/57/68/500005768.db2.gz BIVFUJDQLMPUCJ-CTNGQTDRSA-N 1 3 372.557 3.230 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000417310807 500036620 /nfs/dbraw/zinc/03/66/20/500036620.db2.gz KXTPGIIZJBLONF-HBMCJLEFSA-N 1 3 372.557 3.161 20 0 FGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429416489 500073842 /nfs/dbraw/zinc/07/38/42/500073842.db2.gz DBDUHJYDWJJWEF-PXNSSMCTSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCN(c3cccnn3)CC2)CC1 ZINC000429416489 500073846 /nfs/dbraw/zinc/07/38/46/500073846.db2.gz DBDUHJYDWJJWEF-PXNSSMCTSA-N 1 3 357.546 3.078 20 0 FGADHO CC(C)(C)N1CC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000425418148 500098845 /nfs/dbraw/zinc/09/88/45/500098845.db2.gz ITOSRVXZDWWJLE-FQEVSTJZSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)(C)N1CC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000425418148 500098850 /nfs/dbraw/zinc/09/88/50/500098850.db2.gz ITOSRVXZDWWJLE-FQEVSTJZSA-N 1 3 369.553 3.374 20 0 FGADHO c1ccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cn2)nc1 ZINC000425421011 500100121 /nfs/dbraw/zinc/10/01/21/500100121.db2.gz QDELDLIETXSBBH-UHFFFAOYSA-N 1 3 366.509 3.220 20 0 FGADHO CO[C@@H](CN1CCC[C@@]2(CCC[N@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440056 500106931 /nfs/dbraw/zinc/10/69/31/500106931.db2.gz COEVCVKPXGPPEQ-QHAWAJNXSA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@@H](CN1CCC[C@@]2(CCC[N@@H+](C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440056 500106933 /nfs/dbraw/zinc/10/69/33/500106933.db2.gz COEVCVKPXGPPEQ-QHAWAJNXSA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@@H](C[N@H+]1CCC[C@@]2(CCCN(C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440056 500106935 /nfs/dbraw/zinc/10/69/35/500106935.db2.gz COEVCVKPXGPPEQ-QHAWAJNXSA-N 1 3 350.547 3.014 20 0 FGADHO CO[C@@H](C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H](OC)C3CC3)C2)C1)C1CC1 ZINC000425440056 500106937 /nfs/dbraw/zinc/10/69/37/500106937.db2.gz COEVCVKPXGPPEQ-QHAWAJNXSA-N 1 3 350.547 3.014 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000416789590 500120785 /nfs/dbraw/zinc/12/07/85/500120785.db2.gz DQJZHKDCFUAJNC-SFHVURJKSA-N 1 3 360.546 3.418 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000416840300 500135330 /nfs/dbraw/zinc/13/53/30/500135330.db2.gz LATJGJBAYAIWFW-CRAIPNDOSA-N 1 3 372.538 3.404 20 0 FGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000429762965 500139433 /nfs/dbraw/zinc/13/94/33/500139433.db2.gz HEYKBVQCHAVYIY-DSKINZAPSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417675165 500146163 /nfs/dbraw/zinc/14/61/63/500146163.db2.gz BHCQVJGYOVLRNP-YLJYHZDGSA-N 1 3 374.573 3.276 20 0 FGADHO COc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000414082472 500149077 /nfs/dbraw/zinc/14/90/77/500149077.db2.gz VDAOWAAUYDWVJG-KRWDZBQOSA-N 1 3 369.509 3.146 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833824 500180686 /nfs/dbraw/zinc/18/06/86/500180686.db2.gz UWGMTOLRNMWWAW-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012139 500184086 /nfs/dbraw/zinc/18/40/86/500184086.db2.gz VWFIMAWVMINTGK-DLBZAZTESA-N 1 3 354.564 3.146 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000418037904 500218149 /nfs/dbraw/zinc/21/81/49/500218149.db2.gz DQIYIWCQGFPZAN-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045550 500219878 /nfs/dbraw/zinc/21/98/78/500219878.db2.gz ONSZVIIZVWPNRE-JOCHJYFZSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418046185 500220683 /nfs/dbraw/zinc/22/06/83/500220683.db2.gz PYWGWQBNRDBZIS-TZIWHRDSSA-N 1 3 360.546 3.056 20 0 FGADHO CC1(C)C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071387 500225478 /nfs/dbraw/zinc/22/54/78/500225478.db2.gz WGGBRVSTPMUMQP-VQTJNVASSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071387 500225481 /nfs/dbraw/zinc/22/54/81/500225481.db2.gz WGGBRVSTPMUMQP-VQTJNVASSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071387 500225483 /nfs/dbraw/zinc/22/54/83/500225483.db2.gz WGGBRVSTPMUMQP-VQTJNVASSA-N 1 3 358.526 3.072 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179579 500243321 /nfs/dbraw/zinc/24/33/21/500243321.db2.gz JNJGACBGSKTACB-MAUKXSAKSA-N 1 3 366.937 3.022 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418211836 500249637 /nfs/dbraw/zinc/24/96/37/500249637.db2.gz IUXVECJSJYYKFQ-RLLQIKCJSA-N 1 3 360.546 3.059 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503849 500285782 /nfs/dbraw/zinc/28/57/82/500285782.db2.gz ZUCJJLGKTPIHPI-UTKZUKDTSA-N 1 3 368.525 3.213 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503849 500285785 /nfs/dbraw/zinc/28/57/85/500285785.db2.gz ZUCJJLGKTPIHPI-UTKZUKDTSA-N 1 3 368.525 3.213 20 0 FGADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418512980 500286698 /nfs/dbraw/zinc/28/66/98/500286698.db2.gz FOMPYCRHWDAWDO-SYYKKAFVSA-N 1 3 372.557 3.243 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719923 500289038 /nfs/dbraw/zinc/28/90/38/500289038.db2.gz RQDAAQSGHGNCLW-CLAROIROSA-N 1 3 359.558 3.206 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758142 500294289 /nfs/dbraw/zinc/29/42/89/500294289.db2.gz NOLMECKWILWVEQ-CBPXPLCBSA-N 1 3 357.542 3.342 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762547 500295182 /nfs/dbraw/zinc/29/51/82/500295182.db2.gz NXTNDNOBQBAMKY-PBHICJAKSA-N 1 3 356.432 3.471 20 0 FGADHO CCOc1c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328231 506187912 /nfs/dbraw/zinc/18/79/12/506187912.db2.gz QLTZMXIPZGCBEC-IBGZPJMESA-N 1 3 362.562 3.410 20 0 FGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422813667 500301089 /nfs/dbraw/zinc/30/10/89/500301089.db2.gz YKHHXKGTUWPYFA-YHINDDMVSA-N 1 3 358.526 3.209 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418658154 500302442 /nfs/dbraw/zinc/30/24/42/500302442.db2.gz JDYKGAZBIPTMBE-IBGZPJMESA-N 1 3 374.554 3.302 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422824263 500302652 /nfs/dbraw/zinc/30/26/52/500302652.db2.gz NEPZDYAUDYHBCJ-XHSDSOJGSA-N 1 3 365.905 3.188 20 0 FGADHO CC[C@@H](C(=O)N1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000422849989 500305590 /nfs/dbraw/zinc/30/55/90/500305590.db2.gz VLQBSOPJRBJUCJ-JGUMPVPUSA-N 1 3 355.526 3.044 20 0 FGADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430925809 500307894 /nfs/dbraw/zinc/30/78/94/500307894.db2.gz DWWYIRMUNVTFSH-UWJYYQICSA-N 1 3 373.541 3.198 20 0 FGADHO COc1cc(OC)c(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884265 500310245 /nfs/dbraw/zinc/31/02/45/500310245.db2.gz DQVCAVQOAQCVHT-CVEARBPZSA-N 1 3 350.503 3.155 20 0 FGADHO CCN1CCN(Cc2ccccc2CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422893940 500312134 /nfs/dbraw/zinc/31/21/34/500312134.db2.gz RPWISIMYJYNNSB-GOTSBHOMSA-N 1 3 364.537 3.059 20 0 FGADHO CCN1CCN(Cc2ccccc2CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422893941 500312225 /nfs/dbraw/zinc/31/22/25/500312225.db2.gz RPWISIMYJYNNSB-PKTZIBPZSA-N 1 3 364.537 3.059 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905395 500314315 /nfs/dbraw/zinc/31/43/15/500314315.db2.gz IGPVWGXKXWTYOP-AQOAWAETSA-N 1 3 373.491 3.477 20 0 FGADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422905712 500314348 /nfs/dbraw/zinc/31/43/48/500314348.db2.gz IUEUNAGDTDEJRJ-ZYSHUDEJSA-N 1 3 356.466 3.329 20 0 FGADHO CNC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423270751 500360429 /nfs/dbraw/zinc/36/04/29/500360429.db2.gz IJFWKSRTUBBTBW-STQMWFEESA-N 1 3 360.283 3.057 20 0 FGADHO C[NH2+]C[C@H](C)CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423270751 500360431 /nfs/dbraw/zinc/36/04/31/500360431.db2.gz IJFWKSRTUBBTBW-STQMWFEESA-N 1 3 360.283 3.057 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422956342 500323042 /nfs/dbraw/zinc/32/30/42/500323042.db2.gz PMBWGWXDWAXFQN-DZGCQCFKSA-N 1 3 368.319 3.193 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422956342 500323045 /nfs/dbraw/zinc/32/30/45/500323045.db2.gz PMBWGWXDWAXFQN-DZGCQCFKSA-N 1 3 368.319 3.193 20 0 FGADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423017842 500332006 /nfs/dbraw/zinc/33/20/06/500332006.db2.gz XFVALJRAVNZUJC-RBSFLKMASA-N 1 3 357.420 3.380 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026245 500332752 /nfs/dbraw/zinc/33/27/52/500332752.db2.gz PWLAPDPVNADUFP-VIZZQPHQSA-N 1 3 372.900 3.125 20 0 FGADHO Fc1ccc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028085 500332961 /nfs/dbraw/zinc/33/29/61/500332961.db2.gz FTHQDUFGRXIGLY-OXQOHEQNSA-N 1 3 362.395 3.492 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423044831 500334494 /nfs/dbraw/zinc/33/44/94/500334494.db2.gz BFJSPPOVQFBVIE-GFCCVEGCSA-N 1 3 368.403 3.078 20 0 FGADHO CCN(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CCC(F)(F)F ZINC000423069929 500337944 /nfs/dbraw/zinc/33/79/44/500337944.db2.gz FKZWFSBDHYRBTQ-SJLPKXTDSA-N 1 3 371.447 3.106 20 0 FGADHO Cc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c(-n2cc(Cl)cn2)n1 ZINC000423072549 500338381 /nfs/dbraw/zinc/33/83/81/500338381.db2.gz PROUEQOZCSOJQI-ZDUSSCGKSA-N 1 3 370.888 3.242 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076707 500339399 /nfs/dbraw/zinc/33/93/99/500339399.db2.gz RTCXINMEZZZMET-BMFZPTHFSA-N 1 3 358.448 3.155 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423075633 500339564 /nfs/dbraw/zinc/33/95/64/500339564.db2.gz PABBEHCCBQYHCZ-JSXRDJHFSA-N 1 3 359.583 3.114 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980428 500340774 /nfs/dbraw/zinc/34/07/74/500340774.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980428 500340775 /nfs/dbraw/zinc/34/07/75/500340775.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 1 3 355.526 3.030 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423127274 500345940 /nfs/dbraw/zinc/34/59/40/500345940.db2.gz BTNADDHZKPRKSW-ARFHVFGLSA-N 1 3 352.906 3.410 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423152371 500349306 /nfs/dbraw/zinc/34/93/06/500349306.db2.gz FSCBDMKDYXGXMD-YXJHDRRASA-N 1 3 369.347 3.016 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1OC ZINC000423160197 500349690 /nfs/dbraw/zinc/34/96/90/500349690.db2.gz ZDSBMARTYGKUIT-DLBZAZTESA-N 1 3 350.503 3.142 20 0 FGADHO Brc1cccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423207145 500354539 /nfs/dbraw/zinc/35/45/39/500354539.db2.gz RFFRIRQDRAVXBM-IBGZPJMESA-N 1 3 374.326 3.033 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372184 500368291 /nfs/dbraw/zinc/36/82/91/500368291.db2.gz AWZOMQFEGOCDSP-KSSFIOAISA-N 1 3 351.416 3.327 20 0 FGADHO Cc1ccc([C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374545 500368344 /nfs/dbraw/zinc/36/83/44/500368344.db2.gz CIFYVXSLJGJIEO-IRXDYDNUSA-N 1 3 359.436 3.245 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423378225 500369168 /nfs/dbraw/zinc/36/91/68/500369168.db2.gz WGKJKROMOWUVFW-UHOFOFEASA-N 1 3 372.294 3.472 20 0 FGADHO CCSc1ccccc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399223 500370223 /nfs/dbraw/zinc/37/02/23/500370223.db2.gz WDUNNXBMFNSAFM-BBRMVZONSA-N 1 3 361.477 3.285 20 0 FGADHO COCC1(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423410725 500371749 /nfs/dbraw/zinc/37/17/49/500371749.db2.gz SOSNVVDFWCUPGK-NRFANRHFSA-N 1 3 354.494 3.390 20 0 FGADHO CC1CCN([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320373 500380916 /nfs/dbraw/zinc/38/09/16/500380916.db2.gz LEIRTLJOPKRKCF-PZJWPPBQSA-N 1 3 357.542 3.356 20 0 FGADHO CC[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551552 500384463 /nfs/dbraw/zinc/38/44/63/500384463.db2.gz GCJMLBDCEIMVHA-LJQANCHMSA-N 1 3 356.489 3.255 20 0 FGADHO COc1ccc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000423579069 500386427 /nfs/dbraw/zinc/38/64/27/500386427.db2.gz VQIXEQHWDGMVNS-KRWDZBQOSA-N 1 3 371.500 3.478 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCC1CC[NH2+]CC1 ZINC000423735192 500397637 /nfs/dbraw/zinc/39/76/37/500397637.db2.gz AJOSYJOIRJNSDK-UHFFFAOYSA-N 1 3 351.922 3.010 20 0 FGADHO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000579520701 506193828 /nfs/dbraw/zinc/19/38/28/506193828.db2.gz KRPWEROBGIIOOW-HNAYVOBHSA-N 1 3 358.457 3.420 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)CC1 ZINC000423854879 500412695 /nfs/dbraw/zinc/41/26/95/500412695.db2.gz WDTDDUOEBPDCRD-PZJWPPBQSA-N 1 3 358.530 3.063 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2NCCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910738 500418238 /nfs/dbraw/zinc/41/82/38/500418238.db2.gz VERFXEGEKXWINU-RLLQIKCJSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2NCCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910738 500418242 /nfs/dbraw/zinc/41/82/42/500418242.db2.gz VERFXEGEKXWINU-RLLQIKCJSA-N 1 3 357.542 3.182 20 0 FGADHO CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344270 500445749 /nfs/dbraw/zinc/44/57/49/500445749.db2.gz SJOISRKNTJAWFA-KCLUMXDGSA-N 1 3 357.542 3.354 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388034 500453287 /nfs/dbraw/zinc/45/32/87/500453287.db2.gz KRBQPLCCAGGOFW-RBBKRZOGSA-N 1 3 354.494 3.437 20 0 FGADHO CSc1ccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391106 500454241 /nfs/dbraw/zinc/45/42/41/500454241.db2.gz OARDNSUQZOWMND-APWZRJJASA-N 1 3 350.528 3.006 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288088 500481772 /nfs/dbraw/zinc/48/17/72/500481772.db2.gz KCTRYLXNUUNCGL-ROUUACIJSA-N 1 3 365.521 3.481 20 0 FGADHO CC(C)O[C@@H](CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428301312 500493169 /nfs/dbraw/zinc/49/31/69/500493169.db2.gz OWMTZGYBMNAPDC-UGKGYDQZSA-N 1 3 359.558 3.253 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800754 500504542 /nfs/dbraw/zinc/50/45/42/500504542.db2.gz JRYAQFGDCQWWMM-RLHVNXBHSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425104 500514645 /nfs/dbraw/zinc/51/46/45/500514645.db2.gz LBGFXSFZKZABIV-AEFFLSMTSA-N 1 3 350.503 3.245 20 0 FGADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425104 500514648 /nfs/dbraw/zinc/51/46/48/500514648.db2.gz LBGFXSFZKZABIV-AEFFLSMTSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420919763 500530308 /nfs/dbraw/zinc/53/03/08/500530308.db2.gz SPABSVBKRVLROD-OCDPCBSRSA-N 1 3 372.557 3.384 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545533 /nfs/dbraw/zinc/54/55/33/500545533.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545536 /nfs/dbraw/zinc/54/55/36/500545536.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCCC(=O)c3ccccc3)CC2)CC1 ZINC000420975878 500545787 /nfs/dbraw/zinc/54/57/87/500545787.db2.gz GFRNPNJGRTVSHZ-UHFFFAOYSA-N 1 3 357.542 3.142 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000432781781 500562875 /nfs/dbraw/zinc/56/28/75/500562875.db2.gz PTMPCTVGGPFARD-RBUKOAKNSA-N 1 3 371.569 3.444 20 0 FGADHO C[N@H+](CCC1CCOCC1)[C@H]1CCCN(CCC2CCOCC2)CC1 ZINC000432785225 500563448 /nfs/dbraw/zinc/56/34/48/500563448.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC1CCOCC1)[C@H]1CCCN(CCC2CCOCC2)CC1 ZINC000432785225 500563450 /nfs/dbraw/zinc/56/34/50/500563450.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 1 3 352.563 3.406 20 0 FGADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528252 500618166 /nfs/dbraw/zinc/61/81/66/500618166.db2.gz IGTYNURTHLBQNE-NHCUHLMSSA-N 1 3 357.542 3.403 20 0 FGADHO OCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000447578873 500628360 /nfs/dbraw/zinc/62/83/60/500628360.db2.gz HXTSDWKXZCCHQS-KOUNCHBCSA-N 1 3 366.505 3.343 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866929 500636092 /nfs/dbraw/zinc/63/60/92/500636092.db2.gz JPFANJZJAZTDKS-MRXNPFEDSA-N 1 3 370.463 3.093 20 0 FGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443058421 500670389 /nfs/dbraw/zinc/67/03/89/500670389.db2.gz AAGVMXLENZXTAZ-CYBMUJFWSA-N 1 3 358.313 3.013 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447966828 500697715 /nfs/dbraw/zinc/69/77/15/500697715.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 1 3 374.573 3.446 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447966828 500697717 /nfs/dbraw/zinc/69/77/17/500697717.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 1 3 374.573 3.446 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275578 500703010 /nfs/dbraw/zinc/70/30/10/500703010.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275578 500703013 /nfs/dbraw/zinc/70/30/13/500703013.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 1 3 367.537 3.030 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000570710425 506214830 /nfs/dbraw/zinc/21/48/30/506214830.db2.gz ZTLIRGDSUWHROT-SJORKVTESA-N 1 3 354.922 3.098 20 0 FGADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000434689658 500880129 /nfs/dbraw/zinc/88/01/29/500880129.db2.gz XFJVYXOMXVHGLQ-LJQANCHMSA-N 1 3 353.510 3.275 20 0 FGADHO C[C@@H](CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080919 500919640 /nfs/dbraw/zinc/91/96/40/500919640.db2.gz AHCRFIXMHROQHN-KSZLIROESA-N 1 3 366.571 3.151 20 0 FGADHO C[C@@H](CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080919 500919643 /nfs/dbraw/zinc/91/96/43/500919643.db2.gz AHCRFIXMHROQHN-KSZLIROESA-N 1 3 366.571 3.151 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000607686992 506224663 /nfs/dbraw/zinc/22/46/63/506224663.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000607686992 506224665 /nfs/dbraw/zinc/22/46/65/506224665.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 1 3 373.541 3.106 20 0 FGADHO COCCN1CCC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114697 500928226 /nfs/dbraw/zinc/92/82/26/500928226.db2.gz DQGLEKAJMMRREW-LJQANCHMSA-N 1 3 353.595 3.366 20 0 FGADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145483 500934351 /nfs/dbraw/zinc/93/43/51/500934351.db2.gz LKQHEMSJLBPTMY-NHCUHLMSSA-N 1 3 357.542 3.442 20 0 FGADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000439839153 500944576 /nfs/dbraw/zinc/94/45/76/500944576.db2.gz VBHSGIZKCSEPMP-NRFANRHFSA-N 1 3 373.541 3.040 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203610 500947085 /nfs/dbraw/zinc/94/70/85/500947085.db2.gz HMENSNWPWXEHGO-ZWKOTPCHSA-N 1 3 366.571 3.151 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203610 500947086 /nfs/dbraw/zinc/94/70/86/500947086.db2.gz HMENSNWPWXEHGO-ZWKOTPCHSA-N 1 3 366.571 3.151 20 0 FGADHO C[C@H](CCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000449239141 500955288 /nfs/dbraw/zinc/95/52/88/500955288.db2.gz IEPAQJXQEBKCDU-IAGOWNOFSA-N 1 3 352.544 3.048 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1CCCCC1 ZINC000449239141 500955291 /nfs/dbraw/zinc/95/52/91/500955291.db2.gz IEPAQJXQEBKCDU-IAGOWNOFSA-N 1 3 352.544 3.048 20 0 FGADHO O=C(NC[C@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375364 500962586 /nfs/dbraw/zinc/96/25/86/500962586.db2.gz UPDDRQXGOURUPM-XLIONFOSSA-N 1 3 367.493 3.027 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2C)cc1 ZINC000435385440 500965307 /nfs/dbraw/zinc/96/53/07/500965307.db2.gz QBZKQTJJEGJGDR-VLCRHTCISA-N 1 3 368.525 3.116 20 0 FGADHO Cc1cccc(CN2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1F ZINC000449325637 500978040 /nfs/dbraw/zinc/97/80/40/500978040.db2.gz OHEZDGQRGWTHQP-QZTJIDSGSA-N 1 3 364.505 3.224 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371182 500989233 /nfs/dbraw/zinc/98/92/33/500989233.db2.gz RFHJONUCHPSMJQ-CKVGWXAMSA-N 1 3 370.603 3.223 20 0 FGADHO CN(c1ccccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C1CCN(C)CC1 ZINC000449507159 501020298 /nfs/dbraw/zinc/02/02/98/501020298.db2.gz LSZGDNQVHBVFQK-JTHBVZDNSA-N 1 3 371.569 3.104 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441382158 501130438 /nfs/dbraw/zinc/13/04/38/501130438.db2.gz NKEROCDJCOCAJY-AZUAARDMSA-N 1 3 372.557 3.165 20 0 FGADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449870 501141335 /nfs/dbraw/zinc/14/13/35/501141335.db2.gz RMOPWVHNLPDELE-KRWDZBQOSA-N 1 3 363.933 3.154 20 0 FGADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449870 501141338 /nfs/dbraw/zinc/14/13/38/501141338.db2.gz RMOPWVHNLPDELE-KRWDZBQOSA-N 1 3 363.933 3.154 20 0 FGADHO Cc1ccc([C@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCC2)cc1 ZINC000446822952 501169031 /nfs/dbraw/zinc/16/90/31/501169031.db2.gz ZVDPASCREWXZOE-HSZRJFAPSA-N 1 3 373.585 3.206 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109352 501271107 /nfs/dbraw/zinc/27/11/07/501271107.db2.gz MHVYLSILEQZIHO-RTWAWAEBSA-N 1 3 355.526 3.052 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161155 501282140 /nfs/dbraw/zinc/28/21/40/501282140.db2.gz ISASRDKXRZTTDF-QRVBRYPASA-N 1 3 368.525 3.337 20 0 FGADHO CN1CCO[C@H]([C@H](NCCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420158 501327982 /nfs/dbraw/zinc/32/79/82/501327982.db2.gz ZJSCITQISRNFCX-VQTJNVASSA-N 1 3 365.949 3.176 20 0 FGADHO CN1CCO[C@H]([C@H](NCCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420158 501327985 /nfs/dbraw/zinc/32/79/85/501327985.db2.gz ZJSCITQISRNFCX-VQTJNVASSA-N 1 3 365.949 3.176 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329474 /nfs/dbraw/zinc/32/94/74/501329474.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329476 /nfs/dbraw/zinc/32/94/76/501329476.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329478 /nfs/dbraw/zinc/32/94/78/501329478.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329482 /nfs/dbraw/zinc/32/94/82/501329482.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 1 3 360.542 3.400 20 0 FGADHO CCN1CCN(c2ccccc2CN(Cc2cnn(C)c2)CC(C)C)CC1 ZINC000453626660 501365844 /nfs/dbraw/zinc/36/58/44/501365844.db2.gz SZMGAUCFRVEZDP-UHFFFAOYSA-N 1 3 369.557 3.220 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000453626660 501365848 /nfs/dbraw/zinc/36/58/48/501365848.db2.gz SZMGAUCFRVEZDP-UHFFFAOYSA-N 1 3 369.557 3.220 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000453626660 501365851 /nfs/dbraw/zinc/36/58/51/501365851.db2.gz SZMGAUCFRVEZDP-UHFFFAOYSA-N 1 3 369.557 3.220 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134067 501377494 /nfs/dbraw/zinc/37/74/94/501377494.db2.gz HSSYSTILSKRQMI-NHCUHLMSSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134067 501377496 /nfs/dbraw/zinc/37/74/96/501377496.db2.gz HSSYSTILSKRQMI-NHCUHLMSSA-N 1 3 372.557 3.256 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000452160166 501448338 /nfs/dbraw/zinc/44/83/38/501448338.db2.gz BWYPDTBKHUIVTR-PKOBYXMFSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000452160166 501448339 /nfs/dbraw/zinc/44/83/39/501448339.db2.gz BWYPDTBKHUIVTR-PKOBYXMFSA-N 1 3 363.571 3.392 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511114 501462599 /nfs/dbraw/zinc/46/25/99/501462599.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511114 501462602 /nfs/dbraw/zinc/46/26/02/501462602.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2CCN(c3ccncc3)CC2)c1C ZINC000598972783 506255055 /nfs/dbraw/zinc/25/50/55/506255055.db2.gz DWERJNNKFUONRN-UHFFFAOYSA-N 1 3 370.497 3.209 20 0 FGADHO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000458759378 501524512 /nfs/dbraw/zinc/52/45/12/501524512.db2.gz GGPGKKLGOFKNSQ-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N(C)C ZINC000458788392 501531899 /nfs/dbraw/zinc/53/18/99/501531899.db2.gz YCBHJNPITLCBCS-GGPKGHCWSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N(C)C ZINC000458788392 501531900 /nfs/dbraw/zinc/53/19/00/501531900.db2.gz YCBHJNPITLCBCS-GGPKGHCWSA-N 1 3 360.546 3.110 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(CC)CC)cc1 ZINC000458792083 501532573 /nfs/dbraw/zinc/53/25/73/501532573.db2.gz LCNZSEIZVNQPCF-TZIWHRDSSA-N 1 3 374.573 3.225 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000458793581 501532728 /nfs/dbraw/zinc/53/27/28/501532728.db2.gz NNMHKNFPPWXSDI-CTNGQTDRSA-N 1 3 374.573 3.225 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000458793581 501532731 /nfs/dbraw/zinc/53/27/31/501532731.db2.gz NNMHKNFPPWXSDI-CTNGQTDRSA-N 1 3 374.573 3.225 20 0 FGADHO CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458860461 501547187 /nfs/dbraw/zinc/54/71/87/501547187.db2.gz VRMYRYJEEOJVSG-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981241 501570457 /nfs/dbraw/zinc/57/04/57/501570457.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981241 501570461 /nfs/dbraw/zinc/57/04/61/501570461.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000459327059 501631383 /nfs/dbraw/zinc/63/13/83/501631383.db2.gz NOJFASJLECVEKH-UHFFFAOYSA-N 1 3 371.569 3.480 20 0 FGADHO c1ccc(C2(C[NH2+]C3CCN(c4ccncc4)CC3)CCOCC2)cc1 ZINC000459381153 501643295 /nfs/dbraw/zinc/64/32/95/501643295.db2.gz ULFNYSBFDGYZKM-UHFFFAOYSA-N 1 3 351.494 3.388 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000454960854 501662023 /nfs/dbraw/zinc/66/20/23/501662023.db2.gz MLUBABZHHYVHMN-FPOVZHCZSA-N 1 3 372.557 3.215 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1Oc1ccccc1 ZINC000459497261 501664100 /nfs/dbraw/zinc/66/41/00/501664100.db2.gz IYHZIJDXKHYKSM-YPAWHYETSA-N 1 3 367.493 3.265 20 0 FGADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000459566615 501677902 /nfs/dbraw/zinc/67/79/02/501677902.db2.gz HOLRQDHNZHRLRA-IAGOWNOFSA-N 1 3 364.493 3.006 20 0 FGADHO COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000459764053 501710623 /nfs/dbraw/zinc/71/06/23/501710623.db2.gz WNIQZMUJYBRLEN-QIJUGHKUSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000459764053 501710624 /nfs/dbraw/zinc/71/06/24/501710624.db2.gz WNIQZMUJYBRLEN-QIJUGHKUSA-N 1 3 368.521 3.271 20 0 FGADHO COc1ccc([C@H](CO)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764053 501710626 /nfs/dbraw/zinc/71/06/26/501710626.db2.gz WNIQZMUJYBRLEN-QIJUGHKUSA-N 1 3 368.521 3.271 20 0 FGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994262 506268854 /nfs/dbraw/zinc/26/88/54/506268854.db2.gz HPIRWXGBKWDKGL-CQSZACIVSA-N 1 3 358.267 3.113 20 0 FGADHO Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(OCCN(C)C)c1 ZINC000460191545 501755752 /nfs/dbraw/zinc/75/57/52/501755752.db2.gz IIYURZWSGGMFTN-UHFFFAOYSA-N 1 3 361.530 3.386 20 0 FGADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000485234106 501764766 /nfs/dbraw/zinc/76/47/66/501764766.db2.gz IYRPTQFRKJJTLF-MYGLTJDJSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234106 501764772 /nfs/dbraw/zinc/76/47/72/501764772.db2.gz IYRPTQFRKJJTLF-MYGLTJDJSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234106 501764781 /nfs/dbraw/zinc/76/47/81/501764781.db2.gz IYRPTQFRKJJTLF-MYGLTJDJSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](C(=O)NC1CCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493224 501837041 /nfs/dbraw/zinc/83/70/41/501837041.db2.gz SEUPCXUDUCSRBO-LJQANCHMSA-N 1 3 369.553 3.422 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700771 501848603 /nfs/dbraw/zinc/84/86/03/501848603.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700771 501848607 /nfs/dbraw/zinc/84/86/07/501848607.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 1 3 369.553 3.420 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478015645 501853782 /nfs/dbraw/zinc/85/37/82/501853782.db2.gz KGYGWGUVVRHUBU-LEWJYISDSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629627 501900347 /nfs/dbraw/zinc/90/03/47/501900347.db2.gz NBOIHDDYNPQOMT-BPJPHKDRSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629627 501900351 /nfs/dbraw/zinc/90/03/51/501900351.db2.gz NBOIHDDYNPQOMT-BPJPHKDRSA-N 1 3 361.505 3.104 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018781 501931077 /nfs/dbraw/zinc/93/10/77/501931077.db2.gz BKFFWCVILANQLB-UXPWSPDFSA-N 1 3 362.514 3.245 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000486027834 502023659 /nfs/dbraw/zinc/02/36/59/502023659.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 1 3 357.542 3.087 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000486027834 502023662 /nfs/dbraw/zinc/02/36/62/502023662.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000475031660 502027111 /nfs/dbraw/zinc/02/71/11/502027111.db2.gz KFBSVGOLVLSORR-OPYAIIAOSA-N 1 3 352.563 3.139 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093620 502054854 /nfs/dbraw/zinc/05/48/54/502054854.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093620 502054862 /nfs/dbraw/zinc/05/48/62/502054862.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475097821 502057220 /nfs/dbraw/zinc/05/72/20/502057220.db2.gz QYHPKFPBBMUYHE-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO NC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000479182677 502185621 /nfs/dbraw/zinc/18/56/21/502185621.db2.gz HFNORDDHTUFGBL-OAQYLSRUSA-N 1 3 369.484 3.170 20 0 FGADHO CCN(CC)[C@@H](CNC1CC[NH+](CCOC)CC1)c1ccccc1Cl ZINC000461796095 502204792 /nfs/dbraw/zinc/20/47/92/502204792.db2.gz NATIQEJJWQRQPD-FQEVSTJZSA-N 1 3 367.965 3.423 20 0 FGADHO Cc1ccc2[nH]c(CNCc3ccnc(OCC[NH+](C)C)c3)cc2c1C ZINC000472053507 502212783 /nfs/dbraw/zinc/21/27/83/502212783.db2.gz NWEGFXVURVDRGO-UHFFFAOYSA-N 1 3 352.482 3.410 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221495 502219230 /nfs/dbraw/zinc/21/92/30/502219230.db2.gz PWRDVOYMIUGVBC-FPOVZHCZSA-N 1 3 374.573 3.129 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000465221495 502219234 /nfs/dbraw/zinc/21/92/34/502219234.db2.gz PWRDVOYMIUGVBC-FPOVZHCZSA-N 1 3 374.573 3.129 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000472117546 502238753 /nfs/dbraw/zinc/23/87/53/502238753.db2.gz JWUOJAAEOCUXLQ-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000465423494 502256306 /nfs/dbraw/zinc/25/63/06/502256306.db2.gz RHCHYOGQJVXVND-OAQYLSRUSA-N 1 3 374.573 3.491 20 0 FGADHO CC[NH+](CC)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486801142 502267170 /nfs/dbraw/zinc/26/71/70/502267170.db2.gz LQAOOCPKNXOGGB-UHFFFAOYSA-N 1 3 360.498 3.084 20 0 FGADHO CCCCNC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730877 502268213 /nfs/dbraw/zinc/26/82/13/502268213.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 1 3 357.542 3.281 20 0 FGADHO CCCCNC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730877 502268216 /nfs/dbraw/zinc/26/82/16/502268216.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 1 3 357.542 3.281 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129184 502283708 /nfs/dbraw/zinc/28/37/08/502283708.db2.gz KKLCJAXTGOPPSD-LAUBAEHRSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129184 502283712 /nfs/dbraw/zinc/28/37/12/502283712.db2.gz KKLCJAXTGOPPSD-LAUBAEHRSA-N 1 3 365.537 3.114 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(CN(C)C)c2)[C@@H](C)C1 ZINC000483129184 502283720 /nfs/dbraw/zinc/28/37/20/502283720.db2.gz KKLCJAXTGOPPSD-LAUBAEHRSA-N 1 3 365.537 3.114 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300658 /nfs/dbraw/zinc/30/06/58/502300658.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300663 /nfs/dbraw/zinc/30/06/63/502300663.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 1 3 372.557 3.202 20 0 FGADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000462123817 502314999 /nfs/dbraw/zinc/31/49/99/502314999.db2.gz RWKDGPZRXFNEEW-KRWDZBQOSA-N 1 3 369.347 3.207 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462140186 502321481 /nfs/dbraw/zinc/32/14/81/502321481.db2.gz LNAJUYRURKZBEP-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465692838 502349053 /nfs/dbraw/zinc/34/90/53/502349053.db2.gz KKJVUXRQPXMTJE-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465692838 502349056 /nfs/dbraw/zinc/34/90/56/502349056.db2.gz KKJVUXRQPXMTJE-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465773199 502379789 /nfs/dbraw/zinc/37/97/89/502379789.db2.gz YTSKRIUWWONLNO-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465773197 502379802 /nfs/dbraw/zinc/37/98/02/502379802.db2.gz YTSKRIUWWONLNO-OALUTQOASA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000469434693 502415312 /nfs/dbraw/zinc/41/53/12/502415312.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000469434693 502415318 /nfs/dbraw/zinc/41/53/18/502415318.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000469438428 502418727 /nfs/dbraw/zinc/41/87/27/502418727.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000469438428 502418730 /nfs/dbraw/zinc/41/87/30/502418730.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 1 3 372.557 3.069 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910797 502424499 /nfs/dbraw/zinc/42/44/99/502424499.db2.gz ONOLGRUPURGMMJ-QUCCMNQESA-N 1 3 372.557 3.434 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483704481 502469010 /nfs/dbraw/zinc/46/90/10/502469010.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 1 3 369.553 3.300 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483704481 502469016 /nfs/dbraw/zinc/46/90/16/502469016.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 1 3 369.553 3.300 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000487863278 502550955 /nfs/dbraw/zinc/55/09/55/502550955.db2.gz VWAWAXNLTGZLAF-LJQANCHMSA-N 1 3 364.578 3.014 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H](CO)CC1CCCC1)C1CCN(C)CC1 ZINC000466417278 502565283 /nfs/dbraw/zinc/56/52/83/502565283.db2.gz OAYJQROLYBWXBA-HXUWFJFHSA-N 1 3 373.585 3.495 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812468 502584000 /nfs/dbraw/zinc/58/40/00/502584000.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000462812468 502584005 /nfs/dbraw/zinc/58/40/05/502584005.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1Cc1ccccc1 ZINC000466517908 502594888 /nfs/dbraw/zinc/59/48/88/502594888.db2.gz KUPPLPOYCVNPCD-GHTZIAJQSA-N 1 3 372.557 3.261 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584088 502610566 /nfs/dbraw/zinc/61/05/66/502610566.db2.gz PEAYUQUYJWZNDX-ONTIZHBOSA-N 1 3 359.558 3.158 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000480595935 502614347 /nfs/dbraw/zinc/61/43/47/502614347.db2.gz PJVAWCBRZDVZFC-QFBILLFUSA-N 1 3 372.513 3.270 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000582608562 506324447 /nfs/dbraw/zinc/32/44/47/506324447.db2.gz CYHOWNXRRKDIEX-HNNXBMFYSA-N 1 3 357.498 3.297 20 0 FGADHO CC(C)c1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000476956594 502633043 /nfs/dbraw/zinc/63/30/43/502633043.db2.gz XGPTXIQIQBAPNP-UHFFFAOYSA-N 1 3 372.557 3.168 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000463137904 502704420 /nfs/dbraw/zinc/70/44/20/502704420.db2.gz AKZUSAAZSZVXJN-GGAORHGYSA-N 1 3 372.601 3.047 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420495 502711144 /nfs/dbraw/zinc/71/11/44/502711144.db2.gz WIJNITZAIGQTRB-WOJBJXKFSA-N 1 3 361.599 3.444 20 0 FGADHO CCOc1ccccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466932023 502732159 /nfs/dbraw/zinc/73/21/59/502732159.db2.gz DNGGPBHUGIYZJM-UHFFFAOYSA-N 1 3 362.514 3.041 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2cccc(Br)c21 ZINC000481056072 502742516 /nfs/dbraw/zinc/74/25/16/502742516.db2.gz VHJDUYOWWHXDMM-DVOMOZLQSA-N 1 3 353.304 3.044 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000477397680 502764028 /nfs/dbraw/zinc/76/40/28/502764028.db2.gz XUELHJHPYCZBDW-LJQANCHMSA-N 1 3 374.573 3.270 20 0 FGADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000484938889 502782662 /nfs/dbraw/zinc/78/26/62/502782662.db2.gz MIZGURGIWKVIAX-NJDAHSKKSA-N 1 3 357.542 3.087 20 0 FGADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000484938889 502782668 /nfs/dbraw/zinc/78/26/68/502782668.db2.gz MIZGURGIWKVIAX-NJDAHSKKSA-N 1 3 357.542 3.087 20 0 FGADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444986 502807629 /nfs/dbraw/zinc/80/76/29/502807629.db2.gz OWHXBEWJMSQRGH-VQTJNVASSA-N 1 3 357.542 3.498 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474151879 502815594 /nfs/dbraw/zinc/81/55/94/502815594.db2.gz SMFMQQUJHALBLY-UHFFFAOYSA-N 1 3 361.921 3.475 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407430 502835235 /nfs/dbraw/zinc/83/52/35/502835235.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 1 3 355.526 3.189 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407430 502835239 /nfs/dbraw/zinc/83/52/39/502835239.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 1 3 355.526 3.189 20 0 FGADHO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000500817378 502870325 /nfs/dbraw/zinc/87/03/25/502870325.db2.gz KSYOSYSOFRBRGS-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501068830 502927337 /nfs/dbraw/zinc/92/73/37/502927337.db2.gz NDRYKEZYMHIBSV-UHFFFAOYSA-N 1 3 372.557 3.411 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591697 502943399 /nfs/dbraw/zinc/94/33/99/502943399.db2.gz RABBCQQMMROROT-FJIDUMEYSA-N 1 3 364.534 3.081 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591697 502943405 /nfs/dbraw/zinc/94/34/05/502943405.db2.gz RABBCQQMMROROT-FJIDUMEYSA-N 1 3 364.534 3.081 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149872 502949607 /nfs/dbraw/zinc/94/96/07/502949607.db2.gz IFJZANOMJFIRAI-FGTMMUONSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149872 502949609 /nfs/dbraw/zinc/94/96/09/502949609.db2.gz IFJZANOMJFIRAI-FGTMMUONSA-N 1 3 364.559 3.057 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000489435628 502957680 /nfs/dbraw/zinc/95/76/80/502957680.db2.gz XDWAGBLONZVDTN-NJYVYQBISA-N 1 3 372.557 3.304 20 0 FGADHO CCC(CC)(CNC(=O)N1CCN2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000497442363 502960675 /nfs/dbraw/zinc/96/06/75/502960675.db2.gz MVCPUKIUCFMRJD-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000513613917 502980463 /nfs/dbraw/zinc/98/04/63/502980463.db2.gz UXXYXFZUJVTATP-VXKWHMMOSA-N 1 3 365.521 3.356 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804183 502989015 /nfs/dbraw/zinc/98/90/15/502989015.db2.gz ZXYORYODCLBXMQ-NRFANRHFSA-N 1 3 359.558 3.192 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804183 502989020 /nfs/dbraw/zinc/98/90/20/502989020.db2.gz ZXYORYODCLBXMQ-NRFANRHFSA-N 1 3 359.558 3.192 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566397 502990246 /nfs/dbraw/zinc/99/02/46/502990246.db2.gz RRKZEYNWRDWOJQ-HXUWFJFHSA-N 1 3 364.578 3.205 20 0 FGADHO Cn1nnc2cc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)ccc21 ZINC000513753427 503016551 /nfs/dbraw/zinc/01/65/51/503016551.db2.gz CPTVODOZILMBCG-UHFFFAOYSA-N 1 3 363.509 3.312 20 0 FGADHO Cn1nnc2cc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)ccc21 ZINC000513753427 503016556 /nfs/dbraw/zinc/01/65/56/503016556.db2.gz CPTVODOZILMBCG-UHFFFAOYSA-N 1 3 363.509 3.312 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccco1 ZINC000497851864 503055023 /nfs/dbraw/zinc/05/50/23/503055023.db2.gz HESXGTMEXCKBHM-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1CC)c1ccco1 ZINC000497851864 503055028 /nfs/dbraw/zinc/05/50/28/503055028.db2.gz HESXGTMEXCKBHM-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510275526 503083142 /nfs/dbraw/zinc/08/31/42/503083142.db2.gz ZQGRPMULTURATI-HDICACEKSA-N 1 3 356.514 3.066 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000501808628 503084708 /nfs/dbraw/zinc/08/47/08/503084708.db2.gz DDNNTRXXQTUORF-QUCCMNQESA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)C[C@@H](C)O1 ZINC000514094775 503086302 /nfs/dbraw/zinc/08/63/02/503086302.db2.gz OOWRTWJTXCJAGC-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)C[C@@H](C)O1 ZINC000514094775 503086305 /nfs/dbraw/zinc/08/63/05/503086305.db2.gz OOWRTWJTXCJAGC-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)C[C@@H](C)O1 ZINC000514094775 503086308 /nfs/dbraw/zinc/08/63/08/503086308.db2.gz OOWRTWJTXCJAGC-JTPPEQCGSA-N 1 3 371.569 3.258 20 0 FGADHO COCCOCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514099999 503088260 /nfs/dbraw/zinc/08/82/60/503088260.db2.gz SKBOSXXRPRDNAY-BHDDXSALSA-N 1 3 360.542 3.320 20 0 FGADHO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000501955581 503116060 /nfs/dbraw/zinc/11/60/60/503116060.db2.gz JIBLPFODSNIMQQ-HKUYNNGSSA-N 1 3 360.546 3.099 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000498414387 503182489 /nfs/dbraw/zinc/18/24/89/503182489.db2.gz PHJKYHAKCNKFSS-AJYUKVHDSA-N 1 3 362.518 3.023 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414387 503182493 /nfs/dbraw/zinc/18/24/93/503182493.db2.gz PHJKYHAKCNKFSS-AJYUKVHDSA-N 1 3 362.518 3.023 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000498418974 503183491 /nfs/dbraw/zinc/18/34/91/503183491.db2.gz AMJDBEOLIHXAJB-YLJYHZDGSA-N 1 3 360.546 3.099 20 0 FGADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000506907177 503192749 /nfs/dbraw/zinc/19/27/49/503192749.db2.gz FLGJCJIQUAURDV-UHFFFAOYSA-N 1 3 360.420 3.410 20 0 FGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000511008693 503234269 /nfs/dbraw/zinc/23/42/69/503234269.db2.gz DHECLAZOFLVZKJ-HXUWFJFHSA-N 1 3 357.542 3.073 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000498739923 503253365 /nfs/dbraw/zinc/25/33/65/503253365.db2.gz RDWRRZATXCRBBU-LJQANCHMSA-N 1 3 366.525 3.237 20 0 FGADHO Cc1cc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997229 503258530 /nfs/dbraw/zinc/25/85/30/503258530.db2.gz RVFJKMGIXCQIQB-NFBKMPQASA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997229 503258534 /nfs/dbraw/zinc/25/85/34/503258534.db2.gz RVFJKMGIXCQIQB-NFBKMPQASA-N 1 3 373.585 3.455 20 0 FGADHO Cc1cc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C(C)C ZINC000490997229 503258538 /nfs/dbraw/zinc/25/85/38/503258538.db2.gz RVFJKMGIXCQIQB-NFBKMPQASA-N 1 3 373.585 3.455 20 0 FGADHO CC(C)(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000507336892 503279737 /nfs/dbraw/zinc/27/97/37/503279737.db2.gz DVGOKOXXLDCYPD-UHFFFAOYSA-N 1 3 365.521 3.424 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000498917846 503293122 /nfs/dbraw/zinc/29/31/22/503293122.db2.gz IHBWGIMBYBMSLD-SOLBZPMBSA-N 1 3 351.560 3.414 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc3c(c2)CCCC3)C1 ZINC000491293496 503294792 /nfs/dbraw/zinc/29/47/92/503294792.db2.gz FCSKZZOJLFFETD-QHCPKHFHSA-N 1 3 350.506 3.422 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc3c(c2)CCCC3)C1 ZINC000491293496 503294794 /nfs/dbraw/zinc/29/47/94/503294794.db2.gz FCSKZZOJLFFETD-QHCPKHFHSA-N 1 3 350.506 3.422 20 0 FGADHO N[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1c1ccccc1F ZINC000515233611 503298987 /nfs/dbraw/zinc/29/89/87/503298987.db2.gz VFCDEPPHQIYTKE-XKGZKEIXSA-N 1 3 361.505 3.157 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000515291180 503308351 /nfs/dbraw/zinc/30/83/51/503308351.db2.gz CRRSPNOXYHWFAT-LJQANCHMSA-N 1 3 374.573 3.460 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)CN(C)C ZINC000491597111 503323024 /nfs/dbraw/zinc/32/30/24/503323024.db2.gz RGLKLRPCVJNUPL-SNVBAGLBSA-N 1 3 351.235 3.338 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000503093944 503344860 /nfs/dbraw/zinc/34/48/60/503344860.db2.gz ZSDJFZLYXKNKOR-SESVDKBCSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000503093944 503344865 /nfs/dbraw/zinc/34/48/65/503344865.db2.gz ZSDJFZLYXKNKOR-SESVDKBCSA-N 1 3 372.557 3.386 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000511917197 503414702 /nfs/dbraw/zinc/41/47/02/503414702.db2.gz SMKPRQUZZBUVGI-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000511917197 503414705 /nfs/dbraw/zinc/41/47/05/503414705.db2.gz SMKPRQUZZBUVGI-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO Cn1nccc1-c1ccccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000511956391 503423435 /nfs/dbraw/zinc/42/34/35/503423435.db2.gz RXYPKSRUBRFHFQ-UHFFFAOYSA-N 1 3 361.493 3.488 20 0 FGADHO CCc1cc(OC)ccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000503565182 503438096 /nfs/dbraw/zinc/43/80/96/503438096.db2.gz KZJJIVLSTAFFGV-UHFFFAOYSA-N 1 3 359.558 3.107 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000508202498 503452422 /nfs/dbraw/zinc/45/24/22/503452422.db2.gz CDKYEYYPXJOCEI-UHFFFAOYSA-N 1 3 374.573 3.023 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165055 503460018 /nfs/dbraw/zinc/46/00/18/503460018.db2.gz SZFWDQPLZDDHOY-WIYYLYMNSA-N 1 3 372.557 3.434 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000512291471 503510868 /nfs/dbraw/zinc/51/08/68/503510868.db2.gz AHRUUFDVNJWKSQ-QFIPXVFZSA-N 1 3 370.585 3.279 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545991 /nfs/dbraw/zinc/54/59/91/503545991.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545995 /nfs/dbraw/zinc/54/59/95/503545995.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508702261 503547138 /nfs/dbraw/zinc/54/71/38/503547138.db2.gz VZWYJLQFLBFPFO-YMPZKCBVSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702261 503547142 /nfs/dbraw/zinc/54/71/42/503547142.db2.gz VZWYJLQFLBFPFO-YMPZKCBVSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702261 503547146 /nfs/dbraw/zinc/54/71/46/503547146.db2.gz VZWYJLQFLBFPFO-YMPZKCBVSA-N 1 3 373.585 3.234 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000500121092 503559992 /nfs/dbraw/zinc/55/99/92/503559992.db2.gz JOMSVLRMZAABKQ-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508850111 503577002 /nfs/dbraw/zinc/57/70/02/503577002.db2.gz DXPGHFDPLPFXDF-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025132 503646901 /nfs/dbraw/zinc/64/69/01/503646901.db2.gz JEYCXCIWIUASOJ-UGKGYDQZSA-N 1 3 368.521 3.415 20 0 FGADHO Cc1ccc(-c2ncc(CN(C)CCC[N@@H+](C)CCN(C)C)s2)cc1 ZINC000517058125 503651507 /nfs/dbraw/zinc/65/15/07/503651507.db2.gz BITMIPGXHJGQAA-UHFFFAOYSA-N 1 3 360.571 3.434 20 0 FGADHO Cc1ccc(-c2ncc(CN(C)CCC[N@H+](C)CCN(C)C)s2)cc1 ZINC000517058125 503651509 /nfs/dbraw/zinc/65/15/09/503651509.db2.gz BITMIPGXHJGQAA-UHFFFAOYSA-N 1 3 360.571 3.434 20 0 FGADHO Cc1ccc(-c2ncc(CN(C)CCCN(C)CC[NH+](C)C)s2)cc1 ZINC000517058125 503651512 /nfs/dbraw/zinc/65/15/12/503651512.db2.gz BITMIPGXHJGQAA-UHFFFAOYSA-N 1 3 360.571 3.434 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000536666707 503669332 /nfs/dbraw/zinc/66/93/32/503669332.db2.gz RTWUOPKHAQEDGO-RXVVDRJESA-N 1 3 371.569 3.248 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000536666707 503669335 /nfs/dbraw/zinc/66/93/35/503669335.db2.gz RTWUOPKHAQEDGO-RXVVDRJESA-N 1 3 371.569 3.248 20 0 FGADHO CC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713981 503671979 /nfs/dbraw/zinc/67/19/79/503671979.db2.gz CALMUVOUUWQEGB-FQEVSTJZSA-N 1 3 370.541 3.211 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000517112052 503672056 /nfs/dbraw/zinc/67/20/56/503672056.db2.gz IEKXHVZLCUGDJN-RTWAWAEBSA-N 1 3 372.557 3.258 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696332 503685011 /nfs/dbraw/zinc/68/50/11/503685011.db2.gz IQRCYVZJFPGLAP-OAQYLSRUSA-N 1 3 370.541 3.422 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299870 503716430 /nfs/dbraw/zinc/71/64/30/503716430.db2.gz FBGQNBITVBAZAK-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO CN1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472216 503751688 /nfs/dbraw/zinc/75/16/88/503751688.db2.gz WMQNOAPXHSJQIJ-IBGZPJMESA-N 1 3 358.530 3.178 20 0 FGADHO CN(CCSc1ccc(Cl)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000537019676 503778169 /nfs/dbraw/zinc/77/81/69/503778169.db2.gz LFTOUPVFBFUSHW-UHFFFAOYSA-N 1 3 355.979 3.390 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026497 503800592 /nfs/dbraw/zinc/80/05/92/503800592.db2.gz JEYFMXZGNAGJEG-OAQYLSRUSA-N 1 3 355.526 3.419 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000527635107 503869630 /nfs/dbraw/zinc/86/96/30/503869630.db2.gz IDODZZYUPOFZCN-IFMALSPDSA-N 1 3 371.569 3.333 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000527635107 503869635 /nfs/dbraw/zinc/86/96/35/503869635.db2.gz IDODZZYUPOFZCN-IFMALSPDSA-N 1 3 371.569 3.333 20 0 FGADHO CC(C)CC[NH+]1CCC(CNCc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527669322 503886849 /nfs/dbraw/zinc/88/68/49/503886849.db2.gz FENOMWZSGOOILD-UHFFFAOYSA-N 1 3 361.559 3.391 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527874791 503981801 /nfs/dbraw/zinc/98/18/01/503981801.db2.gz YOEJNKULPIBWSY-CEXWTWQISA-N 1 3 352.881 3.434 20 0 FGADHO COC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000530701167 504056825 /nfs/dbraw/zinc/05/68/25/504056825.db2.gz FUBVZAXFHUHRBC-ROUUACIJSA-N 1 3 374.525 3.185 20 0 FGADHO COc1ccccc1[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098106 504133367 /nfs/dbraw/zinc/13/33/67/504133367.db2.gz AMIBHMKXAGCKQX-NQIIRXRSSA-N 1 3 373.541 3.104 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409054 504134615 /nfs/dbraw/zinc/13/46/15/504134615.db2.gz LBYUHHQSUXSPOS-OAQYLSRUSA-N 1 3 369.553 3.475 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@@H](C)O1 ZINC000530939830 504136340 /nfs/dbraw/zinc/13/63/40/504136340.db2.gz MQZXBVQPMWNJEZ-RTBURBONSA-N 1 3 359.558 3.464 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccc(Cl)cc1 ZINC000519141652 504148440 /nfs/dbraw/zinc/14/84/40/504148440.db2.gz ORAABOSMTDLPGQ-HXUWFJFHSA-N 1 3 366.933 3.214 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000541591208 504191085 /nfs/dbraw/zinc/19/10/85/504191085.db2.gz UWRVUIQVDDZFNC-GOSISDBHSA-N 1 3 368.949 3.440 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000541591208 504191089 /nfs/dbraw/zinc/19/10/89/504191089.db2.gz UWRVUIQVDDZFNC-GOSISDBHSA-N 1 3 368.949 3.440 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000519479572 504228817 /nfs/dbraw/zinc/22/88/17/504228817.db2.gz DHDTWYAJFXAMED-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000531246352 504241717 /nfs/dbraw/zinc/24/17/17/504241717.db2.gz QBXPCVGZZPYFAB-RBUKOAKNSA-N 1 3 360.546 3.023 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571460 504257620 /nfs/dbraw/zinc/25/76/20/504257620.db2.gz QNUVHAPCVSKBKD-WIYYLYMNSA-N 1 3 374.573 3.217 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000531391892 504291953 /nfs/dbraw/zinc/29/19/53/504291953.db2.gz ZBBZXNIPAJUSEI-HUUCEWRRSA-N 1 3 360.454 3.190 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000528652071 504314346 /nfs/dbraw/zinc/31/43/46/504314346.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 1 3 371.569 3.476 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000528652071 504314349 /nfs/dbraw/zinc/31/43/49/504314349.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 1 3 371.569 3.476 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000519766086 504332085 /nfs/dbraw/zinc/33/20/85/504332085.db2.gz YDHOKNBBGFRVNM-DBXWQHBBSA-N 1 3 369.534 3.082 20 0 FGADHO COc1cccc(C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2)c1 ZINC000531701760 504397235 /nfs/dbraw/zinc/39/72/35/504397235.db2.gz PTFZOYFCJSZIAD-IRLDBZIGSA-N 1 3 354.494 3.025 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000520200335 504433841 /nfs/dbraw/zinc/43/38/41/504433841.db2.gz MKIHXSCRQHZAIJ-OALUTQOASA-N 1 3 366.594 3.260 20 0 FGADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539073145 504464443 /nfs/dbraw/zinc/46/44/43/504464443.db2.gz IIPGERQFRDTLEU-ROUUACIJSA-N 1 3 357.542 3.427 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000520757614 504574998 /nfs/dbraw/zinc/57/49/98/504574998.db2.gz OMNAVKPMYKEOGA-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)CCN(C)c3ccncc3)CC2)CC1 ZINC000542786159 504609172 /nfs/dbraw/zinc/60/91/72/504609172.db2.gz BUHXYUXPRZAIIO-UHFFFAOYSA-N 1 3 358.530 3.067 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609279 504624649 /nfs/dbraw/zinc/62/46/49/504624649.db2.gz QUAIMQDKMVYMNP-IAGOWNOFSA-N 1 3 356.432 3.388 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](CC(C)C)C2CC2)CC1 ZINC000532493938 504669458 /nfs/dbraw/zinc/66/94/58/504669458.db2.gz UFAMISOLVJBYIM-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](CC(C)C)C2CC2)CC1 ZINC000532493938 504669463 /nfs/dbraw/zinc/66/94/63/504669463.db2.gz UFAMISOLVJBYIM-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137512 504698877 /nfs/dbraw/zinc/69/88/77/504698877.db2.gz UOXGJSFIGGKZRQ-MOPGFXCFSA-N 1 3 354.922 3.460 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486018 504746051 /nfs/dbraw/zinc/74/60/51/504746051.db2.gz HHJHZWGTKBFCRJ-CTNGQTDRSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486018 504746054 /nfs/dbraw/zinc/74/60/54/504746054.db2.gz HHJHZWGTKBFCRJ-CTNGQTDRSA-N 1 3 357.542 3.135 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000521509600 504749869 /nfs/dbraw/zinc/74/98/69/504749869.db2.gz PONBAFSPGVABDD-IBGZPJMESA-N 1 3 374.573 3.448 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000552917755 504787199 /nfs/dbraw/zinc/78/71/99/504787199.db2.gz ITXGGDQIAPNTEB-JOCHJYFZSA-N 1 3 369.553 3.329 20 0 FGADHO O=C(CN[C@H](c1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552921507 504788056 /nfs/dbraw/zinc/78/80/56/504788056.db2.gz RORIQMPTFVJYFK-JOCHJYFZSA-N 1 3 355.526 3.251 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2sc(Br)cc21 ZINC000556103442 504796984 /nfs/dbraw/zinc/79/69/84/504796984.db2.gz CEQNGSAQHMVKJD-YPMHNXCESA-N 1 3 361.349 3.444 20 0 FGADHO CCn1nccc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000549348765 504797692 /nfs/dbraw/zinc/79/76/92/504797692.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 1 3 352.526 3.432 20 0 FGADHO CCn1nccc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000549348765 504797695 /nfs/dbraw/zinc/79/76/95/504797695.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 1 3 352.526 3.432 20 0 FGADHO O=C(CN1CC[C@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410798 504855728 /nfs/dbraw/zinc/85/57/28/504855728.db2.gz IMHZBVNDODHGCL-OAQYLSRUSA-N 1 3 355.526 3.021 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000565395757 504874194 /nfs/dbraw/zinc/87/41/94/504874194.db2.gz HYFWPWCBIKTNPH-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000565395757 504874196 /nfs/dbraw/zinc/87/41/96/504874196.db2.gz HYFWPWCBIKTNPH-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CCc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000549866112 504921873 /nfs/dbraw/zinc/92/18/73/504921873.db2.gz MKDQVNRQSBPARN-UHFFFAOYSA-N 1 3 358.574 3.272 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000559774292 504926510 /nfs/dbraw/zinc/92/65/10/504926510.db2.gz POTNCQFKXGAWJT-JEVOJNTISA-N 1 3 358.592 3.080 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497587 504932410 /nfs/dbraw/zinc/93/24/10/504932410.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497587 504932415 /nfs/dbraw/zinc/93/24/15/504932415.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@]1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC[N@@H+]1Cc1ccccc1 ZINC000562772533 504940200 /nfs/dbraw/zinc/94/02/00/504940200.db2.gz GHPDIABZNOXQRX-QFIPXVFZSA-N 1 3 364.493 3.466 20 0 FGADHO C[C@@]1(CNC(=O)Nc2ccc3c(c2)CNC3)CCC[N@H+]1Cc1ccccc1 ZINC000562772533 504940205 /nfs/dbraw/zinc/94/02/05/504940205.db2.gz GHPDIABZNOXQRX-QFIPXVFZSA-N 1 3 364.493 3.466 20 0 FGADHO C[C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000556832974 504989330 /nfs/dbraw/zinc/98/93/30/504989330.db2.gz NYUSEJZVEBFLCZ-KSZLIROESA-N 1 3 366.509 3.145 20 0 FGADHO C[C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556832974 504989332 /nfs/dbraw/zinc/98/93/32/504989332.db2.gz NYUSEJZVEBFLCZ-KSZLIROESA-N 1 3 366.509 3.145 20 0 FGADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987325 505010731 /nfs/dbraw/zinc/01/07/31/505010731.db2.gz GTMBCVTXSZYRSR-PGRDOPGGSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987325 505010735 /nfs/dbraw/zinc/01/07/35/505010735.db2.gz GTMBCVTXSZYRSR-PGRDOPGGSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987325 505010740 /nfs/dbraw/zinc/01/07/40/505010740.db2.gz GTMBCVTXSZYRSR-PGRDOPGGSA-N 1 3 366.505 3.167 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026216 /nfs/dbraw/zinc/02/62/16/505026216.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 1 3 350.450 3.124 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026221 /nfs/dbraw/zinc/02/62/21/505026221.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 1 3 350.450 3.124 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000556985016 505038257 /nfs/dbraw/zinc/03/82/57/505038257.db2.gz WNVSSPIFQNXHFB-OIBXWCBGSA-N 1 3 364.537 3.376 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000566063610 505069951 /nfs/dbraw/zinc/06/99/51/505069951.db2.gz DUPKJRPKNOKMBW-QRVBRYPASA-N 1 3 370.493 3.291 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063610 505069956 /nfs/dbraw/zinc/06/99/56/505069956.db2.gz DUPKJRPKNOKMBW-QRVBRYPASA-N 1 3 370.493 3.291 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089291 505077116 /nfs/dbraw/zinc/07/71/16/505077116.db2.gz UCRFYRDURFLTIL-JKOKRWQUSA-N 1 3 362.827 3.050 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089291 505077120 /nfs/dbraw/zinc/07/71/20/505077120.db2.gz UCRFYRDURFLTIL-JKOKRWQUSA-N 1 3 362.827 3.050 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092199 505077344 /nfs/dbraw/zinc/07/73/44/505077344.db2.gz OXQBEVDQIFMCPK-MKVSYHDVSA-N 1 3 359.905 3.268 20 0 FGADHO O[C@@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000557272595 505102849 /nfs/dbraw/zinc/10/28/49/505102849.db2.gz BHZVYALTZFRRTD-XZOQPEGZSA-N 1 3 371.569 3.009 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000566171370 505103323 /nfs/dbraw/zinc/10/33/23/505103323.db2.gz CKYWPVNQQLOANK-NRFANRHFSA-N 1 3 351.494 3.159 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000550830902 505111008 /nfs/dbraw/zinc/11/10/08/505111008.db2.gz LRANWQWCCWORNA-VXSCBNMQSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000550830902 505111011 /nfs/dbraw/zinc/11/10/11/505111011.db2.gz LRANWQWCCWORNA-VXSCBNMQSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000550830902 505111014 /nfs/dbraw/zinc/11/10/14/505111014.db2.gz LRANWQWCCWORNA-VXSCBNMQSA-N 1 3 371.569 3.429 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccnc3OC(C)C)CC2)CC1 ZINC000563377082 505125830 /nfs/dbraw/zinc/12/58/30/505125830.db2.gz MPVKHTYYVVPMGF-UHFFFAOYSA-N 1 3 374.529 3.004 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000563581354 505183284 /nfs/dbraw/zinc/18/32/84/505183284.db2.gz OSXGBGGJAXTGDT-DFGXFYAUSA-N 1 3 364.559 3.042 20 0 FGADHO CSC1(CNCc2c(C)nn(-c3ccccc3)c2C)CC[NH+](C)CC1 ZINC000566531715 505196329 /nfs/dbraw/zinc/19/63/29/505196329.db2.gz CBGOHGPCFWPNSX-UHFFFAOYSA-N 1 3 358.555 3.406 20 0 FGADHO CSC1(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CCN(C)CC1 ZINC000566531715 505196332 /nfs/dbraw/zinc/19/63/32/505196332.db2.gz CBGOHGPCFWPNSX-UHFFFAOYSA-N 1 3 358.555 3.406 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667927 505205481 /nfs/dbraw/zinc/20/54/81/505205481.db2.gz XPUVHELGCLNZPH-FUHWJXTLSA-N 1 3 355.482 3.017 20 0 FGADHO O[C@H](CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789830 505307347 /nfs/dbraw/zinc/30/73/47/505307347.db2.gz SGQSIYIQFFRQAD-SQNIBIBYSA-N 1 3 356.432 3.388 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)N(C)C)cc1 ZINC000567019502 505341166 /nfs/dbraw/zinc/34/11/66/505341166.db2.gz JCNIAJZUXKIWRC-RBUKOAKNSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC000567019502 505341169 /nfs/dbraw/zinc/34/11/69/505341169.db2.gz JCNIAJZUXKIWRC-RBUKOAKNSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)N(C)C)cc1 ZINC000567019502 505341172 /nfs/dbraw/zinc/34/11/72/505341172.db2.gz JCNIAJZUXKIWRC-RBUKOAKNSA-N 1 3 363.571 3.390 20 0 FGADHO CN(C)C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555114277 505353999 /nfs/dbraw/zinc/35/39/99/505353999.db2.gz CFMSWYOEQAJARA-SFHVURJKSA-N 1 3 366.937 3.118 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000555114275 505354089 /nfs/dbraw/zinc/35/40/89/505354089.db2.gz CFMSWYOEQAJARA-GOSISDBHSA-N 1 3 366.937 3.118 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1)N(C)C ZINC000558380524 505371785 /nfs/dbraw/zinc/37/17/85/505371785.db2.gz JMOGXEIMGMYWBB-PXNSSMCTSA-N 1 3 360.546 3.158 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)N(C)C)cc1 ZINC000561727353 505419496 /nfs/dbraw/zinc/41/94/96/505419496.db2.gz UAJZVTFPBIPKFU-JEWRLFTDSA-N 1 3 363.571 3.389 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@H](C)O1 ZINC000555530027 505447100 /nfs/dbraw/zinc/44/71/00/505447100.db2.gz JSWZCJOOXKIIHS-HDICACEKSA-N 1 3 357.498 3.244 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386874 505448235 /nfs/dbraw/zinc/44/82/35/505448235.db2.gz LKGLIEQXQBOPSW-QGZVKYPTSA-N 1 3 365.521 3.337 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000555546733 505452987 /nfs/dbraw/zinc/45/29/87/505452987.db2.gz FOFRUQFGZWYRJX-IBGZPJMESA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000555546733 505452991 /nfs/dbraw/zinc/45/29/91/505452991.db2.gz FOFRUQFGZWYRJX-IBGZPJMESA-N 1 3 372.557 3.027 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454870 /nfs/dbraw/zinc/45/48/70/505454870.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454872 /nfs/dbraw/zinc/45/48/72/505454872.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 1 3 374.573 3.317 20 0 FGADHO CSC1(CNCc2c(C3CC3)nc3sccn23)CC[NH+](C)CC1 ZINC000562081503 505512757 /nfs/dbraw/zinc/51/27/57/505512757.db2.gz NWUGRKJKVYNKAZ-UHFFFAOYSA-N 1 3 350.557 3.190 20 0 FGADHO CSC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCN(C)CC1 ZINC000562081503 505512760 /nfs/dbraw/zinc/51/27/60/505512760.db2.gz NWUGRKJKVYNKAZ-UHFFFAOYSA-N 1 3 350.557 3.190 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000583647862 506893802 /nfs/dbraw/zinc/89/38/02/506893802.db2.gz KVSHABVMTXBCOP-OAQYLSRUSA-N 1 3 353.510 3.132 20 0 FGADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC000604631728 506895968 /nfs/dbraw/zinc/89/59/68/506895968.db2.gz ZBIVIPAEZKTNSJ-UHFFFAOYSA-N 1 3 352.567 3.011 20 0 FGADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631948 506896834 /nfs/dbraw/zinc/89/68/34/506896834.db2.gz JQOVXGNYXADFKW-IBGZPJMESA-N 1 3 364.578 3.158 20 0 FGADHO CC(C)[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000594089721 506934087 /nfs/dbraw/zinc/93/40/87/506934087.db2.gz SDMNEUKVKZIFBG-PMACEKPBSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000604822486 506956282 /nfs/dbraw/zinc/95/62/82/506956282.db2.gz KBHPIBMNAHMGKQ-GHTZIAJQSA-N 1 3 372.557 3.384 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000584061976 507132361 /nfs/dbraw/zinc/13/23/61/507132361.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 1 3 369.509 3.082 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000584061976 507132364 /nfs/dbraw/zinc/13/23/64/507132364.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 1 3 369.509 3.082 20 0 FGADHO CC(C)[C@H](C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154645 507135763 /nfs/dbraw/zinc/13/57/63/507135763.db2.gz QPWIYKBCSWMTGB-SESVDKBCSA-N 1 3 357.542 3.449 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859698 507150378 /nfs/dbraw/zinc/15/03/78/507150378.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859698 507150387 /nfs/dbraw/zinc/15/03/87/507150387.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 1 3 372.557 3.072 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734550 507259618 /nfs/dbraw/zinc/25/96/18/507259618.db2.gz AYCVBVNWGGDZBU-MRXNPFEDSA-N 1 3 350.890 3.338 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000601223350 507302576 /nfs/dbraw/zinc/30/25/76/507302576.db2.gz UESONRWHGBYESZ-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000591656129 507324614 /nfs/dbraw/zinc/32/46/14/507324614.db2.gz KTELFVMBLCATCA-SSXNTNPLSA-N 1 3 356.510 3.218 20 0 FGADHO COC(=O)c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999267 507348283 /nfs/dbraw/zinc/34/82/83/507348283.db2.gz BTVAMWYISFXQQY-IBGZPJMESA-N 1 3 367.493 3.193 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000584460956 507358269 /nfs/dbraw/zinc/35/82/69/507358269.db2.gz YWTSJORMYJPRQB-LEWJYISDSA-N 1 3 372.557 3.122 20 0 FGADHO CC(C)CCn1cccc1C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000606469725 507417585 /nfs/dbraw/zinc/41/75/85/507417585.db2.gz NPEPQRWOZUEEQQ-UHFFFAOYSA-N 1 3 369.557 3.231 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000607180524 507647360 /nfs/dbraw/zinc/64/73/60/507647360.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000607180524 507647364 /nfs/dbraw/zinc/64/73/64/507647364.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000607245293 507669742 /nfs/dbraw/zinc/66/97/42/507669742.db2.gz IWRJXOMWPSVOAR-GOSISDBHSA-N 1 3 368.953 3.172 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662395 516709728 /nfs/dbraw/zinc/70/97/28/516709728.db2.gz VDCFAZCNGKFTBE-PCCBWWKXSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662395 516709741 /nfs/dbraw/zinc/70/97/41/516709741.db2.gz VDCFAZCNGKFTBE-PCCBWWKXSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662395 516709751 /nfs/dbraw/zinc/70/97/51/516709751.db2.gz VDCFAZCNGKFTBE-PCCBWWKXSA-N 1 3 365.525 3.169 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820706393 606915147 /nfs/dbraw/zinc/91/51/47/606915147.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820706393 606915148 /nfs/dbraw/zinc/91/51/48/606915148.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820706393 606915149 /nfs/dbraw/zinc/91/51/49/606915149.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820706393 606915150 /nfs/dbraw/zinc/91/51/50/606915150.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000123404453 700704435 /nfs/dbraw/zinc/70/44/35/700704435.db2.gz BHGFYWPPJCFLOA-MSOLQXFVSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000123404453 700704437 /nfs/dbraw/zinc/70/44/37/700704437.db2.gz BHGFYWPPJCFLOA-MSOLQXFVSA-N 1 3 351.535 3.429 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198569 /nfs/dbraw/zinc/19/85/69/705198569.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198573 /nfs/dbraw/zinc/19/85/73/705198573.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000177552520 705627752 /nfs/dbraw/zinc/62/77/52/705627752.db2.gz UQQNWFCUMCSZBX-KRWDZBQOSA-N 1 3 353.551 3.345 20 0 FGADHO CC1CCN(CCC[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195185816 713548327 /nfs/dbraw/zinc/54/83/27/713548327.db2.gz NPCTZLULTVXUND-HXUWFJFHSA-N 1 3 353.551 3.345 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000310514730 713799332 /nfs/dbraw/zinc/79/93/32/713799332.db2.gz XCSBSNKOSFVVDX-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000523812589 714254078 /nfs/dbraw/zinc/25/40/78/714254078.db2.gz MFWIVYLLIIEXDK-AEFFLSMTSA-N 1 3 366.575 3.161 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812589 714254082 /nfs/dbraw/zinc/25/40/82/714254082.db2.gz MFWIVYLLIIEXDK-AEFFLSMTSA-N 1 3 366.575 3.161 20 0 FGADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ncc1Br ZINC000623424821 715333674 /nfs/dbraw/zinc/33/36/74/715333674.db2.gz GIRYIDQGCQTGJN-GASCZTMLSA-N 1 3 370.335 3.132 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513043 715351707 /nfs/dbraw/zinc/35/17/07/715351707.db2.gz GWTKIBCJAUFLNK-KRWDZBQOSA-N 1 3 351.922 3.139 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326737 715512289 /nfs/dbraw/zinc/51/22/89/715512289.db2.gz SSHLHTLAEQXLSN-IPMKNSEASA-N 1 3 351.485 3.074 20 0 FGADHO CN(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326737 715512293 /nfs/dbraw/zinc/51/22/93/715512293.db2.gz SSHLHTLAEQXLSN-IPMKNSEASA-N 1 3 351.485 3.074 20 0 FGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552373 716306019 /nfs/dbraw/zinc/30/60/19/716306019.db2.gz IOTGGBHOXBMVAT-RBUKOAKNSA-N 1 3 361.921 3.213 20 0 FGADHO CN(C)C[C@@H](NC(=O)CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633766059 716990217 /nfs/dbraw/zinc/99/02/17/716990217.db2.gz LIJYYOAMKUSELI-MRXNPFEDSA-N 1 3 359.436 3.156 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734096 717111749 /nfs/dbraw/zinc/11/17/49/717111749.db2.gz WPXVYHHWCHGAMC-DZGCQCFKSA-N 1 3 367.921 3.434 20 0 FGADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531806 718120081 /nfs/dbraw/zinc/12/00/81/718120081.db2.gz OXIOPQJIOYBYEM-ZDUSSCGKSA-N 1 3 355.404 3.108 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccccc3Br)C2)C1 ZINC000650705716 718717095 /nfs/dbraw/zinc/71/70/95/718717095.db2.gz STXRKIDVAWZLNX-BFYDXBDKSA-N 1 3 353.304 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722813 718720675 /nfs/dbraw/zinc/72/06/75/718720675.db2.gz BTPRSTYSBYDQJM-FRFSOERESA-N 1 3 358.404 3.288 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CCN ZINC000652354443 718936434 /nfs/dbraw/zinc/93/64/34/718936434.db2.gz YRIMNLNEYHOFDN-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CCN ZINC000652354443 718936435 /nfs/dbraw/zinc/93/64/35/718936435.db2.gz YRIMNLNEYHOFDN-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354443 718936436 /nfs/dbraw/zinc/93/64/36/718936436.db2.gz YRIMNLNEYHOFDN-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442696 719293722 /nfs/dbraw/zinc/29/37/22/719293722.db2.gz VXJGJEPDIXHVRR-SQGPQFPESA-N 1 3 361.555 3.027 20 0 FGADHO C(CCCCN1C[C@H]2CC[C@@H](C1)O2)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000781898466 724608871 /nfs/dbraw/zinc/60/88/71/724608871.db2.gz LIFDVWGLNICLOU-FXELSEDVSA-N 1 3 350.547 3.444 20 0 FGADHO C(CCCCN1C[C@H]2CC[C@@H](C1)O2)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000781898466 724608874 /nfs/dbraw/zinc/60/88/74/724608874.db2.gz LIFDVWGLNICLOU-FXELSEDVSA-N 1 3 350.547 3.444 20 0 FGADHO CC[C@@H]1C[N@H+](CCCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903692 724609980 /nfs/dbraw/zinc/60/99/80/724609980.db2.gz HEWCMBNPTUCJKV-MSOLQXFVSA-N 1 3 353.551 3.488 20 0 FGADHO CC[C@@H]1C[N@@H+](CCCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903692 724609983 /nfs/dbraw/zinc/60/99/83/724609983.db2.gz HEWCMBNPTUCJKV-MSOLQXFVSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccncc2s1 ZINC000657936390 719734172 /nfs/dbraw/zinc/73/41/72/719734172.db2.gz QKOJKEVTDIZMCQ-CQSZACIVSA-N 1 3 356.495 3.483 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000660338946 720032939 /nfs/dbraw/zinc/03/29/39/720032939.db2.gz NSTJUPUPRLRRHR-DLBZAZTESA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338946 720032942 /nfs/dbraw/zinc/03/29/42/720032942.db2.gz NSTJUPUPRLRRHR-DLBZAZTESA-N 1 3 366.575 3.303 20 0 FGADHO C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000663444955 720514986 /nfs/dbraw/zinc/51/49/86/720514986.db2.gz NDOJQHWPRRHHDB-IRXDYDNUSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000663444957 720515046 /nfs/dbraw/zinc/51/50/46/720515046.db2.gz NDOJQHWPRRHHDB-SJORKVTESA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H](CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000663444953 720515065 /nfs/dbraw/zinc/51/50/65/720515065.db2.gz NDOJQHWPRRHHDB-IAGOWNOFSA-N 1 3 366.575 3.161 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450622 720515923 /nfs/dbraw/zinc/51/59/23/720515923.db2.gz KGEHIUPHVINNFJ-HOTGVXAUSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450622 720515926 /nfs/dbraw/zinc/51/59/26/720515926.db2.gz KGEHIUPHVINNFJ-HOTGVXAUSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000665639338 720794480 /nfs/dbraw/zinc/79/44/80/720794480.db2.gz VKIJZBZXGZTNTO-HOTGVXAUSA-N 1 3 368.953 3.314 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000665639338 720794483 /nfs/dbraw/zinc/79/44/83/720794483.db2.gz VKIJZBZXGZTNTO-HOTGVXAUSA-N 1 3 368.953 3.314 20 0 FGADHO Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1N ZINC001164908944 721722203 /nfs/dbraw/zinc/72/22/03/721722203.db2.gz ZUNIWZQXVXVYKD-IBGZPJMESA-N 1 3 373.451 3.105 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000675733731 721771203 /nfs/dbraw/zinc/77/12/03/721771203.db2.gz KQVJPSDPPNMXCF-MRXNPFEDSA-N 1 3 366.347 3.492 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469576 722444896 /nfs/dbraw/zinc/44/48/96/722444896.db2.gz ZMSSIPVBUDOZHH-SFHVURJKSA-N 1 3 353.551 3.345 20 0 FGADHO O=C(OCCC[NH+]1CCCCC1)C1CCN(c2cccc(Cl)c2)C1=O ZINC000747758687 722659833 /nfs/dbraw/zinc/65/98/33/722659833.db2.gz NLCNKPBAGJKKTD-KRWDZBQOSA-N 1 3 364.873 3.112 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)F)cc1CN1CCCCC1 ZINC000760036229 723034836 /nfs/dbraw/zinc/03/48/36/723034836.db2.gz DKSZDSOCOXIZNG-YOEHRIQHSA-N 1 3 356.457 3.348 20 0 FGADHO CCC[NH+]1CCC(CNCc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000796285051 723630307 /nfs/dbraw/zinc/63/03/07/723630307.db2.gz PPTVGMMWJKCFJF-UHFFFAOYSA-N 1 3 361.921 3.441 20 0 FGADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(Cl)n1 ZINC000797594930 723839456 /nfs/dbraw/zinc/83/94/56/723839456.db2.gz YGAZLOPJIQMYBD-UHFFFAOYSA-N 1 3 359.901 3.290 20 0 FGADHO CN1CCC[C@@H](C[N@H+](C)C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053310 727027225 /nfs/dbraw/zinc/02/72/25/727027225.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 1 3 373.310 3.069 20 0 FGADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053310 727027231 /nfs/dbraw/zinc/02/72/31/727027231.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 1 3 373.310 3.069 20 0 FGADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000818945636 727328874 /nfs/dbraw/zinc/32/88/74/727328874.db2.gz MSZUZIYJTHANCY-QGZVFWFLSA-N 1 3 371.294 3.012 20 0 FGADHO CCCCN1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819043133 727341335 /nfs/dbraw/zinc/34/13/35/727341335.db2.gz PRWSWCUNGKGJQJ-KRWDZBQOSA-N 1 3 360.420 3.473 20 0 FGADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000823818570 729306597 /nfs/dbraw/zinc/30/65/97/729306597.db2.gz IDKUGTHSHPXXQS-QZTJIDSGSA-N 1 3 355.567 3.493 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000824993116 729367046 /nfs/dbraw/zinc/36/70/46/729367046.db2.gz NUEOFTYUUZFXDX-SQNIBIBYSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000824993116 729367048 /nfs/dbraw/zinc/36/70/48/729367048.db2.gz NUEOFTYUUZFXDX-SQNIBIBYSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000824993113 729367190 /nfs/dbraw/zinc/36/71/90/729367190.db2.gz NUEOFTYUUZFXDX-BZSNNMDCSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000824993113 729367192 /nfs/dbraw/zinc/36/71/92/729367192.db2.gz NUEOFTYUUZFXDX-BZSNNMDCSA-N 1 3 351.535 3.383 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827528807 729431354 /nfs/dbraw/zinc/43/13/54/729431354.db2.gz ALCOGCOWHNEUNA-NRXGSXMXSA-N 1 3 366.937 3.060 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827785340 729434793 /nfs/dbraw/zinc/43/47/93/729434793.db2.gz BKFFHKPEILSBHG-IBGZPJMESA-N 1 3 351.535 3.194 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000829268653 729470493 /nfs/dbraw/zinc/47/04/93/729470493.db2.gz AFBWDLDGKAONAO-QGZVFWFLSA-N 1 3 366.937 3.206 20 0 FGADHO C[C@@](O)(C[NH2+]CCCN1CCCCC1)c1ccc(Br)cc1F ZINC000834353034 729795698 /nfs/dbraw/zinc/79/56/98/729795698.db2.gz AYIMSAXRTNDJOV-QGZVFWFLSA-N 1 3 373.310 3.261 20 0 FGADHO CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000850456626 731358866 /nfs/dbraw/zinc/35/88/66/731358866.db2.gz ASXFINDMZTWGOE-KNXWPPODSA-N 1 3 351.535 3.286 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534303 731370037 /nfs/dbraw/zinc/37/00/37/731370037.db2.gz LJASAKXJZBJTKH-LULLPPNCSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000850534303 731370041 /nfs/dbraw/zinc/37/00/41/731370041.db2.gz LJASAKXJZBJTKH-LULLPPNCSA-N 1 3 350.453 3.301 20 0 FGADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(Br)cc1F ZINC000858133269 732183929 /nfs/dbraw/zinc/18/39/29/732183929.db2.gz MSMYVIXUMGCBIR-HNNXBMFYSA-N 1 3 373.310 3.223 20 0 FGADHO Cc1cc(CNCCCC[N@H+]2CCC[C@H]2CO)c(Br)cc1F ZINC000858133269 732183932 /nfs/dbraw/zinc/18/39/32/732183932.db2.gz MSMYVIXUMGCBIR-HNNXBMFYSA-N 1 3 373.310 3.223 20 0 FGADHO CCC[NH+]1CCC(NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862294245 732806498 /nfs/dbraw/zinc/80/64/98/732806498.db2.gz DLVIUQJGCKIQKX-OAHLLOKOSA-N 1 3 361.477 3.095 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712362 /nfs/dbraw/zinc/71/23/62/736712362.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712365 /nfs/dbraw/zinc/71/23/65/736712365.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 1 3 351.535 3.050 20 0 FGADHO c1sc(CNC2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccncc1 ZINC000877808059 736725813 /nfs/dbraw/zinc/72/58/13/736725813.db2.gz HNMCZPVYCGNQKR-UHFFFAOYSA-N 1 3 351.479 3.359 20 0 FGADHO COC(=O)c1nc(CNC2CCC(C)([NH+]3CCCC3)CC2)ccc1Cl ZINC000886636225 739277877 /nfs/dbraw/zinc/27/78/77/739277877.db2.gz IRYXVWIRFDRVDL-UHFFFAOYSA-N 1 3 365.905 3.408 20 0 FGADHO CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209589 742124756 /nfs/dbraw/zinc/12/47/56/742124756.db2.gz LIBLQPIGLKCNRT-OJDXAPKPSA-N 1 3 351.897 3.439 20 0 FGADHO C[C@@]1(Br)C[C@@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346553 742400430 /nfs/dbraw/zinc/40/04/30/742400430.db2.gz INVFNZSOFHJYQW-IAGOWNOFSA-N 1 3 352.320 3.057 20 0 FGADHO CCc1nc(CN2CCC(CN[C@H]3CC[NH2+]C34CCCC4)CC2)cs1 ZINC000925573832 759507072 /nfs/dbraw/zinc/50/70/72/759507072.db2.gz PYQYJNLSFCKTCW-SFHVURJKSA-N 1 3 362.587 3.182 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1cc(C(F)(F)F)ccc1Br ZINC000925774457 759534532 /nfs/dbraw/zinc/53/45/32/759534532.db2.gz VKNXTFMWXJLLCA-GFCCVEGCSA-N 1 3 369.225 3.311 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925799461 759544317 /nfs/dbraw/zinc/54/43/17/759544317.db2.gz YVVPBIAYPZDJRC-RDJZCZTQSA-N 1 3 354.441 3.487 20 0 FGADHO O=C1O[C@H](CN[C@H]2CCSc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925850581 759558257 /nfs/dbraw/zinc/55/82/57/759558257.db2.gz JPGWMIJUETZYRH-WFASDCNBSA-N 1 3 366.914 3.152 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC001034940898 766250324 /nfs/dbraw/zinc/25/03/24/766250324.db2.gz GMHWETBCWYAKJP-IJEWVQPXSA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC001034940898 766250325 /nfs/dbraw/zinc/25/03/25/766250325.db2.gz GMHWETBCWYAKJP-IJEWVQPXSA-N 1 3 369.962 3.212 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609098 505577719 /nfs/dbraw/zinc/57/77/19/505577719.db2.gz SUUKTLNJTRQMFY-XGHQBKJUSA-N 1 3 357.542 3.136 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000579572222 505577947 /nfs/dbraw/zinc/57/79/47/505577947.db2.gz NLTJXDALOSKDIH-LJQANCHMSA-N 1 3 358.530 3.080 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccsc1 ZINC000570894542 505604556 /nfs/dbraw/zinc/60/45/56/505604556.db2.gz PTYJIYTYQZCVBI-RDJZCZTQSA-N 1 3 354.564 3.159 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000570894542 505604559 /nfs/dbraw/zinc/60/45/59/505604559.db2.gz PTYJIYTYQZCVBI-RDJZCZTQSA-N 1 3 354.564 3.159 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1 ZINC000576985504 505638747 /nfs/dbraw/zinc/63/87/47/505638747.db2.gz CMVXMMJMDMOISS-MBSDFSHPSA-N 1 3 365.521 3.163 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648834 494107822 /nfs/dbraw/zinc/10/78/22/494107822.db2.gz DXOQNZZFPJXIBM-OLZOCXBDSA-N 1 3 370.278 3.426 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648834 494107824 /nfs/dbraw/zinc/10/78/24/494107824.db2.gz DXOQNZZFPJXIBM-OLZOCXBDSA-N 1 3 370.278 3.426 20 0 FGADHO CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571102277 505654303 /nfs/dbraw/zinc/65/43/03/505654303.db2.gz JTESURPBZQQQSK-NRFANRHFSA-N 1 3 371.569 3.320 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000081290843 493862240 /nfs/dbraw/zinc/86/22/40/493862240.db2.gz PQSRQEHKINKBSF-OAQYLSRUSA-N 1 3 355.526 3.277 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000081290843 493862244 /nfs/dbraw/zinc/86/22/44/493862244.db2.gz PQSRQEHKINKBSF-OAQYLSRUSA-N 1 3 355.526 3.277 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2CCCCC2)CC1 ZINC000051128209 493950351 /nfs/dbraw/zinc/95/03/51/493950351.db2.gz JSIAKQIBGLYURZ-UHFFFAOYSA-N 1 3 357.542 3.340 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076983333 494002134 /nfs/dbraw/zinc/00/21/34/494002134.db2.gz FHSMCTVWENOIOT-FQEVSTJZSA-N 1 3 372.557 3.297 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000076983333 494002138 /nfs/dbraw/zinc/00/21/38/494002138.db2.gz FHSMCTVWENOIOT-FQEVSTJZSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000077376725 494070077 /nfs/dbraw/zinc/07/00/77/494070077.db2.gz TXHNZDTXQMOVFW-AWEZNQCLSA-N 1 3 371.447 3.156 20 0 FGADHO CCCOc1c(Cl)cc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000077450045 494086275 /nfs/dbraw/zinc/08/62/75/494086275.db2.gz WLXINIOLDSBYKN-UHFFFAOYSA-N 1 3 370.921 3.074 20 0 FGADHO c1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000580194498 505700730 /nfs/dbraw/zinc/70/07/30/505700730.db2.gz QJRIZJYGYBWKFU-KDURUIRLSA-N 1 3 373.504 3.366 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000065466194 494200685 /nfs/dbraw/zinc/20/06/85/494200685.db2.gz SBRVQADIVHFAQF-NRFANRHFSA-N 1 3 372.557 3.258 20 0 FGADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc3c(c2)OCO3)CC1 ZINC000088668911 494254939 /nfs/dbraw/zinc/25/49/39/494254939.db2.gz VSKTXVVJQLNBAF-UHFFFAOYSA-N 1 3 367.493 3.237 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072868310 494271824 /nfs/dbraw/zinc/27/18/24/494271824.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 1 3 352.478 3.412 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072868310 494271829 /nfs/dbraw/zinc/27/18/29/494271829.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 1 3 352.478 3.412 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000078799680 494363691 /nfs/dbraw/zinc/36/36/91/494363691.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 1 3 357.542 3.420 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000078799680 494363696 /nfs/dbraw/zinc/36/36/96/494363696.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 1 3 357.542 3.420 20 0 FGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382540 505717181 /nfs/dbraw/zinc/71/71/81/505717181.db2.gz XCLMIKOSFVFIDF-LEWJYISDSA-N 1 3 350.510 3.394 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079007713 494391805 /nfs/dbraw/zinc/39/18/05/494391805.db2.gz QQEDWQJRRLQCKQ-OAQYLSRUSA-N 1 3 370.541 3.093 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000073724190 494418772 /nfs/dbraw/zinc/41/87/72/494418772.db2.gz OYTDKOGARWWMNC-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038627 494431402 /nfs/dbraw/zinc/43/14/02/494431402.db2.gz QCDFIOZCPKSLEF-QGZVFWFLSA-N 1 3 371.500 3.228 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079620881 494495470 /nfs/dbraw/zinc/49/54/70/494495470.db2.gz PVIGIHUISRBZPE-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccc([C@H](Cc2ccccc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000568570161 505724717 /nfs/dbraw/zinc/72/47/17/505724717.db2.gz OBNBHHJTCMNGBC-QHCPKHFHSA-N 1 3 368.521 3.415 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000074490527 494546169 /nfs/dbraw/zinc/54/61/69/494546169.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000074490527 494546172 /nfs/dbraw/zinc/54/61/72/494546172.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504114 494553711 /nfs/dbraw/zinc/55/37/11/494553711.db2.gz ZYYUIWPAPHPGBH-FQEVSTJZSA-N 1 3 367.493 3.017 20 0 FGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000091375271 494590708 /nfs/dbraw/zinc/59/07/08/494590708.db2.gz QPJXKOURILGSKX-INIZCTEOSA-N 1 3 373.928 3.352 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120329 494605689 /nfs/dbraw/zinc/60/56/89/494605689.db2.gz UFMJCKLRKRSZAM-LPHOPBHVSA-N 1 3 365.949 3.417 20 0 FGADHO FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)n1 ZINC000067693060 494613327 /nfs/dbraw/zinc/61/33/27/494613327.db2.gz JAPXIVAEISOBTD-OAHLLOKOSA-N 1 3 364.415 3.465 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587169 494677530 /nfs/dbraw/zinc/67/75/30/494677530.db2.gz UGDQFDSZNIQBOI-HOTGVXAUSA-N 1 3 374.554 3.459 20 0 FGADHO COC(=O)c1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821328 494764877 /nfs/dbraw/zinc/76/48/77/494764877.db2.gz ODTFDRQWCPNALE-UHFFFAOYSA-N 1 3 357.454 3.200 20 0 FGADHO CN(C)Cc1cccc(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000092978984 494800510 /nfs/dbraw/zinc/80/05/10/494800510.db2.gz LFZXNHBIOFAUTC-UHFFFAOYSA-N 1 3 370.501 3.075 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126732833 494827743 /nfs/dbraw/zinc/82/77/43/494827743.db2.gz UYDXSVUIAFBCHF-IRLDBZIGSA-N 1 3 367.537 3.371 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126732833 494827746 /nfs/dbraw/zinc/82/77/46/494827746.db2.gz UYDXSVUIAFBCHF-IRLDBZIGSA-N 1 3 367.537 3.371 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000577529618 505745933 /nfs/dbraw/zinc/74/59/33/505745933.db2.gz VVKKRZINDWQVQI-VLCRHTCISA-N 1 3 365.521 3.316 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000577529618 505745935 /nfs/dbraw/zinc/74/59/35/505745935.db2.gz VVKKRZINDWQVQI-VLCRHTCISA-N 1 3 365.521 3.316 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132501404 494884732 /nfs/dbraw/zinc/88/47/32/494884732.db2.gz XGYVUVSAERXQGP-GOSISDBHSA-N 1 3 370.463 3.093 20 0 FGADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(C2CCCCC2)s1 ZINC000577542721 505748181 /nfs/dbraw/zinc/74/81/81/505748181.db2.gz FTXZVCHDBGGILK-UHFFFAOYSA-N 1 3 350.576 3.260 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924905 494933584 /nfs/dbraw/zinc/93/35/84/494933584.db2.gz QYDFIGSELPWSMA-NRFANRHFSA-N 1 3 355.526 3.174 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1N(C)C ZINC000093942790 494937413 /nfs/dbraw/zinc/93/74/13/494937413.db2.gz FVWPAPUJIAOQOQ-LJQANCHMSA-N 1 3 366.553 3.351 20 0 FGADHO CCC(CC)CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127495436 494952288 /nfs/dbraw/zinc/95/22/88/494952288.db2.gz RDEMCOVKFFWEKN-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000127941505 495020457 /nfs/dbraw/zinc/02/04/57/495020457.db2.gz BOJUBRVKZALGFH-WMQCIHAUSA-N 1 3 374.573 3.223 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)N(C)C)cc1 ZINC000127941505 495020462 /nfs/dbraw/zinc/02/04/62/495020462.db2.gz BOJUBRVKZALGFH-WMQCIHAUSA-N 1 3 374.573 3.223 20 0 FGADHO Cc1ccc(C)c([C@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742938 495055230 /nfs/dbraw/zinc/05/52/30/495055230.db2.gz JZSXXRSHBIFXOC-OAQYLSRUSA-N 1 3 357.542 3.429 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000128333946 495081170 /nfs/dbraw/zinc/08/11/70/495081170.db2.gz MTTVVBYDNGVZKK-GIVPXCGWSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000128333946 495081173 /nfs/dbraw/zinc/08/11/73/495081173.db2.gz MTTVVBYDNGVZKK-GIVPXCGWSA-N 1 3 372.557 3.195 20 0 FGADHO COc1cc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)ccc1SC ZINC000128523262 495110693 /nfs/dbraw/zinc/11/06/93/495110693.db2.gz FLOWDBDMYGJFQO-INIZCTEOSA-N 1 3 351.560 3.095 20 0 FGADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123403976 495127370 /nfs/dbraw/zinc/12/73/70/495127370.db2.gz LSNWZCICJBDJDF-GOSISDBHSA-N 1 3 357.542 3.014 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668715 495132589 /nfs/dbraw/zinc/13/25/89/495132589.db2.gz MZWJIYKKWFXIRS-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119617243 495202396 /nfs/dbraw/zinc/20/23/96/495202396.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119617243 495202400 /nfs/dbraw/zinc/20/24/00/495202400.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305520 495217046 /nfs/dbraw/zinc/21/70/46/495217046.db2.gz SZNGRIMQVAHDES-VQTJNVASSA-N 1 3 364.578 3.158 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119760198 495235028 /nfs/dbraw/zinc/23/50/28/495235028.db2.gz SBBPGSYGNYDTRT-UNMCSNQZSA-N 1 3 365.521 3.447 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119760198 495235031 /nfs/dbraw/zinc/23/50/31/495235031.db2.gz SBBPGSYGNYDTRT-UNMCSNQZSA-N 1 3 365.521 3.447 20 0 FGADHO COC[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990930 495265203 /nfs/dbraw/zinc/26/52/03/495265203.db2.gz BKWDPQFNPSQRBV-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990930 495265205 /nfs/dbraw/zinc/26/52/05/495265205.db2.gz BKWDPQFNPSQRBV-VXKWHMMOSA-N 1 3 360.542 3.403 20 0 FGADHO CCCOc1ccc(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119916252 495269055 /nfs/dbraw/zinc/26/90/55/495269055.db2.gz OGYMGQKPAIEHBL-UHFFFAOYSA-N 1 3 370.925 3.086 20 0 FGADHO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000120133518 495313521 /nfs/dbraw/zinc/31/35/21/495313521.db2.gz SXVJSPNMBWWUQL-AUSIDOKSSA-N 1 3 365.521 3.276 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104947499 495318103 /nfs/dbraw/zinc/31/81/03/495318103.db2.gz SBSDIQWTNUWIQF-QGZVFWFLSA-N 1 3 374.447 3.109 20 0 FGADHO CN1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)(N2CCCCC2)CC1 ZINC000124714427 495332050 /nfs/dbraw/zinc/33/20/50/495332050.db2.gz QHTBWMZTHGAMQW-UHFFFAOYSA-N 1 3 370.585 3.195 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1F ZINC000130101948 495341448 /nfs/dbraw/zinc/34/14/48/495341448.db2.gz MQYKQASGIQEULF-UHFFFAOYSA-N 1 3 371.456 3.356 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1F ZINC000130101948 495341452 /nfs/dbraw/zinc/34/14/52/495341452.db2.gz MQYKQASGIQEULF-UHFFFAOYSA-N 1 3 371.456 3.356 20 0 FGADHO CC(C)CN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000130103606 495342139 /nfs/dbraw/zinc/34/21/39/495342139.db2.gz WTDWFGGHFISNKT-UHFFFAOYSA-N 1 3 360.546 3.123 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)C3CCOCC3)CC2)c1 ZINC000125342321 495429773 /nfs/dbraw/zinc/42/97/73/495429773.db2.gz CKCIUUSUXZNREL-HXUWFJFHSA-N 1 3 359.558 3.302 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120939262 495489140 /nfs/dbraw/zinc/48/91/40/495489140.db2.gz AYFXQTPFDNXAIW-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000120939262 495489143 /nfs/dbraw/zinc/48/91/43/495489143.db2.gz AYFXQTPFDNXAIW-HUUCEWRRSA-N 1 3 367.921 3.387 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154234618 495553710 /nfs/dbraw/zinc/55/37/10/495553710.db2.gz WOKICYZSLVBZIK-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000158871907 495606640 /nfs/dbraw/zinc/60/66/40/495606640.db2.gz PZCQKJDRLFOELN-CTNGQTDRSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000158871907 495606643 /nfs/dbraw/zinc/60/66/43/495606643.db2.gz PZCQKJDRLFOELN-CTNGQTDRSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666118 495655809 /nfs/dbraw/zinc/65/58/09/495655809.db2.gz GPDCODMUXAYVQU-CLCXKQKWSA-N 1 3 356.457 3.131 20 0 FGADHO CN(c1ccccc1C[NH2+]CC1(O)CCCCCC1)C1CCN(C)CC1 ZINC000150937304 495687298 /nfs/dbraw/zinc/68/72/98/495687298.db2.gz NCWIIOZQXFUAPW-UHFFFAOYSA-N 1 3 359.558 3.392 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823545 495708830 /nfs/dbraw/zinc/70/88/30/495708830.db2.gz IVMUIYNJFYANIB-BPQIPLTHSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823545 495708838 /nfs/dbraw/zinc/70/88/38/495708838.db2.gz IVMUIYNJFYANIB-BPQIPLTHSA-N 1 3 366.575 3.255 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096347 495737123 /nfs/dbraw/zinc/73/71/23/495737123.db2.gz FMBFOQJFECITDQ-MRXNPFEDSA-N 1 3 363.933 3.266 20 0 FGADHO Cc1[nH]nc2ncc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807373 /nfs/dbraw/zinc/80/73/73/505807373.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 1 3 361.493 3.220 20 0 FGADHO Cc1[nH]nc2ncc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807376 /nfs/dbraw/zinc/80/73/76/505807376.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 1 3 361.493 3.220 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180108858 495861639 /nfs/dbraw/zinc/86/16/39/495861639.db2.gz FCYQRVZQIWGTDY-QHCPKHFHSA-N 1 3 367.537 3.402 20 0 FGADHO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000186117419 495862305 /nfs/dbraw/zinc/86/23/05/495862305.db2.gz SQHKPTNMAUSWBE-INIZCTEOSA-N 1 3 359.539 3.355 20 0 FGADHO Cc1noc(C)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176983969 495869958 /nfs/dbraw/zinc/86/99/58/495869958.db2.gz MXLVLTRJSRKAOD-UHFFFAOYSA-N 1 3 357.498 3.452 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000571768759 505810711 /nfs/dbraw/zinc/81/07/11/505810711.db2.gz NNUZOZQFEOXFIH-BHIFYINESA-N 1 3 371.569 3.429 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453613 495965704 /nfs/dbraw/zinc/96/57/04/495965704.db2.gz ZHWAWQLSNMQIHH-HMXCVIKNSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000174453613 495965709 /nfs/dbraw/zinc/96/57/09/495965709.db2.gz ZHWAWQLSNMQIHH-HMXCVIKNSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171656402 495974960 /nfs/dbraw/zinc/97/49/60/495974960.db2.gz KRCZBDGVILJOII-QGZVFWFLSA-N 1 3 353.510 3.291 20 0 FGADHO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(OCCN(C)C)cc1 ZINC000180390804 495977334 /nfs/dbraw/zinc/97/73/34/495977334.db2.gz AKMQINGVZWQFSG-UZLBHIALSA-N 1 3 367.493 3.404 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600784 496008786 /nfs/dbraw/zinc/00/87/86/496008786.db2.gz DCFJHTIRBJIYOA-YJBOKZPZSA-N 1 3 351.922 3.169 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000574629972 505819150 /nfs/dbraw/zinc/81/91/50/505819150.db2.gz JYVQUOLCQYVZGC-XLIONFOSSA-N 1 3 364.578 3.394 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000155717198 496045592 /nfs/dbraw/zinc/04/55/92/496045592.db2.gz DQMHKDYLQIELJM-GJZGRUSLSA-N 1 3 369.937 3.034 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)N1CCCCC1 ZINC000580710549 505820206 /nfs/dbraw/zinc/82/02/06/505820206.db2.gz FEQNZPRSDJQXMY-CBQOVEMMSA-N 1 3 360.542 3.296 20 0 FGADHO O=C(CN1C[C@@H]2CCCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513877 496093042 /nfs/dbraw/zinc/09/30/42/496093042.db2.gz LSYYOHQDOJVLSI-SFTDATJTSA-N 1 3 355.526 3.021 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cc(OC)ccc2F)CC1 ZINC000577941104 505823532 /nfs/dbraw/zinc/82/35/32/505823532.db2.gz CKJRKDPIUTWSCK-UHFFFAOYSA-N 1 3 371.500 3.262 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000155985373 496125856 /nfs/dbraw/zinc/12/58/56/496125856.db2.gz XEOFXNLOWHFYKB-RXVVDRJESA-N 1 3 357.542 3.278 20 0 FGADHO c1nc(-c2ccncc2)sc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000569013515 505830688 /nfs/dbraw/zinc/83/06/88/505830688.db2.gz DJRVBLDFFFKVFP-UHFFFAOYSA-N 1 3 372.538 3.282 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152686950 496226656 /nfs/dbraw/zinc/22/66/56/496226656.db2.gz FWLQOEOZPGMQLX-UHFFFAOYSA-N 1 3 352.567 3.011 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000177877111 496235144 /nfs/dbraw/zinc/23/51/44/496235144.db2.gz XMJLPUOTAWLATB-ROUUACIJSA-N 1 3 360.546 3.099 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000177877111 496235146 /nfs/dbraw/zinc/23/51/46/496235146.db2.gz XMJLPUOTAWLATB-ROUUACIJSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037161 496299481 /nfs/dbraw/zinc/29/94/81/496299481.db2.gz JDNTTXLCCXIYMW-RDJZCZTQSA-N 1 3 374.447 3.371 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000153112579 496357699 /nfs/dbraw/zinc/35/76/99/496357699.db2.gz KQGZSMLJOJFICC-UHFFFAOYSA-N 1 3 353.510 3.389 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000153112579 496357703 /nfs/dbraw/zinc/35/77/03/496357703.db2.gz KQGZSMLJOJFICC-UHFFFAOYSA-N 1 3 353.510 3.389 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000175555201 496440875 /nfs/dbraw/zinc/44/08/75/496440875.db2.gz WSMUUFVFIUYQPK-UHFFFAOYSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000175641935 496478931 /nfs/dbraw/zinc/47/89/31/496478931.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000175641935 496478934 /nfs/dbraw/zinc/47/89/34/496478934.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000175641935 496478937 /nfs/dbraw/zinc/47/89/37/496478937.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000175641935 496478939 /nfs/dbraw/zinc/47/89/39/496478939.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 1 3 372.557 3.164 20 0 FGADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000178522584 496485768 /nfs/dbraw/zinc/48/57/68/496485768.db2.gz LVPDCDOHULGDCN-QGZVFWFLSA-N 1 3 355.320 3.337 20 0 FGADHO COc1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000571928815 505847634 /nfs/dbraw/zinc/84/76/34/505847634.db2.gz HRLWBIWXNMLYPK-UHFFFAOYSA-N 1 3 352.478 3.384 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178688791 496541698 /nfs/dbraw/zinc/54/16/98/496541698.db2.gz GXIRGBHHKMWQKD-NHCUHLMSSA-N 1 3 357.542 3.107 20 0 FGADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000153723714 496558616 /nfs/dbraw/zinc/55/86/16/496558616.db2.gz HTOBUSBXUWOIII-CYBMUJFWSA-N 1 3 359.308 3.077 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000153723714 496558624 /nfs/dbraw/zinc/55/86/24/496558624.db2.gz HTOBUSBXUWOIII-CYBMUJFWSA-N 1 3 359.308 3.077 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945536 496608216 /nfs/dbraw/zinc/60/82/16/496608216.db2.gz LOOFSHDIAWQFCW-INIZCTEOSA-N 1 3 374.447 3.251 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945536 496608219 /nfs/dbraw/zinc/60/82/19/496608219.db2.gz LOOFSHDIAWQFCW-INIZCTEOSA-N 1 3 374.447 3.251 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173319022 496641156 /nfs/dbraw/zinc/64/11/56/496641156.db2.gz YNLBKRDLIKIYTL-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260512 496663317 /nfs/dbraw/zinc/66/33/17/496663317.db2.gz ZGSBATQOVPGBDV-DLBZAZTESA-N 1 3 364.555 3.395 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000165929633 496672710 /nfs/dbraw/zinc/67/27/10/496672710.db2.gz WWQCJXFSACWDQZ-UKRRQHHQSA-N 1 3 373.335 3.465 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000173412013 496680924 /nfs/dbraw/zinc/68/09/24/496680924.db2.gz LFTWXNQNACBLTM-CTNGQTDRSA-N 1 3 374.573 3.225 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000173412013 496680931 /nfs/dbraw/zinc/68/09/31/496680931.db2.gz LFTWXNQNACBLTM-CTNGQTDRSA-N 1 3 374.573 3.225 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166241925 496681040 /nfs/dbraw/zinc/68/10/40/496681040.db2.gz XLLXRDNTUUNDKW-NVXWUHKLSA-N 1 3 371.447 3.204 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(OCCN(C)C)cc1 ZINC000168119195 496708872 /nfs/dbraw/zinc/70/88/72/496708872.db2.gz RPOMZDQRAWRVLF-AEFFLSMTSA-N 1 3 372.488 3.091 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000168706542 496711844 /nfs/dbraw/zinc/71/18/44/496711844.db2.gz ZVZSKLIPLNJNEK-VCOUNFBDSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000168706542 496711849 /nfs/dbraw/zinc/71/18/49/496711849.db2.gz ZVZSKLIPLNJNEK-VCOUNFBDSA-N 1 3 365.521 3.303 20 0 FGADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000185231681 496711861 /nfs/dbraw/zinc/71/18/61/496711861.db2.gz UECNWTYHAVJRHP-RBUKOAKNSA-N 1 3 351.579 3.118 20 0 FGADHO Cc1cc2cc([C@@H](C)[NH2+]CCCCN3CCN(CCO)CC3)oc2cc1C ZINC000168899856 496712921 /nfs/dbraw/zinc/71/29/21/496712921.db2.gz VQDAQXBITPSCCY-LJQANCHMSA-N 1 3 373.541 3.090 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)CC1 ZINC000263823313 496735737 /nfs/dbraw/zinc/73/57/37/496735737.db2.gz RFSVUVADPIHAJL-FQEVSTJZSA-N 1 3 357.542 3.332 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273192680 496735996 /nfs/dbraw/zinc/73/59/96/496735996.db2.gz JGVBKFXQAFSCPZ-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273192680 496735998 /nfs/dbraw/zinc/73/59/98/496735998.db2.gz JGVBKFXQAFSCPZ-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000277339479 496741238 /nfs/dbraw/zinc/74/12/38/496741238.db2.gz SIHMXKJPACGBRV-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000247067415 496769617 /nfs/dbraw/zinc/76/96/17/496769617.db2.gz OCVHOGCYVIKHJA-HLIPFELVSA-N 1 3 364.530 3.491 20 0 FGADHO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000191602873 496828614 /nfs/dbraw/zinc/82/86/14/496828614.db2.gz OTZGYVQCDSFCBK-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO CC[NH+]1CCC(NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000268991324 496843702 /nfs/dbraw/zinc/84/37/02/496843702.db2.gz GHBDWKRWEKDXNJ-QFIPXVFZSA-N 1 3 354.494 3.373 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858285 /nfs/dbraw/zinc/85/82/85/496858285.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 1 3 374.573 3.411 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858290 /nfs/dbraw/zinc/85/82/90/496858290.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 1 3 374.573 3.411 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000248058400 496948756 /nfs/dbraw/zinc/94/87/56/496948756.db2.gz ORJBFWMSXFFIND-HKBOAZHASA-N 1 3 370.541 3.092 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000248397331 496993903 /nfs/dbraw/zinc/99/39/03/496993903.db2.gz HYDIJNPXJDXMFD-AFXVXQJMSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@@H](NCCOCC(F)(F)C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000278180444 497029137 /nfs/dbraw/zinc/02/91/37/497029137.db2.gz BLSYKZBIPRAEOI-CYBMUJFWSA-N 1 3 366.399 3.195 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543551 497033779 /nfs/dbraw/zinc/03/37/79/497033779.db2.gz CNXCTTLTEWITGR-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543551 497033785 /nfs/dbraw/zinc/03/37/85/497033785.db2.gz CNXCTTLTEWITGR-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248543551 497033790 /nfs/dbraw/zinc/03/37/90/497033790.db2.gz CNXCTTLTEWITGR-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734393 497093267 /nfs/dbraw/zinc/09/32/67/497093267.db2.gz NFVWWGKRWGRTNT-LPHOPBHVSA-N 1 3 361.555 3.122 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974381 497143302 /nfs/dbraw/zinc/14/33/02/497143302.db2.gz HHBAEKFGIDIMMO-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CCC(CC)(CNC(=O)C[C@H]1CSCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000236846016 497156163 /nfs/dbraw/zinc/15/61/63/497156163.db2.gz VEXLHFLRMZYRJK-AEFFLSMTSA-N 1 3 363.571 3.107 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000192778474 497211913 /nfs/dbraw/zinc/21/19/13/497211913.db2.gz YSJNABXWLKXKMZ-SEJPIABJSA-N 1 3 357.542 3.122 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215382 /nfs/dbraw/zinc/21/53/82/497215382.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215384 /nfs/dbraw/zinc/21/53/84/497215384.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215386 /nfs/dbraw/zinc/21/53/86/497215386.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215389 /nfs/dbraw/zinc/21/53/89/497215389.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237416323 497233495 /nfs/dbraw/zinc/23/34/95/497233495.db2.gz XKODLLYDWXIIHS-WMZOPIPTSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237472457 497242525 /nfs/dbraw/zinc/24/25/25/497242525.db2.gz JNOALMZWHSKYBZ-GCJKJVERSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237472457 497242530 /nfs/dbraw/zinc/24/25/30/497242530.db2.gz JNOALMZWHSKYBZ-GCJKJVERSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000249759870 497244388 /nfs/dbraw/zinc/24/43/88/497244388.db2.gz FXWKIGPZYNSPGJ-OALUTQOASA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000249759870 497244392 /nfs/dbraw/zinc/24/43/92/497244392.db2.gz FXWKIGPZYNSPGJ-OALUTQOASA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924061 497247660 /nfs/dbraw/zinc/24/76/60/497247660.db2.gz OVBUNKMTJZDBAA-OAQYLSRUSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924061 497247665 /nfs/dbraw/zinc/24/76/65/497247665.db2.gz OVBUNKMTJZDBAA-OAQYLSRUSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237560685 497255797 /nfs/dbraw/zinc/25/57/97/497255797.db2.gz MSYPELXEMJVJAZ-MJGOQNOKSA-N 1 3 373.541 3.434 20 0 FGADHO Cc1nn(C)c2ncc(C[NH2+]CC3CCN(Cc4cccs4)CC3)cc12 ZINC000237887483 497308631 /nfs/dbraw/zinc/30/86/31/497308631.db2.gz FZCJYMOYSIAIDZ-UHFFFAOYSA-N 1 3 369.538 3.340 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237939035 497316972 /nfs/dbraw/zinc/31/69/72/497316972.db2.gz AGANJRYKJXTELD-SFTDATJTSA-N 1 3 351.494 3.247 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423348 497321081 /nfs/dbraw/zinc/32/10/81/497321081.db2.gz DRZUUWFXSGDAFR-KDXIVRHGSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423348 497321089 /nfs/dbraw/zinc/32/10/89/497321089.db2.gz DRZUUWFXSGDAFR-KDXIVRHGSA-N 1 3 368.525 3.283 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000237968647 497321324 /nfs/dbraw/zinc/32/13/24/497321324.db2.gz WRDPRRZZSLUHGY-VCYXJBJXSA-N 1 3 355.526 3.169 20 0 FGADHO O=C(C1CC[NH2+]CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000238109087 497340314 /nfs/dbraw/zinc/34/03/14/497340314.db2.gz WIUBOWIKFWMUIW-UHFFFAOYSA-N 1 3 355.526 3.033 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550162 497411405 /nfs/dbraw/zinc/41/14/05/497411405.db2.gz CBJZRYVRKBAFKE-WMLDXEAASA-N 1 3 355.320 3.193 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245607341 497471489 /nfs/dbraw/zinc/47/14/89/497471489.db2.gz APLNWQAHUUAZEA-GIVPXCGWSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245607341 497471496 /nfs/dbraw/zinc/47/14/96/497471496.db2.gz APLNWQAHUUAZEA-GIVPXCGWSA-N 1 3 372.557 3.099 20 0 FGADHO Cc1nn(C)c(C)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245666860 497493427 /nfs/dbraw/zinc/49/34/27/497493427.db2.gz GTIHSRJLZIYHEP-WKCHPHFGSA-N 1 3 352.526 3.365 20 0 FGADHO Cc1nn(C)c(C)c1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245666860 497493433 /nfs/dbraw/zinc/49/34/33/497493433.db2.gz GTIHSRJLZIYHEP-WKCHPHFGSA-N 1 3 352.526 3.365 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245665320 497493993 /nfs/dbraw/zinc/49/39/93/497493993.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245665320 497493998 /nfs/dbraw/zinc/49/39/98/497493998.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 1 3 372.557 3.386 20 0 FGADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729667 497519191 /nfs/dbraw/zinc/51/91/91/497519191.db2.gz QATBLEYKBBPXBP-WKCHPHFGSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729667 497519198 /nfs/dbraw/zinc/51/91/98/497519198.db2.gz QATBLEYKBBPXBP-WKCHPHFGSA-N 1 3 355.526 3.174 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N2CCCC2)cc1 ZINC000262253996 497530484 /nfs/dbraw/zinc/53/04/84/497530484.db2.gz IVLMQOFDHACFBR-HKHIRDCPSA-N 1 3 369.553 3.402 20 0 FGADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000279860024 497567151 /nfs/dbraw/zinc/56/71/51/497567151.db2.gz SMWJTAVAQBOAOX-BXXSPATCSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245916382 497570366 /nfs/dbraw/zinc/57/03/66/497570366.db2.gz WPFIXUADUBZION-GUDVDZBRSA-N 1 3 366.571 3.197 20 0 FGADHO CN1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000245956530 497583080 /nfs/dbraw/zinc/58/30/80/497583080.db2.gz CSBVSOOTKDMKFD-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132703 505917181 /nfs/dbraw/zinc/91/71/81/505917181.db2.gz MMNKSXQFBSXUPF-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000581132703 505917183 /nfs/dbraw/zinc/91/71/83/505917183.db2.gz MMNKSXQFBSXUPF-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000190818953 497613662 /nfs/dbraw/zinc/61/36/62/497613662.db2.gz NLUPGWQVESVKBT-UHFFFAOYSA-N 1 3 359.558 3.364 20 0 FGADHO CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272463097 497635112 /nfs/dbraw/zinc/63/51/12/497635112.db2.gz KPEAEMZLYSJHTE-UWJYYQICSA-N 1 3 351.494 3.046 20 0 FGADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000262853609 497637466 /nfs/dbraw/zinc/63/74/66/497637466.db2.gz KJDGWCYHNYJRJL-SFHVURJKSA-N 1 3 352.482 3.221 20 0 FGADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272529236 497652904 /nfs/dbraw/zinc/65/29/04/497652904.db2.gz AIIJNQRUSDOVKH-IEBWSBKVSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H](NCCNC(=O)c1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529236 497652907 /nfs/dbraw/zinc/65/29/07/497652907.db2.gz AIIJNQRUSDOVKH-IEBWSBKVSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H](NCCNC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529236 497652912 /nfs/dbraw/zinc/65/29/12/497652912.db2.gz AIIJNQRUSDOVKH-IEBWSBKVSA-N 1 3 369.484 3.056 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C ZINC000194413513 497658311 /nfs/dbraw/zinc/65/83/11/497658311.db2.gz DFIYUSFICFEIFI-NRFANRHFSA-N 1 3 354.494 3.250 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C ZINC000194413513 497658316 /nfs/dbraw/zinc/65/83/16/497658316.db2.gz DFIYUSFICFEIFI-NRFANRHFSA-N 1 3 354.494 3.250 20 0 FGADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000272667993 497696458 /nfs/dbraw/zinc/69/64/58/497696458.db2.gz JNYLBXPIINAFQZ-XUVXKRRUSA-N 1 3 354.498 3.201 20 0 FGADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000272667983 497696957 /nfs/dbraw/zinc/69/69/57/497696957.db2.gz JNYLBXPIINAFQZ-SLFFLAALSA-N 1 3 354.498 3.201 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272672766 497697805 /nfs/dbraw/zinc/69/78/05/497697805.db2.gz PYJKHURBSPSPKH-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000276979256 497706139 /nfs/dbraw/zinc/70/61/39/497706139.db2.gz YZMJPLWHCCUQKN-CJNGLKHVSA-N 1 3 359.495 3.169 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000276979256 497706146 /nfs/dbraw/zinc/70/61/46/497706146.db2.gz YZMJPLWHCCUQKN-CJNGLKHVSA-N 1 3 359.495 3.169 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246380750 497714914 /nfs/dbraw/zinc/71/49/14/497714914.db2.gz HPDCILBTUXGVRD-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000246380750 497714921 /nfs/dbraw/zinc/71/49/21/497714921.db2.gz HPDCILBTUXGVRD-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719252 /nfs/dbraw/zinc/71/92/52/497719252.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719254 /nfs/dbraw/zinc/71/92/54/497719254.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 1 3 372.557 3.021 20 0 FGADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000246422784 497729954 /nfs/dbraw/zinc/72/99/54/497729954.db2.gz NHQUTAGPMZUQAA-IAOVAPTHSA-N 1 3 351.560 3.432 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229251 497783532 /nfs/dbraw/zinc/78/35/32/497783532.db2.gz OPARCIWBONVAAF-ZYSHUDEJSA-N 1 3 354.922 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229251 497783535 /nfs/dbraw/zinc/78/35/35/497783535.db2.gz OPARCIWBONVAAF-ZYSHUDEJSA-N 1 3 354.922 3.195 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000273155103 497804829 /nfs/dbraw/zinc/80/48/29/497804829.db2.gz ALNFLKQYKFPJRR-OAHLLOKOSA-N 1 3 351.560 3.243 20 0 FGADHO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@]4(CCN(C)C4)C3)n2)cc1F ZINC000292057327 497859553 /nfs/dbraw/zinc/85/95/53/497859553.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 1 3 358.461 3.144 20 0 FGADHO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@]4(CCN(C)C4)C3)n2)cc1F ZINC000292057327 497859559 /nfs/dbraw/zinc/85/95/59/497859559.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 1 3 358.461 3.144 20 0 FGADHO CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452768 505939581 /nfs/dbraw/zinc/93/95/81/505939581.db2.gz QVPRCIXSNYFZHA-RTWAWAEBSA-N 1 3 365.521 3.493 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000572319053 505940410 /nfs/dbraw/zinc/94/04/10/505940410.db2.gz FIBSWLMDMZUJFK-GHTZIAJQSA-N 1 3 369.509 3.280 20 0 FGADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000578486971 505951706 /nfs/dbraw/zinc/95/17/06/505951706.db2.gz COBZFXPPRNDUCB-QFIPXVFZSA-N 1 3 356.485 3.026 20 0 FGADHO COc1ncccc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000569653941 505985048 /nfs/dbraw/zinc/98/50/48/505985048.db2.gz WLPZGVQYIJHXQH-PWRODBHTSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000569653941 505985050 /nfs/dbraw/zinc/98/50/50/505985050.db2.gz WLPZGVQYIJHXQH-PWRODBHTSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000569653941 505985052 /nfs/dbraw/zinc/98/50/52/505985052.db2.gz WLPZGVQYIJHXQH-PWRODBHTSA-N 1 3 351.494 3.133 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)s1 ZINC000578634072 505986175 /nfs/dbraw/zinc/98/61/75/505986175.db2.gz JNBCVCFRRIDFKY-XYJFISCASA-N 1 3 363.571 3.210 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)s1 ZINC000578634072 505986180 /nfs/dbraw/zinc/98/61/80/505986180.db2.gz JNBCVCFRRIDFKY-XYJFISCASA-N 1 3 363.571 3.210 20 0 FGADHO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998725 /nfs/dbraw/zinc/99/87/25/505998725.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 1 3 364.489 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998727 /nfs/dbraw/zinc/99/87/27/505998727.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 1 3 364.489 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998977 /nfs/dbraw/zinc/99/89/77/505998977.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 1 3 364.489 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998980 /nfs/dbraw/zinc/99/89/80/505998980.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 1 3 364.489 3.427 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@H]1CCCN(C2CCC2)C1 ZINC000285990243 498260515 /nfs/dbraw/zinc/26/05/15/498260515.db2.gz GZFYWWXVFCHEGJ-UXLLHSPISA-N 1 3 357.498 3.321 20 0 FGADHO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738848 506009977 /nfs/dbraw/zinc/00/99/77/506009977.db2.gz FXFNSVFGNVCCOH-NVXWUHKLSA-N 1 3 370.440 3.015 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756744 506014110 /nfs/dbraw/zinc/01/41/10/506014110.db2.gz JOIHBIUTEGSDBB-PXNSSMCTSA-N 1 3 354.498 3.023 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921310 498319626 /nfs/dbraw/zinc/31/96/26/498319626.db2.gz JLNNHXLMWUTSNQ-OAQYLSRUSA-N 1 3 365.537 3.301 20 0 FGADHO COc1ccc([C@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CCCN2C)cc1 ZINC000365236262 498366629 /nfs/dbraw/zinc/36/66/29/498366629.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 1 3 357.542 3.293 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccncc2)s1 ZINC000575956250 506041005 /nfs/dbraw/zinc/04/10/05/506041005.db2.gz QEOYEOLZBWHHLM-GOSISDBHSA-N 1 3 373.570 3.053 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681330 506043534 /nfs/dbraw/zinc/04/35/34/506043534.db2.gz KSKPQHNIMRYIBG-BDTNDASRSA-N 1 3 372.553 3.320 20 0 FGADHO C[N@H+](CCOc1ccc(F)cc1Cl)C1CCN(C2CCOCC2)CC1 ZINC000362327908 498497973 /nfs/dbraw/zinc/49/79/73/498497973.db2.gz VDJUPTXGFHQXEH-UHFFFAOYSA-N 1 3 370.896 3.433 20 0 FGADHO C[N@@H+](CCOc1ccc(F)cc1Cl)C1CCN(C2CCOCC2)CC1 ZINC000362327908 498497980 /nfs/dbraw/zinc/49/79/80/498497980.db2.gz VDJUPTXGFHQXEH-UHFFFAOYSA-N 1 3 370.896 3.433 20 0 FGADHO CN(C)C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000287193065 498666944 /nfs/dbraw/zinc/66/69/44/498666944.db2.gz YSLNVPRXVSKEPF-IBGZPJMESA-N 1 3 358.461 3.312 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287193065 498666937 /nfs/dbraw/zinc/66/69/37/498666937.db2.gz YSLNVPRXVSKEPF-IBGZPJMESA-N 1 3 358.461 3.312 20 0 FGADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000303485518 498680308 /nfs/dbraw/zinc/68/03/08/498680308.db2.gz QYUWGBGXRUBGHW-HXUWFJFHSA-N 1 3 374.573 3.318 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000287300772 498706704 /nfs/dbraw/zinc/70/67/04/498706704.db2.gz DPLJYTOCAVZSQD-NVXWUHKLSA-N 1 3 350.503 3.164 20 0 FGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000287300772 498706709 /nfs/dbraw/zinc/70/67/09/498706709.db2.gz DPLJYTOCAVZSQD-NVXWUHKLSA-N 1 3 350.503 3.164 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000283132696 498791215 /nfs/dbraw/zinc/79/12/15/498791215.db2.gz NMWAQCTYOVFHLD-UHFFFAOYSA-N 1 3 365.521 3.166 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000320864004 498810684 /nfs/dbraw/zinc/81/06/84/498810684.db2.gz JIBYRTVROFQFJC-KGLIPLIRSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000283196866 498813370 /nfs/dbraw/zinc/81/33/70/498813370.db2.gz RCBNUKUCEYLADM-IRFCIJBXSA-N 1 3 369.553 3.391 20 0 FGADHO C[NH+](C)CCOCCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000576218169 506105181 /nfs/dbraw/zinc/10/51/81/506105181.db2.gz LIHYJASWLIWVFL-INIZCTEOSA-N 1 3 363.502 3.494 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295141393 498924404 /nfs/dbraw/zinc/92/44/04/498924404.db2.gz ZUNZHBFAVKLCEF-AQXGTKIOSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141393 498924409 /nfs/dbraw/zinc/92/44/09/498924409.db2.gz ZUNZHBFAVKLCEF-AQXGTKIOSA-N 1 3 363.933 3.292 20 0 FGADHO C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)N1[C@H](C)CC[C@H]1C ZINC000299149509 498979775 /nfs/dbraw/zinc/97/97/75/498979775.db2.gz YRHTZJJJHSWRLS-BRWVUGGUSA-N 1 3 358.530 3.393 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@](C)(O)c1ccccc1Cl ZINC000363794957 498997316 /nfs/dbraw/zinc/99/73/16/498997316.db2.gz FHIBEAMGVUETBG-GIYDNNGJSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@](C)(O)c1ccccc1Cl ZINC000363794957 498997317 /nfs/dbraw/zinc/99/73/17/498997317.db2.gz FHIBEAMGVUETBG-GIYDNNGJSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662491 499023325 /nfs/dbraw/zinc/02/33/25/499023325.db2.gz FTPDBBKYUFDXHE-QCFAMHMHSA-N 1 3 361.574 3.410 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140202 506127112 /nfs/dbraw/zinc/12/71/12/506127112.db2.gz FFQDPJDSPOJALA-KRWDZBQOSA-N 1 3 350.576 3.259 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000299335778 499028022 /nfs/dbraw/zinc/02/80/22/499028022.db2.gz PWRQSAHDFGOIIM-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079068 506128225 /nfs/dbraw/zinc/12/82/25/506128225.db2.gz QMCYTQKRKHQQJG-SFHVURJKSA-N 1 3 363.933 3.468 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000284451466 499109742 /nfs/dbraw/zinc/10/97/42/499109742.db2.gz UJERVRGIKLZGJE-PWRODBHTSA-N 1 3 358.526 3.453 20 0 FGADHO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cn1 ZINC000366948031 499120772 /nfs/dbraw/zinc/12/07/72/499120772.db2.gz ZUOSAUGLDJNRKU-UTKZUKDTSA-N 1 3 360.546 3.367 20 0 FGADHO CCn1cc([C@H]2OCC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000366948031 499120774 /nfs/dbraw/zinc/12/07/74/499120774.db2.gz ZUOSAUGLDJNRKU-UTKZUKDTSA-N 1 3 360.546 3.367 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000576333358 506132981 /nfs/dbraw/zinc/13/29/81/506132981.db2.gz CWVWUBUZSXIUOR-LAUBAEHRSA-N 1 3 368.525 3.239 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000370111169 499182198 /nfs/dbraw/zinc/18/21/98/499182198.db2.gz KUXMLSAJGGVACO-PBHICJAKSA-N 1 3 366.347 3.268 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184244 /nfs/dbraw/zinc/18/42/44/499184244.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 1 3 358.530 3.250 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184247 /nfs/dbraw/zinc/18/42/47/499184247.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 1 3 358.530 3.250 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291635 506137269 /nfs/dbraw/zinc/13/72/69/506137269.db2.gz YUUYCJSTWRPOGO-GOSISDBHSA-N 1 3 360.571 3.453 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291635 506137270 /nfs/dbraw/zinc/13/72/70/506137270.db2.gz YUUYCJSTWRPOGO-GOSISDBHSA-N 1 3 360.571 3.453 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291636 506137571 /nfs/dbraw/zinc/13/75/71/506137571.db2.gz YUUYCJSTWRPOGO-SFHVURJKSA-N 1 3 360.571 3.453 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291636 506137575 /nfs/dbraw/zinc/13/75/75/506137575.db2.gz YUUYCJSTWRPOGO-SFHVURJKSA-N 1 3 360.571 3.453 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370636892 499238307 /nfs/dbraw/zinc/23/83/07/499238307.db2.gz SLDDWLSHAIDRHL-ZBFHGGJFSA-N 1 3 353.457 3.107 20 0 FGADHO C[C@@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCO1 ZINC000370730542 499249202 /nfs/dbraw/zinc/24/92/02/499249202.db2.gz OYRGDLAATPHQIK-ADHNFCLRSA-N 1 3 371.569 3.273 20 0 FGADHO CN1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773614 499253157 /nfs/dbraw/zinc/25/31/57/499253157.db2.gz OXGXKOXCHMHSQK-YOEHRIQHSA-N 1 3 371.447 3.332 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424828 499294720 /nfs/dbraw/zinc/29/47/20/499294720.db2.gz ALLAMIWCNAYNIV-DYESRHJHSA-N 1 3 361.505 3.329 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)c2ccc(F)cc2C1 ZINC000368630965 499315755 /nfs/dbraw/zinc/31/57/55/499315755.db2.gz HOESACJAZDZKEK-HRAATJIYSA-N 1 3 361.505 3.331 20 0 FGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000369062602 499361754 /nfs/dbraw/zinc/36/17/54/499361754.db2.gz HRIYWHJSVGEYKF-YJBOKZPZSA-N 1 3 369.475 3.395 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@@H](N)c1ccccc1 ZINC000372099329 499399037 /nfs/dbraw/zinc/39/90/37/499399037.db2.gz SZMMAGWYXRNEDC-IAAVTCLWSA-N 1 3 357.523 3.193 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)[C@@H](N)c1ccccc1 ZINC000372099329 499399039 /nfs/dbraw/zinc/39/90/39/499399039.db2.gz SZMMAGWYXRNEDC-IAAVTCLWSA-N 1 3 357.523 3.193 20 0 FGADHO Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000372348724 499423736 /nfs/dbraw/zinc/42/37/36/499423736.db2.gz QSRVMQPSTUMWDZ-UYAOXDASSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348724 499423738 /nfs/dbraw/zinc/42/37/38/499423738.db2.gz QSRVMQPSTUMWDZ-UYAOXDASSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348724 499423740 /nfs/dbraw/zinc/42/37/40/499423740.db2.gz QSRVMQPSTUMWDZ-UYAOXDASSA-N 1 3 366.509 3.219 20 0 FGADHO CC1CC[NH+](CC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)CC1 ZINC000372392630 499428093 /nfs/dbraw/zinc/42/80/93/499428093.db2.gz XLCJXYMEXVTRRZ-UHFFFAOYSA-N 1 3 353.514 3.416 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369661941 499433190 /nfs/dbraw/zinc/43/31/90/499433190.db2.gz PXXVBZRRLMSPHG-LJQANCHMSA-N 1 3 372.557 3.064 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369661941 499433192 /nfs/dbraw/zinc/43/31/92/499433192.db2.gz PXXVBZRRLMSPHG-LJQANCHMSA-N 1 3 372.557 3.064 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000369768399 499441683 /nfs/dbraw/zinc/44/16/83/499441683.db2.gz WOGPSPILIFCTEG-CRAIPNDOSA-N 1 3 355.448 3.163 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000369768399 499441684 /nfs/dbraw/zinc/44/16/84/499441684.db2.gz WOGPSPILIFCTEG-CRAIPNDOSA-N 1 3 355.448 3.163 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558665 499476870 /nfs/dbraw/zinc/47/68/70/499476870.db2.gz CQIXLAWLRPWUNY-JQERWDHBSA-N 1 3 374.525 3.170 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558665 499476871 /nfs/dbraw/zinc/47/68/71/499476871.db2.gz CQIXLAWLRPWUNY-JQERWDHBSA-N 1 3 374.525 3.170 20 0 FGADHO CN1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)(N2CCCCC2)CC1 ZINC000373640997 499481286 /nfs/dbraw/zinc/48/12/86/499481286.db2.gz ADSIKDCODRDKKW-NRFANRHFSA-N 1 3 356.558 3.463 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325878 499507613 /nfs/dbraw/zinc/50/76/13/499507613.db2.gz HXPIGXJFCXRUGI-HSZRJFAPSA-N 1 3 371.569 3.274 20 0 FGADHO Cc1ccccc1OC[C@H](O)CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000582176187 506151820 /nfs/dbraw/zinc/15/18/20/506151820.db2.gz GXHZWNKZUKTBAV-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1ccccc1OC[C@H](O)CNCc1ccccc1C[N@H+](C)C(C)C ZINC000582176187 506151825 /nfs/dbraw/zinc/15/18/25/506151825.db2.gz GXHZWNKZUKTBAV-OAQYLSRUSA-N 1 3 356.510 3.365 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)CC1 ZINC000376417978 499607240 /nfs/dbraw/zinc/60/72/40/499607240.db2.gz WDKQGYOYHOCJMP-UHFFFAOYSA-N 1 3 367.541 3.068 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)CC1 ZINC000376417978 499607241 /nfs/dbraw/zinc/60/72/41/499607241.db2.gz WDKQGYOYHOCJMP-UHFFFAOYSA-N 1 3 367.541 3.068 20 0 FGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000376674153 499627682 /nfs/dbraw/zinc/62/76/82/499627682.db2.gz UFWZSYMRXVROPO-WBVHZDCISA-N 1 3 369.475 3.395 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307402 499678676 /nfs/dbraw/zinc/67/86/76/499678676.db2.gz IOTBCMVOHVLUNK-PXNSSMCTSA-N 1 3 353.510 3.136 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307402 499678678 /nfs/dbraw/zinc/67/86/78/499678678.db2.gz IOTBCMVOHVLUNK-PXNSSMCTSA-N 1 3 353.510 3.136 20 0 FGADHO CN(Cc1cnnn1-c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000377581277 499706814 /nfs/dbraw/zinc/70/68/14/499706814.db2.gz GKLXHELEYCNHGC-UHFFFAOYSA-N 1 3 362.481 3.011 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377626231 499712225 /nfs/dbraw/zinc/71/22/25/499712225.db2.gz MEAAAGDZOBJFSL-SIKLNZKXSA-N 1 3 357.542 3.173 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377626231 499712227 /nfs/dbraw/zinc/71/22/27/499712227.db2.gz MEAAAGDZOBJFSL-SIKLNZKXSA-N 1 3 357.542 3.173 20 0 FGADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000377632571 499713371 /nfs/dbraw/zinc/71/33/71/499713371.db2.gz SZCRDIZZKMSTOA-KRWDZBQOSA-N 1 3 371.447 3.045 20 0 FGADHO COC(=O)[C@H]1CC12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411285730 499721574 /nfs/dbraw/zinc/72/15/74/499721574.db2.gz VQCWGTUNDLTNKP-HXUWFJFHSA-N 1 3 356.510 3.448 20 0 FGADHO c1cc(CN2CCC(O[C@H]3CCOC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411324469 499726008 /nfs/dbraw/zinc/72/60/08/499726008.db2.gz FTAPURNSVQPMFP-QFIPXVFZSA-N 1 3 358.526 3.442 20 0 FGADHO Cc1cc([C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)ccc1F ZINC000411475998 499745426 /nfs/dbraw/zinc/74/54/26/499745426.db2.gz FSBANTLHEDDPTD-OAQYLSRUSA-N 1 3 361.505 3.164 20 0 FGADHO Cc1cc([C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)ccc1F ZINC000411475994 499745442 /nfs/dbraw/zinc/74/54/42/499745442.db2.gz FSBANTLHEDDPTD-NRFANRHFSA-N 1 3 361.505 3.164 20 0 FGADHO CC(=O)N[C@H](C)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411554995 499762555 /nfs/dbraw/zinc/76/25/55/499762555.db2.gz UZHVOWRXPPPQEN-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203903 499768369 /nfs/dbraw/zinc/76/83/69/499768369.db2.gz VRAKWHUTYCHOGP-SFHVURJKSA-N 1 3 371.525 3.188 20 0 FGADHO CN1CCC2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1=O ZINC000411642201 499772123 /nfs/dbraw/zinc/77/21/23/499772123.db2.gz DUQWEIBYTZCCOV-UHFFFAOYSA-N 1 3 355.526 3.117 20 0 FGADHO C[C@@H]1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@@H](C)C1 ZINC000414323334 499777688 /nfs/dbraw/zinc/77/76/88/499777688.db2.gz IJZXTIIGPQSTNN-IRXDYDNUSA-N 1 3 357.542 3.298 20 0 FGADHO CCC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414343528 499779437 /nfs/dbraw/zinc/77/94/37/499779437.db2.gz QLFNVLIUKCDIHJ-NRFANRHFSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC000414346377 499779537 /nfs/dbraw/zinc/77/95/37/499779537.db2.gz UTCAWHRUFFRYRT-LLGFUMIMSA-N 1 3 357.542 3.298 20 0 FGADHO CCc1ncc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414359159 499780520 /nfs/dbraw/zinc/78/05/20/499780520.db2.gz DLEMATMNEVYOBX-UHFFFAOYSA-N 1 3 368.525 3.200 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683487 499820519 /nfs/dbraw/zinc/82/05/19/499820519.db2.gz BGUVHNFOSZTNLF-UWJYYQICSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683487 499820521 /nfs/dbraw/zinc/82/05/21/499820521.db2.gz BGUVHNFOSZTNLF-UWJYYQICSA-N 1 3 351.494 3.174 20 0 FGADHO C[C@@H]1C[C@H](CN2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000414731579 499824282 /nfs/dbraw/zinc/82/42/82/499824282.db2.gz HZYBXGJHLOKSFS-ZIAGYGMSSA-N 1 3 372.376 3.016 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763806 499827961 /nfs/dbraw/zinc/82/79/61/499827961.db2.gz CNFASWXPXHUDPS-OYRHEFFESA-N 1 3 352.526 3.288 20 0 FGADHO COc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780311 499830531 /nfs/dbraw/zinc/83/05/31/499830531.db2.gz LIHGHHSCXSBPND-CABCVRRESA-N 1 3 353.304 3.279 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414797207 499832293 /nfs/dbraw/zinc/83/22/93/499832293.db2.gz IHHULTKWXORASK-KYJSFNMBSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414797207 499832295 /nfs/dbraw/zinc/83/22/95/499832295.db2.gz IHHULTKWXORASK-KYJSFNMBSA-N 1 3 351.922 3.184 20 0 FGADHO CCOc1c(Br)cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800889 499832438 /nfs/dbraw/zinc/83/24/38/499832438.db2.gz LOCRFURECFUGNP-DZGCQCFKSA-N 1 3 371.319 3.464 20 0 FGADHO Clc1ccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414886211 499841581 /nfs/dbraw/zinc/84/15/81/499841581.db2.gz VPAVBPRRRJOGAI-UHFFFAOYSA-N 1 3 355.873 3.395 20 0 FGADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2ccccc2Br)CC1 ZINC000414924640 499845013 /nfs/dbraw/zinc/84/50/13/499845013.db2.gz IWKDWHLKKCMPFA-KBXCAEBGSA-N 1 3 366.347 3.001 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371646 499849560 /nfs/dbraw/zinc/84/95/60/499849560.db2.gz ZWDNPOYQPYJRKH-QFIPXVFZSA-N 1 3 355.526 3.230 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371646 499849561 /nfs/dbraw/zinc/84/95/61/499849561.db2.gz ZWDNPOYQPYJRKH-QFIPXVFZSA-N 1 3 355.526 3.230 20 0 FGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414982062 499851382 /nfs/dbraw/zinc/85/13/82/499851382.db2.gz YFVOFIZISYHKFR-OAHLLOKOSA-N 1 3 352.404 3.369 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015740 499855415 /nfs/dbraw/zinc/85/54/15/499855415.db2.gz ZDHPNYAILLFDJI-RBBKRZOGSA-N 1 3 352.526 3.334 20 0 FGADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066328 499860261 /nfs/dbraw/zinc/86/02/61/499860261.db2.gz AJXNIZBATCHAGU-CEMLEFRQSA-N 1 3 356.558 3.470 20 0 FGADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c(Oc2ccccc2)c1 ZINC000415088127 499862245 /nfs/dbraw/zinc/86/22/45/499862245.db2.gz USKXJBWREZDVAQ-GOSISDBHSA-N 1 3 367.493 3.074 20 0 FGADHO C[C@H](NC1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415100730 499863640 /nfs/dbraw/zinc/86/36/40/499863640.db2.gz HDBIVQWRACMAEP-FNBIGBAISA-N 1 3 365.275 3.420 20 0 FGADHO CCCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127263 499867473 /nfs/dbraw/zinc/86/74/73/499867473.db2.gz QRMNQQBAZKSXFT-AZUAARDMSA-N 1 3 362.514 3.202 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129594 499867687 /nfs/dbraw/zinc/86/76/87/499867687.db2.gz VGLRFTMPMUKUPZ-FUHWJXTLSA-N 1 3 372.431 3.346 20 0 FGADHO CCCOc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130281 499867718 /nfs/dbraw/zinc/86/77/18/499867718.db2.gz WSJVIPKRMISRAC-ICSRJNTNSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415802711 499919549 /nfs/dbraw/zinc/91/95/49/499919549.db2.gz IQONRQKYLRHGRJ-CYBMUJFWSA-N 1 3 368.909 3.062 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415884664 499924229 /nfs/dbraw/zinc/92/42/29/499924229.db2.gz QMLOZCXSACHKCW-UHFFFAOYSA-N 1 3 358.530 3.308 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415884664 499924231 /nfs/dbraw/zinc/92/42/31/499924231.db2.gz QMLOZCXSACHKCW-UHFFFAOYSA-N 1 3 358.530 3.308 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000415922339 499928846 /nfs/dbraw/zinc/92/88/46/499928846.db2.gz SHPSVKBQFFUTDF-UTKZUKDTSA-N 1 3 366.509 3.438 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415959007 499933734 /nfs/dbraw/zinc/93/37/34/499933734.db2.gz OWKNDAFJCDCMGW-GOSISDBHSA-N 1 3 358.511 3.292 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)N(C)C)cc1 ZINC000415965819 499934531 /nfs/dbraw/zinc/93/45/31/499934531.db2.gz VJMVTRADVAEUPT-FQEVSTJZSA-N 1 3 370.497 3.011 20 0 FGADHO CC[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000415973658 499936025 /nfs/dbraw/zinc/93/60/25/499936025.db2.gz JRZXQRYYNQCACA-HXUWFJFHSA-N 1 3 352.482 3.104 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996081 499939078 /nfs/dbraw/zinc/93/90/78/499939078.db2.gz LYNIBBLNZXNYCT-SJORKVTESA-N 1 3 356.514 3.408 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415996081 499939080 /nfs/dbraw/zinc/93/90/80/499939080.db2.gz LYNIBBLNZXNYCT-SJORKVTESA-N 1 3 356.514 3.408 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000417356880 500047585 /nfs/dbraw/zinc/04/75/85/500047585.db2.gz QMOFFSRXEAODEX-UXHICEINSA-N 1 3 360.546 3.147 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417400216 500061215 /nfs/dbraw/zinc/06/12/15/500061215.db2.gz XWYWPXRGLCRYKU-NRFANRHFSA-N 1 3 368.525 3.403 20 0 FGADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@@H](C)[NH2+]1 ZINC000429413347 500073353 /nfs/dbraw/zinc/07/33/53/500073353.db2.gz UHZQBKIOWNUQTA-QZTJIDSGSA-N 1 3 351.494 3.141 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535420 500095422 /nfs/dbraw/zinc/09/54/22/500095422.db2.gz ICOOZKFMMGWMOQ-MRXNPFEDSA-N 1 3 357.420 3.450 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535420 500095425 /nfs/dbraw/zinc/09/54/25/500095425.db2.gz ICOOZKFMMGWMOQ-MRXNPFEDSA-N 1 3 357.420 3.450 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686533 500124315 /nfs/dbraw/zinc/12/43/15/500124315.db2.gz ZPPZNSFGOQLHSZ-SFTDATJTSA-N 1 3 373.585 3.330 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000416906800 500152494 /nfs/dbraw/zinc/15/24/94/500152494.db2.gz SQKUHXDMQRQJIA-HXUWFJFHSA-N 1 3 360.546 3.187 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000416998580 500180134 /nfs/dbraw/zinc/18/01/34/500180134.db2.gz BDLFTRXTLCPSSM-GOSISDBHSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002046 500181050 /nfs/dbraw/zinc/18/10/50/500181050.db2.gz FPUJGIAIVMDMGE-ZWKOTPCHSA-N 1 3 360.527 3.130 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430015075 500181460 /nfs/dbraw/zinc/18/14/60/500181460.db2.gz HGKAKPVGKUQNMJ-UHFFFAOYSA-N 1 3 365.949 3.244 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872089 500188033 /nfs/dbraw/zinc/18/80/33/500188033.db2.gz IIEAVLCFRRRVPY-UTKZUKDTSA-N 1 3 368.525 3.117 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417872089 500188035 /nfs/dbraw/zinc/18/80/35/500188035.db2.gz IIEAVLCFRRRVPY-UTKZUKDTSA-N 1 3 368.525 3.117 20 0 FGADHO C[C@@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)N(C)Cc1ccccc1 ZINC000417934498 500200681 /nfs/dbraw/zinc/20/06/81/500200681.db2.gz FNFAFECGLGDHHK-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO CC1=C[C@H](C)CN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260967 500217745 /nfs/dbraw/zinc/21/77/45/500217745.db2.gz IBCSBPKRLNGMRH-HKUYNNGSSA-N 1 3 355.526 3.054 20 0 FGADHO OC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000418094995 500228063 /nfs/dbraw/zinc/22/80/63/500228063.db2.gz IRHHOTYYPZHJAA-VXKWHMMOSA-N 1 3 350.506 3.407 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151221 500238482 /nfs/dbraw/zinc/23/84/82/500238482.db2.gz FGKWSCOZKGFSFR-WOJBJXKFSA-N 1 3 372.557 3.058 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193368 500246648 /nfs/dbraw/zinc/24/66/48/500246648.db2.gz ZLXPFGAQKXAYRJ-JCGIZDLHSA-N 1 3 366.937 3.150 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(CC)CC)cc1 ZINC000418222376 500251928 /nfs/dbraw/zinc/25/19/28/500251928.db2.gz WXEWWHXUEAAJDX-TZIWHRDSSA-N 1 3 360.546 3.012 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418229261 500253278 /nfs/dbraw/zinc/25/32/78/500253278.db2.gz GONHFGFABQHDKQ-QZTJIDSGSA-N 1 3 366.575 3.026 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352608 500267160 /nfs/dbraw/zinc/26/71/60/500267160.db2.gz MUNSWDDDQYWDCW-NHCUHLMSSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000418363388 500268456 /nfs/dbraw/zinc/26/84/56/500268456.db2.gz VSGGGGJMJYUJEH-NRFANRHFSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418409478 500273209 /nfs/dbraw/zinc/27/32/09/500273209.db2.gz AIESOVRXSNWKAR-RLLQIKCJSA-N 1 3 360.546 3.054 20 0 FGADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418425231 500275045 /nfs/dbraw/zinc/27/50/45/500275045.db2.gz JEWQVWHNYQHHAO-IHPCNDPISA-N 1 3 360.546 3.227 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2)cc1F ZINC000422641646 500285403 /nfs/dbraw/zinc/28/54/03/500285403.db2.gz YETDHZWQKPNBKH-INMHGKMJSA-N 1 3 360.477 3.422 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717804 500289340 /nfs/dbraw/zinc/28/93/40/500289340.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 1 3 352.526 3.064 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717804 500289342 /nfs/dbraw/zinc/28/93/42/500289342.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 1 3 352.526 3.064 20 0 FGADHO CSc1nnc(CCCN[C@H](C)C[C@H]2CCCCC[NH2+]2)n1CC(C)C ZINC000422727317 500291106 /nfs/dbraw/zinc/29/11/06/500291106.db2.gz HCTPAYBFMLRYDF-IAGOWNOFSA-N 1 3 367.607 3.489 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734020 500291381 /nfs/dbraw/zinc/29/13/81/500291381.db2.gz BZALKJQPVDROFO-NQIIRXRSSA-N 1 3 359.558 3.044 20 0 FGADHO FC(F)Oc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422756782 500294400 /nfs/dbraw/zinc/29/44/00/500294400.db2.gz IAMCQOODBFTMHQ-VVLHAWIVSA-N 1 3 365.468 3.377 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](CC)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422753356 500294622 /nfs/dbraw/zinc/29/46/22/500294622.db2.gz CEJXZDJQDZPEFB-SUMWQHHRSA-N 1 3 354.441 3.327 20 0 FGADHO COC[C@@H](CCC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422763510 500295321 /nfs/dbraw/zinc/29/53/21/500295321.db2.gz JDAJUQBKPLLOQP-HXUWFJFHSA-N 1 3 364.493 3.383 20 0 FGADHO COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422768873 500295687 /nfs/dbraw/zinc/29/56/87/500295687.db2.gz VAFDJBUEPVBEOG-WMZOPIPTSA-N 1 3 354.498 3.177 20 0 FGADHO COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422768861 500295747 /nfs/dbraw/zinc/29/57/47/500295747.db2.gz VAFDJBUEPVBEOG-AEFFLSMTSA-N 1 3 354.498 3.177 20 0 FGADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422780642 500296401 /nfs/dbraw/zinc/29/64/01/500296401.db2.gz JQBJPWFSZMNIAL-PBWTXFEYSA-N 1 3 363.933 3.056 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000418655478 500301973 /nfs/dbraw/zinc/30/19/73/500301973.db2.gz CTIUNXPCEOTITE-FQEVSTJZSA-N 1 3 358.530 3.127 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000422820969 500302088 /nfs/dbraw/zinc/30/20/88/500302088.db2.gz TWKTXOJKYPEGQT-CYBMUJFWSA-N 1 3 358.452 3.164 20 0 FGADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000422833320 500303243 /nfs/dbraw/zinc/30/32/43/500303243.db2.gz MLCSEVBJRQDLAB-IXDOHACOSA-N 1 3 370.463 3.225 20 0 FGADHO FC(F)(F)c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)nc1 ZINC000422833320 500303246 /nfs/dbraw/zinc/30/32/46/500303246.db2.gz MLCSEVBJRQDLAB-IXDOHACOSA-N 1 3 370.463 3.225 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422840453 500303881 /nfs/dbraw/zinc/30/38/81/500303881.db2.gz SYHGLNMDXBSXHA-RDJZCZTQSA-N 1 3 358.555 3.473 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672626 500304923 /nfs/dbraw/zinc/30/49/23/500304923.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672626 500304928 /nfs/dbraw/zinc/30/49/28/500304928.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 1 3 367.537 3.128 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678509 500306700 /nfs/dbraw/zinc/30/67/00/500306700.db2.gz VPBXJQOPMRCUHH-UYAOXDASSA-N 1 3 360.546 3.058 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678508 500306782 /nfs/dbraw/zinc/30/67/82/500306782.db2.gz VPBXJQOPMRCUHH-QUCCMNQESA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422866106 500307321 /nfs/dbraw/zinc/30/73/21/500307321.db2.gz PUQGUCNCEHROKY-JMJGKCIBSA-N 1 3 370.585 3.098 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422882252 500310332 /nfs/dbraw/zinc/31/03/32/500310332.db2.gz ZUILBSXTNQOQGK-NSHDSACASA-N 1 3 357.228 3.438 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418715875 500311690 /nfs/dbraw/zinc/31/16/90/500311690.db2.gz BPOYHTCFPUKGRB-NJDAHSKKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418733430 500314664 /nfs/dbraw/zinc/31/46/64/500314664.db2.gz KXVFFKUYYSFCKG-BVOGOJNSSA-N 1 3 372.557 3.198 20 0 FGADHO COc1cccc(N2CC[C@H](CN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422907339 500314806 /nfs/dbraw/zinc/31/48/06/500314806.db2.gz XAXVPJKMFPAYOS-JUXOCIIHSA-N 1 3 353.510 3.070 20 0 FGADHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422909140 500315384 /nfs/dbraw/zinc/31/53/84/500315384.db2.gz NLWWBBZDVITTBW-LVNJIZSUSA-N 1 3 363.496 3.440 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000422916103 500315946 /nfs/dbraw/zinc/31/59/46/500315946.db2.gz ZYYRREGZHQGRSD-CYBMUJFWSA-N 1 3 353.495 3.261 20 0 FGADHO CCN1CCN(c2ccccc2N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422920002 500316722 /nfs/dbraw/zinc/31/67/22/500316722.db2.gz LLTZBCUDAYFCJD-QGZVFWFLSA-N 1 3 353.514 3.164 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929168 500318185 /nfs/dbraw/zinc/31/81/85/500318185.db2.gz OMSBSMXEWLOFOF-XGXHKWSGSA-N 1 3 352.906 3.244 20 0 FGADHO COc1ccc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426787498 500320682 /nfs/dbraw/zinc/32/06/82/500320682.db2.gz FGLPDSQHJZGPHZ-KDURUIRLSA-N 1 3 360.542 3.449 20 0 FGADHO Brc1ccc(N2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422951742 500322427 /nfs/dbraw/zinc/32/24/27/500322427.db2.gz ZZTLKRXQYXQZBE-KTFSGNIMSA-N 1 3 364.331 3.148 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000431017510 500324394 /nfs/dbraw/zinc/32/43/94/500324394.db2.gz QNSXLQCUOSDXHN-WOJBJXKFSA-N 1 3 372.557 3.373 20 0 FGADHO COc1ccc([C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985486 500326996 /nfs/dbraw/zinc/32/69/96/500326996.db2.gz FAQYCUQZTIEJOE-UHOSZYNNSA-N 1 3 363.546 3.207 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422984489 500327010 /nfs/dbraw/zinc/32/70/10/500327010.db2.gz XZYXQCVIHFPFOV-INIZCTEOSA-N 1 3 368.525 3.226 20 0 FGADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431068632 500330812 /nfs/dbraw/zinc/33/08/12/500330812.db2.gz ZCFTVGGKZBTVRO-MOPGFXCFSA-N 1 3 363.571 3.374 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000431103786 500336608 /nfs/dbraw/zinc/33/66/08/500336608.db2.gz RFFFYAMWTXCOMV-GVHYWEKDSA-N 1 3 369.553 3.324 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423069151 500337986 /nfs/dbraw/zinc/33/79/86/500337986.db2.gz AJFHKAQSVRDIPW-YUXAGFNASA-N 1 3 369.578 3.152 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423069151 500337988 /nfs/dbraw/zinc/33/79/88/500337988.db2.gz AJFHKAQSVRDIPW-YUXAGFNASA-N 1 3 369.578 3.152 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980430 500340756 /nfs/dbraw/zinc/34/07/56/500340756.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980430 500340757 /nfs/dbraw/zinc/34/07/57/500340757.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 1 3 355.526 3.030 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101495 500342423 /nfs/dbraw/zinc/34/24/23/500342423.db2.gz IYLILIVNMLWSGZ-FGZHOGPDSA-N 1 3 351.494 3.394 20 0 FGADHO CN(C)C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103281 500342669 /nfs/dbraw/zinc/34/26/69/500342669.db2.gz GFKIXWHBBKLYJG-ONTIZHBOSA-N 1 3 369.484 3.274 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127103 500345820 /nfs/dbraw/zinc/34/58/20/500345820.db2.gz SXXHSZYIYQWDHV-WCQYABFASA-N 1 3 356.919 3.300 20 0 FGADHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCC[C@H](C)[NH3+] ZINC000423225943 500356262 /nfs/dbraw/zinc/35/62/62/500356262.db2.gz OVDWWEJPDIQODW-VHSXEESVSA-N 1 3 351.800 3.403 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000423311992 500363449 /nfs/dbraw/zinc/36/34/49/500363449.db2.gz UUYRYXVPMRIFMP-GOSISDBHSA-N 1 3 357.523 3.077 20 0 FGADHO Cc1ccc([C@@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423340526 500365620 /nfs/dbraw/zinc/36/56/20/500365620.db2.gz XIPDXPPZBFAPNL-FQEVSTJZSA-N 1 3 360.523 3.125 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000423347989 500366386 /nfs/dbraw/zinc/36/63/86/500366386.db2.gz RPLWDZJQJKJKDC-UXHICEINSA-N 1 3 353.510 3.440 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc1F ZINC000423381835 500368546 /nfs/dbraw/zinc/36/85/46/500368546.db2.gz ZTCLHHMTUYKGPN-KSCDAYEDSA-N 1 3 371.475 3.493 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388083 500369844 /nfs/dbraw/zinc/36/98/44/500369844.db2.gz SXRDBLKNSCKRAF-XJKCOSOUSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423388083 500369847 /nfs/dbraw/zinc/36/98/47/500369847.db2.gz SXRDBLKNSCKRAF-XJKCOSOUSA-N 1 3 372.294 3.342 20 0 FGADHO COCC1(CN[C@H](C)c2cc(Cl)c(OC)cc2OC)CC[NH2+]CC1 ZINC000423405381 500371170 /nfs/dbraw/zinc/37/11/70/500371170.db2.gz ZFGUULVFDJGUIC-CYBMUJFWSA-N 1 3 356.894 3.024 20 0 FGADHO COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCCN1 ZINC000423418516 500373215 /nfs/dbraw/zinc/37/32/15/500373215.db2.gz USMHSVOHJOIEET-ROUUACIJSA-N 1 3 367.331 3.128 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423452819 500375922 /nfs/dbraw/zinc/37/59/22/500375922.db2.gz JXZQFFOWWBAOKS-NJAPINKUSA-N 1 3 369.431 3.003 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427275563 500377019 /nfs/dbraw/zinc/37/70/19/500377019.db2.gz PQCAYPKHOXGZIW-DYXWJJEUSA-N 1 3 357.542 3.278 20 0 FGADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423500035 500379263 /nfs/dbraw/zinc/37/92/63/500379263.db2.gz CNZCZCFNQVLMPB-HSALFYBXSA-N 1 3 354.494 3.370 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320372 500381095 /nfs/dbraw/zinc/38/10/95/500381095.db2.gz LEIRTLJOPKRKCF-FPOVZHCZSA-N 1 3 357.542 3.356 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1OC ZINC000423533768 500383557 /nfs/dbraw/zinc/38/35/57/500383557.db2.gz YLXXPXHQKYJACQ-QRZUQEHQSA-N 1 3 358.526 3.378 20 0 FGADHO COc1ccc(C[C@@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533768 500383559 /nfs/dbraw/zinc/38/35/59/500383559.db2.gz YLXXPXHQKYJACQ-QRZUQEHQSA-N 1 3 358.526 3.378 20 0 FGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423753279 500399465 /nfs/dbraw/zinc/39/94/65/500399465.db2.gz XDGFYTVMEJXUOT-IRLDBZIGSA-N 1 3 357.542 3.061 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2NCCCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423910731 500418622 /nfs/dbraw/zinc/41/86/22/500418622.db2.gz VERFXEGEKXWINU-HOJAQTOUSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2NCCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910731 500418624 /nfs/dbraw/zinc/41/86/24/500418624.db2.gz VERFXEGEKXWINU-HOJAQTOUSA-N 1 3 357.542 3.182 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431897111 500440188 /nfs/dbraw/zinc/44/01/88/500440188.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 1 3 369.553 3.348 20 0 FGADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431897111 500440191 /nfs/dbraw/zinc/44/01/91/500440191.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 1 3 369.553 3.348 20 0 FGADHO CCCN(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326867 500441619 /nfs/dbraw/zinc/44/16/19/500441619.db2.gz YACXFIPYBYGMDG-CYBMUJFWSA-N 1 3 357.420 3.144 20 0 FGADHO CCN(C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000420333541 500443563 /nfs/dbraw/zinc/44/35/63/500443563.db2.gz HREKUMISZKMUSN-UZLBHIALSA-N 1 3 361.505 3.199 20 0 FGADHO c1ccc(-n2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335977 500443811 /nfs/dbraw/zinc/44/38/11/500443811.db2.gz VHSSSAYPZGWFNZ-ROUUACIJSA-N 1 3 350.510 3.183 20 0 FGADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337874 500444285 /nfs/dbraw/zinc/44/42/85/500444285.db2.gz KFOCBANVGPWZKX-FFZOFVMBSA-N 1 3 357.542 3.460 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420374510 500450122 /nfs/dbraw/zinc/45/01/22/500450122.db2.gz HKHMAGINFYBWAD-SFTDATJTSA-N 1 3 362.514 3.073 20 0 FGADHO CSc1ccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377474 500451267 /nfs/dbraw/zinc/45/12/67/500451267.db2.gz LCDMIRJCFYMSEI-RBUKOAKNSA-N 1 3 350.528 3.006 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000573446637 506196603 /nfs/dbraw/zinc/19/66/03/506196603.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000573446637 506196605 /nfs/dbraw/zinc/19/66/05/506196605.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 1 3 369.553 3.420 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316252 500486052 /nfs/dbraw/zinc/48/60/52/500486052.db2.gz CVTIZESOBATEDG-MYGLTJDJSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@H]1CC2(CN1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386493 500494803 /nfs/dbraw/zinc/49/48/03/500494803.db2.gz XFEIOSHMWGOVLV-ZDUSSCGKSA-N 1 3 365.315 3.348 20 0 FGADHO C[C@@H]1CN(CCC[NH2+]CC(C)(C)CN(C)Cc2ccccc2)CCCO1 ZINC000432353481 500503852 /nfs/dbraw/zinc/50/38/52/500503852.db2.gz MELAOFXNUCLJBK-HXUWFJFHSA-N 1 3 361.574 3.235 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@H]3CCCN3C)c2)CC1 ZINC000420811009 500507365 /nfs/dbraw/zinc/50/73/65/500507365.db2.gz YZSHBKFMJTWDOZ-OAQYLSRUSA-N 1 3 372.557 3.154 20 0 FGADHO CC[C@H](Cc1ccccc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424628510 500531076 /nfs/dbraw/zinc/53/10/76/500531076.db2.gz MRIKMIFYFWXJNN-LJQANCHMSA-N 1 3 371.569 3.239 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3cc(C)ccc3C)CC2)CC1 ZINC000420976378 500545191 /nfs/dbraw/zinc/54/51/91/500545191.db2.gz GXMXPWWQIYRPHW-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3cc(C)ccc3C)CC2)CC1 ZINC000420976378 500545193 /nfs/dbraw/zinc/54/51/93/500545193.db2.gz GXMXPWWQIYRPHW-UHFFFAOYSA-N 1 3 359.558 3.174 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566224 /nfs/dbraw/zinc/56/62/24/500566224.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566227 /nfs/dbraw/zinc/56/62/27/500566227.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 1 3 372.557 3.213 20 0 FGADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877385 500638409 /nfs/dbraw/zinc/63/84/09/500638409.db2.gz TZYQAFOBFZNWHC-INIZCTEOSA-N 1 3 355.473 3.355 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878798 500638815 /nfs/dbraw/zinc/63/88/15/500638815.db2.gz UTUQGCYGYMTLQF-HXUWFJFHSA-N 1 3 357.542 3.005 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072494 500674648 /nfs/dbraw/zinc/67/46/48/500674648.db2.gz NOBGTMINJIRYQL-STQMWFEESA-N 1 3 358.313 3.231 20 0 FGADHO CN(C)[C@@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000433365201 500682330 /nfs/dbraw/zinc/68/23/30/500682330.db2.gz LTQMOJFOIJOHPL-NRFANRHFSA-N 1 3 357.542 3.450 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000437864112 500709168 /nfs/dbraw/zinc/70/91/68/500709168.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 1 3 362.562 3.100 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000437864112 500709171 /nfs/dbraw/zinc/70/91/71/500709171.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 1 3 362.562 3.100 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000448551363 500771300 /nfs/dbraw/zinc/77/13/00/500771300.db2.gz LBZPOYAZXCZHQX-NRFANRHFSA-N 1 3 353.510 3.261 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664871 506219545 /nfs/dbraw/zinc/21/95/45/506219545.db2.gz LJPKKGIINCOKLR-XQBPLPMBSA-N 1 3 371.569 3.271 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664871 506219550 /nfs/dbraw/zinc/21/95/50/506219550.db2.gz LJPKKGIINCOKLR-XQBPLPMBSA-N 1 3 371.569 3.271 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000448834683 500847260 /nfs/dbraw/zinc/84/72/60/500847260.db2.gz JZIUWSYTDARNCX-YADHBBJMSA-N 1 3 369.553 3.245 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc2cccnc2o1 ZINC000449037839 500908255 /nfs/dbraw/zinc/90/82/55/500908255.db2.gz POJSKLAUPYASGT-UHFFFAOYSA-N 1 3 370.541 3.456 20 0 FGADHO CC1(C)CCCN(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444872965 500914826 /nfs/dbraw/zinc/91/48/26/500914826.db2.gz HSLZDQSEPMXNLB-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103812 500925396 /nfs/dbraw/zinc/92/53/96/500925396.db2.gz CFCGFJNFHZHKOY-AWEZNQCLSA-N 1 3 358.267 3.113 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977752 500928719 /nfs/dbraw/zinc/92/87/19/500928719.db2.gz UFFNAEPMIKOUCZ-SFHVURJKSA-N 1 3 371.529 3.356 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977752 500928720 /nfs/dbraw/zinc/92/87/20/500928720.db2.gz UFFNAEPMIKOUCZ-SFHVURJKSA-N 1 3 371.529 3.356 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)Cc2ccccc2)CC1 ZINC000449125347 500930781 /nfs/dbraw/zinc/93/07/81/500930781.db2.gz JCDAJGFBZGILMM-WMZHIEFXSA-N 1 3 352.522 3.275 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000607686995 506225355 /nfs/dbraw/zinc/22/53/55/506225355.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000607686995 506225360 /nfs/dbraw/zinc/22/53/60/506225360.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 1 3 373.541 3.106 20 0 FGADHO CCn1nnc(C)c1CNCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000449211606 500949299 /nfs/dbraw/zinc/94/92/99/500949299.db2.gz HYGFPUXCYGWMFD-UHFFFAOYSA-N 1 3 355.530 3.388 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cn3c(n2)SCC3)CC1 ZINC000449254633 500959007 /nfs/dbraw/zinc/95/90/07/500959007.db2.gz ZLEIIECKKIUQAF-QGZVFWFLSA-N 1 3 370.566 3.217 20 0 FGADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1(C)C ZINC000449300769 500971045 /nfs/dbraw/zinc/97/10/45/500971045.db2.gz FSLGDPFDVYEPQO-UHFFFAOYSA-N 1 3 362.518 3.065 20 0 FGADHO OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1)C1CC1 ZINC000449501462 501019645 /nfs/dbraw/zinc/01/96/45/501019645.db2.gz FNACVFZFPKGJGO-LHGONGGSSA-N 1 3 354.538 3.284 20 0 FGADHO NCc1cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000449506391 501020661 /nfs/dbraw/zinc/02/06/61/501020661.db2.gz SFRSKOAPOOXBLW-SFHVURJKSA-N 1 3 363.383 3.034 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446576447 501136549 /nfs/dbraw/zinc/13/65/49/501136549.db2.gz GMZNVCPUMCSRQB-UHFFFAOYSA-N 1 3 368.525 3.386 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000446749752 501161101 /nfs/dbraw/zinc/16/11/01/501161101.db2.gz BZNMTYYWNSZRAZ-NRFANRHFSA-N 1 3 371.529 3.128 20 0 FGADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CO2 ZINC000453104262 501269693 /nfs/dbraw/zinc/26/96/93/501269693.db2.gz FLTVFKKPNOXVBP-PZJWPPBQSA-N 1 3 366.505 3.153 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000457736710 501298028 /nfs/dbraw/zinc/29/80/28/501298028.db2.gz GTWZMSFGUFZBKI-IBGZPJMESA-N 1 3 360.546 3.243 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000457736714 501298247 /nfs/dbraw/zinc/29/82/47/501298247.db2.gz GTWZMSFGUFZBKI-LJQANCHMSA-N 1 3 360.546 3.243 20 0 FGADHO CN(CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)Cc1ccccc1 ZINC000455910850 501413252 /nfs/dbraw/zinc/41/32/52/501413252.db2.gz IWXVJNPMGIFUGM-OAQYLSRUSA-N 1 3 366.509 3.489 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519909 501464918 /nfs/dbraw/zinc/46/49/18/501464918.db2.gz WLBGTSFPDZBWPX-QUCCMNQESA-N 1 3 374.573 3.317 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000456300335 501492111 /nfs/dbraw/zinc/49/21/11/501492111.db2.gz GUIQCICXVXCTGO-IBGZPJMESA-N 1 3 357.542 3.087 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458649119 501498036 /nfs/dbraw/zinc/49/80/36/501498036.db2.gz HCBGWQCNLZZLFY-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)N(C)C ZINC000458760781 501525201 /nfs/dbraw/zinc/52/52/01/501525201.db2.gz HAWKPDAQXCXGGJ-IEBWSBKVSA-N 1 3 362.562 3.406 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593430 501586742 /nfs/dbraw/zinc/58/67/42/501586742.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454593430 501586746 /nfs/dbraw/zinc/58/67/46/501586746.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000457429306 501696280 /nfs/dbraw/zinc/69/62/80/501696280.db2.gz FNSKLLOIWRGWHK-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784021 501713734 /nfs/dbraw/zinc/71/37/34/501713734.db2.gz NWIRFBAWOUQPRV-CQSZACIVSA-N 1 3 372.456 3.169 20 0 FGADHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784021 501713736 /nfs/dbraw/zinc/71/37/36/501713736.db2.gz NWIRFBAWOUQPRV-CQSZACIVSA-N 1 3 372.456 3.169 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000485390533 501805950 /nfs/dbraw/zinc/80/59/50/501805950.db2.gz QYHOBWIFNCWLBX-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000485390533 501805955 /nfs/dbraw/zinc/80/59/55/501805955.db2.gz QYHOBWIFNCWLBX-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)c2C)cc1 ZINC000463741549 501808843 /nfs/dbraw/zinc/80/88/43/501808843.db2.gz LTJSCOCWZIDZRS-IBGZPJMESA-N 1 3 368.525 3.131 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000477903545 501824628 /nfs/dbraw/zinc/82/46/28/501824628.db2.gz CWTNMKFHTOGSMJ-GHTZIAJQSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903546 501824858 /nfs/dbraw/zinc/82/48/58/501824858.db2.gz CWTNMKFHTOGSMJ-NQIIRXRSSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]1 ZINC000467697352 501846700 /nfs/dbraw/zinc/84/67/00/501846700.db2.gz XVXWYYVQZBMPTN-VXKWHMMOSA-N 1 3 355.526 3.033 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896211 /nfs/dbraw/zinc/89/62/11/501896211.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896214 /nfs/dbraw/zinc/89/62/14/501896214.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 1 3 367.921 3.482 20 0 FGADHO Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000482117576 501980092 /nfs/dbraw/zinc/98/00/92/501980092.db2.gz CEYHJZQBOAVVAY-GOSISDBHSA-N 1 3 371.554 3.026 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141023 501987616 /nfs/dbraw/zinc/98/76/16/501987616.db2.gz XIZWHUKDYPGSHP-CMKODMSKSA-N 1 3 373.541 3.398 20 0 FGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000482141023 501987617 /nfs/dbraw/zinc/98/76/17/501987617.db2.gz XIZWHUKDYPGSHP-CMKODMSKSA-N 1 3 373.541 3.398 20 0 FGADHO C[N@H+](CCCNC(=O)CCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000471400189 502012637 /nfs/dbraw/zinc/01/26/37/502012637.db2.gz VSXMGEIMCLOQEE-UHFFFAOYSA-N 1 3 365.521 3.073 20 0 FGADHO C[N@@H+](CCCNC(=O)CCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000471400189 502012641 /nfs/dbraw/zinc/01/26/41/502012641.db2.gz VSXMGEIMCLOQEE-UHFFFAOYSA-N 1 3 365.521 3.073 20 0 FGADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018424 502022771 /nfs/dbraw/zinc/02/27/71/502022771.db2.gz UWNQRBIHSNGEHP-STZQEDGTSA-N 1 3 365.521 3.284 20 0 FGADHO CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475027157 502026676 /nfs/dbraw/zinc/02/66/76/502026676.db2.gz FLVNQSHWEWPZDO-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000468416438 502054066 /nfs/dbraw/zinc/05/40/66/502054066.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000468416438 502054068 /nfs/dbraw/zinc/05/40/68/502054068.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 1 3 357.542 3.408 20 0 FGADHO C[NH+](C)CCOCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000471560019 502065584 /nfs/dbraw/zinc/06/55/84/502065584.db2.gz RYUFQOJCUMFDJN-UHFFFAOYSA-N 1 3 369.225 3.136 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568548 502113414 /nfs/dbraw/zinc/11/34/14/502113414.db2.gz HFUURTMIQGOGEP-QAPCUYQASA-N 1 3 371.550 3.456 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568548 502113421 /nfs/dbraw/zinc/11/34/21/502113421.db2.gz HFUURTMIQGOGEP-QAPCUYQASA-N 1 3 371.550 3.456 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871585 502132355 /nfs/dbraw/zinc/13/23/55/502132355.db2.gz HOWKIUUXGYFRCP-CVEARBPZSA-N 1 3 365.949 3.364 20 0 FGADHO CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831106 502147634 /nfs/dbraw/zinc/14/76/34/502147634.db2.gz KBOJVDKTBJKBKT-FGZHOGPDSA-N 1 3 365.521 3.218 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479057564 502150096 /nfs/dbraw/zinc/15/00/96/502150096.db2.gz IHTRPPBQRJCMCI-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353433 502232904 /nfs/dbraw/zinc/23/29/04/502232904.db2.gz TZTVYCXLMVHTGC-XLAORIBOSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353433 502232907 /nfs/dbraw/zinc/23/29/07/502232907.db2.gz TZTVYCXLMVHTGC-XLAORIBOSA-N 1 3 364.534 3.128 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147813 502291496 /nfs/dbraw/zinc/29/14/96/502291496.db2.gz SKFXCADURBXPJE-WIYYLYMNSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147813 502291500 /nfs/dbraw/zinc/29/15/00/502291500.db2.gz SKFXCADURBXPJE-WIYYLYMNSA-N 1 3 356.514 3.099 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534703 502293933 /nfs/dbraw/zinc/29/39/33/502293933.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534703 502293939 /nfs/dbraw/zinc/29/39/39/502293939.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534702 502294122 /nfs/dbraw/zinc/29/41/22/502294122.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465534702 502294130 /nfs/dbraw/zinc/29/41/30/502294130.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306848 /nfs/dbraw/zinc/30/68/48/502306848.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306853 /nfs/dbraw/zinc/30/68/53/502306853.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 1 3 372.557 3.345 20 0 FGADHO CCCOc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000483270630 502333816 /nfs/dbraw/zinc/33/38/16/502333816.db2.gz LJDBPYNPQQEKBN-UHFFFAOYSA-N 1 3 373.541 3.043 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000483530316 502423304 /nfs/dbraw/zinc/42/33/04/502423304.db2.gz IGXWEHNEDNHFQI-GOSISDBHSA-N 1 3 357.542 3.318 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561599 502431401 /nfs/dbraw/zinc/43/14/01/502431401.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 1 3 369.553 3.374 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561599 502431406 /nfs/dbraw/zinc/43/14/06/502431406.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000466147885 502489120 /nfs/dbraw/zinc/48/91/20/502489120.db2.gz YRJNABKCMWEDMZ-ICSRJNTNSA-N 1 3 360.546 3.067 20 0 FGADHO Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191340 502496724 /nfs/dbraw/zinc/49/67/24/502496724.db2.gz OHFPYUPCYSNKRQ-ZIAGYGMSSA-N 1 3 365.424 3.036 20 0 FGADHO C[C@@H]1CCCN1C(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469763685 502535490 /nfs/dbraw/zinc/53/54/90/502535490.db2.gz LEGTXNFSFKQMCJ-GUDVDZBRSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000487826040 502541434 /nfs/dbraw/zinc/54/14/34/502541434.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000487826040 502541440 /nfs/dbraw/zinc/54/14/40/502541440.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 1 3 364.578 3.157 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000469849131 502567156 /nfs/dbraw/zinc/56/71/56/502567156.db2.gz CALMMKFPHSPSAK-UHFFFAOYSA-N 1 3 370.541 3.186 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487965477 502582742 /nfs/dbraw/zinc/58/27/42/502582742.db2.gz TWJFUHGIZCYYSZ-MSOLQXFVSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487965477 502582746 /nfs/dbraw/zinc/58/27/46/502582746.db2.gz TWJFUHGIZCYYSZ-MSOLQXFVSA-N 1 3 364.578 3.013 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469884987 502583665 /nfs/dbraw/zinc/58/36/65/502583665.db2.gz RBXFLLXWEKXPNZ-ILWGZMRPSA-N 1 3 352.526 3.416 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CN1Cc1ccccc1 ZINC000466517911 502595245 /nfs/dbraw/zinc/59/52/45/502595245.db2.gz KUPPLPOYCVNPCD-WIYYLYMNSA-N 1 3 372.557 3.261 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000484591101 502678441 /nfs/dbraw/zinc/67/84/41/502678441.db2.gz NGRLZIUBTWHFDP-AJYBTWMASA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000484591101 502678445 /nfs/dbraw/zinc/67/84/45/502678445.db2.gz NGRLZIUBTWHFDP-AJYBTWMASA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027760 502732667 /nfs/dbraw/zinc/73/26/67/502732667.db2.gz VKFLDEICIWXRGJ-UKRRQHHQSA-N 1 3 362.461 3.448 20 0 FGADHO CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473884242 502737199 /nfs/dbraw/zinc/73/71/99/502737199.db2.gz HLSPCGOTISQTSB-AZUAARDMSA-N 1 3 360.546 3.195 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778590 /nfs/dbraw/zinc/77/85/90/502778590.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 1 3 351.922 3.151 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778594 /nfs/dbraw/zinc/77/85/94/502778594.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 1 3 351.922 3.151 20 0 FGADHO O=C(C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000481207512 502783889 /nfs/dbraw/zinc/78/38/89/502783889.db2.gz XBKLAZBRLSQSBN-KNQAVFIVSA-N 1 3 369.553 3.121 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCC(F)(F)CC1 ZINC000474084212 502803195 /nfs/dbraw/zinc/80/31/95/502803195.db2.gz SQSQYSGXWFXKLH-OAHLLOKOSA-N 1 3 367.484 3.282 20 0 FGADHO CN1CCC[C@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195722 502874277 /nfs/dbraw/zinc/87/42/77/502874277.db2.gz GRMRHISHZWNLQR-ZWKOTPCHSA-N 1 3 356.432 3.481 20 0 FGADHO CN1CCC[C@@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195719 502874778 /nfs/dbraw/zinc/87/47/78/502874778.db2.gz GRMRHISHZWNLQR-MSOLQXFVSA-N 1 3 356.432 3.481 20 0 FGADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343927 502891474 /nfs/dbraw/zinc/89/14/74/502891474.db2.gz NBXXNHRFWOFVPF-CTNGQTDRSA-N 1 3 359.558 3.445 20 0 FGADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343927 502891478 /nfs/dbraw/zinc/89/14/78/502891478.db2.gz NBXXNHRFWOFVPF-CTNGQTDRSA-N 1 3 359.558 3.445 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331713 502906575 /nfs/dbraw/zinc/90/65/75/502906575.db2.gz VEGGHOXNVQLKGA-XLIONFOSSA-N 1 3 361.530 3.374 20 0 FGADHO C[C@H]1C[C@H](CCNCc2cc(C(N)=O)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513500018 502954675 /nfs/dbraw/zinc/95/46/75/502954675.db2.gz KKIBCKSVZKVCOA-RDJZCZTQSA-N 1 3 357.523 3.237 20 0 FGADHO C[C@H]1C[C@H](CCNCc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500018 502954679 /nfs/dbraw/zinc/95/46/79/502954679.db2.gz KKIBCKSVZKVCOA-RDJZCZTQSA-N 1 3 357.523 3.237 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000489774579 503031276 /nfs/dbraw/zinc/03/12/76/503031276.db2.gz IZAIAPSLDOLFRY-UFYCRDLUSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784566 503033458 /nfs/dbraw/zinc/03/34/58/503033458.db2.gz WOAFWZVKXJHKFE-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1CCCN(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547736 503034577 /nfs/dbraw/zinc/03/45/77/503034577.db2.gz CXBHGJUXJMSPAY-IBGZPJMESA-N 1 3 372.557 3.204 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000489785838 503034555 /nfs/dbraw/zinc/03/45/55/503034555.db2.gz ADFZVMHSGYEKJS-HMXCVIKNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830259 503044155 /nfs/dbraw/zinc/04/41/55/503044155.db2.gz KBWOYXWKNMEAFV-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510097546 503048752 /nfs/dbraw/zinc/04/87/52/503048752.db2.gz GUONVNQJSBZZQM-JOCHJYFZSA-N 1 3 357.542 3.031 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501795954 503081306 /nfs/dbraw/zinc/08/13/06/503081306.db2.gz GTGMIIMEQZRCQY-NRFANRHFSA-N 1 3 372.557 3.435 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083818 503083064 /nfs/dbraw/zinc/08/30/64/503083064.db2.gz MUPQVRQPIXFFNY-PBASOCQRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083818 503083067 /nfs/dbraw/zinc/08/30/67/503083067.db2.gz MUPQVRQPIXFFNY-PBASOCQRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N1CCCC1 ZINC000514083818 503083070 /nfs/dbraw/zinc/08/30/70/503083070.db2.gz MUPQVRQPIXFFNY-PBASOCQRSA-N 1 3 357.542 3.295 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000490988246 503256384 /nfs/dbraw/zinc/25/63/84/503256384.db2.gz LIBDDYRVPLBOEG-HXUWFJFHSA-N 1 3 360.546 3.163 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000490988246 503256387 /nfs/dbraw/zinc/25/63/87/503256387.db2.gz LIBDDYRVPLBOEG-HXUWFJFHSA-N 1 3 360.546 3.163 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN2C)CCCC1)c1ccccc1 ZINC000502798886 503274533 /nfs/dbraw/zinc/27/45/33/503274533.db2.gz NWDWPEWACACHHU-IEBWSBKVSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502878436 503296379 /nfs/dbraw/zinc/29/63/79/503296379.db2.gz ZYFVHESIPGPNQS-OALUTQOASA-N 1 3 374.573 3.306 20 0 FGADHO CC[NH+]1CCC(CCNCc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000491361750 503300810 /nfs/dbraw/zinc/30/08/10/503300810.db2.gz QEWGLFMCGQMMKA-UHFFFAOYSA-N 1 3 354.498 3.364 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000515294652 503309053 /nfs/dbraw/zinc/30/90/53/503309053.db2.gz RCXFJKPMVIGSTG-NRFANRHFSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311189 /nfs/dbraw/zinc/31/11/89/503311189.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311193 /nfs/dbraw/zinc/31/11/93/503311193.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 1 3 372.557 3.154 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412571 503316801 /nfs/dbraw/zinc/31/68/01/503316801.db2.gz DJUUFANDTLQGCK-ICSRJNTNSA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412571 503316807 /nfs/dbraw/zinc/31/68/07/503316807.db2.gz DJUUFANDTLQGCK-ICSRJNTNSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000503110765 503349305 /nfs/dbraw/zinc/34/93/05/503349305.db2.gz MMTPOIZMRRHMFN-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499186082 503351693 /nfs/dbraw/zinc/35/16/93/503351693.db2.gz AEQXIPWEXTXHPS-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505125 503420061 /nfs/dbraw/zinc/42/00/61/503420061.db2.gz BOKPZXCGGCVBKF-FQEVSTJZSA-N 1 3 359.558 3.472 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505125 503420064 /nfs/dbraw/zinc/42/00/64/503420064.db2.gz BOKPZXCGGCVBKF-FQEVSTJZSA-N 1 3 359.558 3.472 20 0 FGADHO Cc1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)sc1Br ZINC000512066660 503448821 /nfs/dbraw/zinc/44/88/21/503448821.db2.gz GZGHBKWGECMKIP-CYBMUJFWSA-N 1 3 374.392 3.496 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582079 503542396 /nfs/dbraw/zinc/54/23/96/503542396.db2.gz QRWFNDIBVGGVRM-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508715639 503549768 /nfs/dbraw/zinc/54/97/68/503549768.db2.gz JIEJFGYJFBSSFH-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715639 503549772 /nfs/dbraw/zinc/54/97/72/503549772.db2.gz JIEJFGYJFBSSFH-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715639 503549776 /nfs/dbraw/zinc/54/97/76/503549776.db2.gz JIEJFGYJFBSSFH-PZJWPPBQSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505072 503553448 /nfs/dbraw/zinc/55/34/48/503553448.db2.gz JFBUONQDZYIWRO-SZXPJGKVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505072 503553451 /nfs/dbraw/zinc/55/34/51/503553451.db2.gz JFBUONQDZYIWRO-SZXPJGKVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508848867 503576625 /nfs/dbraw/zinc/57/66/25/503576625.db2.gz AYZDHKHDCJNHET-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)CC2 ZINC000508869734 503583265 /nfs/dbraw/zinc/58/32/65/503583265.db2.gz YWTQARDQAIWNFM-AYWYSENESA-N 1 3 372.557 3.335 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)CC2 ZINC000508869734 503583268 /nfs/dbraw/zinc/58/32/68/503583268.db2.gz YWTQARDQAIWNFM-AYWYSENESA-N 1 3 372.557 3.335 20 0 FGADHO COCc1ccccc1/C=C(\C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000508875637 503584941 /nfs/dbraw/zinc/58/49/41/503584941.db2.gz BMJVTKWLJNSNJO-WANHGMNSSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000508875637 503584943 /nfs/dbraw/zinc/58/49/43/503584943.db2.gz BMJVTKWLJNSNJO-WANHGMNSSA-N 1 3 371.569 3.194 20 0 FGADHO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000508875637 503584948 /nfs/dbraw/zinc/58/49/48/503584948.db2.gz BMJVTKWLJNSNJO-WANHGMNSSA-N 1 3 371.569 3.194 20 0 FGADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494662116 503587002 /nfs/dbraw/zinc/58/70/02/503587002.db2.gz ANKNNDQEHSGVBD-KRWDZBQOSA-N 1 3 371.447 3.128 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508882795 503587518 /nfs/dbraw/zinc/58/75/18/503587518.db2.gz RHLGQADKOUEIBW-BNDYYXHWSA-N 1 3 372.557 3.254 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508882795 503587523 /nfs/dbraw/zinc/58/75/23/503587523.db2.gz RHLGQADKOUEIBW-BNDYYXHWSA-N 1 3 372.557 3.254 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)C ZINC000508894672 503592228 /nfs/dbraw/zinc/59/22/28/503592228.db2.gz GDJMRAMEFDCTHL-SBHAEUEKSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901104 503594761 /nfs/dbraw/zinc/59/47/61/503594761.db2.gz UEWPCOAGWWMEDW-NQIIRXRSSA-N 1 3 372.557 3.195 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N(C)C ZINC000508902334 503595406 /nfs/dbraw/zinc/59/54/06/503595406.db2.gz WFXJRBMWYWGSDS-MMKMLUHNSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N(C)C ZINC000508902334 503595410 /nfs/dbraw/zinc/59/54/10/503595410.db2.gz WFXJRBMWYWGSDS-MMKMLUHNSA-N 1 3 372.557 3.112 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070904 503634906 /nfs/dbraw/zinc/63/49/06/503634906.db2.gz OTENDYFTJASYPU-LJQANCHMSA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070904 503634909 /nfs/dbraw/zinc/63/49/09/503634909.db2.gz OTENDYFTJASYPU-LJQANCHMSA-N 1 3 368.525 3.031 20 0 FGADHO NC[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000517029041 503647052 /nfs/dbraw/zinc/64/70/52/503647052.db2.gz WJWLAVOCDSEUBW-NRFANRHFSA-N 1 3 370.541 3.051 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517064010 503652783 /nfs/dbraw/zinc/65/27/83/503652783.db2.gz RZGLYEMDWXSXGM-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517064010 503652788 /nfs/dbraw/zinc/65/27/88/503652788.db2.gz RZGLYEMDWXSXGM-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719305 503677565 /nfs/dbraw/zinc/67/75/65/503677565.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719305 503677569 /nfs/dbraw/zinc/67/75/69/503677569.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 1 3 355.526 3.032 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000529721965 503680829 /nfs/dbraw/zinc/68/08/29/503680829.db2.gz FKXWEKPGAHZYMI-FQEVSTJZSA-N 1 3 370.541 3.130 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1)CC(C)C ZINC000536927761 503763118 /nfs/dbraw/zinc/76/31/18/503763118.db2.gz UTOYCYXPPRVLHL-RTBURBONSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1)CC(C)C ZINC000536927761 503763122 /nfs/dbraw/zinc/76/31/22/503763122.db2.gz UTOYCYXPPRVLHL-RTBURBONSA-N 1 3 351.579 3.466 20 0 FGADHO COC(=O)c1coc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634403 503835971 /nfs/dbraw/zinc/83/59/71/503835971.db2.gz ZCCQXKCFWIZPEJ-WMZOPIPTSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1coc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634403 503835977 /nfs/dbraw/zinc/83/59/77/503835977.db2.gz ZCCQXKCFWIZPEJ-WMZOPIPTSA-N 1 3 356.466 3.457 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000537204299 503841677 /nfs/dbraw/zinc/84/16/77/503841677.db2.gz ISHDDWJJVRCZDO-HDICACEKSA-N 1 3 370.541 3.285 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CCN(C)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000543713762 503862354 /nfs/dbraw/zinc/86/23/54/503862354.db2.gz UTBKTEZWQLGFAU-UYAOXDASSA-N 1 3 366.509 3.077 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)CCN(C)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000543713762 503862357 /nfs/dbraw/zinc/86/23/57/503862357.db2.gz UTBKTEZWQLGFAU-UYAOXDASSA-N 1 3 366.509 3.077 20 0 FGADHO C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000543712969 503863205 /nfs/dbraw/zinc/86/32/05/503863205.db2.gz HQUZKVPGVHVNLP-IBGZPJMESA-N 1 3 366.509 3.031 20 0 FGADHO CCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OCC ZINC000530249730 503894008 /nfs/dbraw/zinc/89/40/08/503894008.db2.gz YFEQOQGDGYIWFZ-IBGZPJMESA-N 1 3 362.514 3.075 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864543 503921173 /nfs/dbraw/zinc/92/11/73/503921173.db2.gz HWFOREUMGMKYIV-HKUYNNGSSA-N 1 3 367.896 3.213 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362217 503962839 /nfs/dbraw/zinc/96/28/39/503962839.db2.gz KNSHSRYKPAAMRW-HKUYNNGSSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362217 503962844 /nfs/dbraw/zinc/96/28/44/503962844.db2.gz KNSHSRYKPAAMRW-HKUYNNGSSA-N 1 3 368.949 3.175 20 0 FGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362217 503962851 /nfs/dbraw/zinc/96/28/51/503962851.db2.gz KNSHSRYKPAAMRW-HKUYNNGSSA-N 1 3 368.949 3.175 20 0 FGADHO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000540988591 503966167 /nfs/dbraw/zinc/96/61/67/503966167.db2.gz NVVPSNVJZIYBGS-NJDAHSKKSA-N 1 3 360.542 3.327 20 0 FGADHO CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976829 /nfs/dbraw/zinc/97/68/29/503976829.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 1 3 350.503 3.407 20 0 FGADHO CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976835 /nfs/dbraw/zinc/97/68/35/503976835.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 1 3 350.503 3.407 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000537631763 503984888 /nfs/dbraw/zinc/98/48/88/503984888.db2.gz VSVKPUMZDUOINQ-UHFFFAOYSA-N 1 3 369.509 3.203 20 0 FGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCCN1CCN(C)CC1 ZINC000518445599 503987427 /nfs/dbraw/zinc/98/74/27/503987427.db2.gz RRESQQCFQNATIE-ICFOKQHNSA-N 1 3 367.484 3.309 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000530642145 504036466 /nfs/dbraw/zinc/03/64/66/504036466.db2.gz UJZZNVGXFQXVGG-CVEARBPZSA-N 1 3 372.340 3.049 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528150672 504093647 /nfs/dbraw/zinc/09/36/47/504093647.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528150672 504093652 /nfs/dbraw/zinc/09/36/52/504093652.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@H](C)C1 ZINC000544381942 504110786 /nfs/dbraw/zinc/11/07/86/504110786.db2.gz LFCOIDFMGXIUSX-OPYAIIAOSA-N 1 3 357.542 3.427 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000519017771 504120048 /nfs/dbraw/zinc/12/00/48/504120048.db2.gz LQHNWGKUVRLYNN-FQEVSTJZSA-N 1 3 374.573 3.272 20 0 FGADHO C[C@@H](CN1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380915 504125957 /nfs/dbraw/zinc/12/59/57/504125957.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@@H](CN1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380915 504125961 /nfs/dbraw/zinc/12/59/61/504125961.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380915 504125966 /nfs/dbraw/zinc/12/59/66/504125966.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 1 3 364.574 3.120 20 0 FGADHO C[C@H](CN1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380915 504125968 /nfs/dbraw/zinc/12/59/68/504125968.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 1 3 364.574 3.120 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178078 504159219 /nfs/dbraw/zinc/15/92/19/504159219.db2.gz ZBJPBWGIZONVOO-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N(C)C1CC1 ZINC000519204727 504165236 /nfs/dbraw/zinc/16/52/36/504165236.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N(C)C1CC1 ZINC000519204727 504165239 /nfs/dbraw/zinc/16/52/39/504165239.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 1 3 372.557 3.343 20 0 FGADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000519225144 504169538 /nfs/dbraw/zinc/16/95/38/504169538.db2.gz WDDUVMSEKFSQDU-KRWDZBQOSA-N 1 3 363.521 3.226 20 0 FGADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531136045 504199620 /nfs/dbraw/zinc/19/96/20/504199620.db2.gz CCFCRFLPOLGOBA-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)CC1 ZINC000547736738 504205161 /nfs/dbraw/zinc/20/51/61/504205161.db2.gz KTLRRKHPBRZXMC-UHFFFAOYSA-N 1 3 372.557 3.422 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000547736738 504205166 /nfs/dbraw/zinc/20/51/66/504205166.db2.gz KTLRRKHPBRZXMC-UHFFFAOYSA-N 1 3 372.557 3.422 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531147519 504206934 /nfs/dbraw/zinc/20/69/34/504206934.db2.gz RYNAKEYCBIPIAN-KRWDZBQOSA-N 1 3 359.514 3.350 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531147519 504206939 /nfs/dbraw/zinc/20/69/39/504206939.db2.gz RYNAKEYCBIPIAN-KRWDZBQOSA-N 1 3 359.514 3.350 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000531246353 504242131 /nfs/dbraw/zinc/24/21/31/504242131.db2.gz QBXPCVGZZPYFAB-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000528485515 504243511 /nfs/dbraw/zinc/24/35/11/504243511.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 1 3 371.569 3.239 20 0 FGADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000528485515 504243520 /nfs/dbraw/zinc/24/35/20/504243520.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 1 3 371.569 3.239 20 0 FGADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[NH+](CC)CC ZINC000519532162 504243613 /nfs/dbraw/zinc/24/36/13/504243613.db2.gz HODHWZSBWBFNTP-ROUUACIJSA-N 1 3 351.560 3.248 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000544825650 504271041 /nfs/dbraw/zinc/27/10/41/504271041.db2.gz LOIHHCZNCVEVOR-IBGZPJMESA-N 1 3 359.901 3.065 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000531391891 504291693 /nfs/dbraw/zinc/29/16/93/504291693.db2.gz ZBBZXNIPAJUSEI-GJZGRUSLSA-N 1 3 360.454 3.190 20 0 FGADHO Cc1noc(CCCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534963454 504295122 /nfs/dbraw/zinc/29/51/22/504295122.db2.gz BCEONEYCOVHYJY-UHFFFAOYSA-N 1 3 354.498 3.299 20 0 FGADHO Cc1noc(CCCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534963454 504295125 /nfs/dbraw/zinc/29/51/25/504295125.db2.gz BCEONEYCOVHYJY-UHFFFAOYSA-N 1 3 354.498 3.299 20 0 FGADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611875 504363517 /nfs/dbraw/zinc/36/35/17/504363517.db2.gz CFHSEALUQALHOE-IBGZPJMESA-N 1 3 371.550 3.352 20 0 FGADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611875 504363520 /nfs/dbraw/zinc/36/35/20/504363520.db2.gz CFHSEALUQALHOE-IBGZPJMESA-N 1 3 371.550 3.352 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000531689058 504393910 /nfs/dbraw/zinc/39/39/10/504393910.db2.gz HERVOJZAPVGVNQ-CQSZACIVSA-N 1 3 355.910 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000531689058 504393916 /nfs/dbraw/zinc/39/39/16/504393916.db2.gz HERVOJZAPVGVNQ-CQSZACIVSA-N 1 3 355.910 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000531689058 504393921 /nfs/dbraw/zinc/39/39/21/504393921.db2.gz HERVOJZAPVGVNQ-CQSZACIVSA-N 1 3 355.910 3.386 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226419 504440742 /nfs/dbraw/zinc/44/07/42/504440742.db2.gz QNPKFIPBRAHSMT-PMACEKPBSA-N 1 3 355.526 3.133 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520378583 504482764 /nfs/dbraw/zinc/48/27/64/504482764.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520378583 504482768 /nfs/dbraw/zinc/48/27/68/504482768.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 1 3 374.573 3.318 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCn2ccnc2C)CC1 ZINC000539311177 504525832 /nfs/dbraw/zinc/52/58/32/504525832.db2.gz FRGHXJILUBSTAJ-QGZVFWFLSA-N 1 3 373.520 3.213 20 0 FGADHO C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971094 504618413 /nfs/dbraw/zinc/61/84/13/504618413.db2.gz BUBCMRQHAKEZII-SFTDATJTSA-N 1 3 369.553 3.087 20 0 FGADHO C[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971094 504618415 /nfs/dbraw/zinc/61/84/15/504618415.db2.gz BUBCMRQHAKEZII-SFTDATJTSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529539089 504721016 /nfs/dbraw/zinc/72/10/16/504721016.db2.gz PLXQETNHMNXHRX-HNNXBMFYSA-N 1 3 365.468 3.036 20 0 FGADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCC1 ZINC000521593334 504761979 /nfs/dbraw/zinc/76/19/79/504761979.db2.gz YPSRWOBJNVCGDE-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842177 504766125 /nfs/dbraw/zinc/76/61/25/504766125.db2.gz HUFLRRWIPBOYFI-KRWDZBQOSA-N 1 3 362.562 3.173 20 0 FGADHO Cc1cnn(CCCCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000565144844 504807174 /nfs/dbraw/zinc/80/71/74/504807174.db2.gz FOJMLHOTRQWKBK-BGYRXZFFSA-N 1 3 362.562 3.183 20 0 FGADHO Cc1cnn(CCCCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000565144893 504807463 /nfs/dbraw/zinc/80/74/63/504807463.db2.gz FOJMLHOTRQWKBK-PMACEKPBSA-N 1 3 362.562 3.183 20 0 FGADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1=O ZINC000556239019 504826279 /nfs/dbraw/zinc/82/62/79/504826279.db2.gz ATPPUWWIMWHZJR-IERDGZPVSA-N 1 3 373.516 3.342 20 0 FGADHO CNC[C@@](C)(O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000565428673 504884910 /nfs/dbraw/zinc/88/49/10/504884910.db2.gz VFRVVIKMELNCLC-QGZVFWFLSA-N 1 3 361.313 3.055 20 0 FGADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@]1(C)CCN(Cc2ccccc2)C1 ZINC000565778444 504984453 /nfs/dbraw/zinc/98/44/53/504984453.db2.gz LJQXDAFVVWGKLD-JOCHJYFZSA-N 1 3 361.493 3.330 20 0 FGADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000562981103 505008534 /nfs/dbraw/zinc/00/85/34/505008534.db2.gz XXWRRIWZGAHOPR-KGYLQXTDSA-N 1 3 365.934 3.268 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000562994211 505013151 /nfs/dbraw/zinc/01/31/51/505013151.db2.gz AQLHCYTXKCZAAY-UTKZUKDTSA-N 1 3 372.484 3.381 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC000563082602 505041940 /nfs/dbraw/zinc/04/19/40/505041940.db2.gz HBHNEYMCBZMHCA-CJNGLKHVSA-N 1 3 353.894 3.127 20 0 FGADHO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000563122791 505053155 /nfs/dbraw/zinc/05/31/55/505053155.db2.gz DMJGFNHOZQTMLZ-YSTOQKLRSA-N 1 3 355.526 3.171 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000550623438 505075243 /nfs/dbraw/zinc/07/52/43/505075243.db2.gz YEYWMZGCDKLYEJ-OCCSQVGLSA-N 1 3 372.376 3.114 20 0 FGADHO Cc1nc2ccccc2n1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566089579 505076971 /nfs/dbraw/zinc/07/69/71/505076971.db2.gz RRXSIHZGIYQBDN-SIKLNZKXSA-N 1 3 362.477 3.190 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089292 505077548 /nfs/dbraw/zinc/07/75/48/505077548.db2.gz UCRFYRDURFLTIL-SUHUHFCYSA-N 1 3 362.827 3.050 20 0 FGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089292 505077551 /nfs/dbraw/zinc/07/75/51/505077551.db2.gz UCRFYRDURFLTIL-SUHUHFCYSA-N 1 3 362.827 3.050 20 0 FGADHO COc1cc([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000554071153 505080746 /nfs/dbraw/zinc/08/07/46/505080746.db2.gz HFACENLIWLKDOH-OAHLLOKOSA-N 1 3 361.461 3.063 20 0 FGADHO c1ccc(CC[NH+]2CCC(NCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000557254302 505099360 /nfs/dbraw/zinc/09/93/60/505099360.db2.gz ASGJIPOKICMHNO-UHFFFAOYSA-N 1 3 368.477 3.091 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000560525940 505114517 /nfs/dbraw/zinc/11/45/17/505114517.db2.gz BGNXSYNLMYNZNP-WNRNVDISSA-N 1 3 363.933 3.390 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000560525940 505114522 /nfs/dbraw/zinc/11/45/22/505114522.db2.gz BGNXSYNLMYNZNP-WNRNVDISSA-N 1 3 363.933 3.390 20 0 FGADHO O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528777 505116207 /nfs/dbraw/zinc/11/62/07/505116207.db2.gz KRZVHVRTFMGRMF-BURNTYAHSA-N 1 3 360.567 3.135 20 0 FGADHO COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Br)c1[O-] ZINC000560529575 505116517 /nfs/dbraw/zinc/11/65/17/505116517.db2.gz VGLOQRUSKMWMCV-UHFFFAOYSA-N 1 3 357.292 3.126 20 0 FGADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000560575907 505130975 /nfs/dbraw/zinc/13/09/75/505130975.db2.gz UAKGMNAEUOYOLS-AIYVTKCESA-N 1 3 369.553 3.180 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563460787 505147311 /nfs/dbraw/zinc/14/73/11/505147311.db2.gz RKTAZOXLJXAXNC-VXKWHMMOSA-N 1 3 368.525 3.207 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525404 505156367 /nfs/dbraw/zinc/15/63/67/505156367.db2.gz LTPKLQHOHCWXDL-INIZCTEOSA-N 1 3 352.592 3.289 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158962 /nfs/dbraw/zinc/15/89/62/505158962.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 1 3 372.557 3.194 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158964 /nfs/dbraw/zinc/15/89/64/505158964.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217059 /nfs/dbraw/zinc/21/70/59/505217059.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217064 /nfs/dbraw/zinc/21/70/64/505217064.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 1 3 357.542 3.123 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779021 505235995 /nfs/dbraw/zinc/23/59/95/505235995.db2.gz HDNBPNWIDHNEBP-CQSZACIVSA-N 1 3 358.448 3.107 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779021 505235997 /nfs/dbraw/zinc/23/59/97/505235997.db2.gz HDNBPNWIDHNEBP-CQSZACIVSA-N 1 3 358.448 3.107 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COCc2ccccc2Cl)c1 ZINC000566791638 505273840 /nfs/dbraw/zinc/27/38/40/505273840.db2.gz CZUAGYYJQRFPJV-IBGZPJMESA-N 1 3 362.901 3.069 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)c1 ZINC000566791638 505273843 /nfs/dbraw/zinc/27/38/43/505273843.db2.gz CZUAGYYJQRFPJV-IBGZPJMESA-N 1 3 362.901 3.069 20 0 FGADHO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554856265 505283004 /nfs/dbraw/zinc/28/30/04/505283004.db2.gz NOQJUQQNNYJOPJ-ICSRJNTNSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554856265 505283008 /nfs/dbraw/zinc/28/30/08/505283008.db2.gz NOQJUQQNNYJOPJ-ICSRJNTNSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H](NCCC(=O)NC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856265 505283012 /nfs/dbraw/zinc/28/30/12/505283012.db2.gz NOQJUQQNNYJOPJ-ICSRJNTNSA-N 1 3 357.542 3.326 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554864810 505284481 /nfs/dbraw/zinc/28/44/81/505284481.db2.gz GLBGILBWCVFRRQ-RXVVDRJESA-N 1 3 363.505 3.424 20 0 FGADHO Cc1cc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc2cccnc12 ZINC000554883163 505289223 /nfs/dbraw/zinc/28/92/23/505289223.db2.gz ZSYWIFSZCHEOHJ-UHFFFAOYSA-N 1 3 352.526 3.003 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280728 505302983 /nfs/dbraw/zinc/30/29/83/505302983.db2.gz OQMFWUIBTBGDQC-AZUAARDMSA-N 1 3 359.445 3.199 20 0 FGADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccccc2C1 ZINC000558146764 505319942 /nfs/dbraw/zinc/31/99/42/505319942.db2.gz NMAHZZYLXGDHMY-YJMBLLCNSA-N 1 3 369.553 3.106 20 0 FGADHO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC(F)F ZINC000567093959 505362065 /nfs/dbraw/zinc/36/20/65/505362065.db2.gz WOMWNCLMGRVEHF-MAUKXSAKSA-N 1 3 370.440 3.015 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000555232232 505386440 /nfs/dbraw/zinc/38/64/40/505386440.db2.gz YAVOEAUWKMMJBS-LJQANCHMSA-N 1 3 359.901 3.434 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000567242990 505405788 /nfs/dbraw/zinc/40/57/88/505405788.db2.gz HQKIQUROUDMXFJ-GOSISDBHSA-N 1 3 366.937 3.115 20 0 FGADHO COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459322 505425536 /nfs/dbraw/zinc/42/55/36/505425536.db2.gz UWCXKRRBWCJTGI-QGZVFWFLSA-N 1 3 352.478 3.144 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567410584 505454269 /nfs/dbraw/zinc/45/42/69/505454269.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567410584 505454276 /nfs/dbraw/zinc/45/42/76/505454276.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 1 3 374.573 3.317 20 0 FGADHO CN1CCN(CC2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976437 505483198 /nfs/dbraw/zinc/48/31/98/505483198.db2.gz FKAXGDNHVGNWPL-PKTZIBPZSA-N 1 3 355.570 3.456 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000564718427 505502286 /nfs/dbraw/zinc/50/22/86/505502286.db2.gz DGNOLVCAGWILGB-UHFFFAOYSA-N 1 3 361.427 3.302 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000558828676 505504505 /nfs/dbraw/zinc/50/45/05/505504505.db2.gz IOSXGUZKIFNTEP-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065446 505507976 /nfs/dbraw/zinc/50/79/76/505507976.db2.gz RUOQMTKDVMHWNU-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065446 505507980 /nfs/dbraw/zinc/50/79/80/505507980.db2.gz RUOQMTKDVMHWNU-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000562065446 505507984 /nfs/dbraw/zinc/50/79/84/505507984.db2.gz RUOQMTKDVMHWNU-JLLPCOHGSA-N 1 3 364.533 3.480 20 0 FGADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000558908676 505527132 /nfs/dbraw/zinc/52/71/32/505527132.db2.gz TWEUNVAHAJHGKO-RHSMWYFYSA-N 1 3 368.953 3.218 20 0 FGADHO CC(C)CC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000564860561 505542244 /nfs/dbraw/zinc/54/22/44/505542244.db2.gz QGFMPDZFOIEKPW-VXKWHMMOSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860561 505542248 /nfs/dbraw/zinc/54/22/48/505542248.db2.gz QGFMPDZFOIEKPW-VXKWHMMOSA-N 1 3 374.569 3.302 20 0 FGADHO CC(C)CC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564860561 505542251 /nfs/dbraw/zinc/54/22/51/505542251.db2.gz QGFMPDZFOIEKPW-VXKWHMMOSA-N 1 3 374.569 3.302 20 0 FGADHO Cc1ccc(C(=O)NC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)s1 ZINC000567741687 505554234 /nfs/dbraw/zinc/55/42/34/505554234.db2.gz AFWCLJVVKXNZRQ-UHFFFAOYSA-N 1 3 369.534 3.097 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772993 505561779 /nfs/dbraw/zinc/56/17/79/505561779.db2.gz RGBWUYZUKGVVQT-DUXKGJEZSA-N 1 3 351.494 3.418 20 0 FGADHO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000564941101 505561842 /nfs/dbraw/zinc/56/18/42/505561842.db2.gz ZJDNEAFBWZPFQU-UHFFFAOYSA-N 1 3 366.509 3.236 20 0 FGADHO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000608061220 506403317 /nfs/dbraw/zinc/40/33/17/506403317.db2.gz HENCYMBJRDEGAW-SJLPKXTDSA-N 1 3 355.482 3.242 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000596652618 506513056 /nfs/dbraw/zinc/51/30/56/506513056.db2.gz VZIQHMKJPMPVSI-GFCCVEGCSA-N 1 3 359.297 3.404 20 0 FGADHO C(=C\C[NH+]1CCC(OCC2CC2)CC1)\CN1CCC(OCC2CC2)CC1 ZINC000608578118 506610902 /nfs/dbraw/zinc/61/09/02/506610902.db2.gz CQGMPXMLIAARLU-UPHRSURJSA-N 1 3 362.558 3.325 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634593 506641165 /nfs/dbraw/zinc/64/11/65/506641165.db2.gz QENDFSIMLWAROU-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634593 506641166 /nfs/dbraw/zinc/64/11/66/506641166.db2.gz QENDFSIMLWAROU-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685391 506666033 /nfs/dbraw/zinc/66/60/33/506666033.db2.gz PYQHTRLXMWDFKU-NHCUHLMSSA-N 1 3 372.557 3.339 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000583251094 506676867 /nfs/dbraw/zinc/67/68/67/506676867.db2.gz NGPSIDAWUVDEOZ-GHTZIAJQSA-N 1 3 355.457 3.267 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590078971 506727999 /nfs/dbraw/zinc/72/79/99/506727999.db2.gz MJJHOAANWVNUTN-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590078971 506728005 /nfs/dbraw/zinc/72/80/05/506728005.db2.gz MJJHOAANWVNUTN-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000604171467 506734370 /nfs/dbraw/zinc/73/43/70/506734370.db2.gz NUINIBVQJFKXDR-VQTJNVASSA-N 1 3 374.573 3.331 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000604171467 506734375 /nfs/dbraw/zinc/73/43/75/506734375.db2.gz NUINIBVQJFKXDR-VQTJNVASSA-N 1 3 374.573 3.331 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000604177206 506737712 /nfs/dbraw/zinc/73/77/12/506737712.db2.gz ZSGLEWRRLJZJGM-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565150 506852820 /nfs/dbraw/zinc/85/28/20/506852820.db2.gz SJEAYWKSAJPRDV-XQTRSNPVSA-N 1 3 369.553 3.063 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030797 /nfs/dbraw/zinc/03/07/97/507030797.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 1 3 369.553 3.436 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030805 /nfs/dbraw/zinc/03/08/05/507030805.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 1 3 369.553 3.436 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594288866 507064723 /nfs/dbraw/zinc/06/47/23/507064723.db2.gz ZCBMTYUVXHHKRH-LEWJYISDSA-N 1 3 370.541 3.093 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2csc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000600710553 507076419 /nfs/dbraw/zinc/07/64/19/507076419.db2.gz ORTCHECVALCRSA-LLVKDONJSA-N 1 3 364.433 3.178 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000600711392 507076819 /nfs/dbraw/zinc/07/68/19/507076819.db2.gz STIUXEZXAGHMNQ-CYBMUJFWSA-N 1 3 364.873 3.497 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCCCC1 ZINC000591109554 507118511 /nfs/dbraw/zinc/11/85/11/507118511.db2.gz PHZPVNLKVIFDQW-NRFANRHFSA-N 1 3 357.542 3.409 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000591543922 507284129 /nfs/dbraw/zinc/28/41/29/507284129.db2.gz RICHQMCFATZDFF-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000591543922 507284135 /nfs/dbraw/zinc/28/41/35/507284135.db2.gz RICHQMCFATZDFF-KRWDZBQOSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@@H]2CNc3ccnn3C2)C1 ZINC000595139195 507405343 /nfs/dbraw/zinc/40/53/43/507405343.db2.gz GSZGPVXERSRNKA-GUDVDZBRSA-N 1 3 367.541 3.193 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000584598765 507429748 /nfs/dbraw/zinc/42/97/48/507429748.db2.gz MSHTYPAWMFUABR-KKXDTOCCSA-N 1 3 368.399 3.167 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000078559799 700281887 /nfs/dbraw/zinc/28/18/87/700281887.db2.gz SZCQJORQYHKHPC-QGZVFWFLSA-N 1 3 364.559 3.060 20 0 FGADHO C[C@@H](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000195222984 713549806 /nfs/dbraw/zinc/54/98/06/713549806.db2.gz MUSXACNUDQTWAL-FXAWDEMLSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553372 713985323 /nfs/dbraw/zinc/98/53/23/713985323.db2.gz HJZIVWUXYJKCIJ-MLHJIOFPSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553372 713985325 /nfs/dbraw/zinc/98/53/25/713985325.db2.gz HJZIVWUXYJKCIJ-MLHJIOFPSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@@H]1CN(CCOCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654784 715767687 /nfs/dbraw/zinc/76/76/87/715767687.db2.gz QUKODWIPQUXHOZ-YHUYYLMFSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654784 715767690 /nfs/dbraw/zinc/76/76/90/715767690.db2.gz QUKODWIPQUXHOZ-YHUYYLMFSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654784 715767694 /nfs/dbraw/zinc/76/76/94/715767694.db2.gz QUKODWIPQUXHOZ-YHUYYLMFSA-N 1 3 368.459 3.449 20 0 FGADHO Clc1ccc(N2CCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000629523109 716302342 /nfs/dbraw/zinc/30/23/42/716302342.db2.gz KFUXUBZFNBYFAX-YSTOQKLRSA-N 1 3 363.933 3.056 20 0 FGADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCc3c2cccc3Br)CC1 ZINC000638580095 717467285 /nfs/dbraw/zinc/46/72/85/717467285.db2.gz CAVJOILTYODMJU-KRWDZBQOSA-N 1 3 367.331 3.261 20 0 FGADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645118271 718184190 /nfs/dbraw/zinc/18/41/90/718184190.db2.gz NZKIAFUPVYDDGG-IAGOWNOFSA-N 1 3 364.559 3.011 20 0 FGADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645118271 718184191 /nfs/dbraw/zinc/18/41/91/718184191.db2.gz NZKIAFUPVYDDGG-IAGOWNOFSA-N 1 3 364.559 3.011 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647178781 718338071 /nfs/dbraw/zinc/33/80/71/718338071.db2.gz JJYAAURGPFDJAC-UHFFFAOYSA-N 1 3 356.457 3.311 20 0 FGADHO CSc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976584 718391455 /nfs/dbraw/zinc/39/14/55/718391455.db2.gz QKBZMBZDXCCNJF-ULQDDVLXSA-N 1 3 361.555 3.447 20 0 FGADHO FC(F)(F)[C@H]1N(c2ccc(CN3CCCC3)cn2)CCC12CC[NH2+]CC2 ZINC001164387164 718815176 /nfs/dbraw/zinc/81/51/76/718815176.db2.gz DQAQBOMDNWWJHF-KRWDZBQOSA-N 1 3 368.447 3.188 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000657838709 719719312 /nfs/dbraw/zinc/71/93/12/719719312.db2.gz FMZILYAUZVHKDW-UHFFFAOYSA-N 1 3 351.485 3.002 20 0 FGADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2ccncc2s1 ZINC000657936385 719733947 /nfs/dbraw/zinc/73/39/47/719733947.db2.gz QKOJKEVTDIZMCQ-AWEZNQCLSA-N 1 3 356.495 3.483 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)[C@@]3(O)CCCOC3)CC2)C1 ZINC000658313072 719784595 /nfs/dbraw/zinc/78/45/95/719784595.db2.gz WQUBIBSOKSUIRG-SLYNCCJLSA-N 1 3 352.563 3.187 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662279727 720409028 /nfs/dbraw/zinc/40/90/28/720409028.db2.gz BLLKIJYZGGPQSM-WMZOPIPTSA-N 1 3 356.482 3.275 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554065 720784764 /nfs/dbraw/zinc/78/47/64/720784764.db2.gz FFMJEZXRDYNJCX-DLBZAZTESA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554065 720784766 /nfs/dbraw/zinc/78/47/66/720784766.db2.gz FFMJEZXRDYNJCX-DLBZAZTESA-N 1 3 366.937 3.115 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995649 721011069 /nfs/dbraw/zinc/01/10/69/721011069.db2.gz VJGVILVSLGOZSB-MRXNPFEDSA-N 1 3 361.917 3.209 20 0 FGADHO Cc1cc(Br)ccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675239125 721741372 /nfs/dbraw/zinc/74/13/72/721741372.db2.gz FMYUSTABJAXMPS-GOSISDBHSA-N 1 3 367.331 3.491 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908310 722412435 /nfs/dbraw/zinc/41/24/35/722412435.db2.gz QJNMMPWADTVEHI-XDNAFOTISA-N 1 3 351.535 3.094 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543005 722415880 /nfs/dbraw/zinc/41/58/80/722415880.db2.gz NGJWOAVOGSURBM-RZFLPCETSA-N 1 3 351.535 3.237 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563869 722415888 /nfs/dbraw/zinc/41/58/88/722415888.db2.gz YIOBOJVMGIKLFX-ZWKOTPCHSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@@](O)(CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115764 722420844 /nfs/dbraw/zinc/42/08/44/722420844.db2.gz NJDRXQRYJWWFDT-LSDHHAIUSA-N 1 3 366.374 3.047 20 0 FGADHO C[C@@](O)(CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115764 722420846 /nfs/dbraw/zinc/42/08/46/722420846.db2.gz NJDRXQRYJWWFDT-LSDHHAIUSA-N 1 3 366.374 3.047 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)cc1CN1CCCCC1 ZINC000760036228 723034725 /nfs/dbraw/zinc/03/47/25/723034725.db2.gz DKSZDSOCOXIZNG-WMLDXEAASA-N 1 3 356.457 3.348 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156273 723040326 /nfs/dbraw/zinc/04/03/26/723040326.db2.gz JWOVRMFVULQYNB-STQMWFEESA-N 1 3 359.345 3.252 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760156271 723040468 /nfs/dbraw/zinc/04/04/68/723040468.db2.gz JWOVRMFVULQYNB-OLZOCXBDSA-N 1 3 359.345 3.252 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@@H+]1CCC[C@@H]1C ZINC000766272570 723565332 /nfs/dbraw/zinc/56/53/32/723565332.db2.gz YYFBSSBNJFCULU-CVEARBPZSA-N 1 3 351.922 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[N@H+]1CCC[C@@H]1C ZINC000766272570 723565333 /nfs/dbraw/zinc/56/53/33/723565333.db2.gz YYFBSSBNJFCULU-CVEARBPZSA-N 1 3 351.922 3.151 20 0 FGADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000773080371 723776181 /nfs/dbraw/zinc/77/61/81/723776181.db2.gz LGXXANFNGVQXSR-HXUWFJFHSA-N 1 3 350.547 3.349 20 0 FGADHO O[C@@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)CN1CCCC1 ZINC000775377906 723986531 /nfs/dbraw/zinc/98/65/31/723986531.db2.gz FMBJPCLQAWMJSW-YOEHRIQHSA-N 1 3 356.482 3.425 20 0 FGADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178339 723995511 /nfs/dbraw/zinc/99/55/11/723995511.db2.gz UHEQMLUDHFQOAW-MRXNPFEDSA-N 1 3 363.933 3.325 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cc1Cl ZINC000818984190 727334462 /nfs/dbraw/zinc/33/44/62/727334462.db2.gz AIMCYEFWWKNDBE-GOSISDBHSA-N 1 3 366.864 3.243 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389759 729335478 /nfs/dbraw/zinc/33/54/78/729335478.db2.gz SIFUMXWWOYJKMS-PXNSSMCTSA-N 1 3 351.535 3.051 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(Cl)n1 ZINC000844172477 730690388 /nfs/dbraw/zinc/69/03/88/730690388.db2.gz UXIQJDAYQUOTBR-IRXDYDNUSA-N 1 3 366.937 3.060 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)F)cc1 ZINC000855346235 731920545 /nfs/dbraw/zinc/92/05/45/731920545.db2.gz SNZMCBRPHSLFPW-ZDUSSCGKSA-N 1 3 359.486 3.003 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)F)cc1 ZINC000855346235 731920546 /nfs/dbraw/zinc/92/05/46/731920546.db2.gz SNZMCBRPHSLFPW-ZDUSSCGKSA-N 1 3 359.486 3.003 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490779 732220261 /nfs/dbraw/zinc/22/02/61/732220261.db2.gz OHNQKNNUDKJFGT-KZNAEPCWSA-N 1 3 353.551 3.344 20 0 FGADHO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1Br ZINC000876595909 736118867 /nfs/dbraw/zinc/11/88/67/736118867.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 1 3 369.303 3.009 20 0 FGADHO COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1Br ZINC000876595909 736118872 /nfs/dbraw/zinc/11/88/72/736118872.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 1 3 369.303 3.009 20 0 FGADHO C[C@@H](CN1CCC2(CC1)CC[NH+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000877684723 736704497 /nfs/dbraw/zinc/70/44/97/736704497.db2.gz UUZMVWFOWCLSPX-KRWDZBQOSA-N 1 3 364.555 3.001 20 0 FGADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000878436388 736835276 /nfs/dbraw/zinc/83/52/76/736835276.db2.gz JADBRQJZUHVOPG-AWEZNQCLSA-N 1 3 359.901 3.354 20 0 FGADHO COc1ccc(NC(=O)CC[NH+]2CCC(C)(N3CCC3)CC2)cc1Cl ZINC000880475499 737178820 /nfs/dbraw/zinc/17/88/20/737178820.db2.gz YHESQOKVXNODJS-UHFFFAOYSA-N 1 3 365.905 3.237 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCc3ccccc3Br)CC2)C1 ZINC000883433118 737566085 /nfs/dbraw/zinc/56/60/85/737566085.db2.gz IOVWKIUPOIVHPP-WMZOPIPTSA-N 1 3 367.331 3.210 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892465742 740003611 /nfs/dbraw/zinc/00/36/11/740003611.db2.gz GJYCVJFVUDJWTN-RBUKOAKNSA-N 1 3 350.478 3.252 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668124 740029314 /nfs/dbraw/zinc/02/93/14/740029314.db2.gz HFTBRSACZNTBAL-WCVJEAGWSA-N 1 3 364.452 3.218 20 0 FGADHO C[C@@H]1CN(Cc2cc3c(cccc3O)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894076960 742235247 /nfs/dbraw/zinc/23/52/47/742235247.db2.gz REYFHSSWWLMLOM-CRAIPNDOSA-N 1 3 359.539 3.065 20 0 FGADHO CCC1(N2CCC2)CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000896059647 742489085 /nfs/dbraw/zinc/48/90/85/742489085.db2.gz ZUUKCVVDZIKDCE-CALCHBBNSA-N 1 3 351.535 3.240 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253694 743830964 /nfs/dbraw/zinc/83/09/64/743830964.db2.gz OHDIAPRYSGQVDI-ZJRDLVKKSA-N 1 3 364.555 3.236 20 0 FGADHO [NH3+][C@H](CNCC1(c2cccc(C(F)(F)F)c2)CCOCC1)CC(F)F ZINC000903919158 743897392 /nfs/dbraw/zinc/89/73/92/743897392.db2.gz AOLJEDIPTZDYAY-AWEZNQCLSA-N 1 3 366.374 3.326 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130989 743995122 /nfs/dbraw/zinc/99/51/22/743995122.db2.gz BJXVRTRHIACXNV-AOIWGVFYSA-N 1 3 366.571 3.167 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130989 743995124 /nfs/dbraw/zinc/99/51/24/743995124.db2.gz BJXVRTRHIACXNV-AOIWGVFYSA-N 1 3 366.571 3.167 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448692 759119642 /nfs/dbraw/zinc/11/96/42/759119642.db2.gz GFNVJQLNFMHFGL-CJNGLKHVSA-N 1 3 353.304 3.340 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448691 759119807 /nfs/dbraw/zinc/11/98/07/759119807.db2.gz GFNVJQLNFMHFGL-BBRMVZONSA-N 1 3 353.304 3.340 20 0 FGADHO Clc1cccc2c1[C@@H](NCC1CC[NH+](C3CCOCC3)CC1)COC2 ZINC000926678641 759800300 /nfs/dbraw/zinc/80/03/00/759800300.db2.gz SOWOQELLGDBRRR-IBGZPJMESA-N 1 3 364.917 3.392 20 0 FGADHO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755536 505587110 /nfs/dbraw/zinc/58/71/10/505587110.db2.gz OPZIBIUZRFELBQ-UEXGIBASSA-N 1 3 367.468 3.437 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000573674958 505593563 /nfs/dbraw/zinc/59/35/63/505593563.db2.gz RPQFOADDHUKGSZ-CLWJZODNSA-N 1 3 369.509 3.091 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000570943247 505618014 /nfs/dbraw/zinc/61/80/14/505618014.db2.gz RMORGSRXXSQAFD-DFQSSKMNSA-N 1 3 373.541 3.211 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000576898307 505619327 /nfs/dbraw/zinc/61/93/27/505619327.db2.gz DSRDGSRZLMKASB-WIYYLYMNSA-N 1 3 374.573 3.440 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000576898307 505619331 /nfs/dbraw/zinc/61/93/31/505619331.db2.gz DSRDGSRZLMKASB-WIYYLYMNSA-N 1 3 374.573 3.440 20 0 FGADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964357 505622109 /nfs/dbraw/zinc/62/21/09/505622109.db2.gz PXHCGIRJKRVSFQ-FUDKSRODSA-N 1 3 369.553 3.356 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1 ZINC000576985502 505639114 /nfs/dbraw/zinc/63/91/14/505639114.db2.gz CMVXMMJMDMOISS-JPYJTQIMSA-N 1 3 365.521 3.163 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302480 505661855 /nfs/dbraw/zinc/66/18/55/505661855.db2.gz CGMOETLUKVLWEA-KSEOMHKRSA-N 1 3 372.553 3.320 20 0 FGADHO CC(C)N1CCN([C@H]2CC[N@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035804 505666795 /nfs/dbraw/zinc/66/67/95/505666795.db2.gz MSAMOSRZQBIFAG-JXFKEZNVSA-N 1 3 351.485 3.169 20 0 FGADHO CC(C)N1CCN([C@H]2CC[N@@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035804 505666797 /nfs/dbraw/zinc/66/67/97/505666797.db2.gz MSAMOSRZQBIFAG-JXFKEZNVSA-N 1 3 351.485 3.169 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000076198399 493842326 /nfs/dbraw/zinc/84/23/26/493842326.db2.gz CEAPOEIWNHPMTM-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000081293809 493862124 /nfs/dbraw/zinc/86/21/24/493862124.db2.gz MLFNGCRMAKBBKB-JOCHJYFZSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000081293809 493862129 /nfs/dbraw/zinc/86/21/29/493862129.db2.gz MLFNGCRMAKBBKB-JOCHJYFZSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000081290844 493862461 /nfs/dbraw/zinc/86/24/61/493862461.db2.gz PQSRQEHKINKBSF-NRFANRHFSA-N 1 3 355.526 3.277 20 0 FGADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000081290844 493862464 /nfs/dbraw/zinc/86/24/64/493862464.db2.gz PQSRQEHKINKBSF-NRFANRHFSA-N 1 3 355.526 3.277 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN([C@H](C)C2CC2)C2CC2)CC1 ZINC000051881710 493991879 /nfs/dbraw/zinc/99/18/79/493991879.db2.gz UVALZMXQRZXKJY-GOSISDBHSA-N 1 3 369.553 3.339 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(I)cc1 ZINC000037229457 494102651 /nfs/dbraw/zinc/10/26/51/494102651.db2.gz HOJUKHKGYPZJLF-ZDUSSCGKSA-N 1 3 358.267 3.428 20 0 FGADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000085364899 494117277 /nfs/dbraw/zinc/11/72/77/494117277.db2.gz LTQLEBMHOZIVOR-OALUTQOASA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000065992743 494266898 /nfs/dbraw/zinc/26/68/98/494266898.db2.gz JDWDPFKXLDLLLT-HSALFYBXSA-N 1 3 371.569 3.381 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000065992743 494266900 /nfs/dbraw/zinc/26/69/00/494266900.db2.gz JDWDPFKXLDLLLT-HSALFYBXSA-N 1 3 371.569 3.381 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000043239801 494278670 /nfs/dbraw/zinc/27/86/70/494278670.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000043239801 494278675 /nfs/dbraw/zinc/27/86/75/494278675.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187774 494285819 /nfs/dbraw/zinc/28/58/19/494285819.db2.gz QHJRFBDJKPOTND-ICSRJNTNSA-N 1 3 372.557 3.338 20 0 FGADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000089393329 494298934 /nfs/dbraw/zinc/29/89/34/494298934.db2.gz RYVKJJLHCLHPIS-IBGZPJMESA-N 1 3 370.541 3.069 20 0 FGADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089393329 494298936 /nfs/dbraw/zinc/29/89/36/494298936.db2.gz RYVKJJLHCLHPIS-IBGZPJMESA-N 1 3 370.541 3.069 20 0 FGADHO CC1(C)CC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000045029818 494392279 /nfs/dbraw/zinc/39/22/79/494392279.db2.gz ZOOUEXGAKHYBJI-UHFFFAOYSA-N 1 3 372.557 3.259 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402816 505720665 /nfs/dbraw/zinc/72/06/65/505720665.db2.gz PGSHNDXKTOLDPY-UGKGYDQZSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402816 505720668 /nfs/dbraw/zinc/72/06/68/505720668.db2.gz PGSHNDXKTOLDPY-UGKGYDQZSA-N 1 3 365.521 3.368 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000079221368 494422033 /nfs/dbraw/zinc/42/20/33/494422033.db2.gz AXENATINCZPQNG-TZIWHRDSSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000079221368 494422035 /nfs/dbraw/zinc/42/20/35/494422035.db2.gz AXENATINCZPQNG-TZIWHRDSSA-N 1 3 374.573 3.113 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000090010460 494428321 /nfs/dbraw/zinc/42/83/21/494428321.db2.gz JOPLKTGFZCPRTC-OAQYLSRUSA-N 1 3 357.542 3.074 20 0 FGADHO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038681 494432222 /nfs/dbraw/zinc/43/22/22/494432222.db2.gz BFCDFMLTWYQHHJ-QGZVFWFLSA-N 1 3 371.500 3.228 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000073919030 494449196 /nfs/dbraw/zinc/44/91/96/494449196.db2.gz POAAKTTYIJRNHP-HKBOAZHASA-N 1 3 370.541 3.010 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000073919030 494449201 /nfs/dbraw/zinc/44/92/01/494449201.db2.gz POAAKTTYIJRNHP-HKBOAZHASA-N 1 3 370.541 3.010 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCC[C@H]1C ZINC000045789879 494462247 /nfs/dbraw/zinc/46/22/47/494462247.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 1 3 360.546 3.200 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCC[C@H]1C ZINC000045789879 494462250 /nfs/dbraw/zinc/46/22/50/494462250.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 1 3 360.546 3.200 20 0 FGADHO C[C@H](NCCOc1ncccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000090408597 494463696 /nfs/dbraw/zinc/46/36/96/494463696.db2.gz CNSVNRGIPPIBDX-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@H]([NH2+]CCOc1ncccc1Cl)c1cccc(OCCN(C)C)c1 ZINC000090408597 494463697 /nfs/dbraw/zinc/46/36/97/494463697.db2.gz CNSVNRGIPPIBDX-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N1CCCCCC1 ZINC000074249761 494504068 /nfs/dbraw/zinc/50/40/68/494504068.db2.gz CIQNTEKJYVPDJK-KRWDZBQOSA-N 1 3 363.571 3.341 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067282516 494507742 /nfs/dbraw/zinc/50/77/42/494507742.db2.gz UWXPZGZPDURBET-HXUWFJFHSA-N 1 3 360.546 3.010 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067282516 494507747 /nfs/dbraw/zinc/50/77/47/494507747.db2.gz UWXPZGZPDURBET-HXUWFJFHSA-N 1 3 360.546 3.010 20 0 FGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000074298041 494513111 /nfs/dbraw/zinc/51/31/11/494513111.db2.gz ULHHLPFXYAIFHH-NRFANRHFSA-N 1 3 369.553 3.089 20 0 FGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000074298041 494513114 /nfs/dbraw/zinc/51/31/14/494513114.db2.gz ULHHLPFXYAIFHH-NRFANRHFSA-N 1 3 369.553 3.089 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046368010 494521718 /nfs/dbraw/zinc/52/17/18/494521718.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000046368010 494521726 /nfs/dbraw/zinc/52/17/26/494521726.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067409141 494534292 /nfs/dbraw/zinc/53/42/92/494534292.db2.gz ALSUTSUMDGYXDH-RBUKOAKNSA-N 1 3 374.573 3.400 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067409141 494534297 /nfs/dbraw/zinc/53/42/97/494534297.db2.gz ALSUTSUMDGYXDH-RBUKOAKNSA-N 1 3 374.573 3.400 20 0 FGADHO CC[NH+]1CCN(c2ccccc2CN(C)Cc2ccc(O)c(OC)c2)CC1 ZINC000125984370 494596445 /nfs/dbraw/zinc/59/64/45/494596445.db2.gz YTUPOTFOWYPGSB-UHFFFAOYSA-N 1 3 369.509 3.175 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164823 494619924 /nfs/dbraw/zinc/61/99/24/494619924.db2.gz PCWKGWVPBMTWJP-TZIWHRDSSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164823 494619929 /nfs/dbraw/zinc/61/99/29/494619929.db2.gz PCWKGWVPBMTWJP-TZIWHRDSSA-N 1 3 374.573 3.269 20 0 FGADHO CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992083 494670026 /nfs/dbraw/zinc/67/00/26/494670026.db2.gz MLEFURVPYZZXHG-NHCUHLMSSA-N 1 3 357.542 3.245 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693453 494714835 /nfs/dbraw/zinc/71/48/35/494714835.db2.gz WLNUAMQVDOAHGG-HXUWFJFHSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000116385052 494771791 /nfs/dbraw/zinc/77/17/91/494771791.db2.gz RMRZZYXQLXPUDX-GCJKJVERSA-N 1 3 352.526 3.143 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126552814 494787320 /nfs/dbraw/zinc/78/73/20/494787320.db2.gz FIWILAIFQWWTLH-GCJKJVERSA-N 1 3 371.569 3.395 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047886758 494788126 /nfs/dbraw/zinc/78/81/26/494788126.db2.gz CKIKBZCSIKFXSC-ROUUACIJSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000116533740 494810127 /nfs/dbraw/zinc/81/01/27/494810127.db2.gz ISOUQBWDUXSMDJ-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000116545041 494812444 /nfs/dbraw/zinc/81/24/44/494812444.db2.gz ZXFRIEGAXUNFSD-SFHVURJKSA-N 1 3 372.557 3.243 20 0 FGADHO CN(C)C(=O)c1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121616718 494820451 /nfs/dbraw/zinc/82/04/51/494820451.db2.gz ARNNIZRPOKGOGZ-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CC(C)(C)OC(=O)N1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000093116620 494827012 /nfs/dbraw/zinc/82/70/12/494827012.db2.gz ZYUJTFDSELLUNU-UHFFFAOYSA-N 1 3 374.529 3.287 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)C[NH+](C)C ZINC000132155223 494829901 /nfs/dbraw/zinc/82/99/01/494829901.db2.gz SXSFMYAFDLLBEW-HNNXBMFYSA-N 1 3 353.938 3.254 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)C[NH+](C)C ZINC000132155442 494830204 /nfs/dbraw/zinc/83/02/04/494830204.db2.gz SXSFMYAFDLLBEW-OAHLLOKOSA-N 1 3 353.938 3.254 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000093419172 494889998 /nfs/dbraw/zinc/88/99/98/494889998.db2.gz ZGHFMHLOYDRJSX-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000093419172 494890003 /nfs/dbraw/zinc/89/00/03/494890003.db2.gz ZGHFMHLOYDRJSX-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000127291503 494922966 /nfs/dbraw/zinc/92/29/66/494922966.db2.gz PEIPOFNZBMHUIU-PXNSSMCTSA-N 1 3 372.557 3.212 20 0 FGADHO Cc1ccc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122208698 494940578 /nfs/dbraw/zinc/94/05/78/494940578.db2.gz SOVZQLZFWKKUII-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CN1CCC(CN[C@@H](c2ncc[nH]2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000127433059 494943790 /nfs/dbraw/zinc/94/37/90/494943790.db2.gz USDJZYMQTHAVQH-HXUWFJFHSA-N 1 3 367.541 3.039 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333076 494958809 /nfs/dbraw/zinc/95/88/09/494958809.db2.gz OMSPRCKNDICELG-CEXWTWQISA-N 1 3 357.542 3.337 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514005 505751923 /nfs/dbraw/zinc/75/19/23/505751923.db2.gz MHTPPQAZZACBTH-MLDBQTBOSA-N 1 3 368.521 3.463 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514005 505751926 /nfs/dbraw/zinc/75/19/26/505751926.db2.gz MHTPPQAZZACBTH-MLDBQTBOSA-N 1 3 368.521 3.463 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000133097934 494968628 /nfs/dbraw/zinc/96/86/28/494968628.db2.gz MJCDXIOSRVLDTQ-HUUCEWRRSA-N 1 3 354.441 3.440 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110914778 495021365 /nfs/dbraw/zinc/02/13/65/495021365.db2.gz FUJSCHYIPDRBHI-FQEVSTJZSA-N 1 3 371.569 3.477 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110914778 495021366 /nfs/dbraw/zinc/02/13/66/495021366.db2.gz FUJSCHYIPDRBHI-FQEVSTJZSA-N 1 3 371.569 3.477 20 0 FGADHO C[C@@H]1CSCCN(Cc2cncc(C[N@@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577876 505756326 /nfs/dbraw/zinc/75/63/26/505756326.db2.gz WDPSLXRNIUBEJN-IRXDYDNUSA-N 1 3 365.612 3.451 20 0 FGADHO C[C@@H]1CSCCN(Cc2cncc(C[N@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577876 505756329 /nfs/dbraw/zinc/75/63/29/505756329.db2.gz WDPSLXRNIUBEJN-IRXDYDNUSA-N 1 3 365.612 3.451 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000577601437 505761782 /nfs/dbraw/zinc/76/17/82/505761782.db2.gz IYBGCRYQTHGJTN-RBBKRZOGSA-N 1 3 369.553 3.060 20 0 FGADHO C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000128959299 495174960 /nfs/dbraw/zinc/17/49/60/495174960.db2.gz RBXFNGWCSDTWBG-UWJYYQICSA-N 1 3 367.493 3.083 20 0 FGADHO CC(C)[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000103077345 495190671 /nfs/dbraw/zinc/19/06/71/495190671.db2.gz AJEOARHXRNFLGL-JOCHJYFZSA-N 1 3 371.569 3.491 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000119629178 495205960 /nfs/dbraw/zinc/20/59/60/495205960.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000119629178 495205964 /nfs/dbraw/zinc/20/59/64/495205964.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 1 3 372.557 3.023 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103298849 495215333 /nfs/dbraw/zinc/21/53/33/495215333.db2.gz CPNIHCFSQQNTNR-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO CN(CCC(=O)N(C)c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135111593 495252153 /nfs/dbraw/zinc/25/21/53/495252153.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 1 3 365.521 3.493 20 0 FGADHO CN(CCC(=O)N(C)c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135111593 495252156 /nfs/dbraw/zinc/25/21/56/495252156.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 1 3 365.521 3.493 20 0 FGADHO CSc1ccc(C)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000124379111 495278036 /nfs/dbraw/zinc/27/80/36/495278036.db2.gz YNZVIYBAWOZQMR-UHFFFAOYSA-N 1 3 361.555 3.005 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000113579148 495316948 /nfs/dbraw/zinc/31/69/48/495316948.db2.gz QHWKJBPSQCUSGF-UHFFFAOYSA-N 1 3 372.557 3.165 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CC2 ZINC000124659707 495324486 /nfs/dbraw/zinc/32/44/86/495324486.db2.gz DGMRWYOMQPJVBI-OAQYLSRUSA-N 1 3 357.542 3.222 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000130019356 495329266 /nfs/dbraw/zinc/32/92/66/495329266.db2.gz CDXNLYQMIFJOHI-NRFANRHFSA-N 1 3 351.494 3.143 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000120690492 495436027 /nfs/dbraw/zinc/43/60/27/495436027.db2.gz WEURQIAJZZKTMJ-NRFANRHFSA-N 1 3 368.525 3.308 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000138157059 495456498 /nfs/dbraw/zinc/45/64/98/495456498.db2.gz IOIPPQTVQFDTQD-XVAXZDLZSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(Cc1ccccc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571652966 505783740 /nfs/dbraw/zinc/78/37/40/505783740.db2.gz DILSBLQGSIDKSJ-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530842 495464294 /nfs/dbraw/zinc/46/42/94/495464294.db2.gz RZUMEAINVLIESG-TZIWHRDSSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530842 495464295 /nfs/dbraw/zinc/46/42/95/495464295.db2.gz RZUMEAINVLIESG-TZIWHRDSSA-N 1 3 370.541 3.140 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(CC)Cc2ccc(CN(C)C)cc2)CC1 ZINC000107329735 495525360 /nfs/dbraw/zinc/52/53/60/495525360.db2.gz QLVFTFKTRZMDKX-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182362734 495534074 /nfs/dbraw/zinc/53/40/74/495534074.db2.gz NPDFUKVYEODCFC-MSOLQXFVSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362734 495534077 /nfs/dbraw/zinc/53/40/77/495534077.db2.gz NPDFUKVYEODCFC-MSOLQXFVSA-N 1 3 364.578 3.203 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000173557471 495587015 /nfs/dbraw/zinc/58/70/15/495587015.db2.gz VULMOYJEQOFEDH-YLJYHZDGSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000173564632 495589979 /nfs/dbraw/zinc/58/99/79/495589979.db2.gz SDGYLWQRMLENRL-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423731 495612853 /nfs/dbraw/zinc/61/28/53/495612853.db2.gz OGQKVAWKBKUKCR-GOSISDBHSA-N 1 3 355.473 3.356 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2ccccc2)CC1 ZINC000185591273 495635870 /nfs/dbraw/zinc/63/58/70/495635870.db2.gz BFDWZYVDTNROHN-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@H]1C[NH+](CC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654480 495678297 /nfs/dbraw/zinc/67/82/97/495678297.db2.gz LUJCDYWDAPXARD-ROUUACIJSA-N 1 3 368.525 3.398 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000182758994 495691349 /nfs/dbraw/zinc/69/13/49/495691349.db2.gz UTFPZIDCHNQSSK-UHFFFAOYSA-N 1 3 370.541 3.337 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185733424 495702160 /nfs/dbraw/zinc/70/21/60/495702160.db2.gz HWUVNEYIOARJDN-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185733424 495702168 /nfs/dbraw/zinc/70/21/68/495702168.db2.gz HWUVNEYIOARJDN-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185733424 495702173 /nfs/dbraw/zinc/70/21/73/495702173.db2.gz HWUVNEYIOARJDN-QKNQBKEWSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000171056915 495705882 /nfs/dbraw/zinc/70/58/82/495705882.db2.gz GNFPLPWANKVZOG-LEWJYISDSA-N 1 3 370.541 3.012 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151003016 495707903 /nfs/dbraw/zinc/70/79/03/495707903.db2.gz CUGIVXFLHPUUAT-SFHVURJKSA-N 1 3 371.447 3.188 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176584866 495709272 /nfs/dbraw/zinc/70/92/72/495709272.db2.gz LFGJGPLBHQSAKN-UXHICEINSA-N 1 3 364.578 3.013 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000171313577 495816281 /nfs/dbraw/zinc/81/62/81/495816281.db2.gz LEZWNRROFQAANP-SFHVURJKSA-N 1 3 360.546 3.012 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584529 496003683 /nfs/dbraw/zinc/00/36/83/496003683.db2.gz YVZONMXUCGNYPA-KGLIPLIRSA-N 1 3 372.326 3.265 20 0 FGADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000155594007 496006327 /nfs/dbraw/zinc/00/63/27/496006327.db2.gz KDNOHESRHFOWSU-MAUKXSAKSA-N 1 3 353.938 3.415 20 0 FGADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000177342924 496026121 /nfs/dbraw/zinc/02/61/21/496026121.db2.gz IEGSXZQFRGDODO-UHFFFAOYSA-N 1 3 355.482 3.249 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000571817300 505820585 /nfs/dbraw/zinc/82/05/85/505820585.db2.gz WRDWWHMSKVYYKA-NQIIRXRSSA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000571817300 505820587 /nfs/dbraw/zinc/82/05/87/505820587.db2.gz WRDWWHMSKVYYKA-NQIIRXRSSA-N 1 3 360.546 3.069 20 0 FGADHO CCc1noc(C2CCC([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000183747112 496101510 /nfs/dbraw/zinc/10/15/10/496101510.db2.gz URYVKSFQRFXDRD-VYMRPNJYSA-N 1 3 364.534 3.137 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000156287907 496207424 /nfs/dbraw/zinc/20/74/24/496207424.db2.gz RDALGCVXFLAXPH-SBHAEUEKSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000180995861 496234688 /nfs/dbraw/zinc/23/46/88/496234688.db2.gz AHLLCAMGZCPEPP-HNNXBMFYSA-N 1 3 359.901 3.482 20 0 FGADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178034342 496297598 /nfs/dbraw/zinc/29/75/98/496297598.db2.gz CELDILCCWVKBCH-GBESFXJTSA-N 1 3 361.530 3.191 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389723 496347181 /nfs/dbraw/zinc/34/71/81/496347181.db2.gz MEGBLNZBTIGZFW-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO COC[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153092541 496349963 /nfs/dbraw/zinc/34/99/63/496349963.db2.gz JTXATVOBVVHQLE-INIZCTEOSA-N 1 3 373.463 3.232 20 0 FGADHO Cc1cncc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000184407479 496371022 /nfs/dbraw/zinc/37/10/22/496371022.db2.gz CXVNAHNXJYSCPD-GOSISDBHSA-N 1 3 366.509 3.066 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000181518379 496429445 /nfs/dbraw/zinc/42/94/45/496429445.db2.gz YHBKBFZJWOMKQE-BDTNDASRSA-N 1 3 371.569 3.117 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(OCCN(C)C)c1 ZINC000178366235 496429959 /nfs/dbraw/zinc/42/99/59/496429959.db2.gz XSJXMMWXRAUONV-OAHLLOKOSA-N 1 3 373.463 3.304 20 0 FGADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000157250702 496438047 /nfs/dbraw/zinc/43/80/47/496438047.db2.gz OVMLCXKTQITJLO-NRFANRHFSA-N 1 3 373.541 3.404 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000574742494 505845821 /nfs/dbraw/zinc/84/58/21/505845821.db2.gz ZOKWKNBTIMTZRL-WGSAOQKQSA-N 1 3 372.557 3.058 20 0 FGADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1Cl ZINC000580828887 505847567 /nfs/dbraw/zinc/84/75/67/505847567.db2.gz PYHNOKOBGNWMFQ-IBGZPJMESA-N 1 3 374.912 3.465 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@H](C)O1 ZINC000178894961 496607706 /nfs/dbraw/zinc/60/77/06/496607706.db2.gz LNRKGHJMHOYUDZ-GASCZTMLSA-N 1 3 364.921 3.206 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000158193845 496647077 /nfs/dbraw/zinc/64/70/77/496647077.db2.gz ZAOOYBFBWIMFTH-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000158193845 496647087 /nfs/dbraw/zinc/64/70/87/496647087.db2.gz ZAOOYBFBWIMFTH-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000158193845 496647095 /nfs/dbraw/zinc/64/70/95/496647095.db2.gz ZAOOYBFBWIMFTH-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260657 496662930 /nfs/dbraw/zinc/66/29/30/496662930.db2.gz ZGSBATQOVPGBDV-IAGOWNOFSA-N 1 3 364.555 3.395 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000165973561 496673875 /nfs/dbraw/zinc/67/38/75/496673875.db2.gz TWMBCZXPNFWNBF-DNVCBOLYSA-N 1 3 362.493 3.327 20 0 FGADHO COc1ccc([C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969363 496674189 /nfs/dbraw/zinc/67/41/89/496674189.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccc([C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969363 496674194 /nfs/dbraw/zinc/67/41/94/496674194.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 1 3 357.542 3.439 20 0 FGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000173429121 496689950 /nfs/dbraw/zinc/68/99/50/496689950.db2.gz VHJCKDPRLMDVDQ-AWEZNQCLSA-N 1 3 361.436 3.107 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000182331249 496729992 /nfs/dbraw/zinc/72/99/92/496729992.db2.gz SIBCQRBOMPQGKM-HXUWFJFHSA-N 1 3 372.534 3.082 20 0 FGADHO CCCN(CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1ccccc1C ZINC000191425703 496758382 /nfs/dbraw/zinc/75/83/82/496758382.db2.gz LFBFAVXRGHNGSE-UHFFFAOYSA-N 1 3 374.573 3.062 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000247044792 496761807 /nfs/dbraw/zinc/76/18/07/496761807.db2.gz OLRWETGAKULMEI-IXDOHACOSA-N 1 3 350.503 3.244 20 0 FGADHO COc1cccc2c1CCC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000194940117 496768014 /nfs/dbraw/zinc/76/80/14/496768014.db2.gz ZZEWLWBZFBAVCZ-LJQANCHMSA-N 1 3 355.482 3.198 20 0 FGADHO CC1CCN([C@H](CNC(=O)CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000273315970 496772533 /nfs/dbraw/zinc/77/25/33/496772533.db2.gz XXBIZJFBRRDLNJ-GOSISDBHSA-N 1 3 363.571 3.369 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769706 496779919 /nfs/dbraw/zinc/77/99/19/496779919.db2.gz DNKZCIRMQAZSBA-FBBABVLZSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769706 496779924 /nfs/dbraw/zinc/77/99/24/496779924.db2.gz DNKZCIRMQAZSBA-FBBABVLZSA-N 1 3 354.494 3.371 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495198 496783045 /nfs/dbraw/zinc/78/30/45/496783045.db2.gz ZSRBVVGBLKQBJM-IBGZPJMESA-N 1 3 363.571 3.239 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782515 496783741 /nfs/dbraw/zinc/78/37/41/496783741.db2.gz UNHOCCAWRWDCBU-JXFKEZNVSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(NC(N)=O)cc1 ZINC000268782515 496783746 /nfs/dbraw/zinc/78/37/46/496783746.db2.gz UNHOCCAWRWDCBU-JXFKEZNVSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793334 496788007 /nfs/dbraw/zinc/78/80/07/496788007.db2.gz NBNLKHDQMDGJEO-MJGOQNOKSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793334 496788010 /nfs/dbraw/zinc/78/80/10/496788010.db2.gz NBNLKHDQMDGJEO-MJGOQNOKSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793333 496788136 /nfs/dbraw/zinc/78/81/36/496788136.db2.gz NBNLKHDQMDGJEO-IEBWSBKVSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793333 496788139 /nfs/dbraw/zinc/78/81/39/496788139.db2.gz NBNLKHDQMDGJEO-IEBWSBKVSA-N 1 3 369.484 3.198 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000247145113 496791792 /nfs/dbraw/zinc/79/17/92/496791792.db2.gz WLXHGXISGTYKTE-CEXWTWQISA-N 1 3 356.514 3.412 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCS2 ZINC000191516285 496793266 /nfs/dbraw/zinc/79/32/66/496793266.db2.gz CFLKRSRXBGLMPT-BEFAXECRSA-N 1 3 362.539 3.323 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000569163653 505866764 /nfs/dbraw/zinc/86/67/64/505866764.db2.gz PWDPYZZKBKQQFV-OAQYLSRUSA-N 1 3 369.484 3.454 20 0 FGADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268869761 496808947 /nfs/dbraw/zinc/80/89/47/496808947.db2.gz UWXVQOAVMASDLV-CQSZACIVSA-N 1 3 360.420 3.125 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111486 496873477 /nfs/dbraw/zinc/87/34/77/496873477.db2.gz IYKUHFKQBFOMIB-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000269111486 496873482 /nfs/dbraw/zinc/87/34/82/496873482.db2.gz IYKUHFKQBFOMIB-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035725 496945287 /nfs/dbraw/zinc/94/52/87/496945287.db2.gz LESCQYBXQRKXJK-SESVDKBCSA-N 1 3 355.526 3.203 20 0 FGADHO CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035725 496945291 /nfs/dbraw/zinc/94/52/91/496945291.db2.gz LESCQYBXQRKXJK-SESVDKBCSA-N 1 3 355.526 3.203 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(-c2ccncc2)ccc1OC ZINC000274849005 497180768 /nfs/dbraw/zinc/18/07/68/497180768.db2.gz XQHJZQYDJZZSQO-HXUWFJFHSA-N 1 3 357.498 3.204 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237192907 497203026 /nfs/dbraw/zinc/20/30/26/497203026.db2.gz DRTLDVNCKVIPNS-JOCHJYFZSA-N 1 3 365.521 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237192907 497203028 /nfs/dbraw/zinc/20/30/28/497203028.db2.gz DRTLDVNCKVIPNS-JOCHJYFZSA-N 1 3 365.521 3.100 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249683640 497231777 /nfs/dbraw/zinc/23/17/77/497231777.db2.gz CKFSJRNJZRFULM-TZIWHRDSSA-N 1 3 374.573 3.113 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249683640 497231782 /nfs/dbraw/zinc/23/17/82/497231782.db2.gz CKFSJRNJZRFULM-TZIWHRDSSA-N 1 3 374.573 3.113 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014600 497232415 /nfs/dbraw/zinc/23/24/15/497232415.db2.gz UJSBQLHMCRVREE-NQIIRXRSSA-N 1 3 357.542 3.087 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014600 497232418 /nfs/dbraw/zinc/23/24/18/497232418.db2.gz UJSBQLHMCRVREE-NQIIRXRSSA-N 1 3 357.542 3.087 20 0 FGADHO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1(C)C ZINC000249767252 497245028 /nfs/dbraw/zinc/24/50/28/497245028.db2.gz ITOSWVYHMBIQKQ-WQZMEWCLSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237678975 497274980 /nfs/dbraw/zinc/27/49/80/497274980.db2.gz TUQBGEYCCATAHC-UWJYYQICSA-N 1 3 351.494 3.128 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318300 /nfs/dbraw/zinc/31/83/00/497318300.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 1 3 373.585 3.234 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340180 /nfs/dbraw/zinc/34/01/80/497340180.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340184 /nfs/dbraw/zinc/34/01/84/497340184.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340191 /nfs/dbraw/zinc/34/01/91/497340191.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340197 /nfs/dbraw/zinc/34/01/97/497340197.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758312 497446104 /nfs/dbraw/zinc/44/61/04/497446104.db2.gz FQUKMYIFAUHTDG-AZUAARDMSA-N 1 3 357.542 3.064 20 0 FGADHO CCOc1c(Br)cc(CNCC2=CC[N@H+](C)CC2)cc1OC ZINC000271788175 497450727 /nfs/dbraw/zinc/45/07/27/497450727.db2.gz GBGUSHPXFQQGII-UHFFFAOYSA-N 1 3 369.303 3.208 20 0 FGADHO CCOc1c(Br)cc(CNCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271788175 497450732 /nfs/dbraw/zinc/45/07/32/497450732.db2.gz GBGUSHPXFQQGII-UHFFFAOYSA-N 1 3 369.303 3.208 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000581105214 505910118 /nfs/dbraw/zinc/91/01/18/505910118.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000581105214 505910119 /nfs/dbraw/zinc/91/01/19/505910119.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000245590040 497468070 /nfs/dbraw/zinc/46/80/70/497468070.db2.gz AXPLSDPLZIVPIS-DBXWQHBBSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000245590040 497468074 /nfs/dbraw/zinc/46/80/74/497468074.db2.gz AXPLSDPLZIVPIS-DBXWQHBBSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000245590040 497468079 /nfs/dbraw/zinc/46/80/79/497468079.db2.gz AXPLSDPLZIVPIS-DBXWQHBBSA-N 1 3 372.557 3.336 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC2=CC[N@H+](C)CC2)c1 ZINC000271851435 497469678 /nfs/dbraw/zinc/46/96/78/497469678.db2.gz TWUQOBQGJPYALC-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000271851435 497469682 /nfs/dbraw/zinc/46/96/82/497469682.db2.gz TWUQOBQGJPYALC-UHFFFAOYSA-N 1 3 353.466 3.021 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CCN(C)CC1 ZINC000271875090 497477352 /nfs/dbraw/zinc/47/73/52/497477352.db2.gz NYLYGDIWRCXBNY-ZDUSSCGKSA-N 1 3 355.404 3.274 20 0 FGADHO [NH3+]Cc1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)cc1 ZINC000261925361 497477798 /nfs/dbraw/zinc/47/77/98/497477798.db2.gz CAUXBKDIKRWSSI-UHFFFAOYSA-N 1 3 366.490 3.411 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000267314395 497523573 /nfs/dbraw/zinc/52/35/73/497523573.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000267314395 497523576 /nfs/dbraw/zinc/52/35/76/497523576.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO COc1ccccc1-c1ccc([C@@H](C)N(C)CCN2CC[NH2+]CC2)cc1 ZINC000575060084 505912698 /nfs/dbraw/zinc/91/26/98/505912698.db2.gz WHIFIEQOTSTXFI-GOSISDBHSA-N 1 3 353.510 3.260 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193996803 497543066 /nfs/dbraw/zinc/54/30/66/497543066.db2.gz ATJZGMWAYALKJA-BHIFYINESA-N 1 3 369.553 3.136 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@@H]1c1cccs1 ZINC000262447538 497557760 /nfs/dbraw/zinc/55/77/60/497557760.db2.gz VMJBUKNRWFTSIM-YNVMFWSZSA-N 1 3 361.555 3.027 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000245884937 497560587 /nfs/dbraw/zinc/56/05/87/497560587.db2.gz ISBKHUHWDWPVJO-MJGOQNOKSA-N 1 3 357.542 3.054 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272223085 497568553 /nfs/dbraw/zinc/56/85/53/497568553.db2.gz AJHHZQPOIQGWAD-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223085 497568556 /nfs/dbraw/zinc/56/85/56/497568556.db2.gz AJHHZQPOIQGWAD-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223085 497568559 /nfs/dbraw/zinc/56/85/59/497568559.db2.gz AJHHZQPOIQGWAD-PIPMEXSNSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H](N)c1ccccc1 ZINC000262663097 497594016 /nfs/dbraw/zinc/59/40/16/497594016.db2.gz ZQISNWRFYKZXBV-ZVDOUQERSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000262674869 497597272 /nfs/dbraw/zinc/59/72/72/497597272.db2.gz RJYKWPCILKESHN-FYKMYLNBSA-N 1 3 369.553 3.419 20 0 FGADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@]12CCCO2 ZINC000272670682 497696739 /nfs/dbraw/zinc/69/67/39/497696739.db2.gz KKTQHGZBKLACHP-YPAWHYETSA-N 1 3 358.526 3.010 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700839 /nfs/dbraw/zinc/70/08/39/497700839.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700844 /nfs/dbraw/zinc/70/08/44/497700844.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000272854468 497745574 /nfs/dbraw/zinc/74/55/74/497745574.db2.gz IGQDMQSILKNYBH-LAUBAEHRSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000272854468 497745577 /nfs/dbraw/zinc/74/55/77/497745577.db2.gz IGQDMQSILKNYBH-LAUBAEHRSA-N 1 3 354.494 3.421 20 0 FGADHO CCOc1c(Cl)cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268431234 497748369 /nfs/dbraw/zinc/74/83/69/497748369.db2.gz PBMKXZJXFBNOAK-UHFFFAOYSA-N 1 3 370.921 3.072 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000263315540 497755917 /nfs/dbraw/zinc/75/59/17/497755917.db2.gz ZKKHEEDYQKEFFY-IFMALSPDSA-N 1 3 370.541 3.065 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000191298238 497773367 /nfs/dbraw/zinc/77/33/67/497773367.db2.gz QCYMKUCHVGJXME-YLJYHZDGSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000246902636 497819452 /nfs/dbraw/zinc/81/94/52/497819452.db2.gz FWQLTEHNJQYCSZ-XNFNUYLZSA-N 1 3 365.949 3.032 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169519 497907961 /nfs/dbraw/zinc/90/79/61/497907961.db2.gz OAWFNNLOUAMFDO-KRWDZBQOSA-N 1 3 369.509 3.180 20 0 FGADHO COCCN(C)CC[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360913 505950278 /nfs/dbraw/zinc/95/02/78/505950278.db2.gz QWARBZLADXEMST-LAUBAEHRSA-N 1 3 369.509 3.146 20 0 FGADHO CN1CC[C@@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584318 498069327 /nfs/dbraw/zinc/06/93/27/498069327.db2.gz JYJOUFHEMGVFGF-JOCHJYFZSA-N 1 3 370.541 3.275 20 0 FGADHO C[C@@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc21 ZINC000289247760 498076600 /nfs/dbraw/zinc/07/66/00/498076600.db2.gz NFXKASMPJOTDRS-IIBYNOLFSA-N 1 3 351.494 3.316 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296577946 498104971 /nfs/dbraw/zinc/10/49/71/498104971.db2.gz WOHZGLREMKNIHN-JOCHJYFZSA-N 1 3 371.569 3.276 20 0 FGADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285619889 498149725 /nfs/dbraw/zinc/14/97/25/498149725.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 1 3 353.869 3.365 20 0 FGADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285619889 498149718 /nfs/dbraw/zinc/14/97/18/498149718.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 1 3 353.869 3.365 20 0 FGADHO C[N@H+](Cc1ccccc1)C1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000285645029 498157574 /nfs/dbraw/zinc/15/75/74/498157574.db2.gz LYVKLATZZPYJID-CBNMVNINSA-N 1 3 351.494 3.246 20 0 FGADHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000285645029 498157581 /nfs/dbraw/zinc/15/75/81/498157581.db2.gz LYVKLATZZPYJID-CBNMVNINSA-N 1 3 351.494 3.246 20 0 FGADHO CCc1nc(C(C)C)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000292967492 498214891 /nfs/dbraw/zinc/21/48/91/498214891.db2.gz JZPMGZRPSHGICM-UHFFFAOYSA-N 1 3 372.557 3.056 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000365070828 498283258 /nfs/dbraw/zinc/28/32/58/498283258.db2.gz YOAIXMJEHGKXAG-AKIFATBCSA-N 1 3 372.553 3.328 20 0 FGADHO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC(F)F ZINC000578738847 506010248 /nfs/dbraw/zinc/01/02/48/506010248.db2.gz FXFNSVFGNVCCOH-DOTOQJQBSA-N 1 3 370.440 3.015 20 0 FGADHO Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)c2cccc(F)c2n1 ZINC000301874765 498306625 /nfs/dbraw/zinc/30/66/25/498306625.db2.gz YAKKJQFMNXICKG-JWTNVVGKSA-N 1 3 368.500 3.430 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000569778648 506013299 /nfs/dbraw/zinc/01/32/99/506013299.db2.gz BZURHHUUPJAHDA-UHFFFAOYSA-N 1 3 371.569 3.406 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286242130 498336363 /nfs/dbraw/zinc/33/63/63/498336363.db2.gz UAJWHHDIXKQOCH-GOSISDBHSA-N 1 3 368.525 3.155 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007364 498354876 /nfs/dbraw/zinc/35/48/76/498354876.db2.gz VRYQNRRKISXXSS-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCc1c(C)[nH+]c2ccccc2c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000302054478 498386376 /nfs/dbraw/zinc/38/63/76/498386376.db2.gz QDSWIVLPLDWBQL-FQEVSTJZSA-N 1 3 366.509 3.024 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454369 498390376 /nfs/dbraw/zinc/39/03/76/498390376.db2.gz PRAOQOVVRBTMOI-SFHVURJKSA-N 1 3 365.521 3.487 20 0 FGADHO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454369 498390378 /nfs/dbraw/zinc/39/03/78/498390378.db2.gz PRAOQOVVRBTMOI-SFHVURJKSA-N 1 3 365.521 3.487 20 0 FGADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)c(OCc2cccnc2)c1 ZINC000578831300 506030440 /nfs/dbraw/zinc/03/04/40/506030440.db2.gz AMSNXWRXTMPTIT-QGZVFWFLSA-N 1 3 355.482 3.101 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@H](C)O1 ZINC000282251996 498439855 /nfs/dbraw/zinc/43/98/55/498439855.db2.gz MWPXVQUEFMDTKQ-HOTGVXAUSA-N 1 3 362.543 3.128 20 0 FGADHO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000361946425 498443017 /nfs/dbraw/zinc/44/30/17/498443017.db2.gz XEFNHQIVWWFQLQ-LPHOPBHVSA-N 1 3 372.538 3.106 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000290192134 498459168 /nfs/dbraw/zinc/45/91/68/498459168.db2.gz FZKXOLVUANPPJE-XLIONFOSSA-N 1 3 370.468 3.178 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000290192134 498459171 /nfs/dbraw/zinc/45/91/71/498459171.db2.gz FZKXOLVUANPPJE-XLIONFOSSA-N 1 3 370.468 3.178 20 0 FGADHO CCc1c2ccccc2oc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000578858007 506038591 /nfs/dbraw/zinc/03/85/91/506038591.db2.gz NZZVGFNKEAVMHQ-HLLQZAQXSA-N 1 3 369.509 3.293 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000290253000 498483392 /nfs/dbraw/zinc/48/33/92/498483392.db2.gz KAEQSPLZZRABJC-QZTJIDSGSA-N 1 3 362.514 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000290253000 498483398 /nfs/dbraw/zinc/48/33/98/498483398.db2.gz KAEQSPLZZRABJC-QZTJIDSGSA-N 1 3 362.514 3.279 20 0 FGADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000287042836 498604208 /nfs/dbraw/zinc/60/42/08/498604208.db2.gz IXLYJIDQOMXKBT-GHTZIAJQSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@H](O)[C@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298063923 498654712 /nfs/dbraw/zinc/65/47/12/498654712.db2.gz KIUFZGSAKUIUGP-AVRDEDQJSA-N 1 3 353.510 3.270 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000365873961 498681407 /nfs/dbraw/zinc/68/14/07/498681407.db2.gz FFUHDFYJBUMTAA-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000365873961 498681415 /nfs/dbraw/zinc/68/14/15/498681415.db2.gz FFUHDFYJBUMTAA-NRFANRHFSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000303517341 498684756 /nfs/dbraw/zinc/68/47/56/498684756.db2.gz YHEKQZDLFMMVSL-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC(CC[NH3+])CC1 ZINC000572889247 506076271 /nfs/dbraw/zinc/07/62/71/506076271.db2.gz FVBDGVIZEQMSHD-DLBZAZTESA-N 1 3 353.510 3.466 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646349 498760499 /nfs/dbraw/zinc/76/04/99/498760499.db2.gz KELQXAPHWQXEOM-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646349 498760503 /nfs/dbraw/zinc/76/05/03/498760503.db2.gz KELQXAPHWQXEOM-FGZHOGPDSA-N 1 3 368.521 3.155 20 0 FGADHO CO[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1(C)C ZINC000294714152 498781000 /nfs/dbraw/zinc/78/10/00/498781000.db2.gz CAXOSLFKBLDQHJ-NRFANRHFSA-N 1 3 359.558 3.464 20 0 FGADHO CO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1(C)C ZINC000294714152 498781008 /nfs/dbraw/zinc/78/10/08/498781008.db2.gz CAXOSLFKBLDQHJ-NRFANRHFSA-N 1 3 359.558 3.464 20 0 FGADHO Cc1ncsc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000581932131 506092933 /nfs/dbraw/zinc/09/29/33/506092933.db2.gz KYYBOIXUQKUUAH-LJQANCHMSA-N 1 3 371.550 3.470 20 0 FGADHO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000363552591 498874933 /nfs/dbraw/zinc/87/49/33/498874933.db2.gz DYAJECDQBVMFPN-GOSISDBHSA-N 1 3 374.529 3.028 20 0 FGADHO CN1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331374 498877324 /nfs/dbraw/zinc/87/73/24/498877324.db2.gz VREHVSDIWKFYJW-IEBWSBKVSA-N 1 3 357.885 3.222 20 0 FGADHO C[N@@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734580 498965903 /nfs/dbraw/zinc/96/59/03/498965903.db2.gz UVSMUUAUDBWRPG-VYDXJSESSA-N 1 3 365.543 3.340 20 0 FGADHO C[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734580 498965907 /nfs/dbraw/zinc/96/59/07/498965907.db2.gz UVSMUUAUDBWRPG-VYDXJSESSA-N 1 3 365.543 3.340 20 0 FGADHO CN(C)Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291958 506123260 /nfs/dbraw/zinc/12/32/60/506123260.db2.gz XVAAOEVRCRFBJE-SFHVURJKSA-N 1 3 355.457 3.348 20 0 FGADHO CN(C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291958 506123264 /nfs/dbraw/zinc/12/32/64/506123264.db2.gz XVAAOEVRCRFBJE-SFHVURJKSA-N 1 3 355.457 3.348 20 0 FGADHO CN1CCC([N@@H+]2CC[C@@H](N[C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832657 499016785 /nfs/dbraw/zinc/01/67/85/499016785.db2.gz XQZLFMXOKDFFDI-DENIHFKCSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@@H](N[C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832657 499016788 /nfs/dbraw/zinc/01/67/88/499016788.db2.gz XQZLFMXOKDFFDI-DENIHFKCSA-N 1 3 368.500 3.068 20 0 FGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662480 499022682 /nfs/dbraw/zinc/02/26/82/499022682.db2.gz FTPDBBKYUFDXHE-IZZBFERCSA-N 1 3 361.574 3.410 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291865739 499088294 /nfs/dbraw/zinc/08/82/94/499088294.db2.gz GZWORDBRFQLICD-GHTZIAJQSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291865739 499088300 /nfs/dbraw/zinc/08/83/00/499088300.db2.gz GZWORDBRFQLICD-GHTZIAJQSA-N 1 3 357.542 3.230 20 0 FGADHO Cc1ccc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000367027596 499136054 /nfs/dbraw/zinc/13/60/54/499136054.db2.gz GGJOUXVTUNTGMU-UNMCSNQZSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000370111170 499181991 /nfs/dbraw/zinc/18/19/91/499181991.db2.gz KUXMLSAJGGVACO-RHSMWYFYSA-N 1 3 366.347 3.268 20 0 FGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592827 499215806 /nfs/dbraw/zinc/21/58/06/499215806.db2.gz GWDGOQHNUYKWSF-PZJWPPBQSA-N 1 3 370.541 3.273 20 0 FGADHO [NH3+]CCCCCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370762771 499252154 /nfs/dbraw/zinc/25/21/54/499252154.db2.gz ASONGYJZZYRGJQ-JOCHJYFZSA-N 1 3 357.542 3.410 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367995220 499253137 /nfs/dbraw/zinc/25/31/37/499253137.db2.gz YDTRPUACEGBEEW-RGCFKVTRSA-N 1 3 362.489 3.301 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367995220 499253138 /nfs/dbraw/zinc/25/31/38/499253138.db2.gz YDTRPUACEGBEEW-RGCFKVTRSA-N 1 3 362.489 3.301 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000582124923 506139535 /nfs/dbraw/zinc/13/95/35/506139535.db2.gz YXOYTWZEAAMAFF-GOSISDBHSA-N 1 3 355.457 3.396 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241529 499301445 /nfs/dbraw/zinc/30/14/45/499301445.db2.gz CRXKSABLTPNTSY-SFHLNBCPSA-N 1 3 373.516 3.028 20 0 FGADHO Cn1cc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c(-c2cccs2)n1 ZINC000371427582 499325458 /nfs/dbraw/zinc/32/54/58/499325458.db2.gz XGTDDMWXDGMGTK-UHFFFAOYSA-N 1 3 374.554 3.224 20 0 FGADHO Cn1cc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c(-c2cccs2)n1 ZINC000371427582 499325459 /nfs/dbraw/zinc/32/54/59/499325459.db2.gz XGTDDMWXDGMGTK-UHFFFAOYSA-N 1 3 374.554 3.224 20 0 FGADHO COC1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355764 /nfs/dbraw/zinc/35/57/64/499355764.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 1 3 358.526 3.169 20 0 FGADHO COC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355765 /nfs/dbraw/zinc/35/57/65/499355765.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 1 3 358.526 3.169 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000369200005 499376662 /nfs/dbraw/zinc/37/66/62/499376662.db2.gz CHIXCMPFTAGIRJ-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369680668 499435352 /nfs/dbraw/zinc/43/53/52/499435352.db2.gz WEZSCSOIDQCBPW-HNNXBMFYSA-N 1 3 355.482 3.241 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369680668 499435354 /nfs/dbraw/zinc/43/53/54/499435354.db2.gz WEZSCSOIDQCBPW-HNNXBMFYSA-N 1 3 355.482 3.241 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1 ZINC000378201847 499490096 /nfs/dbraw/zinc/49/00/96/499490096.db2.gz KLDSSILQRLNIMO-QGZVFWFLSA-N 1 3 368.525 3.272 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(Cl)cn1 ZINC000378490827 499523817 /nfs/dbraw/zinc/52/38/17/499523817.db2.gz RJHCKIRVICJSIF-UHFFFAOYSA-N 1 3 364.965 3.363 20 0 FGADHO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000378568163 499532632 /nfs/dbraw/zinc/53/26/32/499532632.db2.gz JPTBJWKXWJLKLR-DLBZAZTESA-N 1 3 359.514 3.127 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614913 499537739 /nfs/dbraw/zinc/53/77/39/499537739.db2.gz FQIYGMWCFFYTPK-QMKUDKLTSA-N 1 3 359.514 3.185 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614913 499537740 /nfs/dbraw/zinc/53/77/40/499537740.db2.gz FQIYGMWCFFYTPK-QMKUDKLTSA-N 1 3 359.514 3.185 20 0 FGADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000380460987 499543473 /nfs/dbraw/zinc/54/34/73/499543473.db2.gz PDHDXLZUJRPUNR-LPHOPBHVSA-N 1 3 369.509 3.120 20 0 FGADHO Oc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CCC2 ZINC000397625329 499564559 /nfs/dbraw/zinc/56/45/59/499564559.db2.gz XTHORHKAUZQBAI-QFIPXVFZSA-N 1 3 366.505 3.386 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000410349448 499657015 /nfs/dbraw/zinc/65/70/15/499657015.db2.gz PVVQECGDUZCFHX-RTBURBONSA-N 1 3 352.563 3.405 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355892 499657258 /nfs/dbraw/zinc/65/72/58/499657258.db2.gz AGZHTSJZLAOOGU-QZTJIDSGSA-N 1 3 359.514 3.405 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355892 499657259 /nfs/dbraw/zinc/65/72/59/499657259.db2.gz AGZHTSJZLAOOGU-QZTJIDSGSA-N 1 3 359.514 3.405 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)CC2)CC1 ZINC000377127165 499664554 /nfs/dbraw/zinc/66/45/54/499664554.db2.gz LZAGHTYODVPIHW-IOMROCGXSA-N 1 3 361.574 3.268 20 0 FGADHO COc1ccc2cc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246764 499673708 /nfs/dbraw/zinc/67/37/08/499673708.db2.gz WIYXZDRHLZFZMI-WZONZLPQSA-N 1 3 367.537 3.306 20 0 FGADHO CN(Cc1cnc(C2CCCC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377629008 499712784 /nfs/dbraw/zinc/71/27/84/499712784.db2.gz OZAUGNIIYFKCBA-SFHVURJKSA-N 1 3 362.587 3.401 20 0 FGADHO CC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000411451088 499742246 /nfs/dbraw/zinc/74/22/46/499742246.db2.gz UTZNCQQKQSNAHB-SFHVURJKSA-N 1 3 351.922 3.370 20 0 FGADHO Cc1c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000414298311 499775500 /nfs/dbraw/zinc/77/55/00/499775500.db2.gz GXHNMFMATLANJQ-GOSISDBHSA-N 1 3 370.541 3.450 20 0 FGADHO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334079 499778611 /nfs/dbraw/zinc/77/86/11/499778611.db2.gz GBHQNMFRHMNUKG-TZIWHRDSSA-N 1 3 357.542 3.442 20 0 FGADHO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334074 499778625 /nfs/dbraw/zinc/77/86/25/499778625.db2.gz GBHQNMFRHMNUKG-FPOVZHCZSA-N 1 3 357.542 3.442 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683486 499820135 /nfs/dbraw/zinc/82/01/35/499820135.db2.gz BGUVHNFOSZTNLF-UTKZUKDTSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683486 499820137 /nfs/dbraw/zinc/82/01/37/499820137.db2.gz BGUVHNFOSZTNLF-UTKZUKDTSA-N 1 3 351.494 3.174 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714841 499822078 /nfs/dbraw/zinc/82/20/78/499822078.db2.gz VYWYIVUEWAKVJA-LEWJYISDSA-N 1 3 357.542 3.061 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714841 499822079 /nfs/dbraw/zinc/82/20/79/499822079.db2.gz VYWYIVUEWAKVJA-LEWJYISDSA-N 1 3 357.542 3.061 20 0 FGADHO COC(=O)[C@H]1CSCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090039 499822178 /nfs/dbraw/zinc/82/21/78/499822178.db2.gz XQDJSRSIZZRILH-LJQANCHMSA-N 1 3 362.539 3.011 20 0 FGADHO c1ccc(CC(Cc2ccccc2)CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414773791 499829229 /nfs/dbraw/zinc/82/92/29/499829229.db2.gz SWXRNPQFQGJWIP-XMMPIXPASA-N 1 3 363.549 3.068 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414798440 499832531 /nfs/dbraw/zinc/83/25/31/499832531.db2.gz JBSYKVSIQNSVIA-XJKCOSOUSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414798440 499832533 /nfs/dbraw/zinc/83/25/33/499832533.db2.gz JBSYKVSIQNSVIA-XJKCOSOUSA-N 1 3 373.419 3.409 20 0 FGADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000414819775 499834342 /nfs/dbraw/zinc/83/43/42/499834342.db2.gz ZQNXVCJZUVKHTJ-GJZGRUSLSA-N 1 3 371.481 3.230 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855896 499838301 /nfs/dbraw/zinc/83/83/01/499838301.db2.gz XUXPBVKEKWLHFQ-WFASDCNBSA-N 1 3 356.308 3.129 20 0 FGADHO COCC1(CNCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000414970997 499850214 /nfs/dbraw/zinc/85/02/14/499850214.db2.gz IEIJUBDGPIHTOO-UHFFFAOYSA-N 1 3 361.711 3.208 20 0 FGADHO c1ccc([C@H]2C[C@H](NCc3ccccc3CN3CCOCC3)CC[NH2+]2)cc1 ZINC000415077320 499861103 /nfs/dbraw/zinc/86/11/03/499861103.db2.gz HMSJZYNZFKLWQQ-DHIUTWEWSA-N 1 3 365.521 3.102 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415087125 499862155 /nfs/dbraw/zinc/86/21/55/499862155.db2.gz UAEHVWZFZIOVFL-XQBPLPMBSA-N 1 3 359.558 3.308 20 0 FGADHO FC(F)(F)c1cccc(C2(C[NH2+]C[C@@H]3CCCNC3)CCOCC2)c1 ZINC000415094760 499862692 /nfs/dbraw/zinc/86/26/92/499862692.db2.gz YETGXJUTESJULA-OAHLLOKOSA-N 1 3 356.432 3.343 20 0 FGADHO FC(F)(F)c1cccc(C2(CNC[C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000415094760 499862693 /nfs/dbraw/zinc/86/26/93/499862693.db2.gz YETGXJUTESJULA-OAHLLOKOSA-N 1 3 356.432 3.343 20 0 FGADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(F)c1 ZINC000412585603 499865918 /nfs/dbraw/zinc/86/59/18/499865918.db2.gz VMSDVQWTEXHOIL-INIZCTEOSA-N 1 3 365.518 3.043 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000415126359 499867161 /nfs/dbraw/zinc/86/71/61/499867161.db2.gz MAXGTXXICYRFIU-IAGOWNOFSA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130364 499867835 /nfs/dbraw/zinc/86/78/35/499867835.db2.gz QREOPLRJTFWMTA-ROUUACIJSA-N 1 3 372.431 3.346 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415309800 499885480 /nfs/dbraw/zinc/88/54/80/499885480.db2.gz NJAWUGDAFUYIQS-ROUUACIJSA-N 1 3 374.529 3.190 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000415914028 499927531 /nfs/dbraw/zinc/92/75/31/499927531.db2.gz UBTKEYWRHSUKQO-PXNSSMCTSA-N 1 3 366.509 3.438 20 0 FGADHO CC[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)N1CCc2ccccc2C1 ZINC000415927395 499929482 /nfs/dbraw/zinc/92/94/82/499929482.db2.gz FOJFLLUVINMSKZ-NRFANRHFSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415943776 499931475 /nfs/dbraw/zinc/93/14/75/499931475.db2.gz MZABMAJTFAVKPJ-UTKZUKDTSA-N 1 3 366.509 3.438 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971256 499935523 /nfs/dbraw/zinc/93/55/23/499935523.db2.gz GFTHUBPQLCQQIX-OXJNMPFZSA-N 1 3 352.482 3.320 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415974736 499935951 /nfs/dbraw/zinc/93/59/51/499935951.db2.gz SASZXYVMFRPRGL-NHYWBVRUSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974736 499935953 /nfs/dbraw/zinc/93/59/53/499935953.db2.gz SASZXYVMFRPRGL-NHYWBVRUSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCN1C ZINC000415974736 499935955 /nfs/dbraw/zinc/93/59/55/499935955.db2.gz SASZXYVMFRPRGL-NHYWBVRUSA-N 1 3 358.408 3.111 20 0 FGADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970217 499971295 /nfs/dbraw/zinc/97/12/95/499971295.db2.gz XSEBRIBWUWCXDT-GGPKGHCWSA-N 1 3 374.573 3.173 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000417103364 499973405 /nfs/dbraw/zinc/97/34/05/499973405.db2.gz DAQCPBOGDGEBGV-DYESRHJHSA-N 1 3 366.509 3.170 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429026174 499986871 /nfs/dbraw/zinc/98/68/71/499986871.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 1 3 360.542 3.060 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429026174 499986873 /nfs/dbraw/zinc/98/68/73/499986873.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 1 3 360.542 3.060 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000416256121 499997429 /nfs/dbraw/zinc/99/74/29/499997429.db2.gz YKNZNOWFWYLVQH-FQEVSTJZSA-N 1 3 373.472 3.398 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000429075679 499998540 /nfs/dbraw/zinc/99/85/40/499998540.db2.gz QYSTVGUYQZCWAO-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000429075679 499998541 /nfs/dbraw/zinc/99/85/41/499998541.db2.gz QYSTVGUYQZCWAO-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000417295225 500031887 /nfs/dbraw/zinc/03/18/87/500031887.db2.gz JMKHHQQLRKGXMM-JKSUJKDBSA-N 1 3 374.451 3.125 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421393566 500035811 /nfs/dbraw/zinc/03/58/11/500035811.db2.gz YLJOQGWLTUGJOR-LJQANCHMSA-N 1 3 359.583 3.451 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399396 500061047 /nfs/dbraw/zinc/06/10/47/500061047.db2.gz ZMZFDIBFPWYAQZ-NMLBUPMWSA-N 1 3 363.496 3.359 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399396 500061049 /nfs/dbraw/zinc/06/10/49/500061049.db2.gz ZMZFDIBFPWYAQZ-NMLBUPMWSA-N 1 3 363.496 3.359 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425423162 500101457 /nfs/dbraw/zinc/10/14/57/500101457.db2.gz TXTUSAYPNJFXKE-UHFFFAOYSA-N 1 3 368.525 3.466 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000416834139 500133455 /nfs/dbraw/zinc/13/34/55/500133455.db2.gz DCUQLBVBAVKMKT-OAQYLSRUSA-N 1 3 366.509 3.172 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842046 500135488 /nfs/dbraw/zinc/13/54/88/500135488.db2.gz MOGJXAOBYJZFHI-SFTDATJTSA-N 1 3 372.557 3.243 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000576524641 506178315 /nfs/dbraw/zinc/17/83/15/506178315.db2.gz RVJTWTFYSZWRKT-LJQANCHMSA-N 1 3 373.928 3.477 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414064343 500142573 /nfs/dbraw/zinc/14/25/73/500142573.db2.gz FOKSSDWJQKLVRM-LJQANCHMSA-N 1 3 367.541 3.082 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417677521 500146910 /nfs/dbraw/zinc/14/69/10/500146910.db2.gz FVZNIKGPOAYEKY-YVWKXTFCSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094193 500151918 /nfs/dbraw/zinc/15/19/18/500151918.db2.gz GIMJCMJJLMTCAF-FHWLQOOXSA-N 1 3 370.541 3.280 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000417705721 500153106 /nfs/dbraw/zinc/15/31/06/500153106.db2.gz NUCXKCVWPSYNSJ-KRWDZBQOSA-N 1 3 360.546 3.147 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416948102 500164396 /nfs/dbraw/zinc/16/43/96/500164396.db2.gz YTKAVKVFFQRJKU-NRFANRHFSA-N 1 3 368.525 3.259 20 0 FGADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)o2)cc1 ZINC000430128660 500197035 /nfs/dbraw/zinc/19/70/35/500197035.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 1 3 354.450 3.261 20 0 FGADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(CCN(C)C4)C3)o2)cc1 ZINC000430128660 500197037 /nfs/dbraw/zinc/19/70/37/500197037.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 1 3 354.450 3.261 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418002369 500212684 /nfs/dbraw/zinc/21/26/84/500212684.db2.gz XONXCYYZNHJNMU-HGHGUNKESA-N 1 3 372.557 3.201 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418002369 500212689 /nfs/dbraw/zinc/21/26/89/500212689.db2.gz XONXCYYZNHJNMU-HGHGUNKESA-N 1 3 372.557 3.201 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422236692 500238607 /nfs/dbraw/zinc/23/86/07/500238607.db2.gz HVIVWJUZLQVDFK-UHFFFAOYSA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000418182728 500244191 /nfs/dbraw/zinc/24/41/91/500244191.db2.gz NHFNNAAYEJTZQD-PXNSSMCTSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418188911 500245756 /nfs/dbraw/zinc/24/57/56/500245756.db2.gz UWOUUEFNIZOYGQ-FFZOFVMBSA-N 1 3 372.557 3.097 20 0 FGADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430561362 500254854 /nfs/dbraw/zinc/25/48/54/500254854.db2.gz KPCJJEBJQJKLIY-UHFFFAOYSA-N 1 3 353.510 3.199 20 0 FGADHO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)CN ZINC000430561362 500254857 /nfs/dbraw/zinc/25/48/57/500254857.db2.gz KPCJJEBJQJKLIY-UHFFFAOYSA-N 1 3 353.510 3.199 20 0 FGADHO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)CN ZINC000430561362 500254859 /nfs/dbraw/zinc/25/48/59/500254859.db2.gz KPCJJEBJQJKLIY-UHFFFAOYSA-N 1 3 353.510 3.199 20 0 FGADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609053 500261747 /nfs/dbraw/zinc/26/17/47/500261747.db2.gz GIXYIUCIFGBOMX-QGZVFWFLSA-N 1 3 353.466 3.478 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352017 500267182 /nfs/dbraw/zinc/26/71/82/500267182.db2.gz MBNMBNHGHBJAIF-YLJYHZDGSA-N 1 3 360.546 3.183 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418352017 500267183 /nfs/dbraw/zinc/26/71/83/500267183.db2.gz MBNMBNHGHBJAIF-YLJYHZDGSA-N 1 3 360.546 3.183 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000418488873 500282580 /nfs/dbraw/zinc/28/25/80/500282580.db2.gz KYIREYFDWVHAGK-DYESRHJHSA-N 1 3 366.509 3.122 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418498782 500284367 /nfs/dbraw/zinc/28/43/67/500284367.db2.gz KVDMGXROACATCK-NRFANRHFSA-N 1 3 368.525 3.213 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550149 500290633 /nfs/dbraw/zinc/29/06/33/500290633.db2.gz TUSBAQNTXQMWRW-SYYKKAFVSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422768868 500295698 /nfs/dbraw/zinc/29/56/98/500295698.db2.gz VAFDJBUEPVBEOG-FUHWJXTLSA-N 1 3 354.498 3.177 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cnccc3N)CC2)cc1 ZINC000422782881 500297146 /nfs/dbraw/zinc/29/71/46/500297146.db2.gz NPLBVCGITZWQHM-INIZCTEOSA-N 1 3 354.498 3.066 20 0 FGADHO Cc1ccc([C@H](NC2CCC([NH3+])CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422800149 500299519 /nfs/dbraw/zinc/29/95/19/500299519.db2.gz ZGSIODRZORJZPA-GRERDSQWSA-N 1 3 372.534 3.347 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422824262 500302948 /nfs/dbraw/zinc/30/29/48/500302948.db2.gz NEPZDYAUDYHBCJ-OAGGEKHMSA-N 1 3 365.905 3.188 20 0 FGADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840511 500304054 /nfs/dbraw/zinc/30/40/54/500304054.db2.gz TVVPSJYUUIVKGU-DNVJHFABSA-N 1 3 371.569 3.044 20 0 FGADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853915 500305890 /nfs/dbraw/zinc/30/58/90/500305890.db2.gz ZLJAAJVEMZXKAV-OTWHNJEPSA-N 1 3 351.604 3.248 20 0 FGADHO COc1ccccc1N1CC[C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422851985 500306153 /nfs/dbraw/zinc/30/61/53/500306153.db2.gz PXUACVKBFNFUKB-MISYRCLQSA-N 1 3 353.510 3.070 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924801 500307783 /nfs/dbraw/zinc/30/77/83/500307783.db2.gz JOBYCVKQWRLZGF-WIYYLYMNSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689070 500308758 /nfs/dbraw/zinc/30/87/58/500308758.db2.gz UPNAKMGZXIRSNP-VAMGGRTRSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879791 500309677 /nfs/dbraw/zinc/30/96/77/500309677.db2.gz MQJMNAIODBERFK-RCBQFDQVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1cccc(Br)c1 ZINC000422879791 500309681 /nfs/dbraw/zinc/30/96/81/500309681.db2.gz MQJMNAIODBERFK-RCBQFDQVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422879790 500309780 /nfs/dbraw/zinc/30/97/80/500309780.db2.gz MQJMNAIODBERFK-MAZHCROVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1cccc(Br)c1 ZINC000422879790 500309782 /nfs/dbraw/zinc/30/97/82/500309782.db2.gz MQJMNAIODBERFK-MAZHCROVSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939725 500310494 /nfs/dbraw/zinc/31/04/94/500310494.db2.gz MHOYNKNCHJNVLE-IKGGRYGDSA-N 1 3 357.542 3.190 20 0 FGADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891658 500311697 /nfs/dbraw/zinc/31/16/97/500311697.db2.gz LGIHPAHGCFCZDJ-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422896990 500312781 /nfs/dbraw/zinc/31/27/81/500312781.db2.gz ZAYUPSOVLOQBNV-ZIAGYGMSSA-N 1 3 354.336 3.129 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898230 500313022 /nfs/dbraw/zinc/31/30/22/500313022.db2.gz DSWBKWMJTKVGBC-OCVGTWLNSA-N 1 3 373.324 3.243 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418733429 500314504 /nfs/dbraw/zinc/31/45/04/500314504.db2.gz KXVFFKUYYSFCKG-AYWYSENESA-N 1 3 372.557 3.198 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909316 500315308 /nfs/dbraw/zinc/31/53/08/500315308.db2.gz FPNQMLKJAGLWNO-JKSUJKDBSA-N 1 3 372.513 3.028 20 0 FGADHO CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422920001 500316944 /nfs/dbraw/zinc/31/69/44/500316944.db2.gz LLTZBCUDAYFCJD-KRWDZBQOSA-N 1 3 353.514 3.164 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922040 500317196 /nfs/dbraw/zinc/31/71/96/500317196.db2.gz RQBWYDONALSHHE-OLZOCXBDSA-N 1 3 356.869 3.451 20 0 FGADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422929019 500318480 /nfs/dbraw/zinc/31/84/80/500318480.db2.gz NXZLDZSNDBQFKW-QHAWAJNXSA-N 1 3 362.514 3.373 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)c1 ZINC000422929019 500318482 /nfs/dbraw/zinc/31/84/82/500318482.db2.gz NXZLDZSNDBQFKW-QHAWAJNXSA-N 1 3 362.514 3.373 20 0 FGADHO [NH3+]CC1CCC(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000422930972 500319144 /nfs/dbraw/zinc/31/91/44/500319144.db2.gz AIBNHSYGGYESGY-UHFFFAOYSA-N 1 3 361.799 3.009 20 0 FGADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431015203 500323246 /nfs/dbraw/zinc/32/32/46/500323246.db2.gz SDTDWQWGNINXHJ-KRWDZBQOSA-N 1 3 351.494 3.093 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)N1Cc2ccccc2C1 ZINC000422956777 500323874 /nfs/dbraw/zinc/32/38/74/500323874.db2.gz LXMHHQSWXBJAOD-PWRODBHTSA-N 1 3 355.526 3.209 20 0 FGADHO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422962038 500324677 /nfs/dbraw/zinc/32/46/77/500324677.db2.gz BSQHRDVANNHSBJ-SVMVAKDDSA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422962038 500324679 /nfs/dbraw/zinc/32/46/79/500324679.db2.gz BSQHRDVANNHSBJ-SVMVAKDDSA-N 1 3 352.526 3.155 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981871 500326626 /nfs/dbraw/zinc/32/66/26/500326626.db2.gz PLMRZIFOVCTOQC-MBSDFSHPSA-N 1 3 367.537 3.261 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1C(F)(F)F ZINC000422988334 500327771 /nfs/dbraw/zinc/32/77/71/500327771.db2.gz ISSCKTPWAROFEB-OYSPMZIOSA-N 1 3 370.459 3.367 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996415 500328350 /nfs/dbraw/zinc/32/83/50/500328350.db2.gz LXQLNDYHDFNHLI-HEHGZKQESA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1ccccc1Br ZINC000422996415 500328351 /nfs/dbraw/zinc/32/83/51/500328351.db2.gz LXQLNDYHDFNHLI-HEHGZKQESA-N 1 3 355.320 3.069 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cc2OCC)CC[NH2+]CC1 ZINC000423007635 500330432 /nfs/dbraw/zinc/33/04/32/500330432.db2.gz YCGMOPFRFMGEFR-AWEZNQCLSA-N 1 3 368.905 3.150 20 0 FGADHO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)cc2)cc1 ZINC000423015088 500330843 /nfs/dbraw/zinc/33/08/43/500330843.db2.gz QKCFILFBAOJGQJ-KNXBSLHKSA-N 1 3 370.493 3.372 20 0 FGADHO COc1ccc(Oc2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000423015088 500330846 /nfs/dbraw/zinc/33/08/46/500330846.db2.gz QKCFILFBAOJGQJ-KNXBSLHKSA-N 1 3 370.493 3.372 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCC[C@H]3CN)nc12 ZINC000423035432 500333160 /nfs/dbraw/zinc/33/31/60/500333160.db2.gz JKIFVSLJRVDURN-XJKSGUPXSA-N 1 3 365.319 3.055 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000423046198 500335040 /nfs/dbraw/zinc/33/50/40/500335040.db2.gz FCKGVMQFDRYVNZ-OFAXGOBFSA-N 1 3 352.522 3.430 20 0 FGADHO CC1(C)[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423053645 500336070 /nfs/dbraw/zinc/33/60/70/500336070.db2.gz SDTAEUNGBGMTJJ-ONUIULTDSA-N 1 3 358.526 3.117 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423075632 500339182 /nfs/dbraw/zinc/33/91/82/500339182.db2.gz PABBEHCCBQYHCZ-DOIPELPJSA-N 1 3 359.583 3.114 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423078485 500339330 /nfs/dbraw/zinc/33/93/30/500339330.db2.gz OPDZYFZSYJVQAJ-PBHICJAKSA-N 1 3 367.415 3.417 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079595 500339837 /nfs/dbraw/zinc/33/98/37/500339837.db2.gz QYWFRQIFRPHXOD-LNKGRISISA-N 1 3 352.469 3.016 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCN1 ZINC000423088227 500340403 /nfs/dbraw/zinc/34/04/03/500340403.db2.gz PNJLRGIHNRJWFG-LXZKKBNFSA-N 1 3 352.320 3.148 20 0 FGADHO CN(C)C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103280 500342590 /nfs/dbraw/zinc/34/25/90/500342590.db2.gz GFKIXWHBBKLYJG-JAXLGGSGSA-N 1 3 369.484 3.274 20 0 FGADHO Cc1cccc2c1OC[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131650 500346586 /nfs/dbraw/zinc/34/65/86/500346586.db2.gz BGTHVUWXBUGYTF-LZNRXBQRSA-N 1 3 350.462 3.144 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCNCc2cccnc2)CC1 ZINC000423183963 500352650 /nfs/dbraw/zinc/35/26/50/500352650.db2.gz HAYILGFTISHPKS-FQEVSTJZSA-N 1 3 366.553 3.247 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2ccccc2c1 ZINC000423372186 500368122 /nfs/dbraw/zinc/36/81/22/500368122.db2.gz AWZOMQFEGOCDSP-RDTXWAMCSA-N 1 3 351.416 3.327 20 0 FGADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423371065 500368493 /nfs/dbraw/zinc/36/84/93/500368493.db2.gz AGFVZXIGHUNLIO-ZYHUDNBSSA-N 1 3 355.857 3.278 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000423404992 500371196 /nfs/dbraw/zinc/37/11/96/500371196.db2.gz YOWWNYQBOZVJFZ-MISYRCLQSA-N 1 3 357.542 3.276 20 0 FGADHO COCC1(CN[C@@H](C)c2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000423409579 500371636 /nfs/dbraw/zinc/37/16/36/500371636.db2.gz QMTIXVCDOZRRLY-LBPRGKRZSA-N 1 3 359.283 3.255 20 0 FGADHO CCc1ccccc1[C@H](N)CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423513936 500381247 /nfs/dbraw/zinc/38/12/47/500381247.db2.gz VVVWNKZQKXTJBD-BHIFYINESA-N 1 3 353.510 3.340 20 0 FGADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000423775038 500401003 /nfs/dbraw/zinc/40/10/03/500401003.db2.gz OKXIRNYWGYKYQR-UWWQBHOKSA-N 1 3 351.922 3.085 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841897 500410514 /nfs/dbraw/zinc/41/05/14/500410514.db2.gz GKTYLVZRKLNNDP-OXQOHEQNSA-N 1 3 358.530 3.021 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697108 500421658 /nfs/dbraw/zinc/42/16/58/500421658.db2.gz MFFGWABRSQLTBN-SJLPKXTDSA-N 1 3 361.555 3.017 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324624 500441938 /nfs/dbraw/zinc/44/19/38/500441938.db2.gz HLAUOAOGWDZMQS-BRSBDYLESA-N 1 3 361.555 3.122 20 0 FGADHO O=C([C@@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334334 500443451 /nfs/dbraw/zinc/44/34/51/500443451.db2.gz GFVDKQUNGKQYOD-NHCUHLMSSA-N 1 3 355.526 3.204 20 0 FGADHO O=C([C@@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000420334332 500443584 /nfs/dbraw/zinc/44/35/84/500443584.db2.gz GFVDKQUNGKQYOD-LEWJYISDSA-N 1 3 355.526 3.204 20 0 FGADHO [NH3+]C[C@H](NCCC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000420368312 500449401 /nfs/dbraw/zinc/44/94/01/500449401.db2.gz NNOIRFWEPBEKBN-INIZCTEOSA-N 1 3 368.319 3.275 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379917 500451696 /nfs/dbraw/zinc/45/16/96/500451696.db2.gz BOKVQWIGHCLFSO-CEWLAPEOSA-N 1 3 355.526 3.034 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000420386075 500452861 /nfs/dbraw/zinc/45/28/61/500452861.db2.gz UPIYPUHWQYYRLD-FGZHOGPDSA-N 1 3 354.494 3.437 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc4ccccc4c3)CC2)C1 ZINC000420388033 500453269 /nfs/dbraw/zinc/45/32/69/500453269.db2.gz KRBQPLCCAGGOFW-IRLDBZIGSA-N 1 3 354.494 3.437 20 0 FGADHO COc1ccc([C@@H](CN)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421310 500458197 /nfs/dbraw/zinc/45/81/97/500458197.db2.gz YQPHKLVTTJYFEW-APWZRJJASA-N 1 3 350.466 3.274 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN[C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421310 500458199 /nfs/dbraw/zinc/45/81/99/500458199.db2.gz YQPHKLVTTJYFEW-APWZRJJASA-N 1 3 350.466 3.274 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288087 500481524 /nfs/dbraw/zinc/48/15/24/500481524.db2.gz KCTRYLXNUUNCGL-QZTJIDSGSA-N 1 3 365.521 3.481 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288631 500481592 /nfs/dbraw/zinc/48/15/92/500481592.db2.gz KUTHLVIMBUGDRL-YJBOKZPZSA-N 1 3 363.571 3.416 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295861 500482291 /nfs/dbraw/zinc/48/22/91/500482291.db2.gz RLJSHSCQSBWAFG-MSOLQXFVSA-N 1 3 369.553 3.207 20 0 FGADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000424379888 500494511 /nfs/dbraw/zinc/49/45/11/500494511.db2.gz PKRZVMHMNSYMSU-QHAWAJNXSA-N 1 3 357.542 3.026 20 0 FGADHO CC[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)N1CCc2ccccc2C1 ZINC000424434268 500504583 /nfs/dbraw/zinc/50/45/83/500504583.db2.gz GEHORBLLUGJSGR-OAQYLSRUSA-N 1 3 366.509 3.412 20 0 FGADHO Cc1cc(CN)cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000424441280 500505891 /nfs/dbraw/zinc/50/58/91/500505891.db2.gz WPKIWRDKSRVRMH-SFHVURJKSA-N 1 3 358.530 3.430 20 0 FGADHO CC[C@@H](Cc1ccccc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000424628509 500530859 /nfs/dbraw/zinc/53/08/59/500530859.db2.gz MRIKMIFYFWXJNN-IBGZPJMESA-N 1 3 371.569 3.239 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC[C@H](CC[NH3+])C3)c2C)cc1 ZINC000442925693 500648040 /nfs/dbraw/zinc/64/80/40/500648040.db2.gz WENJHRRQSQOCAE-GOSISDBHSA-N 1 3 356.514 3.118 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000433302217 500666645 /nfs/dbraw/zinc/66/66/45/500666645.db2.gz HWVRXQURQMIIRW-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000433302217 500666649 /nfs/dbraw/zinc/66/66/49/500666649.db2.gz HWVRXQURQMIIRW-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443203548 500695690 /nfs/dbraw/zinc/69/56/90/500695690.db2.gz MDKMYBDCPHBOOI-QLFBSQMISA-N 1 3 359.474 3.006 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170452 500749792 /nfs/dbraw/zinc/74/97/92/500749792.db2.gz XVEBOVNVMKCYQF-MSOLQXFVSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170452 500749794 /nfs/dbraw/zinc/74/97/94/500749794.db2.gz XVEBOVNVMKCYQF-MSOLQXFVSA-N 1 3 358.448 3.415 20 0 FGADHO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265573 500826323 /nfs/dbraw/zinc/82/63/23/500826323.db2.gz AYEBPTJGPCZNRD-IFMALSPDSA-N 1 3 367.537 3.033 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000434905071 500910595 /nfs/dbraw/zinc/91/05/95/500910595.db2.gz IBADZJZOISDGAH-HSZRJFAPSA-N 1 3 371.569 3.320 20 0 FGADHO CC(C)CN1CCO[C@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058823 500913839 /nfs/dbraw/zinc/91/38/39/500913839.db2.gz MHFGMWSDTDRNMP-NFBKMPQASA-N 1 3 373.585 3.028 20 0 FGADHO CC(C)CN1CCO[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058823 500913841 /nfs/dbraw/zinc/91/38/41/500913841.db2.gz MHFGMWSDTDRNMP-NFBKMPQASA-N 1 3 373.585 3.028 20 0 FGADHO Ic1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000449093639 500923425 /nfs/dbraw/zinc/92/34/25/500923425.db2.gz WORJXOOKIDDBMW-UHFFFAOYSA-N 1 3 370.278 3.255 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977749 500928794 /nfs/dbraw/zinc/92/87/94/500928794.db2.gz UFFNAEPMIKOUCZ-GOSISDBHSA-N 1 3 371.529 3.356 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977749 500928796 /nfs/dbraw/zinc/92/87/96/500928796.db2.gz UFFNAEPMIKOUCZ-GOSISDBHSA-N 1 3 371.529 3.356 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000435375666 500963093 /nfs/dbraw/zinc/96/30/93/500963093.db2.gz NGJNXTDOFDILOL-MRXNPFEDSA-N 1 3 355.482 3.228 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4CCC(C[NH3+])CC4)cc3)nc12 ZINC000435399618 500968171 /nfs/dbraw/zinc/96/81/71/500968171.db2.gz YPBFUERNCFZMBC-UHFFFAOYSA-N 1 3 364.493 3.392 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562899 500992748 /nfs/dbraw/zinc/99/27/48/500992748.db2.gz JTYXHTORWCAZIB-SOLBZPMBSA-N 1 3 361.555 3.092 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538761 501020757 /nfs/dbraw/zinc/02/07/57/501020757.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538761 501020758 /nfs/dbraw/zinc/02/07/58/501020758.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 1 3 357.542 3.231 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560585 501033873 /nfs/dbraw/zinc/03/38/73/501033873.db2.gz NACCYGJWECINEF-OHRKKDJYSA-N 1 3 365.905 3.281 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560585 501033874 /nfs/dbraw/zinc/03/38/74/501033874.db2.gz NACCYGJWECINEF-OHRKKDJYSA-N 1 3 365.905 3.281 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1(C)C ZINC000441379183 501130606 /nfs/dbraw/zinc/13/06/06/501130606.db2.gz OSDMYZPUEIZXQZ-UHFFFAOYSA-N 1 3 361.864 3.057 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1)CC1CC1 ZINC000446615489 501142251 /nfs/dbraw/zinc/14/22/51/501142251.db2.gz OGRIDLZKWBASCF-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1)CC1CC1 ZINC000446615489 501142254 /nfs/dbraw/zinc/14/22/54/501142254.db2.gz OGRIDLZKWBASCF-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000446750350 501161012 /nfs/dbraw/zinc/16/10/12/501161012.db2.gz GINSWFNGDNSHLI-RXVVDRJESA-N 1 3 371.529 3.272 20 0 FGADHO CCOC(=O)c1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000450643786 501173593 /nfs/dbraw/zinc/17/35/93/501173593.db2.gz RGDPJDCTQFDXCJ-UHFFFAOYSA-N 1 3 368.481 3.002 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000446880829 501176873 /nfs/dbraw/zinc/17/68/73/501176873.db2.gz JCIUKOKANPLSJT-GHTZIAJQSA-N 1 3 371.529 3.272 20 0 FGADHO O=C(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)N1CCCCC1 ZINC000453062424 501261285 /nfs/dbraw/zinc/26/12/85/501261285.db2.gz MMKQGDUAMWKQBS-YPAWHYETSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)N1CCCCC1 ZINC000453062424 501261287 /nfs/dbraw/zinc/26/12/87/501261287.db2.gz MMKQGDUAMWKQBS-YPAWHYETSA-N 1 3 369.553 3.422 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457648832 501277264 /nfs/dbraw/zinc/27/72/64/501277264.db2.gz KUCXWATUENZWMS-SFHVURJKSA-N 1 3 372.557 3.153 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457648832 501277265 /nfs/dbraw/zinc/27/72/65/501277265.db2.gz KUCXWATUENZWMS-SFHVURJKSA-N 1 3 372.557 3.153 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148068 501279358 /nfs/dbraw/zinc/27/93/58/501279358.db2.gz QRPIFLDPVXDVHJ-PCCBWWKXSA-N 1 3 365.525 3.188 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148068 501279361 /nfs/dbraw/zinc/27/93/61/501279361.db2.gz QRPIFLDPVXDVHJ-PCCBWWKXSA-N 1 3 365.525 3.188 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000457800928 501311480 /nfs/dbraw/zinc/31/14/80/501311480.db2.gz XXEGZOGKPHUUPI-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000457800928 501311484 /nfs/dbraw/zinc/31/14/84/501311484.db2.gz XXEGZOGKPHUUPI-ZWKOTPCHSA-N 1 3 364.578 3.155 20 0 FGADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453316729 501313980 /nfs/dbraw/zinc/31/39/80/501313980.db2.gz JXRDZWHOIQOYDD-PFDCGNQRSA-N 1 3 372.553 3.318 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328122 /nfs/dbraw/zinc/32/81/22/501328122.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328124 /nfs/dbraw/zinc/32/81/24/501328124.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328127 /nfs/dbraw/zinc/32/81/27/501328127.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328129 /nfs/dbraw/zinc/32/81/29/501328129.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 1 3 360.542 3.400 20 0 FGADHO C[C@@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000455627121 501350410 /nfs/dbraw/zinc/35/04/10/501350410.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000455627121 501350412 /nfs/dbraw/zinc/35/04/12/501350412.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000611675183 506250413 /nfs/dbraw/zinc/25/04/13/506250413.db2.gz QUXOAKUJYJFQTL-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1F ZINC000458292757 501413878 /nfs/dbraw/zinc/41/38/78/501413878.db2.gz OMHGLXMKCPVXNK-UHFFFAOYSA-N 1 3 365.493 3.217 20 0 FGADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N1CCC(C)CC1 ZINC000455947592 501423661 /nfs/dbraw/zinc/42/36/61/501423661.db2.gz XMSPPZVUYDTLPM-JXFKEZNVSA-N 1 3 358.530 3.477 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000452160163 501448376 /nfs/dbraw/zinc/44/83/76/501448376.db2.gz BWYPDTBKHUIVTR-HKUYNNGSSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000452160163 501448377 /nfs/dbraw/zinc/44/83/77/501448377.db2.gz BWYPDTBKHUIVTR-HKUYNNGSSA-N 1 3 363.571 3.392 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000454464618 501551637 /nfs/dbraw/zinc/55/16/37/501551637.db2.gz VZHWVDOAIFQZED-FQEVSTJZSA-N 1 3 360.546 3.163 20 0 FGADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000588291737 506263014 /nfs/dbraw/zinc/26/30/14/506263014.db2.gz UEHDPNDLVJHUCG-HXUWFJFHSA-N 1 3 360.546 3.161 20 0 FGADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(C)C ZINC000588291737 506263016 /nfs/dbraw/zinc/26/30/16/506263016.db2.gz UEHDPNDLVJHUCG-HXUWFJFHSA-N 1 3 360.546 3.161 20 0 FGADHO CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000459453389 501656474 /nfs/dbraw/zinc/65/64/74/501656474.db2.gz AJSXJDMXRDKGPU-UHFFFAOYSA-N 1 3 371.319 3.375 20 0 FGADHO c1cc(OCC[NH+]2CCCC2)ccc1CCNCc1cnc(C2CC2)nc1 ZINC000459454771 501656493 /nfs/dbraw/zinc/65/64/93/501656493.db2.gz BTMLXMKHEPEBIB-UHFFFAOYSA-N 1 3 366.509 3.161 20 0 FGADHO O[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459518443 501668201 /nfs/dbraw/zinc/66/82/01/501668201.db2.gz RIUILFXHEIFIQS-WMLDXEAASA-N 1 3 357.420 3.124 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474294752 501779470 /nfs/dbraw/zinc/77/94/70/501779470.db2.gz AFGPODWEHIPVBK-QGZVFWFLSA-N 1 3 365.521 3.234 20 0 FGADHO CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000481498271 501793057 /nfs/dbraw/zinc/79/30/57/501793057.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 1 3 371.569 3.450 20 0 FGADHO CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000481498271 501793058 /nfs/dbraw/zinc/79/30/58/501793058.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 1 3 371.569 3.450 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000460508490 501843755 /nfs/dbraw/zinc/84/37/55/501843755.db2.gz FKSJTHVHWYUDOU-HXUWFJFHSA-N 1 3 366.594 3.262 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000460508490 501843761 /nfs/dbraw/zinc/84/37/61/501843761.db2.gz FKSJTHVHWYUDOU-HXUWFJFHSA-N 1 3 366.594 3.262 20 0 FGADHO CCOC(=O)c1coc(CNCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000474631123 501901220 /nfs/dbraw/zinc/90/12/20/501901220.db2.gz MNDPUZMHUBLAKF-UHFFFAOYSA-N 1 3 356.466 3.458 20 0 FGADHO C[C@@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000468007417 501927956 /nfs/dbraw/zinc/92/79/56/501927956.db2.gz XMKFVGLAAPZZTC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468007417 501927957 /nfs/dbraw/zinc/92/79/57/501927957.db2.gz XMKFVGLAAPZZTC-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CC(C)C[C@@H](CNC(=O)NC1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468024331 501933209 /nfs/dbraw/zinc/93/32/09/501933209.db2.gz KQNMIZNSGWDBLO-XLIONFOSSA-N 1 3 360.546 3.145 20 0 FGADHO CC(C)C[C@@H](CNC(=O)NC1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024330 501933516 /nfs/dbraw/zinc/93/35/16/501933516.db2.gz KQNMIZNSGWDBLO-PXNSSMCTSA-N 1 3 360.546 3.145 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000478412570 501974418 /nfs/dbraw/zinc/97/44/18/501974418.db2.gz DHSNPPKJQDKBGP-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482116035 501979686 /nfs/dbraw/zinc/97/96/86/501979686.db2.gz UDPWCWDWSPBRFN-PGRDOPGGSA-N 1 3 350.510 3.117 20 0 FGADHO c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482126383 501982850 /nfs/dbraw/zinc/98/28/50/501982850.db2.gz XOOXJBBUVODTKK-QFIPXVFZSA-N 1 3 350.510 3.261 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)CC1 ZINC000474981399 502010625 /nfs/dbraw/zinc/01/06/25/502010625.db2.gz SSRZNVUIOOWOHV-UHFFFAOYSA-N 1 3 372.557 3.279 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000461181174 502029862 /nfs/dbraw/zinc/02/98/62/502029862.db2.gz OLMDWKRMDUXETN-UHFFFAOYSA-N 1 3 359.558 3.479 20 0 FGADHO CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475100679 502058927 /nfs/dbraw/zinc/05/89/27/502058927.db2.gz KACXEBGRGSCLHO-PMACEKPBSA-N 1 3 374.573 3.269 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101414 /nfs/dbraw/zinc/10/14/14/502101414.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101418 /nfs/dbraw/zinc/10/14/18/502101418.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 1 3 357.542 3.150 20 0 FGADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000482544774 502106432 /nfs/dbraw/zinc/10/64/32/502106432.db2.gz VGWCFBCFIUCMNB-KRWDZBQOSA-N 1 3 370.493 3.292 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](OC)C(F)(F)F)CC1 ZINC000468604094 502121332 /nfs/dbraw/zinc/12/13/32/502121332.db2.gz XCJYDRDCKHWCSV-SFHVURJKSA-N 1 3 373.463 3.276 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479049548 502147162 /nfs/dbraw/zinc/14/71/62/502147162.db2.gz GWRFKBBQBYOQJH-PMACEKPBSA-N 1 3 357.473 3.067 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155991 /nfs/dbraw/zinc/15/59/91/502155991.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155995 /nfs/dbraw/zinc/15/59/95/502155995.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 1 3 372.557 3.099 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000479221167 502196569 /nfs/dbraw/zinc/19/65/69/502196569.db2.gz IJSHEXVWLLHYGK-HXUWFJFHSA-N 1 3 357.473 3.026 20 0 FGADHO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000472150683 502248730 /nfs/dbraw/zinc/24/87/30/502248730.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 1 3 360.542 3.149 20 0 FGADHO CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000472150683 502248742 /nfs/dbraw/zinc/24/87/42/502248742.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 1 3 360.542 3.149 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000475731238 502268407 /nfs/dbraw/zinc/26/84/07/502268407.db2.gz DAXFCJYHWYKNQF-RLLQIKCJSA-N 1 3 371.569 3.442 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462007756 502272153 /nfs/dbraw/zinc/27/21/53/502272153.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462007756 502272158 /nfs/dbraw/zinc/27/21/58/502272158.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000465596911 502319971 /nfs/dbraw/zinc/31/99/71/502319971.db2.gz LLODQQWWLXUMFS-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465758090 502374002 /nfs/dbraw/zinc/37/40/02/502374002.db2.gz PDUIBSBLLFKXDL-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465758090 502374007 /nfs/dbraw/zinc/37/40/07/502374007.db2.gz PDUIBSBLLFKXDL-HMXCVIKNSA-N 1 3 372.557 3.338 20 0 FGADHO CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000469321237 502374718 /nfs/dbraw/zinc/37/47/18/502374718.db2.gz HDHZWBJAEWDUNE-XMTFNYHQSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000479807771 502383694 /nfs/dbraw/zinc/38/36/94/502383694.db2.gz BFPHPXWAAIQUJD-FPOVZHCZSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCCCN3C)CC2)C[C@H](C)O1 ZINC000472566584 502386162 /nfs/dbraw/zinc/38/61/62/502386162.db2.gz CYYUSYMJIPJJJV-SVFBPWRDSA-N 1 3 351.579 3.072 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465846397 502401656 /nfs/dbraw/zinc/40/16/56/502401656.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465846397 502401658 /nfs/dbraw/zinc/40/16/58/502401658.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000469434692 502416000 /nfs/dbraw/zinc/41/60/00/502416000.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000469434692 502416007 /nfs/dbraw/zinc/41/60/07/502416007.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 1 3 372.557 3.069 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953364 502439126 /nfs/dbraw/zinc/43/91/26/502439126.db2.gz ADUGBGYKXUIIEX-FPOVZHCZSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953364 502439132 /nfs/dbraw/zinc/43/91/32/502439132.db2.gz ADUGBGYKXUIIEX-FPOVZHCZSA-N 1 3 374.573 3.156 20 0 FGADHO CN(C)C1(CNC2CC[NH+](C3CCCCC3)CC2)Cc2ccccc2C1 ZINC000483712546 502472762 /nfs/dbraw/zinc/47/27/62/502472762.db2.gz LIQYPWAQSHELQO-UHFFFAOYSA-N 1 3 355.570 3.472 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCC(=O)Nc1cccnc1 ZINC000483721886 502474704 /nfs/dbraw/zinc/47/47/04/502474704.db2.gz GXTZOOUAHKMAFD-ROUUACIJSA-N 1 3 366.509 3.156 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C[C@H]1C ZINC000483767199 502487191 /nfs/dbraw/zinc/48/71/91/502487191.db2.gz GAYRENQBBYCMKW-YZGWKJHDSA-N 1 3 360.546 3.112 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C[C@H]1C ZINC000483767199 502487195 /nfs/dbraw/zinc/48/71/95/502487195.db2.gz GAYRENQBBYCMKW-YZGWKJHDSA-N 1 3 360.546 3.112 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000487893869 502559009 /nfs/dbraw/zinc/55/90/09/502559009.db2.gz ILHBWKATKOBIOF-JOCHJYFZSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832656 502561570 /nfs/dbraw/zinc/56/15/70/502561570.db2.gz USCSYCVINAPZSP-HDAAZOAOSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832656 502561574 /nfs/dbraw/zinc/56/15/74/502561574.db2.gz USCSYCVINAPZSP-HDAAZOAOSA-N 1 3 357.542 3.371 20 0 FGADHO CCCOc1ccc([C@@H](C)NCC2(O)CC[NH+](C)CC2)c(OCCC)c1 ZINC000484138398 502580409 /nfs/dbraw/zinc/58/04/09/502580409.db2.gz DLMDXPAUSSNVMK-QGZVFWFLSA-N 1 3 364.530 3.372 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965685 502582331 /nfs/dbraw/zinc/58/23/31/502582331.db2.gz WWBQYHOVNDEQSF-JCGIZDLHSA-N 1 3 351.922 3.037 20 0 FGADHO CCCN(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965685 502582333 /nfs/dbraw/zinc/58/23/33/502582333.db2.gz WWBQYHOVNDEQSF-JCGIZDLHSA-N 1 3 351.922 3.037 20 0 FGADHO COCCN1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000462824991 502588570 /nfs/dbraw/zinc/58/85/70/502588570.db2.gz FMBNOSUDZPRUTG-AWEZNQCLSA-N 1 3 365.424 3.302 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N(CC)CC ZINC000469902333 502591098 /nfs/dbraw/zinc/59/10/98/502591098.db2.gz QBVSDYDWYZENFD-INIZCTEOSA-N 1 3 355.910 3.339 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596896 /nfs/dbraw/zinc/59/68/96/502596896.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596901 /nfs/dbraw/zinc/59/69/01/502596901.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 1 3 372.557 3.164 20 0 FGADHO CC[C@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[NH+](CC)CC ZINC000473523894 502622209 /nfs/dbraw/zinc/62/22/09/502622209.db2.gz UDHKPNRAZOZRRU-UYSNPLJNSA-N 1 3 363.468 3.028 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000470014054 502629959 /nfs/dbraw/zinc/62/99/59/502629959.db2.gz UMSPJJQRMQJEED-UGKGYDQZSA-N 1 3 371.569 3.272 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374615 502634340 /nfs/dbraw/zinc/63/43/40/502634340.db2.gz REWGAKFWLLUJOT-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C2CCCCC2)N(C)C)[C@H](C)C1 ZINC000480722884 502653190 /nfs/dbraw/zinc/65/31/90/502653190.db2.gz QNTGHSFYMGXOOO-HLAWJBBLSA-N 1 3 353.595 3.224 20 0 FGADHO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480903344 502701187 /nfs/dbraw/zinc/70/11/87/502701187.db2.gz DFRMZIZSRKFLHZ-JOCHJYFZSA-N 1 3 365.521 3.220 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000477192579 502703857 /nfs/dbraw/zinc/70/38/57/502703857.db2.gz KJUGEVBFXZMGJP-NJDAHSKKSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000480971049 502716317 /nfs/dbraw/zinc/71/63/17/502716317.db2.gz ZVQABXMMNXYFCB-QZTJIDSGSA-N 1 3 371.569 3.405 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487329 502729788 /nfs/dbraw/zinc/72/97/88/502729788.db2.gz ZIWRNIRDTCLWPM-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487329 502729792 /nfs/dbraw/zinc/72/97/92/502729792.db2.gz ZIWRNIRDTCLWPM-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740049 /nfs/dbraw/zinc/74/00/49/502740049.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740054 /nfs/dbraw/zinc/74/00/54/502740054.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000481177079 502774051 /nfs/dbraw/zinc/77/40/51/502774051.db2.gz YRSFQYBWPLBOBS-WIYYLYMNSA-N 1 3 363.505 3.076 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778491 /nfs/dbraw/zinc/77/84/91/502778491.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 1 3 351.922 3.151 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778493 /nfs/dbraw/zinc/77/84/93/502778493.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 1 3 351.922 3.151 20 0 FGADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000474009941 502778502 /nfs/dbraw/zinc/77/85/02/502778502.db2.gz MPFPNZHFLJNAFV-GGPKGHCWSA-N 1 3 360.546 3.194 20 0 FGADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000588774124 506334525 /nfs/dbraw/zinc/33/45/25/506334525.db2.gz PVZPDXJLOHCIKE-GOSISDBHSA-N 1 3 361.505 3.028 20 0 FGADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152632 502888890 /nfs/dbraw/zinc/88/88/90/502888890.db2.gz YHJHNQIIMZXVQX-SLFFLAALSA-N 1 3 364.578 3.014 20 0 FGADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006844 502910709 /nfs/dbraw/zinc/91/07/09/502910709.db2.gz ITAKBEJFKPKUDI-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006844 502910712 /nfs/dbraw/zinc/91/07/12/502910712.db2.gz ITAKBEJFKPKUDI-UXHICEINSA-N 1 3 353.595 3.318 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568562 502937239 /nfs/dbraw/zinc/93/72/39/502937239.db2.gz MITDXJXSMNUFNB-WNRNVDISSA-N 1 3 364.534 3.223 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568562 502937245 /nfs/dbraw/zinc/93/72/45/502937245.db2.gz MITDXJXSMNUFNB-WNRNVDISSA-N 1 3 364.534 3.223 20 0 FGADHO C[C@@H]1C[C@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493905 502952102 /nfs/dbraw/zinc/95/21/02/502952102.db2.gz DLPZZRGLMZTVIQ-MJGOQNOKSA-N 1 3 368.525 3.107 20 0 FGADHO C[C@@H]1C[C@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493905 502952107 /nfs/dbraw/zinc/95/21/07/502952107.db2.gz DLPZZRGLMZTVIQ-MJGOQNOKSA-N 1 3 368.525 3.107 20 0 FGADHO CN1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417606 502954060 /nfs/dbraw/zinc/95/40/60/502954060.db2.gz ODNLVOSBJUMSET-FGZHOGPDSA-N 1 3 363.505 3.110 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[N@@H+](C4CCCC4)CC3)CC2)cc1 ZINC000509697576 502969711 /nfs/dbraw/zinc/96/97/11/502969711.db2.gz KRFVIZDXCCPEDD-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[N@H+](C4CCCC4)CC3)CC2)cc1 ZINC000509697576 502969715 /nfs/dbraw/zinc/96/97/15/502969715.db2.gz KRFVIZDXCCPEDD-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000509945852 503016283 /nfs/dbraw/zinc/01/62/83/503016283.db2.gz VCLXSMUHTJMXKE-HXUWFJFHSA-N 1 3 354.498 3.062 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535669 503032328 /nfs/dbraw/zinc/03/23/28/503032328.db2.gz XARAPVSAAMPLCW-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535669 503032332 /nfs/dbraw/zinc/03/23/32/503032332.db2.gz XARAPVSAAMPLCW-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000489785836 503034426 /nfs/dbraw/zinc/03/44/26/503034426.db2.gz ADFZVMHSGYEKJS-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000489793882 503036758 /nfs/dbraw/zinc/03/67/58/503036758.db2.gz CZEUWPPADNZYOU-RTWAWAEBSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(C)C ZINC000497835707 503051286 /nfs/dbraw/zinc/05/12/86/503051286.db2.gz KEEDKSPZOZTHNG-OPYAIIAOSA-N 1 3 372.557 3.302 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N(C)C ZINC000497835707 503051289 /nfs/dbraw/zinc/05/12/89/503051289.db2.gz KEEDKSPZOZTHNG-OPYAIIAOSA-N 1 3 372.557 3.302 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000501808629 503084884 /nfs/dbraw/zinc/08/48/84/503084884.db2.gz DDNNTRXXQTUORF-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000501840475 503091379 /nfs/dbraw/zinc/09/13/79/503091379.db2.gz DCQCSTUSBWTAPA-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO Cn1nccc1-c1ccccc1CNCc1ccccc1OCC[NH+](C)C ZINC000510321132 503091993 /nfs/dbraw/zinc/09/19/93/503091993.db2.gz RDCADSOSMWWNQZ-UHFFFAOYSA-N 1 3 364.493 3.317 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344554 503095892 /nfs/dbraw/zinc/09/58/92/503095892.db2.gz COARARJJRFQMCC-QUCCMNQESA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000514202306 503111211 /nfs/dbraw/zinc/11/12/11/503111211.db2.gz VOHIECDSZYSVRJ-IRXDYDNUSA-N 1 3 366.575 3.161 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000502281575 503173869 /nfs/dbraw/zinc/17/38/69/503173869.db2.gz YGDIYQWSXBZTNW-QFIPXVFZSA-N 1 3 371.569 3.263 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC(C[NH+](C)C)CC1 ZINC000506888803 503190504 /nfs/dbraw/zinc/19/05/04/503190504.db2.gz BANVBLFWKJBHDB-UHFFFAOYSA-N 1 3 360.454 3.002 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196358 /nfs/dbraw/zinc/19/63/58/503196358.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196360 /nfs/dbraw/zinc/19/63/60/503196360.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 1 3 364.578 3.014 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000507090688 503228155 /nfs/dbraw/zinc/22/81/55/503228155.db2.gz VDLTYOKUNBODFZ-VQTJNVASSA-N 1 3 360.546 3.061 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCCCN12 ZINC000510999104 503233156 /nfs/dbraw/zinc/23/31/56/503233156.db2.gz ORCXAENYSFCWGU-OQEHDIDLSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCCCN12 ZINC000510999104 503233158 /nfs/dbraw/zinc/23/31/58/503233158.db2.gz ORCXAENYSFCWGU-OQEHDIDLSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H]2CCCCN12 ZINC000510999104 503233163 /nfs/dbraw/zinc/23/31/63/503233163.db2.gz ORCXAENYSFCWGU-OQEHDIDLSA-N 1 3 367.537 3.030 20 0 FGADHO Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1 ZINC000507464384 503303074 /nfs/dbraw/zinc/30/30/74/503303074.db2.gz XJSUNZIUIIRRQA-QHAWAJNXSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507464384 503303080 /nfs/dbraw/zinc/30/30/80/503303080.db2.gz XJSUNZIUIIRRQA-QHAWAJNXSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507464384 503303084 /nfs/dbraw/zinc/30/30/84/503303084.db2.gz XJSUNZIUIIRRQA-QHAWAJNXSA-N 1 3 350.510 3.302 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000502912250 503306600 /nfs/dbraw/zinc/30/66/00/503306600.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000502912250 503306602 /nfs/dbraw/zinc/30/66/02/503306602.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311070 /nfs/dbraw/zinc/31/10/70/503311070.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311071 /nfs/dbraw/zinc/31/10/71/503311071.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CN(C)C ZINC000491589172 503322560 /nfs/dbraw/zinc/32/25/60/503322560.db2.gz OLGWBRPBVOHVGY-GOSISDBHSA-N 1 3 363.509 3.281 20 0 FGADHO COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000492510958 503372211 /nfs/dbraw/zinc/37/22/11/503372211.db2.gz AHVKGALECDPWCJ-UWJYYQICSA-N 1 3 352.478 3.473 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000493846823 503449919 /nfs/dbraw/zinc/44/99/19/503449919.db2.gz QDCIQWFJDGCZDO-HXUWFJFHSA-N 1 3 354.494 3.153 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000508197726 503451069 /nfs/dbraw/zinc/45/10/69/503451069.db2.gz HUQSBQDBMOXJAV-UHFFFAOYSA-N 1 3 357.542 3.233 20 0 FGADHO Cc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)sc1Br ZINC000512145741 503468504 /nfs/dbraw/zinc/46/85/04/503468504.db2.gz NHRJOHHQZFZGKS-ZDUSSCGKSA-N 1 3 374.392 3.496 20 0 FGADHO C[C@H](NCc1ccc2cnn(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000516522208 503526842 /nfs/dbraw/zinc/52/68/42/503526842.db2.gz GEKINZZDYJFYLA-INIZCTEOSA-N 1 3 352.482 3.365 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000504193410 503537044 /nfs/dbraw/zinc/53/70/44/503537044.db2.gz AVBWVWPEPDHSNQ-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO Cc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)sc1Br ZINC000512398655 503537253 /nfs/dbraw/zinc/53/72/53/503537253.db2.gz BWFZDJYPPJMADW-ZDUSSCGKSA-N 1 3 374.392 3.496 20 0 FGADHO C[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714574 503549392 /nfs/dbraw/zinc/54/93/92/503549392.db2.gz BVNDZOYLWNRDRP-MJGOQNOKSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H](NCCOc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714574 503549396 /nfs/dbraw/zinc/54/93/96/503549396.db2.gz BVNDZOYLWNRDRP-MJGOQNOKSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H](NCCOc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714574 503549400 /nfs/dbraw/zinc/54/94/00/503549400.db2.gz BVNDZOYLWNRDRP-MJGOQNOKSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713414 503549914 /nfs/dbraw/zinc/54/99/14/503549914.db2.gz FTJPGKQVEJWJIM-FUKQBSRTSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713414 503549917 /nfs/dbraw/zinc/54/99/17/503549917.db2.gz FTJPGKQVEJWJIM-FUKQBSRTSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505061 503553067 /nfs/dbraw/zinc/55/30/67/503553067.db2.gz JFBUONQDZYIWRO-AHEZYBDSSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505061 503553070 /nfs/dbraw/zinc/55/30/70/503553070.db2.gz JFBUONQDZYIWRO-AHEZYBDSSA-N 1 3 366.347 3.346 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613477 503595894 /nfs/dbraw/zinc/59/58/94/503595894.db2.gz RUOQMTKDVMHWNU-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613477 503595897 /nfs/dbraw/zinc/59/58/97/503595897.db2.gz RUOQMTKDVMHWNU-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613477 503595901 /nfs/dbraw/zinc/59/59/01/503595901.db2.gz RUOQMTKDVMHWNU-UEQSERJNSA-N 1 3 364.533 3.480 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)N(C)C ZINC000508926892 503602527 /nfs/dbraw/zinc/60/25/27/503602527.db2.gz WMAITRORPNEQMI-GHTZIAJQSA-N 1 3 372.557 3.256 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000527132047 503692095 /nfs/dbraw/zinc/69/20/95/503692095.db2.gz JLHHTLDVXSBTEA-UHFFFAOYSA-N 1 3 367.563 3.148 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000540159893 503692843 /nfs/dbraw/zinc/69/28/43/503692843.db2.gz ABVGNBMTTOWAIT-HKBOAZHASA-N 1 3 358.526 3.485 20 0 FGADHO COCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169607 503695588 /nfs/dbraw/zinc/69/55/88/503695588.db2.gz FLBIOZKHQSXDDX-QKLQHJQFSA-N 1 3 352.494 3.382 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299872 503716375 /nfs/dbraw/zinc/71/63/75/503716375.db2.gz FBGQNBITVBAZAK-SVFBPWRDSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000536846547 503737963 /nfs/dbraw/zinc/73/79/63/503737963.db2.gz PORUJNRALZZJIR-NJDAHSKKSA-N 1 3 358.526 3.485 20 0 FGADHO Cc1cc([C@H](NCCCC[N@@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404670 503756823 /nfs/dbraw/zinc/75/68/23/503756823.db2.gz PYYUUAJWSZDWNA-IRLDBZIGSA-N 1 3 371.500 3.445 20 0 FGADHO Cc1cc([C@H](NCCCC[N@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404670 503756825 /nfs/dbraw/zinc/75/68/25/503756825.db2.gz PYYUUAJWSZDWNA-IRLDBZIGSA-N 1 3 371.500 3.445 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537015735 503777826 /nfs/dbraw/zinc/77/78/26/503777826.db2.gz JGPUIQLQYZLLPI-RTWAWAEBSA-N 1 3 355.526 3.181 20 0 FGADHO C[N@H+](CCC(=O)NCCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852604 /nfs/dbraw/zinc/85/26/04/503852604.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 1 3 357.542 3.206 20 0 FGADHO C[N@@H+](CCC(=O)NCCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852609 /nfs/dbraw/zinc/85/26/09/503852609.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 1 3 357.542 3.206 20 0 FGADHO C[N@H+](CCC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000546722573 503852888 /nfs/dbraw/zinc/85/28/88/503852888.db2.gz MHAMGFXYJZVUNT-UHFFFAOYSA-N 1 3 357.542 3.422 20 0 FGADHO C[N@@H+](CCC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000546722573 503852895 /nfs/dbraw/zinc/85/28/95/503852895.db2.gz MHAMGFXYJZVUNT-UHFFFAOYSA-N 1 3 357.542 3.422 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccncc2Cl)CC1 ZINC000527637727 503870853 /nfs/dbraw/zinc/87/08/53/503870853.db2.gz LEEKUOVFBVXDLQ-UHFFFAOYSA-N 1 3 358.917 3.162 20 0 FGADHO CCCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248983 503893800 /nfs/dbraw/zinc/89/38/00/503893800.db2.gz RRRQIWFIPXMNCH-LJQANCHMSA-N 1 3 362.514 3.075 20 0 FGADHO Fc1cccc(N2CCCC2)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249041 503894207 /nfs/dbraw/zinc/89/42/07/503894207.db2.gz SUPFZSFSPPKWRC-GOSISDBHSA-N 1 3 361.505 3.016 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336528 503929828 /nfs/dbraw/zinc/92/98/28/503929828.db2.gz CVSFWOKMVFJKPB-PBHICJAKSA-N 1 3 368.905 3.295 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527855453 503973359 /nfs/dbraw/zinc/97/33/59/503973359.db2.gz XVHSLVQJRVZPTN-LJQANCHMSA-N 1 3 353.913 3.474 20 0 FGADHO CC1(C)CN(C2(C[NH2+]C3CCN(CC4CC4)CC3)CCCCC2)CCO1 ZINC000544035092 503981983 /nfs/dbraw/zinc/98/19/83/503981983.db2.gz XYAVUZCQIDXHDH-UHFFFAOYSA-N 1 3 363.590 3.264 20 0 FGADHO CC1(C)CN(C2(CNC3CC[NH+](CC4CC4)CC3)CCCCC2)CCO1 ZINC000544035092 503981988 /nfs/dbraw/zinc/98/19/88/503981988.db2.gz XYAVUZCQIDXHDH-UHFFFAOYSA-N 1 3 363.590 3.264 20 0 FGADHO CCN1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000541153281 504024539 /nfs/dbraw/zinc/02/45/39/504024539.db2.gz HARZTZXYTAFZOD-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCN1c1cccnn1 ZINC000530619092 504029127 /nfs/dbraw/zinc/02/91/27/504029127.db2.gz XUZSEGJJTKRUIE-HXUWFJFHSA-N 1 3 367.541 3.193 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCCN1c1cccnn1 ZINC000530619092 504029131 /nfs/dbraw/zinc/02/91/31/504029131.db2.gz XUZSEGJJTKRUIE-HXUWFJFHSA-N 1 3 367.541 3.193 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@@H](C)O1 ZINC000530633423 504034098 /nfs/dbraw/zinc/03/40/98/504034098.db2.gz PVOMHMIKTSJVKS-HZPDHXFCSA-N 1 3 356.457 3.310 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547387771 504087307 /nfs/dbraw/zinc/08/73/07/504087307.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000547387771 504087311 /nfs/dbraw/zinc/08/73/11/504087311.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547387773 504087532 /nfs/dbraw/zinc/08/75/32/504087532.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 1 3 374.573 3.173 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000547387773 504087534 /nfs/dbraw/zinc/08/75/34/504087534.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 1 3 374.573 3.173 20 0 FGADHO C[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000544406745 504122340 /nfs/dbraw/zinc/12/23/40/504122340.db2.gz ZUDAKJUMWWHTTH-FQEVSTJZSA-N 1 3 352.526 3.062 20 0 FGADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000519224238 504168816 /nfs/dbraw/zinc/16/88/16/504168816.db2.gz YHDSCGNEQYGLSM-SFHVURJKSA-N 1 3 357.542 3.014 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799265 504257993 /nfs/dbraw/zinc/25/79/93/504257993.db2.gz TYRPQQWCWVWMSW-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799265 504257998 /nfs/dbraw/zinc/25/79/98/504257998.db2.gz TYRPQQWCWVWMSW-XMSQKQJNSA-N 1 3 365.521 3.105 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCN(C)c1ccncc1 ZINC000541855637 504277804 /nfs/dbraw/zinc/27/78/04/504277804.db2.gz LULXFPYPYXAHLB-UHFFFAOYSA-N 1 3 354.498 3.018 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342377 /nfs/dbraw/zinc/34/23/77/504342377.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342378 /nfs/dbraw/zinc/34/23/78/504342378.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 1 3 360.546 3.067 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178251 504427792 /nfs/dbraw/zinc/42/77/92/504427792.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000520178251 504427798 /nfs/dbraw/zinc/42/77/98/504427798.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)c2ccccc2CC[NH3+])N2CCCC2)cc1 ZINC000520245917 504445464 /nfs/dbraw/zinc/44/54/64/504445464.db2.gz XXWHWZFYABPVLL-OAQYLSRUSA-N 1 3 351.494 3.063 20 0 FGADHO C[C@H](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435838 504489491 /nfs/dbraw/zinc/48/94/91/504489491.db2.gz PGVXHTKMUPTWQO-CTNGQTDRSA-N 1 3 372.557 3.215 20 0 FGADHO COCCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000535813280 504553508 /nfs/dbraw/zinc/55/35/08/504553508.db2.gz ZTKUCERLKLUZHV-UHFFFAOYSA-N 1 3 364.530 3.273 20 0 FGADHO COCCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000535813280 504553510 /nfs/dbraw/zinc/55/35/10/504553510.db2.gz ZTKUCERLKLUZHV-UHFFFAOYSA-N 1 3 364.530 3.273 20 0 FGADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)C1CCOCC1 ZINC000532193032 504568901 /nfs/dbraw/zinc/56/89/01/504568901.db2.gz HWYYHWBBLHREHE-QFIPXVFZSA-N 1 3 359.558 3.119 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710977 504584112 /nfs/dbraw/zinc/58/41/12/504584112.db2.gz RUQGHUHNWAAKJY-DBXWQHBBSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000521167216 504668362 /nfs/dbraw/zinc/66/83/62/504668362.db2.gz HCOICWPOUIJIML-RTBURBONSA-N 1 3 352.567 3.062 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000521252972 504694751 /nfs/dbraw/zinc/69/47/51/504694751.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000521252972 504694757 /nfs/dbraw/zinc/69/47/57/504694757.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCCO4)CC2)C[C@@H](C)O1 ZINC000539861312 504720749 /nfs/dbraw/zinc/72/07/49/504720749.db2.gz KAIJTWXIHHXAQT-QZTJIDSGSA-N 1 3 374.525 3.169 20 0 FGADHO CCCn1nc(C)c(CN2CCC(OCC[NH+](CC)CC)CC2)c1C ZINC000539861706 504721111 /nfs/dbraw/zinc/72/11/11/504721111.db2.gz ITOHAJMNFDIWFY-UHFFFAOYSA-N 1 3 350.551 3.233 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000549235180 504733844 /nfs/dbraw/zinc/73/38/44/504733844.db2.gz IFMWJOLBWIYELF-ZFMNYDKASA-N 1 3 364.574 3.187 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3Cl)CC2)CC1 ZINC000552856707 504775544 /nfs/dbraw/zinc/77/55/44/504775544.db2.gz AEMRUEYAFHTQNQ-UHFFFAOYSA-N 1 3 363.933 3.153 20 0 FGADHO CN1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343508 504796353 /nfs/dbraw/zinc/79/63/53/504796353.db2.gz CKTNHMWWZSHBIZ-FGZHOGPDSA-N 1 3 363.505 3.110 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472087 504831963 /nfs/dbraw/zinc/83/19/63/504831963.db2.gz QGTUWAKIDFKYGB-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO CN(C)C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472087 504831966 /nfs/dbraw/zinc/83/19/66/504831966.db2.gz QGTUWAKIDFKYGB-GOSISDBHSA-N 1 3 366.937 3.116 20 0 FGADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356105 504864416 /nfs/dbraw/zinc/86/44/16/504864416.db2.gz TYOJBJWJYZLIDO-UNMCSNQZSA-N 1 3 358.526 3.408 20 0 FGADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356105 504864420 /nfs/dbraw/zinc/86/44/20/504864420.db2.gz TYOJBJWJYZLIDO-UNMCSNQZSA-N 1 3 358.526 3.408 20 0 FGADHO Ic1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000556406606 504866033 /nfs/dbraw/zinc/86/60/33/504866033.db2.gz LYCWOYUYUWKNPC-UHFFFAOYSA-N 1 3 370.278 3.255 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889046 /nfs/dbraw/zinc/88/90/46/504889046.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 1 3 359.558 3.082 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889049 /nfs/dbraw/zinc/88/90/49/504889049.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 1 3 359.558 3.082 20 0 FGADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000565593131 504931958 /nfs/dbraw/zinc/93/19/58/504931958.db2.gz GSDQKSCCUHGXJO-AHIWAGSCSA-N 1 3 355.935 3.089 20 0 FGADHO Brc1ccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000565599226 504933685 /nfs/dbraw/zinc/93/36/85/504933685.db2.gz SBMOGAKUBSPEJO-HNNXBMFYSA-N 1 3 353.304 3.149 20 0 FGADHO CN1CCC2(CCCN2C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000562769343 504939018 /nfs/dbraw/zinc/93/90/18/504939018.db2.gz OLPYKIOKBWMTFR-UHFFFAOYSA-N 1 3 370.419 3.256 20 0 FGADHO CN(CCCN(C)C(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccco1 ZINC000553741035 504996511 /nfs/dbraw/zinc/99/65/11/504996511.db2.gz YIPLLOIXESTJOC-UHFFFAOYSA-N 1 3 369.509 3.470 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 ZINC000562962877 505000574 /nfs/dbraw/zinc/00/05/74/505000574.db2.gz XDXIGHFFDMBBKD-YUCXSWCWSA-N 1 3 371.504 3.130 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000560265082 505033378 /nfs/dbraw/zinc/03/33/78/505033378.db2.gz DGCKGDCGJUNROJ-VXKWHMMOSA-N 1 3 357.542 3.362 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000560265082 505033380 /nfs/dbraw/zinc/03/33/80/505033380.db2.gz DGCKGDCGJUNROJ-VXKWHMMOSA-N 1 3 357.542 3.362 20 0 FGADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000563065329 505038414 /nfs/dbraw/zinc/03/84/14/505038414.db2.gz HQBIIXDHRRRSIH-OXJNMPFZSA-N 1 3 351.494 3.029 20 0 FGADHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563092025 505045745 /nfs/dbraw/zinc/04/57/45/505045745.db2.gz IHIMDTUOPDFTAT-VXKWHMMOSA-N 1 3 374.488 3.107 20 0 FGADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199084 505074353 /nfs/dbraw/zinc/07/43/53/505074353.db2.gz RHZRFKBCLAKIBZ-QZTJIDSGSA-N 1 3 357.542 3.079 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000563207186 505075522 /nfs/dbraw/zinc/07/55/22/505075522.db2.gz WBQXWTRAIBMTCE-DENIHFKCSA-N 1 3 371.569 3.450 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000563207186 505075527 /nfs/dbraw/zinc/07/55/27/505075527.db2.gz WBQXWTRAIBMTCE-DENIHFKCSA-N 1 3 371.569 3.450 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830901 505110704 /nfs/dbraw/zinc/11/07/04/505110704.db2.gz LRANWQWCCWORNA-JKLQHZFJSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830901 505110707 /nfs/dbraw/zinc/11/07/07/505110707.db2.gz LRANWQWCCWORNA-JKLQHZFJSA-N 1 3 371.569 3.429 20 0 FGADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000550830901 505110710 /nfs/dbraw/zinc/11/07/10/505110710.db2.gz LRANWQWCCWORNA-JKLQHZFJSA-N 1 3 371.569 3.429 20 0 FGADHO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524501 505114953 /nfs/dbraw/zinc/11/49/53/505114953.db2.gz DFLANTLPYIIMKQ-PCCBWWKXSA-N 1 3 369.553 3.313 20 0 FGADHO CC1CC[NH+](CCC[C@H](NCC(C)(C)C(N)=O)c2ccc(F)cc2)CC1 ZINC000550940475 505127038 /nfs/dbraw/zinc/12/70/38/505127038.db2.gz OOTOJAOJXBLGIO-IBGZPJMESA-N 1 3 363.521 3.480 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C3CCCC3)CC2)CC1 ZINC000557564333 505169009 /nfs/dbraw/zinc/16/90/09/505169009.db2.gz HDZFEMYXHKWUCO-NRFANRHFSA-N 1 3 361.574 3.364 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000566432837 505174796 /nfs/dbraw/zinc/17/47/96/505174796.db2.gz KBDURBDDTMBUFX-QGZVFWFLSA-N 1 3 373.541 3.069 20 0 FGADHO N[C@H]1CCC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483721 505187327 /nfs/dbraw/zinc/18/73/27/505187327.db2.gz WKRKSBRLYRTPKA-RYUDHWBXSA-N 1 3 351.800 3.382 20 0 FGADHO [NH3+][C@H]1CCC[C@H](NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566483721 505187331 /nfs/dbraw/zinc/18/73/31/505187331.db2.gz WKRKSBRLYRTPKA-RYUDHWBXSA-N 1 3 351.800 3.382 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000551266880 505189800 /nfs/dbraw/zinc/18/98/00/505189800.db2.gz HATQIMSIXYZLJL-IRLDBZIGSA-N 1 3 359.558 3.444 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000554550051 505204736 /nfs/dbraw/zinc/20/47/36/505204736.db2.gz ATFMPNFADVHJFT-PZJWPPBQSA-N 1 3 374.573 3.129 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000554550051 505204741 /nfs/dbraw/zinc/20/47/41/505204741.db2.gz ATFMPNFADVHJFT-PZJWPPBQSA-N 1 3 374.573 3.129 20 0 FGADHO CN(C)C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000561046629 505237264 /nfs/dbraw/zinc/23/72/64/505237264.db2.gz VNOSJABERMUNIA-IBGZPJMESA-N 1 3 372.900 3.410 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280733 505302878 /nfs/dbraw/zinc/30/28/78/505302878.db2.gz OQMFWUIBTBGDQC-QUCCMNQESA-N 1 3 359.445 3.199 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380415 505371622 /nfs/dbraw/zinc/37/16/22/505371622.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380415 505371624 /nfs/dbraw/zinc/37/16/24/505371624.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000555210153 505380421 /nfs/dbraw/zinc/38/04/21/505380421.db2.gz YUXKETZRRPPINN-PMACEKPBSA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000555210156 505380699 /nfs/dbraw/zinc/38/06/99/505380699.db2.gz YUXKETZRRPPINN-WOJBJXKFSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000564321643 505383738 /nfs/dbraw/zinc/38/37/38/505383738.db2.gz OKDBSKPHCVEQOO-IBGZPJMESA-N 1 3 374.550 3.298 20 0 FGADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000552065579 505388256 /nfs/dbraw/zinc/38/82/56/505388256.db2.gz FXGXCSFLLRWHOF-CMOCDZPBSA-N 1 3 364.537 3.478 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000564505076 505436084 /nfs/dbraw/zinc/43/60/84/505436084.db2.gz NLCSJDIXXWBNSH-FQEVSTJZSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@@H](C)O1 ZINC000555530028 505447438 /nfs/dbraw/zinc/44/74/38/505447438.db2.gz JSWZCJOOXKIIHS-QZTJIDSGSA-N 1 3 357.498 3.244 20 0 FGADHO CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000555712744 505497084 /nfs/dbraw/zinc/49/70/84/505497084.db2.gz WTFWFRHWIZGBRV-SFTDATJTSA-N 1 3 369.553 3.409 20 0 FGADHO Cc1c(F)cccc1NC(=O)CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000564848685 505537413 /nfs/dbraw/zinc/53/74/13/505537413.db2.gz FJUXVQJZBHBHLD-UHFFFAOYSA-N 1 3 370.472 3.364 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220932 505543384 /nfs/dbraw/zinc/54/33/84/505543384.db2.gz IPRJZRJMRKWZGM-SJORKVTESA-N 1 3 364.534 3.273 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000567821706 505566057 /nfs/dbraw/zinc/56/60/57/505566057.db2.gz IKQDMYDUAKRYKQ-NRFANRHFSA-N 1 3 366.509 3.090 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000582833052 506446235 /nfs/dbraw/zinc/44/62/35/506446235.db2.gz FYXXXJUGSNZZFG-PMACEKPBSA-N 1 3 354.498 3.103 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217235 506488928 /nfs/dbraw/zinc/48/89/28/506488928.db2.gz DTADQHCYEUZDIX-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000589217235 506488934 /nfs/dbraw/zinc/48/89/34/506488934.db2.gz DTADQHCYEUZDIX-QUCCMNQESA-N 1 3 360.546 3.161 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000603593729 506568988 /nfs/dbraw/zinc/56/89/88/506568988.db2.gz XQNYUYYADBNWNN-PKOBYXMFSA-N 1 3 358.530 3.043 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000603610637 506577398 /nfs/dbraw/zinc/57/73/98/506577398.db2.gz XINRGAGTPFCVAE-IEBWSBKVSA-N 1 3 360.546 3.288 20 0 FGADHO O=C(CN1C2CCCC1CCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000608498966 506587879 /nfs/dbraw/zinc/58/78/79/506587879.db2.gz MQMCCJZEDPAPDZ-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000612593426 506642511 /nfs/dbraw/zinc/64/25/11/506642511.db2.gz HUXBPXSKSUECDY-HXUWFJFHSA-N 1 3 372.557 3.087 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1Cl ZINC000583260962 506682794 /nfs/dbraw/zinc/68/27/94/506682794.db2.gz CZNQJPQJSCMVFI-KRWDZBQOSA-N 1 3 373.884 3.106 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604157870 506729581 /nfs/dbraw/zinc/72/95/81/506729581.db2.gz PYWKRLIYIMGPMK-OAQYLSRUSA-N 1 3 372.557 3.386 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000604202209 506750163 /nfs/dbraw/zinc/75/01/63/506750163.db2.gz STQOAKPNOPWYKE-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118608 506785850 /nfs/dbraw/zinc/78/58/50/506785850.db2.gz PQYABLBOLHDMTF-HXUWFJFHSA-N 1 3 371.569 3.272 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118608 506785855 /nfs/dbraw/zinc/78/58/55/506785855.db2.gz PQYABLBOLHDMTF-HXUWFJFHSA-N 1 3 371.569 3.272 20 0 FGADHO COC(=O)Cc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000600185953 506829325 /nfs/dbraw/zinc/82/93/25/506829325.db2.gz VTIXYMCERSJNJE-AVRDEDQJSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185953 506829332 /nfs/dbraw/zinc/82/93/32/506829332.db2.gz VTIXYMCERSJNJE-AVRDEDQJSA-N 1 3 366.505 3.402 20 0 FGADHO COC(=O)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000600185953 506829337 /nfs/dbraw/zinc/82/93/37/506829337.db2.gz VTIXYMCERSJNJE-AVRDEDQJSA-N 1 3 366.505 3.402 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000594093237 506935946 /nfs/dbraw/zinc/93/59/46/506935946.db2.gz JEWRNDYEZHVNLD-OAQYLSRUSA-N 1 3 370.541 3.052 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000590786945 506957244 /nfs/dbraw/zinc/95/72/44/506957244.db2.gz ZGRCTOXXJADFJL-NRFANRHFSA-N 1 3 362.558 3.404 20 0 FGADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786945 506957248 /nfs/dbraw/zinc/95/72/48/506957248.db2.gz ZGRCTOXXJADFJL-NRFANRHFSA-N 1 3 362.558 3.404 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831743 506998881 /nfs/dbraw/zinc/99/88/81/506998881.db2.gz CFMRAVQMOUYEJY-DENIHFKCSA-N 1 3 365.521 3.368 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831743 506998885 /nfs/dbraw/zinc/99/88/85/506998885.db2.gz CFMRAVQMOUYEJY-DENIHFKCSA-N 1 3 365.521 3.368 20 0 FGADHO CN1CCN(CC2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)CC1 ZINC000583962556 507071797 /nfs/dbraw/zinc/07/17/97/507071797.db2.gz XPUICGSEIRUNMR-UHFFFAOYSA-N 1 3 364.537 3.208 20 0 FGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000584136826 507171242 /nfs/dbraw/zinc/17/12/42/507171242.db2.gz RJTOIDNDKJOQJF-IAGOWNOFSA-N 1 3 357.498 3.312 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C\c3ccccc3)CC2)CC1 ZINC000584181189 507198938 /nfs/dbraw/zinc/19/89/38/507198938.db2.gz RBHAASPRUXWIQN-TWGQIWQCSA-N 1 3 355.526 3.012 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000601045988 507241047 /nfs/dbraw/zinc/24/10/47/507241047.db2.gz ZAHJGPSWJLOCOA-RTBURBONSA-N 1 3 371.569 3.176 20 0 FGADHO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000584268349 507246556 /nfs/dbraw/zinc/24/65/56/507246556.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 1 3 359.514 3.414 20 0 FGADHO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000584268349 507246566 /nfs/dbraw/zinc/24/65/66/507246566.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 1 3 359.514 3.414 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N(C)C1CC1 ZINC000591554112 507290194 /nfs/dbraw/zinc/29/01/94/507290194.db2.gz PITHKYITDSOJFQ-SFHVURJKSA-N 1 3 372.557 3.200 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601215107 507298124 /nfs/dbraw/zinc/29/81/24/507298124.db2.gz STWYCCIBNNRDEF-PMACEKPBSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(I)c1 ZINC000591579951 507301588 /nfs/dbraw/zinc/30/15/88/507301588.db2.gz AXRDUHPZAWQCCI-IINYFYTJSA-N 1 3 374.241 3.223 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000605988038 507320168 /nfs/dbraw/zinc/32/01/68/507320168.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 1 3 366.594 3.404 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000605988038 507320170 /nfs/dbraw/zinc/32/01/70/507320170.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 1 3 366.594 3.404 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000594942415 507324080 /nfs/dbraw/zinc/32/40/80/507324080.db2.gz IBUAVTMHCWFNFX-IRZCZHAHSA-N 1 3 356.510 3.074 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343872 /nfs/dbraw/zinc/34/38/72/507343872.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343879 /nfs/dbraw/zinc/34/38/79/507343879.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 1 3 367.921 3.482 20 0 FGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(I)cc32)C1 ZINC000595015366 507355969 /nfs/dbraw/zinc/35/59/69/507355969.db2.gz CQTTUJQKKRONGT-WBMJQRKESA-N 1 3 370.278 3.210 20 0 FGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(I)cc32)C1 ZINC000595015366 507355971 /nfs/dbraw/zinc/35/59/71/507355971.db2.gz CQTTUJQKKRONGT-WBMJQRKESA-N 1 3 370.278 3.210 20 0 FGADHO COC(=O)c1coc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000595070493 507377536 /nfs/dbraw/zinc/37/75/36/507377536.db2.gz VICWXENMXWXJSJ-HNNXBMFYSA-N 1 3 357.454 3.024 20 0 FGADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000595069602 507378595 /nfs/dbraw/zinc/37/85/95/507378595.db2.gz ZMFABRFEDGQZNK-LJQANCHMSA-N 1 3 359.514 3.005 20 0 FGADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523947 507392886 /nfs/dbraw/zinc/39/28/86/507392886.db2.gz PGJPUVSTEVJYRF-IPELMVKDSA-N 1 3 363.440 3.133 20 0 FGADHO COC(=O)COc1ccccc1[C@@H](C)NCC1CC[NH+](CC2CC2)CC1 ZINC000595103667 507393380 /nfs/dbraw/zinc/39/33/80/507393380.db2.gz NXAVFXMSOXDXKU-MRXNPFEDSA-N 1 3 360.498 3.011 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595147551 507409806 /nfs/dbraw/zinc/40/98/06/507409806.db2.gz VELXQKCJBLPVMC-KRWDZBQOSA-N 1 3 373.932 3.080 20 0 FGADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358490 507698678 /nfs/dbraw/zinc/69/86/78/507698678.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358490 507698684 /nfs/dbraw/zinc/69/86/84/507698684.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536969 609337985 /nfs/dbraw/zinc/33/79/85/609337985.db2.gz BJKNIDVEFXZMHH-OOHWJJMZSA-N 1 3 372.492 3.454 20 0 FGADHO C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000182723629 705858271 /nfs/dbraw/zinc/85/82/71/705858271.db2.gz DKWGYIAMXCFBKL-ZWKOTPCHSA-N 1 3 353.551 3.488 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)cc1CN1CCCCC1 ZINC000246012949 713615354 /nfs/dbraw/zinc/61/53/54/713615354.db2.gz ILEQNMMQBNETII-FTRWYGJKSA-N 1 3 366.571 3.444 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878678 714030784 /nfs/dbraw/zinc/03/07/84/714030784.db2.gz UJRLIUXJQFFYMM-INIZCTEOSA-N 1 3 353.963 3.493 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074329 714567072 /nfs/dbraw/zinc/56/70/72/714567072.db2.gz RYUYRJMFNNDUGK-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074325 714567186 /nfs/dbraw/zinc/56/71/86/714567186.db2.gz RYUYRJMFNNDUGK-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624119908 715476722 /nfs/dbraw/zinc/47/67/22/715476722.db2.gz MDPCWBKNHQTFMF-FYQPLNBISA-N 1 3 363.933 3.008 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624119908 715476723 /nfs/dbraw/zinc/47/67/23/715476723.db2.gz MDPCWBKNHQTFMF-FYQPLNBISA-N 1 3 363.933 3.008 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000628050531 716103302 /nfs/dbraw/zinc/10/33/02/716103302.db2.gz GHIJEAQOYNUTNJ-AWEZNQCLSA-N 1 3 365.905 3.017 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000628050531 716103305 /nfs/dbraw/zinc/10/33/05/716103305.db2.gz GHIJEAQOYNUTNJ-AWEZNQCLSA-N 1 3 365.905 3.017 20 0 FGADHO [NH3+]CCCOCCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629538158 716304569 /nfs/dbraw/zinc/30/45/69/716304569.db2.gz MQDCNGNUHILXMO-GOSISDBHSA-N 1 3 363.299 3.494 20 0 FGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000629588672 716314236 /nfs/dbraw/zinc/31/42/36/716314236.db2.gz LKNTZUDZPCISQR-GFOJFJKKSA-N 1 3 356.897 3.061 20 0 FGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000629588672 716314238 /nfs/dbraw/zinc/31/42/38/716314238.db2.gz LKNTZUDZPCISQR-GFOJFJKKSA-N 1 3 356.897 3.061 20 0 FGADHO COc1cc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)sn1 ZINC000638335302 717435860 /nfs/dbraw/zinc/43/58/60/717435860.db2.gz LGZWAHMWHLSVLG-HUUCEWRRSA-N 1 3 361.511 3.051 20 0 FGADHO O=c1c(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447985 717448270 /nfs/dbraw/zinc/44/82/70/717448270.db2.gz QBVYOIIPGNDIOL-AWEZNQCLSA-N 1 3 367.465 3.307 20 0 FGADHO O=c1c(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447985 717448272 /nfs/dbraw/zinc/44/82/72/717448272.db2.gz QBVYOIIPGNDIOL-AWEZNQCLSA-N 1 3 367.465 3.307 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3sccc3Br)C2)C1 ZINC000650707683 718717360 /nfs/dbraw/zinc/71/73/60/718717360.db2.gz KSUCRHQELMKLDU-YRGRVCCFSA-N 1 3 359.333 3.229 20 0 FGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CCN ZINC000652354560 718936391 /nfs/dbraw/zinc/93/63/91/718936391.db2.gz BWFBYYMCPKPJGG-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CCN ZINC000652354560 718936392 /nfs/dbraw/zinc/93/63/92/718936392.db2.gz BWFBYYMCPKPJGG-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354560 718936393 /nfs/dbraw/zinc/93/63/93/718936393.db2.gz BWFBYYMCPKPJGG-CJNGLKHVSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CCN ZINC000652354559 718936461 /nfs/dbraw/zinc/93/64/61/718936461.db2.gz BWFBYYMCPKPJGG-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CCN ZINC000652354559 718936462 /nfs/dbraw/zinc/93/64/62/718936462.db2.gz BWFBYYMCPKPJGG-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354559 718936463 /nfs/dbraw/zinc/93/64/63/718936463.db2.gz BWFBYYMCPKPJGG-BBRMVZONSA-N 1 3 368.319 3.227 20 0 FGADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731938 719331451 /nfs/dbraw/zinc/33/14/51/719331451.db2.gz WNDJBIHJUGZDKI-OALUTQOASA-N 1 3 352.906 3.261 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000665759096 720813746 /nfs/dbraw/zinc/81/37/46/720813746.db2.gz ZJSMVAMPYNISGZ-YJBOKZPZSA-N 1 3 366.937 3.068 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000665759096 720813750 /nfs/dbraw/zinc/81/37/50/720813750.db2.gz ZJSMVAMPYNISGZ-YJBOKZPZSA-N 1 3 366.937 3.068 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995780 721010750 /nfs/dbraw/zinc/01/07/50/721010750.db2.gz ZWXFVGDIKSNZHR-DZGCQCFKSA-N 1 3 365.905 3.330 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583625 721468972 /nfs/dbraw/zinc/46/89/72/721468972.db2.gz LKESMJXGPIHAHE-ZWKOTPCHSA-N 1 3 366.937 3.164 20 0 FGADHO CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634159 /nfs/dbraw/zinc/63/41/59/721634159.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634161 /nfs/dbraw/zinc/63/41/61/721634161.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO CN1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804667 722409822 /nfs/dbraw/zinc/40/98/22/722409822.db2.gz QATUSDFUSSZRHF-CSNJMZFVSA-N 1 3 351.535 3.238 20 0 FGADHO CCN(CC)[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000727074638 722440945 /nfs/dbraw/zinc/44/09/45/722440945.db2.gz MLUUKODYVADZSK-MRXNPFEDSA-N 1 3 370.632 3.183 20 0 FGADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047064 722949644 /nfs/dbraw/zinc/94/96/44/722949644.db2.gz DRQDVXXRERREQB-OKZBNKHCSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798468 723541767 /nfs/dbraw/zinc/54/17/67/723541767.db2.gz SBRBOWCGLSKDOW-UKRRQHHQSA-N 1 3 371.497 3.239 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165011 725294042 /nfs/dbraw/zinc/29/40/42/725294042.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 1 3 353.526 3.063 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165011 725294043 /nfs/dbraw/zinc/29/40/43/725294043.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 1 3 353.526 3.063 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183900 /nfs/dbraw/zinc/18/39/00/727183900.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 1 3 351.535 3.051 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183902 /nfs/dbraw/zinc/18/39/02/727183902.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 1 3 351.535 3.051 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818979867 727333672 /nfs/dbraw/zinc/33/36/72/727333672.db2.gz CEXKPMAPXBPYDX-QGZVFWFLSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)CN1CCCC1 ZINC000823671422 729297646 /nfs/dbraw/zinc/29/76/46/729297646.db2.gz OFTAQWJXMFOEQR-FGTMMUONSA-N 1 3 353.551 3.344 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000841075631 730208139 /nfs/dbraw/zinc/20/81/39/730208139.db2.gz TVECFNMVPSAALQ-RSRPTUBKSA-N 1 3 366.571 3.488 20 0 FGADHO [NH3+]CCCCCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000846220960 730937253 /nfs/dbraw/zinc/93/72/53/730937253.db2.gz FDQAGXPQBFKVFW-UHFFFAOYSA-N 1 3 358.555 3.447 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000848241278 731148501 /nfs/dbraw/zinc/14/85/01/731148501.db2.gz LULJBFGLKAKPSH-OALUTQOASA-N 1 3 373.944 3.004 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064859 731225348 /nfs/dbraw/zinc/22/53/48/731225348.db2.gz FRTFWAJPFVWVSR-AWEZNQCLSA-N 1 3 373.328 3.361 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853241460 731686736 /nfs/dbraw/zinc/68/67/36/731686736.db2.gz VMURLYDJISTQDW-KZNAEPCWSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241460 731686738 /nfs/dbraw/zinc/68/67/38/731686738.db2.gz VMURLYDJISTQDW-KZNAEPCWSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241460 731686745 /nfs/dbraw/zinc/68/67/45/731686745.db2.gz VMURLYDJISTQDW-KZNAEPCWSA-N 1 3 351.535 3.144 20 0 FGADHO Cc1cc(CNC2CC[NH+](CCN(C)C)CC2)c(Br)cc1F ZINC000858095262 732179859 /nfs/dbraw/zinc/17/98/59/732179859.db2.gz NMWDCYVKEXEMNZ-UHFFFAOYSA-N 1 3 372.326 3.012 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283550 732804249 /nfs/dbraw/zinc/80/42/49/732804249.db2.gz KIFCKWMROSBLJQ-RRFJBIMHSA-N 1 3 361.477 3.094 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862283550 732804251 /nfs/dbraw/zinc/80/42/51/732804251.db2.gz KIFCKWMROSBLJQ-RRFJBIMHSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449770 733203511 /nfs/dbraw/zinc/20/35/11/733203511.db2.gz FBAQDGAOHUOFPH-GJZGRUSLSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449770 733203517 /nfs/dbraw/zinc/20/35/17/733203517.db2.gz FBAQDGAOHUOFPH-GJZGRUSLSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449770 733203521 /nfs/dbraw/zinc/20/35/21/733203521.db2.gz FBAQDGAOHUOFPH-GJZGRUSLSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000878366632 736816903 /nfs/dbraw/zinc/81/69/03/736816903.db2.gz UMTZPSBWOIDYLM-GOSISDBHSA-N 1 3 351.922 3.227 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668122 740029124 /nfs/dbraw/zinc/02/91/24/740029124.db2.gz HFTBRSACZNTBAL-KLHDSHLOSA-N 1 3 364.452 3.218 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454900 742285529 /nfs/dbraw/zinc/28/55/29/742285529.db2.gz BRVMVSOVWWYBPD-QKPAOTATSA-N 1 3 364.452 3.217 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903091872 743803934 /nfs/dbraw/zinc/80/39/34/743803934.db2.gz BRQHJJWIYSYPHK-UXHICEINSA-N 1 3 364.917 3.090 20 0 FGADHO O=C(c1ccccc1Cl)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903832960 743887094 /nfs/dbraw/zinc/88/70/94/743887094.db2.gz ULECMVQXEWDSFH-JXFKEZNVSA-N 1 3 362.901 3.003 20 0 FGADHO [NH3+]C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372008 759106964 /nfs/dbraw/zinc/10/69/64/759106964.db2.gz DWICHGGKMVAQFR-ZBFHGGJFSA-N 1 3 361.313 3.230 20 0 FGADHO [NH3+]CC[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483964 759129467 /nfs/dbraw/zinc/12/94/67/759129467.db2.gz UOSRDKXFDMGCSL-LBPRGKRZSA-N 1 3 350.260 3.275 20 0 FGADHO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@H](CC[NH3+])C1 ZINC000923488337 759130615 /nfs/dbraw/zinc/13/06/15/759130615.db2.gz RZYWAAGPKFLYHP-RYUDHWBXSA-N 1 3 354.376 3.487 20 0 FGADHO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000924993657 759428584 /nfs/dbraw/zinc/42/85/84/759428584.db2.gz QNPPXAOIHHAGJN-YJBOKZPZSA-N 1 3 363.933 3.199 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629017 759514885 /nfs/dbraw/zinc/51/48/85/759514885.db2.gz JQWDQDZVIZCURR-PILAGYSTSA-N 1 3 351.897 3.331 20 0 FGADHO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)CC2 ZINC000925786590 759539802 /nfs/dbraw/zinc/53/98/02/759539802.db2.gz XANHOFIRSVPWMY-BXUZGUMPSA-N 1 3 350.331 3.407 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cc(Br)c2ccccc2c1 ZINC000925807485 759546509 /nfs/dbraw/zinc/54/65/09/759546509.db2.gz VGYSPYCNVPLRSA-XZOAIXRZSA-N 1 3 363.299 3.444 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925807265 759546792 /nfs/dbraw/zinc/54/67/92/759546792.db2.gz DVAZEMPVQMXMAJ-OAHLLOKOSA-N 1 3 358.555 3.270 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCC[NH+]1CCCCC1)C2 ZINC000934610362 761675285 /nfs/dbraw/zinc/67/52/85/761675285.db2.gz ILRZQLJZCBCMAP-BZSNNMDCSA-N 1 3 351.535 3.240 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001022109021 765974214 /nfs/dbraw/zinc/97/42/14/765974214.db2.gz BEBISUMFGHFSFU-MJQMVNBJSA-N 1 3 363.933 3.116 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001022109021 765974216 /nfs/dbraw/zinc/97/42/16/765974216.db2.gz BEBISUMFGHFSFU-MJQMVNBJSA-N 1 3 363.933 3.116 20 0 FGADHO C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc(OCCN(C)C)c1 ZINC000540148428 503690510 /nfs/dbraw/zinc/69/05/10/503690510.db2.gz OCINYICQQVOVSB-MRXNPFEDSA-N 1 3 352.482 3.397 20 0 FGADHO CCc1ccc([C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000579608384 505586363 /nfs/dbraw/zinc/58/63/63/505586363.db2.gz SCHFRTWMQSMZPI-QFIPXVFZSA-N 1 3 367.537 3.386 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](CC(C)(C)C)C3)CC2)CC1 ZINC000579612191 505587261 /nfs/dbraw/zinc/58/72/61/505587261.db2.gz AWOQFWJYGCUBMP-GOSISDBHSA-N 1 3 363.590 3.467 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712889 505602276 /nfs/dbraw/zinc/60/22/76/505602276.db2.gz FYAOKDUXZWVHCN-OAHLLOKOSA-N 1 3 353.457 3.251 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712889 505602279 /nfs/dbraw/zinc/60/22/79/505602279.db2.gz FYAOKDUXZWVHCN-OAHLLOKOSA-N 1 3 353.457 3.251 20 0 FGADHO C[C@@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952998 505651613 /nfs/dbraw/zinc/65/16/13/505651613.db2.gz YTEHXAMIGVMPRK-WMLDXEAASA-N 1 3 371.447 3.128 20 0 FGADHO C[C@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952996 505651639 /nfs/dbraw/zinc/65/16/39/505651639.db2.gz YTEHXAMIGVMPRK-PBHICJAKSA-N 1 3 371.447 3.128 20 0 FGADHO CC(C)c1nc(CNc2c[nH+]ccc2N2CCN(C)CC2)c2ccccn21 ZINC000573926022 505652885 /nfs/dbraw/zinc/65/28/85/505652885.db2.gz PSJHTPXEUPZJLT-UHFFFAOYSA-N 1 3 364.497 3.217 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CC(C)C)CC2)CC1 ZINC000573932321 505654555 /nfs/dbraw/zinc/65/45/55/505654555.db2.gz JAMIPPWROZVOKL-UHFFFAOYSA-N 1 3 351.579 3.371 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331537 493867127 /nfs/dbraw/zinc/86/71/27/493867127.db2.gz RHENUXIKNUIWGV-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331537 493867130 /nfs/dbraw/zinc/86/71/30/493867130.db2.gz RHENUXIKNUIWGV-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(CN(C)C)c2)c1 ZINC000081347607 493875958 /nfs/dbraw/zinc/87/59/58/493875958.db2.gz FRXQQMUFCWLCTR-UHFFFAOYSA-N 1 3 353.510 3.261 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000081363739 493879742 /nfs/dbraw/zinc/87/97/42/493879742.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 1 3 357.542 3.475 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)C1 ZINC000081363739 493879744 /nfs/dbraw/zinc/87/97/44/493879744.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 1 3 357.542 3.475 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906896 493912502 /nfs/dbraw/zinc/91/25/02/493912502.db2.gz KHJVAMDIPMASGZ-LJQANCHMSA-N 1 3 367.493 3.243 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]CCCc2nc3ccccc3n2C)cc1 ZINC000076900967 493985675 /nfs/dbraw/zinc/98/56/75/493985675.db2.gz PORDYNQKJIPMPL-UHFFFAOYSA-N 1 3 366.509 3.236 20 0 FGADHO Cc1ccc([C@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051758658 493985868 /nfs/dbraw/zinc/98/58/68/493985868.db2.gz PUVWWYDWDDKWTC-SFHVURJKSA-N 1 3 372.557 3.256 20 0 FGADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000052500214 494033036 /nfs/dbraw/zinc/03/30/36/494033036.db2.gz YXZIXJQBHBLEHQ-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO CC1(C)CC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000065442193 494197717 /nfs/dbraw/zinc/19/77/17/494197717.db2.gz ZSYHCUZCKIYMSF-UHFFFAOYSA-N 1 3 364.578 3.203 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696102 494255195 /nfs/dbraw/zinc/25/51/95/494255195.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696102 494255199 /nfs/dbraw/zinc/25/51/99/494255199.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000088740561 494257576 /nfs/dbraw/zinc/25/75/76/494257576.db2.gz DTJBVWJADLMQNA-QFIPXVFZSA-N 1 3 367.537 3.084 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073034068 494310182 /nfs/dbraw/zinc/31/01/82/494310182.db2.gz FWRYYLVHHPJQKZ-HKUYNNGSSA-N 1 3 363.571 3.013 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523132 494313646 /nfs/dbraw/zinc/31/36/46/494313646.db2.gz SSCZEDVZGLAYOW-UYAOXDASSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523132 494313650 /nfs/dbraw/zinc/31/36/50/494313650.db2.gz SSCZEDVZGLAYOW-UYAOXDASSA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245611 505712673 /nfs/dbraw/zinc/71/26/73/505712673.db2.gz WNMRVZRZFUTGIM-OAQYLSRUSA-N 1 3 354.542 3.391 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245611 505712677 /nfs/dbraw/zinc/71/26/77/505712677.db2.gz WNMRVZRZFUTGIM-OAQYLSRUSA-N 1 3 354.542 3.391 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000089543730 494322599 /nfs/dbraw/zinc/32/25/99/494322599.db2.gz ZJERWQSOLDAMKE-MNEFBYGVSA-N 1 3 368.468 3.310 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cccc(OCC(F)F)c1 ZINC000089543730 494322603 /nfs/dbraw/zinc/32/26/03/494322603.db2.gz ZJERWQSOLDAMKE-MNEFBYGVSA-N 1 3 368.468 3.310 20 0 FGADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccccc1 ZINC000079121647 494406689 /nfs/dbraw/zinc/40/66/89/494406689.db2.gz GHJVGNSAELDYBB-OAQYLSRUSA-N 1 3 368.525 3.063 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000571386328 505721063 /nfs/dbraw/zinc/72/10/63/505721063.db2.gz HZZCPHWAZABAAW-UCNVEGJOSA-N 1 3 353.510 3.487 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000079223861 494422225 /nfs/dbraw/zinc/42/22/25/494422225.db2.gz XBYSUEZRGPLWFS-NRFANRHFSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000090038802 494432579 /nfs/dbraw/zinc/43/25/79/494432579.db2.gz IEXHNZFLPYVGMJ-MSOLQXFVSA-N 1 3 353.510 3.260 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524005 494478039 /nfs/dbraw/zinc/47/80/39/494478039.db2.gz YTMAKLPQQXFEJQ-JHVJFLLYSA-N 1 3 359.514 3.064 20 0 FGADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC000074168716 494491535 /nfs/dbraw/zinc/49/15/35/494491535.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N(C)Cc1ccccc1 ZINC000074168716 494491538 /nfs/dbraw/zinc/49/15/38/494491538.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC000074168721 494491623 /nfs/dbraw/zinc/49/16/23/494491623.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N(C)Cc1ccccc1 ZINC000074168721 494491626 /nfs/dbraw/zinc/49/16/26/494491626.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO COc1ccc([C@@H](Cc2ccccc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000568570155 505724412 /nfs/dbraw/zinc/72/44/12/505724412.db2.gz OBNBHHJTCMNGBC-HSZRJFAPSA-N 1 3 368.521 3.415 20 0 FGADHO COc1cccc(C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 ZINC000121185672 494636463 /nfs/dbraw/zinc/63/64/63/494636463.db2.gz XSAJZDIRZAMSAE-HMFYCAOWSA-N 1 3 360.542 3.495 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057137798 494653910 /nfs/dbraw/zinc/65/39/10/494653910.db2.gz YMPYUQCDIRQTMH-UHFFFAOYSA-N 1 3 365.521 3.277 20 0 FGADHO CC[NH+](CC)CCOC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000075007456 494671623 /nfs/dbraw/zinc/67/16/23/494671623.db2.gz XHNVFPBCHQUFBB-UHFFFAOYSA-N 1 3 372.513 3.102 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000092615719 494687207 /nfs/dbraw/zinc/68/72/07/494687207.db2.gz KSIVZSFZOKGUIH-UHFFFAOYSA-N 1 3 371.550 3.305 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)c(F)c1 ZINC000126467565 494761285 /nfs/dbraw/zinc/76/12/85/494761285.db2.gz NOUIFPQGCORAGH-UHFFFAOYSA-N 1 3 372.326 3.046 20 0 FGADHO CCCCCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821342 494764355 /nfs/dbraw/zinc/76/43/55/494764355.db2.gz ZBGREGSGYIGCDO-SFHVURJKSA-N 1 3 360.546 3.315 20 0 FGADHO CC1CCC(NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092821127 494764512 /nfs/dbraw/zinc/76/45/12/494764512.db2.gz DBQQBRPRYBCSDQ-UHFFFAOYSA-N 1 3 372.557 3.315 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000126521132 494777508 /nfs/dbraw/zinc/77/75/08/494777508.db2.gz DCADJUXISDZQGN-LJQANCHMSA-N 1 3 365.949 3.478 20 0 FGADHO C[NH+](C)C1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCCC1 ZINC000047835409 494781756 /nfs/dbraw/zinc/78/17/56/494781756.db2.gz KYSRHGANWHSJHR-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO O[C@H](COc1ccc(F)cc1)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121628465 494825222 /nfs/dbraw/zinc/82/52/22/494825222.db2.gz JDDZNQODYWMIJX-FQEVSTJZSA-N 1 3 364.505 3.153 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121904110 494885713 /nfs/dbraw/zinc/88/57/13/494885713.db2.gz DGDRTCWIIKULTC-IBGZPJMESA-N 1 3 365.949 3.479 20 0 FGADHO c1csc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734988 494915004 /nfs/dbraw/zinc/91/50/04/494915004.db2.gz NCRFDLGKVREDQH-UHFFFAOYSA-N 1 3 360.527 3.215 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000122103414 494923745 /nfs/dbraw/zinc/92/37/45/494923745.db2.gz WIIOLCFOGXEACZ-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000122103414 494923747 /nfs/dbraw/zinc/92/37/47/494923747.db2.gz WIIOLCFOGXEACZ-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC3CCCCC3)CC2)CC1 ZINC000127497673 494953488 /nfs/dbraw/zinc/95/34/88/494953488.db2.gz UHJSCFIFUJJHIN-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514003 505751741 /nfs/dbraw/zinc/75/17/41/505751741.db2.gz MHTPPQAZZACBTH-IZBOUPIGSA-N 1 3 368.521 3.463 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514003 505751744 /nfs/dbraw/zinc/75/17/44/505751744.db2.gz MHTPPQAZZACBTH-IZBOUPIGSA-N 1 3 368.521 3.463 20 0 FGADHO c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000122407931 494970173 /nfs/dbraw/zinc/97/01/73/494970173.db2.gz MKWBQBGDCUMVBE-VGOFRKELSA-N 1 3 370.537 3.480 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C)C1 ZINC000127748174 494991896 /nfs/dbraw/zinc/99/18/96/494991896.db2.gz DAIZZPHYCUPGDH-GIVPXCGWSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C)C1 ZINC000127748174 494991898 /nfs/dbraw/zinc/99/18/98/494991898.db2.gz DAIZZPHYCUPGDH-GIVPXCGWSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122925456 495054111 /nfs/dbraw/zinc/05/41/11/495054111.db2.gz CKFATNUEIGYTQZ-KRWDZBQOSA-N 1 3 373.541 3.330 20 0 FGADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000128265208 495069534 /nfs/dbraw/zinc/06/95/34/495069534.db2.gz IJBMSNSNMDQMIR-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000128411411 495092552 /nfs/dbraw/zinc/09/25/52/495092552.db2.gz JKZSOPLZLMPPKQ-IAGOWNOFSA-N 1 3 360.571 3.406 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545872 495204474 /nfs/dbraw/zinc/20/44/74/495204474.db2.gz UVTRNGCKCLXNOJ-UZLBHIALSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545872 495204477 /nfs/dbraw/zinc/20/44/77/495204477.db2.gz UVTRNGCKCLXNOJ-UZLBHIALSA-N 1 3 369.484 3.374 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000580492495 505770154 /nfs/dbraw/zinc/77/01/54/505770154.db2.gz JDTSKNPNBQNCFJ-LJQANCHMSA-N 1 3 374.573 3.067 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000580492495 505770157 /nfs/dbraw/zinc/77/01/57/505770157.db2.gz JDTSKNPNBQNCFJ-LJQANCHMSA-N 1 3 374.573 3.067 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855984 495305594 /nfs/dbraw/zinc/30/55/94/495305594.db2.gz YONVODPQMDIMJT-KRWDZBQOSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855984 495305596 /nfs/dbraw/zinc/30/55/96/495305596.db2.gz YONVODPQMDIMJT-KRWDZBQOSA-N 1 3 352.910 3.220 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000130019567 495329257 /nfs/dbraw/zinc/32/92/57/495329257.db2.gz CDXNLYQMIFJOHI-OAQYLSRUSA-N 1 3 351.494 3.143 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105113071 495338080 /nfs/dbraw/zinc/33/80/80/495338080.db2.gz HPDCILBTUXGVRD-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105113071 495338083 /nfs/dbraw/zinc/33/80/83/495338083.db2.gz HPDCILBTUXGVRD-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000105173625 495342685 /nfs/dbraw/zinc/34/26/85/495342685.db2.gz KEMHCLAWNFVVKF-NRFANRHFSA-N 1 3 372.557 3.101 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1n1cccn1 ZINC000568785897 505776707 /nfs/dbraw/zinc/77/67/07/505776707.db2.gz LCVDUXZBYLEODU-NJDAHSKKSA-N 1 3 370.541 3.349 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1n1cccn1 ZINC000568785897 505776709 /nfs/dbraw/zinc/77/67/09/505776709.db2.gz LCVDUXZBYLEODU-NJDAHSKKSA-N 1 3 370.541 3.349 20 0 FGADHO Cc1nc(CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000125084055 495388868 /nfs/dbraw/zinc/38/88/68/495388868.db2.gz KQMZSCRSQPOZRN-HOTGVXAUSA-N 1 3 351.560 3.205 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829745 495432847 /nfs/dbraw/zinc/43/28/47/495432847.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829745 495432851 /nfs/dbraw/zinc/43/28/51/495432851.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829743 495432906 /nfs/dbraw/zinc/43/29/06/495432906.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829743 495432911 /nfs/dbraw/zinc/43/29/11/495432911.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782429 495483328 /nfs/dbraw/zinc/48/33/28/495483328.db2.gz MJBSHQZUABIRON-FPOVZHCZSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782429 495483331 /nfs/dbraw/zinc/48/33/31/495483331.db2.gz MJBSHQZUABIRON-FPOVZHCZSA-N 1 3 372.557 3.161 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000107326790 495525237 /nfs/dbraw/zinc/52/52/37/495525237.db2.gz BVZSEWZHOAPHGR-FQEVSTJZSA-N 1 3 360.546 3.243 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCN1CCCC1 ZINC000170682915 495563745 /nfs/dbraw/zinc/56/37/45/495563745.db2.gz CIIQUUQRJVEPDJ-AWEZNQCLSA-N 1 3 357.420 3.498 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+]1CCCC1 ZINC000170682915 495563748 /nfs/dbraw/zinc/56/37/48/495563748.db2.gz CIIQUUQRJVEPDJ-AWEZNQCLSA-N 1 3 357.420 3.498 20 0 FGADHO O=C(CN1CCC[C@@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872474 495635215 /nfs/dbraw/zinc/63/52/15/495635215.db2.gz MAEWLPIOCPYYML-OAQYLSRUSA-N 1 3 355.526 3.163 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C2CCC2)CC1 ZINC000170872476 495635639 /nfs/dbraw/zinc/63/56/39/495635639.db2.gz BYONFNLXPWUJLS-JOCHJYFZSA-N 1 3 369.553 3.340 20 0 FGADHO O=C(CN1CCC[C@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872475 495636063 /nfs/dbraw/zinc/63/60/63/495636063.db2.gz MAEWLPIOCPYYML-NRFANRHFSA-N 1 3 355.526 3.163 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176487464 495668923 /nfs/dbraw/zinc/66/89/23/495668923.db2.gz MEZFOMVDASGWRQ-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CN1C1CC1 ZINC000154629232 495677066 /nfs/dbraw/zinc/67/70/66/495677066.db2.gz MPAHTIYHRDNKKW-PXNSSMCTSA-N 1 3 370.541 3.097 20 0 FGADHO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000185680643 495677095 /nfs/dbraw/zinc/67/70/95/495677095.db2.gz BVOAFKKAHKCWBR-IRXDYDNUSA-N 1 3 360.498 3.427 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000159334397 495711634 /nfs/dbraw/zinc/71/16/34/495711634.db2.gz NCTKAENJRHYBDI-UHFFFAOYSA-N 1 3 361.505 3.030 20 0 FGADHO C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151039986 495719075 /nfs/dbraw/zinc/71/90/75/495719075.db2.gz OCAYHLBLTLUMPO-GOSISDBHSA-N 1 3 368.525 3.473 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176611259 495720163 /nfs/dbraw/zinc/72/01/63/495720163.db2.gz NEURQADTXBDVRC-PZJWPPBQSA-N 1 3 372.557 3.165 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325819 495805863 /nfs/dbraw/zinc/80/58/63/495805863.db2.gz JALXNBKARLUSJU-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325819 495805867 /nfs/dbraw/zinc/80/58/67/495805867.db2.gz JALXNBKARLUSJU-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325819 495805872 /nfs/dbraw/zinc/80/58/72/495805872.db2.gz JALXNBKARLUSJU-DENIHFKCSA-N 1 3 370.541 3.158 20 0 FGADHO Cc1[nH]nc2ncc(C[N@@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807186 /nfs/dbraw/zinc/80/71/86/505807186.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 1 3 361.493 3.220 20 0 FGADHO Cc1[nH]nc2ncc(C[N@H+]3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807188 /nfs/dbraw/zinc/80/71/88/505807188.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 1 3 361.493 3.220 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167630 495889916 /nfs/dbraw/zinc/88/99/16/495889916.db2.gz HHEFVXZJJJAXOS-XCSKNGGISA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167630 495889920 /nfs/dbraw/zinc/88/99/20/495889920.db2.gz HHEFVXZJJJAXOS-XCSKNGGISA-N 1 3 362.521 3.446 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(OCCN(C)C)cc1 ZINC000155478335 495968417 /nfs/dbraw/zinc/96/84/17/495968417.db2.gz ABZHBIPEONNVEO-SFHVURJKSA-N 1 3 361.530 3.070 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000155507925 495977289 /nfs/dbraw/zinc/97/72/89/495977289.db2.gz AZMPMZCERXLBFT-GOSISDBHSA-N 1 3 357.523 3.377 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000180460204 496004834 /nfs/dbraw/zinc/00/48/34/496004834.db2.gz FQYFSRQSQBXQDS-INIZCTEOSA-N 1 3 374.447 3.199 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000171741318 496016029 /nfs/dbraw/zinc/01/60/29/496016029.db2.gz DJOLOOVSUUEHJL-KDURUIRLSA-N 1 3 357.542 3.339 20 0 FGADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC000568980187 505823304 /nfs/dbraw/zinc/82/33/04/505823304.db2.gz YJFHGIYTZDJZGX-MRXNPFEDSA-N 1 3 351.494 3.233 20 0 FGADHO CSc1nnc(CCC[NH2+]C2CCN(C(C)(C)C)CC2)n1CC(C)C ZINC000178175341 496356453 /nfs/dbraw/zinc/35/64/53/496356453.db2.gz QNFLQMLPTVFKOM-UHFFFAOYSA-N 1 3 367.607 3.441 20 0 FGADHO CSc1nnc(CCCNC2CC[NH+](C(C)(C)C)CC2)n1CC(C)C ZINC000178175341 496356455 /nfs/dbraw/zinc/35/64/55/496356455.db2.gz QNFLQMLPTVFKOM-UHFFFAOYSA-N 1 3 367.607 3.441 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(OCCN(C)C)c1 ZINC000178233019 496379271 /nfs/dbraw/zinc/37/92/71/496379271.db2.gz LXGCISSUHSWLKN-QGZVFWFLSA-N 1 3 354.494 3.455 20 0 FGADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175442391 496393177 /nfs/dbraw/zinc/39/31/77/496393177.db2.gz NCULYZLRPWLRMP-UHFFFAOYSA-N 1 3 351.494 3.143 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181493592 496418801 /nfs/dbraw/zinc/41/88/01/496418801.db2.gz UKLKEPALCIUXRW-UXHICEINSA-N 1 3 351.579 3.122 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553527 496435987 /nfs/dbraw/zinc/43/59/87/496435987.db2.gz MIKRGFRPUPYCIU-NRFANRHFSA-N 1 3 374.573 3.315 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000181691850 496505314 /nfs/dbraw/zinc/50/53/14/496505314.db2.gz UVTQYSSQKIULKT-QZTJIDSGSA-N 1 3 368.562 3.320 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844353 496569717 /nfs/dbraw/zinc/56/97/17/496569717.db2.gz RGJQUANJEHMMMG-GOSISDBHSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844353 496569722 /nfs/dbraw/zinc/56/97/22/496569722.db2.gz RGJQUANJEHMMMG-GOSISDBHSA-N 1 3 357.502 3.048 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000153808751 496588046 /nfs/dbraw/zinc/58/80/46/496588046.db2.gz AXFSHAHULUCFCK-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967481 496616765 /nfs/dbraw/zinc/61/67/65/496616765.db2.gz ZOIZQPQZZWFNMU-ROUUACIJSA-N 1 3 368.562 3.320 20 0 FGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000158164079 496641830 /nfs/dbraw/zinc/64/18/30/496641830.db2.gz AETBLSPGUUWXEF-KRWDZBQOSA-N 1 3 352.544 3.253 20 0 FGADHO C[C@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)CN1CCCC1 ZINC000165288140 496654886 /nfs/dbraw/zinc/65/48/86/496654886.db2.gz WNXQLUMQMSAILT-QZTJIDSGSA-N 1 3 356.514 3.382 20 0 FGADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165316629 496655387 /nfs/dbraw/zinc/65/53/87/496655387.db2.gz SBKKNZRJWOKNDH-PKTZIBPZSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@H](Cc1ccccc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316629 496655392 /nfs/dbraw/zinc/65/53/92/496655392.db2.gz SBKKNZRJWOKNDH-PKTZIBPZSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165316629 496655396 /nfs/dbraw/zinc/65/53/96/496655396.db2.gz SBKKNZRJWOKNDH-PKTZIBPZSA-N 1 3 352.522 3.398 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000165929520 496673254 /nfs/dbraw/zinc/67/32/54/496673254.db2.gz WWQCJXFSACWDQZ-HIFRSBDPSA-N 1 3 373.335 3.465 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1F)CCNC2 ZINC000580881567 505859381 /nfs/dbraw/zinc/85/93/81/505859381.db2.gz UOWAFCLVXSHPFD-KRWDZBQOSA-N 1 3 374.504 3.390 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1F)CCNC2 ZINC000580881567 505859384 /nfs/dbraw/zinc/85/93/84/505859384.db2.gz UOWAFCLVXSHPFD-KRWDZBQOSA-N 1 3 374.504 3.390 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687809 /nfs/dbraw/zinc/68/78/09/496687809.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687815 /nfs/dbraw/zinc/68/78/15/496687815.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 1 3 374.548 3.245 20 0 FGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000580882058 505860097 /nfs/dbraw/zinc/86/00/97/505860097.db2.gz JAIOHGXTFFMBHQ-RTWAWAEBSA-N 1 3 368.525 3.355 20 0 FGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000580882058 505860099 /nfs/dbraw/zinc/86/00/99/505860099.db2.gz JAIOHGXTFFMBHQ-RTWAWAEBSA-N 1 3 368.525 3.355 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000176128141 496695827 /nfs/dbraw/zinc/69/58/27/496695827.db2.gz MLKCCDNPNXZURY-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(OCCN(C)C)cc1 ZINC000168118866 496708688 /nfs/dbraw/zinc/70/86/88/496708688.db2.gz RPOMZDQRAWRVLF-FUHWJXTLSA-N 1 3 372.488 3.091 20 0 FGADHO C[C@@H](CCNC(=O)c1oc2ccccc2c1CN(C)C)[NH+]1CCCCC1 ZINC000182239245 496718260 /nfs/dbraw/zinc/71/82/60/496718260.db2.gz OIJGYBPKXIDIKW-INIZCTEOSA-N 1 3 357.498 3.489 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722581 /nfs/dbraw/zinc/72/25/81/496722581.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722585 /nfs/dbraw/zinc/72/25/85/496722585.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273180 496724324 /nfs/dbraw/zinc/72/43/24/496724324.db2.gz GBSTXZGQISLZAM-XLIONFOSSA-N 1 3 353.510 3.170 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273180 496724327 /nfs/dbraw/zinc/72/43/27/496724327.db2.gz GBSTXZGQISLZAM-XLIONFOSSA-N 1 3 353.510 3.170 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246959550 496736031 /nfs/dbraw/zinc/73/60/31/496736031.db2.gz HTDXBVAICWYVMR-UONOGXRCSA-N 1 3 353.894 3.058 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246959550 496736028 /nfs/dbraw/zinc/73/60/28/496736028.db2.gz HTDXBVAICWYVMR-UONOGXRCSA-N 1 3 353.894 3.058 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247061965 496767215 /nfs/dbraw/zinc/76/72/15/496767215.db2.gz PONDWBPJYRNQDB-HDEZJCGLSA-N 1 3 351.922 3.246 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247061965 496767218 /nfs/dbraw/zinc/76/72/18/496767218.db2.gz PONDWBPJYRNQDB-HDEZJCGLSA-N 1 3 351.922 3.246 20 0 FGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767656 /nfs/dbraw/zinc/76/76/56/496767656.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 1 3 358.574 3.250 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000191456995 496769168 /nfs/dbraw/zinc/76/91/68/496769168.db2.gz HGVCYVNPYPHGGM-UHFFFAOYSA-N 1 3 367.965 3.457 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000191456995 496769175 /nfs/dbraw/zinc/76/91/75/496769175.db2.gz HGVCYVNPYPHGGM-UHFFFAOYSA-N 1 3 367.965 3.457 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCS2 ZINC000191516235 496794050 /nfs/dbraw/zinc/79/40/50/496794050.db2.gz CFLKRSRXBGLMPT-HNAYVOBHSA-N 1 3 362.539 3.323 20 0 FGADHO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000191602845 496828013 /nfs/dbraw/zinc/82/80/13/496828013.db2.gz OTZGYVQCDSFCBK-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268950333 496831827 /nfs/dbraw/zinc/83/18/27/496831827.db2.gz CGBWOILZVTYICS-OAHLLOKOSA-N 1 3 359.539 3.150 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000268985045 496842624 /nfs/dbraw/zinc/84/26/24/496842624.db2.gz LHMJMSONRZLYBL-GOSISDBHSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000268993711 496844487 /nfs/dbraw/zinc/84/44/87/496844487.db2.gz NELJUZCSCDWSAD-NQIIRXRSSA-N 1 3 356.510 3.444 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858408 /nfs/dbraw/zinc/85/84/08/496858408.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 1 3 374.573 3.411 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858415 /nfs/dbraw/zinc/85/84/15/496858415.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 1 3 374.573 3.411 20 0 FGADHO O=C(CN1CCC[C@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685681 496905095 /nfs/dbraw/zinc/90/50/95/496905095.db2.gz UXIOPJMGQJDCCY-NHCUHLMSSA-N 1 3 355.526 3.163 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956317 496932433 /nfs/dbraw/zinc/93/24/33/496932433.db2.gz FQKISABHCIMPIK-ZFWWWQNUSA-N 1 3 360.420 3.315 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956317 496932438 /nfs/dbraw/zinc/93/24/38/496932438.db2.gz FQKISABHCIMPIK-ZFWWWQNUSA-N 1 3 360.420 3.315 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074729 496952932 /nfs/dbraw/zinc/95/29/32/496952932.db2.gz QXKCZTLTOSSMTP-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000195606598 496953633 /nfs/dbraw/zinc/95/36/33/496953633.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000195606598 496953636 /nfs/dbraw/zinc/95/36/36/496953636.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158675 496965658 /nfs/dbraw/zinc/96/56/58/496965658.db2.gz RTLXWWHRCSXNDI-VNYTWHDVSA-N 1 3 359.558 3.205 20 0 FGADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248408842 497000923 /nfs/dbraw/zinc/00/09/23/497000923.db2.gz VYFWVFOZMZFIJX-OYNPSCLESA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408842 497000927 /nfs/dbraw/zinc/00/09/27/497000927.db2.gz VYFWVFOZMZFIJX-OYNPSCLESA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408842 497000929 /nfs/dbraw/zinc/00/09/29/497000929.db2.gz VYFWVFOZMZFIJX-OYNPSCLESA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440805 497012663 /nfs/dbraw/zinc/01/26/63/497012663.db2.gz JTCCLLIKXOMJLO-UZLBHIALSA-N 1 3 368.477 3.223 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440805 497012665 /nfs/dbraw/zinc/01/26/65/497012665.db2.gz JTCCLLIKXOMJLO-UZLBHIALSA-N 1 3 368.477 3.223 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165919 497021075 /nfs/dbraw/zinc/02/10/75/497021075.db2.gz HNHBQYNPICXNNL-ZDUSSCGKSA-N 1 3 374.754 3.218 20 0 FGADHO C(=C/C[NH+]1CCC([C@H]2CCCO2)CC1)\CN1CCC([C@H]2CCCO2)CC1 ZINC000189202867 497042446 /nfs/dbraw/zinc/04/24/46/497042446.db2.gz VYHCKJDPWCDPCH-HSMZSTHASA-N 1 3 362.558 3.325 20 0 FGADHO COc1cc(C)c([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352612 497083518 /nfs/dbraw/zinc/08/35/18/497083518.db2.gz AWOKRJVOIIRMND-SJORKVTESA-N 1 3 350.503 3.164 20 0 FGADHO COc1cc(C)c([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352612 497083522 /nfs/dbraw/zinc/08/35/22/497083522.db2.gz AWOKRJVOIIRMND-SJORKVTESA-N 1 3 350.503 3.164 20 0 FGADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000192440986 497115888 /nfs/dbraw/zinc/11/58/88/497115888.db2.gz KNWZDYPDCHXDPQ-UHFFFAOYSA-N 1 3 374.525 3.229 20 0 FGADHO Cn1c2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000192454628 497119981 /nfs/dbraw/zinc/11/99/81/497119981.db2.gz OMDUOIQLCOKXHJ-UHFFFAOYSA-N 1 3 367.518 3.486 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000265448553 497121976 /nfs/dbraw/zinc/12/19/76/497121976.db2.gz SSEXJWNKFHULFR-UHFFFAOYSA-N 1 3 372.944 3.348 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236630965 497122770 /nfs/dbraw/zinc/12/27/70/497122770.db2.gz BXVDCKKWQXPGJI-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516053 497143124 /nfs/dbraw/zinc/14/31/24/497143124.db2.gz MDXAFKJQFSLABW-NHCUHLMSSA-N 1 3 370.541 3.092 20 0 FGADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(F)(F)F ZINC000192651213 497175012 /nfs/dbraw/zinc/17/50/12/497175012.db2.gz HZECINYWEVCRPU-GOOCMWNKSA-N 1 3 358.404 3.351 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887397 497191140 /nfs/dbraw/zinc/19/11/40/497191140.db2.gz ITEXHGAKQHNKQE-YFVAEKQCSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887397 497191149 /nfs/dbraw/zinc/19/11/49/497191149.db2.gz ITEXHGAKQHNKQE-YFVAEKQCSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274887397 497191155 /nfs/dbraw/zinc/19/11/55/497191155.db2.gz ITEXHGAKQHNKQE-YFVAEKQCSA-N 1 3 354.494 3.229 20 0 FGADHO CC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000274934103 497201695 /nfs/dbraw/zinc/20/16/95/497201695.db2.gz MCZRYPFOZVCAAW-OAQYLSRUSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237464714 497240996 /nfs/dbraw/zinc/24/09/96/497240996.db2.gz RLGVHIYXIWBGPU-DZFGPLHGSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000237478286 497243660 /nfs/dbraw/zinc/24/36/60/497243660.db2.gz OWAMJDDEZKZJQK-SFHVURJKSA-N 1 3 357.542 3.315 20 0 FGADHO C[C@H](CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237505841 497248022 /nfs/dbraw/zinc/24/80/22/497248022.db2.gz ISZUQKCLBIHTRT-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO Cc1ncccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000237594505 497260467 /nfs/dbraw/zinc/26/04/67/497260467.db2.gz MHPWRAYESCSSHL-UHFFFAOYSA-N 1 3 352.526 3.078 20 0 FGADHO C[C@H](NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cscn1 ZINC000271120856 497268529 /nfs/dbraw/zinc/26/85/29/497268529.db2.gz JIQYOMFLITZHNO-SFHVURJKSA-N 1 3 358.555 3.392 20 0 FGADHO Cc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000237697834 497278113 /nfs/dbraw/zinc/27/81/13/497278113.db2.gz NSDFHDXIFCVZMA-UHFFFAOYSA-N 1 3 359.514 3.188 20 0 FGADHO NC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000237826026 497297077 /nfs/dbraw/zinc/29/70/77/497297077.db2.gz FKPXFCRZMSDVLL-NRFANRHFSA-N 1 3 351.494 3.031 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301944 /nfs/dbraw/zinc/30/19/44/497301944.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 1 3 354.922 3.024 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301947 /nfs/dbraw/zinc/30/19/47/497301947.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 1 3 354.922 3.024 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000193407153 497373180 /nfs/dbraw/zinc/37/31/80/497373180.db2.gz DIVUQOSKHGTEJF-LJQANCHMSA-N 1 3 359.539 3.031 20 0 FGADHO O=C(NCc1ccc(F)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000193473399 497389107 /nfs/dbraw/zinc/38/91/07/497389107.db2.gz BKSJRTUASXDOBZ-UHFFFAOYSA-N 1 3 361.505 3.030 20 0 FGADHO CCC1(O)CCN(Cc2ccccc2C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000266725379 497406587 /nfs/dbraw/zinc/40/65/87/497406587.db2.gz IRMAFKDVIGAOBK-UHFFFAOYSA-N 1 3 360.542 3.160 20 0 FGADHO CC[NH+]1CCC(NCCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000271718159 497428292 /nfs/dbraw/zinc/42/82/92/497428292.db2.gz PPWWHCYLHAAAPZ-UHFFFAOYSA-N 1 3 368.319 3.160 20 0 FGADHO CC[N@@H+]1CC[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000578293018 505906513 /nfs/dbraw/zinc/90/65/13/505906513.db2.gz JRLKUSGITWFVKD-SMDDNHRTSA-N 1 3 364.843 3.486 20 0 FGADHO CC[N@H+]1CC[C@@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000578293018 505906518 /nfs/dbraw/zinc/90/65/18/505906518.db2.gz JRLKUSGITWFVKD-SMDDNHRTSA-N 1 3 364.843 3.486 20 0 FGADHO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC000261939490 497479971 /nfs/dbraw/zinc/47/99/71/497479971.db2.gz MMDATXDOYPDKGV-UHFFFAOYSA-N 1 3 357.420 3.354 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CCNC3)c1 ZINC000578304761 505910480 /nfs/dbraw/zinc/91/04/80/505910480.db2.gz NBWAEYZFGGTUKD-UHFFFAOYSA-N 1 3 352.482 3.106 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CCNC3)c1 ZINC000578304761 505910482 /nfs/dbraw/zinc/91/04/82/505910482.db2.gz NBWAEYZFGGTUKD-UHFFFAOYSA-N 1 3 352.482 3.106 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000272146172 497546865 /nfs/dbraw/zinc/54/68/65/497546865.db2.gz LASGBJLCWSMTSE-GOSISDBHSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000272309999 497593425 /nfs/dbraw/zinc/59/34/25/497593425.db2.gz OUABZDUXBKNRPA-WOJBJXKFSA-N 1 3 374.525 3.109 20 0 FGADHO C[C@H](CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657727 497593521 /nfs/dbraw/zinc/59/35/21/497593521.db2.gz VGVGVDJNQNAQMX-SBHAEUEKSA-N 1 3 357.542 3.135 20 0 FGADHO COCCN(C)c1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000276728736 497638034 /nfs/dbraw/zinc/63/80/34/497638034.db2.gz DCLXJCZYRWXAQN-UHFFFAOYSA-N 1 3 370.541 3.294 20 0 FGADHO COCCN(C)c1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000276728736 497638037 /nfs/dbraw/zinc/63/80/37/497638037.db2.gz DCLXJCZYRWXAQN-UHFFFAOYSA-N 1 3 370.541 3.294 20 0 FGADHO CN1CCC(CNCc2nc(-c3ccccc3)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000194341879 497639144 /nfs/dbraw/zinc/63/91/44/497639144.db2.gz IXCNDFOYLIMGNH-UHFFFAOYSA-N 1 3 367.541 3.117 20 0 FGADHO C[NH+]1CCC(CNCc2nc(-c3ccccc3)c[nH]2)(N2CCCCC2)CC1 ZINC000194341879 497639147 /nfs/dbraw/zinc/63/91/47/497639147.db2.gz IXCNDFOYLIMGNH-UHFFFAOYSA-N 1 3 367.541 3.117 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccco1 ZINC000569373302 505920062 /nfs/dbraw/zinc/92/00/62/505920062.db2.gz POCOTVZTOHVYQN-ZBFHGGJFSA-N 1 3 364.534 3.317 20 0 FGADHO CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262959806 497666440 /nfs/dbraw/zinc/66/64/40/497666440.db2.gz KOVGWZHAKUJVAP-GHTZIAJQSA-N 1 3 357.542 3.450 20 0 FGADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@]12CCCO2 ZINC000272670680 497696623 /nfs/dbraw/zinc/69/66/23/497696623.db2.gz KKTQHGZBKLACHP-VSKRKVRLSA-N 1 3 358.526 3.010 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246348222 497703584 /nfs/dbraw/zinc/70/35/84/497703584.db2.gz CUFUFSOMKZAHBM-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246348222 497703587 /nfs/dbraw/zinc/70/35/87/497703587.db2.gz CUFUFSOMKZAHBM-RTWAWAEBSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272730827 497714188 /nfs/dbraw/zinc/71/41/88/497714188.db2.gz INJUFDADSDQUPT-GHTZIAJQSA-N 1 3 352.478 3.039 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272730827 497714192 /nfs/dbraw/zinc/71/41/92/497714192.db2.gz INJUFDADSDQUPT-GHTZIAJQSA-N 1 3 352.478 3.039 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272730713 497714313 /nfs/dbraw/zinc/71/43/13/497714313.db2.gz ILBQXRNQKYHDJP-KNQAVFIVSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730713 497714318 /nfs/dbraw/zinc/71/43/18/497714318.db2.gz ILBQXRNQKYHDJP-KNQAVFIVSA-N 1 3 366.505 3.429 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246398542 497720619 /nfs/dbraw/zinc/72/06/19/497720619.db2.gz JXHLZIWXHWIHDC-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246398542 497720624 /nfs/dbraw/zinc/72/06/24/497720624.db2.gz JXHLZIWXHWIHDC-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cc1 ZINC000272755198 497721927 /nfs/dbraw/zinc/72/19/27/497721927.db2.gz OPDRXYUPIBEELI-KRWDZBQOSA-N 1 3 369.509 3.479 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC000263173541 497723711 /nfs/dbraw/zinc/72/37/11/497723711.db2.gz GAOHCAHYCPELCV-PBVWOCPUSA-N 1 3 357.542 3.406 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263372518 497770198 /nfs/dbraw/zinc/77/01/98/497770198.db2.gz YXQOGGWEODRCTO-QMMLZNLJSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263372518 497770204 /nfs/dbraw/zinc/77/02/04/497770204.db2.gz YXQOGGWEODRCTO-QMMLZNLJSA-N 1 3 351.494 3.246 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780381 /nfs/dbraw/zinc/78/03/81/497780381.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780386 /nfs/dbraw/zinc/78/03/86/497780386.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800609 /nfs/dbraw/zinc/80/06/09/497800609.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 1 3 367.459 3.496 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800611 /nfs/dbraw/zinc/80/06/11/497800611.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 1 3 367.459 3.496 20 0 FGADHO COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273125475 497801877 /nfs/dbraw/zinc/80/18/77/497801877.db2.gz YUWQYPCROXACQJ-QGZVFWFLSA-N 1 3 369.509 3.146 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704610 497801991 /nfs/dbraw/zinc/80/19/91/497801991.db2.gz RRHSYSAYOPYLRA-RTWAWAEBSA-N 1 3 355.526 3.128 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000246836984 497815085 /nfs/dbraw/zinc/81/50/85/497815085.db2.gz ARXQLAJSRRDHOK-QKLQHJQFSA-N 1 3 362.514 3.388 20 0 FGADHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384727 497932734 /nfs/dbraw/zinc/93/27/34/497932734.db2.gz NDHPGFOKXLJQBK-SFHVURJKSA-N 1 3 363.509 3.419 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000296355465 498010214 /nfs/dbraw/zinc/01/02/14/498010214.db2.gz JFPWPXUNRIQKGH-NRFANRHFSA-N 1 3 357.542 3.015 20 0 FGADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000296463565 498052875 /nfs/dbraw/zinc/05/28/75/498052875.db2.gz OWPGEKVXTNRGLE-INIZCTEOSA-N 1 3 351.494 3.172 20 0 FGADHO CN1CC[C@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584322 498069298 /nfs/dbraw/zinc/06/92/98/498069298.db2.gz JYJOUFHEMGVFGF-QFIPXVFZSA-N 1 3 370.541 3.275 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402589 505979822 /nfs/dbraw/zinc/97/98/22/505979822.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000581402589 505979825 /nfs/dbraw/zinc/97/98/25/505979825.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO O=C1O[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130548 /nfs/dbraw/zinc/13/05/48/498130548.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130553 /nfs/dbraw/zinc/13/05/53/498130553.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 1 3 354.494 3.070 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000364767386 498134286 /nfs/dbraw/zinc/13/42/86/498134286.db2.gz BOSMWSVQTVGLSK-DUXKGJEZSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364767386 498134292 /nfs/dbraw/zinc/13/42/92/498134292.db2.gz BOSMWSVQTVGLSK-DUXKGJEZSA-N 1 3 370.541 3.138 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686283 505993960 /nfs/dbraw/zinc/99/39/60/505993960.db2.gz JNERRXKQMJFYOE-HIFRSBDPSA-N 1 3 361.313 3.055 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3[C@H](C)CC[C@H]3C)C2)s1 ZINC000578634069 505985939 /nfs/dbraw/zinc/98/59/39/505985939.db2.gz JNBCVCFRRIDFKY-JFIYKMOQSA-N 1 3 363.571 3.210 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN3[C@H](C)CC[C@H]3C)C2)s1 ZINC000578634069 505985942 /nfs/dbraw/zinc/98/59/42/505985942.db2.gz JNBCVCFRRIDFKY-JFIYKMOQSA-N 1 3 363.571 3.210 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000569741126 506005284 /nfs/dbraw/zinc/00/52/84/506005284.db2.gz IDODQPTWGGFTDP-HYXAFXHYSA-N 1 3 373.516 3.153 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282067752 498378215 /nfs/dbraw/zinc/37/82/15/498378215.db2.gz GZOGUAMPYCCWGG-KRWDZBQOSA-N 1 3 356.514 3.300 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(C)c3)CC2)CC1 ZINC000575932122 506035861 /nfs/dbraw/zinc/03/58/61/506035861.db2.gz BQCYGBAYPWTXPH-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365485970 498493055 /nfs/dbraw/zinc/49/30/55/498493055.db2.gz OUKXBEBMJCINDU-FQEVSTJZSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365485970 498493061 /nfs/dbraw/zinc/49/30/61/498493061.db2.gz OUKXBEBMJCINDU-FQEVSTJZSA-N 1 3 365.521 3.342 20 0 FGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000297583932 498501518 /nfs/dbraw/zinc/50/15/18/498501518.db2.gz IQZJJEFKYXDTCB-NRFANRHFSA-N 1 3 367.493 3.316 20 0 FGADHO Cc1cc(CN(C)CCC[N@@H+](C)CCN(C)C)sc1Br ZINC000572764205 506046492 /nfs/dbraw/zinc/04/64/92/506046492.db2.gz LPVUOMKLYJXXCC-UHFFFAOYSA-N 1 3 362.381 3.134 20 0 FGADHO Cc1cc(CN(C)CCC[N@H+](C)CCN(C)C)sc1Br ZINC000572764205 506046494 /nfs/dbraw/zinc/04/64/94/506046494.db2.gz LPVUOMKLYJXXCC-UHFFFAOYSA-N 1 3 362.381 3.134 20 0 FGADHO COCCC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448319 498517250 /nfs/dbraw/zinc/51/72/50/498517250.db2.gz UYFDDVOELLLRFR-XLIONFOSSA-N 1 3 352.494 3.384 20 0 FGADHO COCCC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448319 498517254 /nfs/dbraw/zinc/51/72/54/498517254.db2.gz UYFDDVOELLLRFR-XLIONFOSSA-N 1 3 352.494 3.384 20 0 FGADHO O=C(NCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949686 498565115 /nfs/dbraw/zinc/56/51/15/498565115.db2.gz BNFKVYYSOIUFIW-VQTJNVASSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949686 498565102 /nfs/dbraw/zinc/56/51/02/498565102.db2.gz BNFKVYYSOIUFIW-VQTJNVASSA-N 1 3 359.514 3.300 20 0 FGADHO O=C(NCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OCc1ccccc1 ZINC000286949686 498565107 /nfs/dbraw/zinc/56/51/07/498565107.db2.gz BNFKVYYSOIUFIW-VQTJNVASSA-N 1 3 359.514 3.300 20 0 FGADHO CCN1CCC(Nc2nc(NC3CC[NH+](CC)CC3)cc(C(C)C)n2)CC1 ZINC000302768016 498565324 /nfs/dbraw/zinc/56/53/24/498565324.db2.gz MEFNYJMOSVOWSE-UHFFFAOYSA-N 1 3 374.577 3.392 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000302971096 498635085 /nfs/dbraw/zinc/63/50/85/498635085.db2.gz OAHKOSIAYPIHPN-FQEVSTJZSA-N 1 3 374.573 3.113 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000302971096 498635092 /nfs/dbraw/zinc/63/50/92/498635092.db2.gz OAHKOSIAYPIHPN-FQEVSTJZSA-N 1 3 374.573 3.113 20 0 FGADHO [NH3+][C@@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)Cc1ccccc1 ZINC000578984091 506067531 /nfs/dbraw/zinc/06/75/31/506067531.db2.gz FBVWWCCRFJKGBH-LJQANCHMSA-N 1 3 371.550 3.036 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809677 506067586 /nfs/dbraw/zinc/06/75/86/506067586.db2.gz PUNPGPMSHAOHLL-QKLQHJQFSA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809677 506067589 /nfs/dbraw/zinc/06/75/89/506067589.db2.gz PUNPGPMSHAOHLL-QKLQHJQFSA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572857718 506069505 /nfs/dbraw/zinc/06/95/05/506069505.db2.gz ROTQSHMIRFKFOI-UYAOXDASSA-N 1 3 360.546 3.069 20 0 FGADHO COc1ccc([C@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCCN2C)cc1 ZINC000363136487 498669264 /nfs/dbraw/zinc/66/92/64/498669264.db2.gz JDNDAWOBSLEOJH-APWZRJJASA-N 1 3 353.470 3.110 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363262103 498734965 /nfs/dbraw/zinc/73/49/65/498734965.db2.gz VVHJOFPAJUNFFJ-MRXNPFEDSA-N 1 3 355.482 3.195 20 0 FGADHO COC(=O)c1ccc(CNCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000318106266 498795673 /nfs/dbraw/zinc/79/56/73/498795673.db2.gz NGOJKQRIXDHCCV-UHFFFAOYSA-N 1 3 369.303 3.057 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1Cc1ccccc1 ZINC000332820515 498803700 /nfs/dbraw/zinc/80/37/00/498803700.db2.gz KLUIQNPSFQZZPV-LPHOPBHVSA-N 1 3 372.557 3.258 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000366167405 498805523 /nfs/dbraw/zinc/80/55/23/498805523.db2.gz DYQDKTDPHQXIQI-QHCPKHFHSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366167405 498805532 /nfs/dbraw/zinc/80/55/32/498805532.db2.gz DYQDKTDPHQXIQI-QHCPKHFHSA-N 1 3 365.521 3.390 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000283196872 498813708 /nfs/dbraw/zinc/81/37/08/498813708.db2.gz RCBNUKUCEYLADM-ZJOUEHCJSA-N 1 3 369.553 3.391 20 0 FGADHO CCN1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)CC1 ZINC000298645732 498838014 /nfs/dbraw/zinc/83/80/14/498838014.db2.gz IXKLWTFYOQSJOE-UHFFFAOYSA-N 1 3 366.575 3.086 20 0 FGADHO OC1(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692508 498838974 /nfs/dbraw/zinc/83/89/74/498838974.db2.gz WTLMVABSGNTKKF-BHIFYINESA-N 1 3 372.553 3.198 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963265 506100968 /nfs/dbraw/zinc/10/09/68/506100968.db2.gz SWKCLSYDQYAOQP-MISYRCLQSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2COc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000581963265 506100971 /nfs/dbraw/zinc/10/09/71/506100971.db2.gz SWKCLSYDQYAOQP-MISYRCLQSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000287844598 498881151 /nfs/dbraw/zinc/88/11/51/498881151.db2.gz WLIXIHZNPINXME-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO O=C(C[C@H]1CCC[N@H+](CCCN2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997634 506095825 /nfs/dbraw/zinc/09/58/25/506095825.db2.gz FXTQUDCSFYIASX-LJQANCHMSA-N 1 3 361.505 3.030 20 0 FGADHO O=C(C[C@H]1CCC[N@@H+](CCCN2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997634 506095828 /nfs/dbraw/zinc/09/58/28/506095828.db2.gz FXTQUDCSFYIASX-LJQANCHMSA-N 1 3 361.505 3.030 20 0 FGADHO C[C@H](c1ccncc1)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000291332001 498897673 /nfs/dbraw/zinc/89/76/73/498897673.db2.gz AJZAURZSECXHQM-GOSISDBHSA-N 1 3 365.525 3.261 20 0 FGADHO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000576333359 506133126 /nfs/dbraw/zinc/13/31/26/506133126.db2.gz CWVWUBUZSXIUOR-UTKZUKDTSA-N 1 3 368.525 3.239 20 0 FGADHO COC(=O)N1CCC(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000367517560 499208235 /nfs/dbraw/zinc/20/82/35/499208235.db2.gz CBADQYUZOUYJPG-VQIMIIECSA-N 1 3 351.535 3.098 20 0 FGADHO COC(=O)N1CCC(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000367517560 499208237 /nfs/dbraw/zinc/20/82/37/499208237.db2.gz CBADQYUZOUYJPG-VQIMIIECSA-N 1 3 351.535 3.098 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000370579624 499233427 /nfs/dbraw/zinc/23/34/27/499233427.db2.gz LURHHBLRIOQMMQ-XVAXZDLZSA-N 1 3 370.541 3.140 20 0 FGADHO c1cc(CN2CCC[C@@]23CCOC3)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725305 499248392 /nfs/dbraw/zinc/24/83/92/499248392.db2.gz QWNGBUOCRCMENZ-VXKWHMMOSA-N 1 3 356.510 3.196 20 0 FGADHO c1cc(CN2CCC[C@@]23CCOC3)cc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725305 499248394 /nfs/dbraw/zinc/24/83/94/499248394.db2.gz QWNGBUOCRCMENZ-VXKWHMMOSA-N 1 3 356.510 3.196 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368493204 499301551 /nfs/dbraw/zinc/30/15/51/499301551.db2.gz IBJUJKNBHODKQL-QUCCMNQESA-N 1 3 352.526 3.314 20 0 FGADHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c2ccccc2n1 ZINC000368827109 499337112 /nfs/dbraw/zinc/33/71/12/499337112.db2.gz YNMGSHPHIMGVBC-UHFFFAOYSA-N 1 3 366.553 3.393 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314658 499390699 /nfs/dbraw/zinc/39/06/99/499390699.db2.gz CVAWZGKUGSNMGK-UHOSZYNNSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314658 499390700 /nfs/dbraw/zinc/39/07/00/499390700.db2.gz CVAWZGKUGSNMGK-UHOSZYNNSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000369449703 499404443 /nfs/dbraw/zinc/40/44/43/499404443.db2.gz XPSITIRZRNLADC-WIYYLYMNSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000372436581 499434372 /nfs/dbraw/zinc/43/43/72/499434372.db2.gz UIXSZKNVXBKOAS-KDURUIRLSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000372436581 499434374 /nfs/dbraw/zinc/43/43/74/499434374.db2.gz UIXSZKNVXBKOAS-KDURUIRLSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1c(-c2cc(CN3CCC4(C[C@H]4C[N@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352568 499465010 /nfs/dbraw/zinc/46/50/10/499465010.db2.gz FRIRRTSNRVZFTL-INIZCTEOSA-N 1 3 369.513 3.080 20 0 FGADHO Cc1c(-c2cc(CN3CCC4(C[C@H]4C[N@@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352568 499465011 /nfs/dbraw/zinc/46/50/11/499465011.db2.gz FRIRRTSNRVZFTL-INIZCTEOSA-N 1 3 369.513 3.080 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000378339145 499503705 /nfs/dbraw/zinc/50/37/05/499503705.db2.gz DQRFIGRWRKBDJP-UGKGYDQZSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000378339145 499503706 /nfs/dbraw/zinc/50/37/06/499503706.db2.gz DQRFIGRWRKBDJP-UGKGYDQZSA-N 1 3 371.569 3.466 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cncnc3C)CC2)c1 ZINC000573220030 506147567 /nfs/dbraw/zinc/14/75/67/506147567.db2.gz VNWKTBJYHKQVSI-IBGZPJMESA-N 1 3 367.541 3.346 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654149 499542825 /nfs/dbraw/zinc/54/28/25/499542825.db2.gz HMMJQFSPWWUINM-YZGWKJHDSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654149 499542828 /nfs/dbraw/zinc/54/28/28/499542828.db2.gz HMMJQFSPWWUINM-YZGWKJHDSA-N 1 3 372.484 3.208 20 0 FGADHO Cc1ccnc([C@H](C)[NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781895 499555339 /nfs/dbraw/zinc/55/53/39/499555339.db2.gz BZPJJCXVVUXXRT-PGRDOPGGSA-N 1 3 353.510 3.486 20 0 FGADHO Cc1ccnc([C@H](C)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000375781895 499555341 /nfs/dbraw/zinc/55/53/41/499555341.db2.gz BZPJJCXVVUXXRT-PGRDOPGGSA-N 1 3 353.510 3.486 20 0 FGADHO OC1(C[NH2+]Cc2cccc3cccnc32)CCN(Cc2ccccc2)CC1 ZINC000397495518 499564339 /nfs/dbraw/zinc/56/43/39/499564339.db2.gz AFNPFAGARCSNTR-UHFFFAOYSA-N 1 3 361.489 3.352 20 0 FGADHO c1ccc(CN2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)nc1 ZINC000376003917 499575462 /nfs/dbraw/zinc/57/54/62/499575462.db2.gz PMNZDMGQXUSZPH-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1ccc(CN2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000376003917 499575464 /nfs/dbraw/zinc/57/54/64/499575464.db2.gz PMNZDMGQXUSZPH-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1ccc(CN2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000376003917 499575466 /nfs/dbraw/zinc/57/54/66/499575466.db2.gz PMNZDMGQXUSZPH-JOCHJYFZSA-N 1 3 356.558 3.433 20 0 FGADHO C[C@H](N[C@@H]1C[C@H](CO)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000376956253 499649347 /nfs/dbraw/zinc/64/93/47/499649347.db2.gz FTDBSOZRCYEVIT-AQOAWAETSA-N 1 3 354.494 3.499 20 0 FGADHO COC(=O)[C@H]1CC12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411273029 499720266 /nfs/dbraw/zinc/72/02/66/499720266.db2.gz BWHNIEAXAFFUIB-HXUWFJFHSA-N 1 3 356.510 3.448 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377704285 499722632 /nfs/dbraw/zinc/72/26/32/499722632.db2.gz WNKNYEHSTYGZPC-MISYRCLQSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377704285 499722634 /nfs/dbraw/zinc/72/26/34/499722634.db2.gz WNKNYEHSTYGZPC-MISYRCLQSA-N 1 3 370.493 3.204 20 0 FGADHO C[NH+](C)CCc1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000377808497 499737175 /nfs/dbraw/zinc/73/71/75/499737175.db2.gz GLYSSEQYHFZPEM-UHFFFAOYSA-N 1 3 366.509 3.036 20 0 FGADHO Cc1ccc2ncc(CN3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411435565 499739857 /nfs/dbraw/zinc/73/98/57/499739857.db2.gz ZTNGHOFYTNRBOH-SFHVURJKSA-N 1 3 352.526 3.144 20 0 FGADHO Cc1ccc2ncc(CN3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000411435565 499739858 /nfs/dbraw/zinc/73/98/58/499739858.db2.gz ZTNGHOFYTNRBOH-SFHVURJKSA-N 1 3 352.526 3.144 20 0 FGADHO CCC(CC)[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccs1 ZINC000411448696 499741765 /nfs/dbraw/zinc/74/17/65/499741765.db2.gz FIJRGMGQVJFCDP-IBGZPJMESA-N 1 3 351.560 3.416 20 0 FGADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000414173548 499765407 /nfs/dbraw/zinc/76/54/07/499765407.db2.gz FUJWWUKDXCXMOI-VQIMIIECSA-N 1 3 354.494 3.454 20 0 FGADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000414190757 499767238 /nfs/dbraw/zinc/76/72/38/499767238.db2.gz ROACXSQFOLQZKL-VQIMIIECSA-N 1 3 354.494 3.454 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000414344410 499779591 /nfs/dbraw/zinc/77/95/91/499779591.db2.gz RLRIYMYKCUNGBK-WWMYMODYSA-N 1 3 357.542 3.298 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@@H]1C ZINC000414346376 499779636 /nfs/dbraw/zinc/77/96/36/499779636.db2.gz UTCAWHRUFFRYRT-CBGDNZLLSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC(C)(C)C[C@H]2C)CC1 ZINC000412044457 499816522 /nfs/dbraw/zinc/81/65/22/499816522.db2.gz OOTGOHZOLRBEQO-GOSISDBHSA-N 1 3 357.542 3.196 20 0 FGADHO CCCC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696189 499821168 /nfs/dbraw/zinc/82/11/68/499821168.db2.gz PRXCXQFTAKBJHN-INIZCTEOSA-N 1 3 351.922 3.139 20 0 FGADHO CCCC[N@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696189 499821170 /nfs/dbraw/zinc/82/11/70/499821170.db2.gz PRXCXQFTAKBJHN-INIZCTEOSA-N 1 3 351.922 3.139 20 0 FGADHO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738553 499824981 /nfs/dbraw/zinc/82/49/81/499824981.db2.gz PHEVJMGIKZHXQZ-CHWSQXEVSA-N 1 3 358.313 3.184 20 0 FGADHO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414738553 499824982 /nfs/dbraw/zinc/82/49/82/499824982.db2.gz PHEVJMGIKZHXQZ-CHWSQXEVSA-N 1 3 358.313 3.184 20 0 FGADHO COCCN(Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756217 499827271 /nfs/dbraw/zinc/82/72/71/499827271.db2.gz JDAPCLQYZXHBBY-OLZOCXBDSA-N 1 3 361.349 3.347 20 0 FGADHO CCCCOc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC ZINC000414785853 499831009 /nfs/dbraw/zinc/83/10/09/499831009.db2.gz JVUPBRRLOZAMEH-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000414816069 499834105 /nfs/dbraw/zinc/83/41/05/499834105.db2.gz ZDSIIUKXGHAGIQ-ZDUSSCGKSA-N 1 3 350.422 3.115 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414831385 499835210 /nfs/dbraw/zinc/83/52/10/499835210.db2.gz DBUSLFFVEKMYFY-YJBOKZPZSA-N 1 3 352.906 3.377 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838324 499836073 /nfs/dbraw/zinc/83/60/73/499836073.db2.gz KHWJWGPMPWGFBG-DOMZBBRYSA-N 1 3 356.308 3.129 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414902226 499843378 /nfs/dbraw/zinc/84/33/78/499843378.db2.gz GYGWWULQSFIPIP-UGSOOPFHSA-N 1 3 353.894 3.045 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902226 499843380 /nfs/dbraw/zinc/84/33/80/499843380.db2.gz GYGWWULQSFIPIP-UGSOOPFHSA-N 1 3 353.894 3.045 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916700 499844256 /nfs/dbraw/zinc/84/42/56/499844256.db2.gz QDOQADNNXKQNCY-CXAGYDPISA-N 1 3 373.419 3.282 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414916700 499844257 /nfs/dbraw/zinc/84/42/57/499844257.db2.gz QDOQADNNXKQNCY-CXAGYDPISA-N 1 3 373.419 3.282 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415070404 499860632 /nfs/dbraw/zinc/86/06/32/499860632.db2.gz UXTLLAMXLZPVRZ-BLLLJJGKSA-N 1 3 368.319 3.273 20 0 FGADHO O=C1CCCN1Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415077414 499861301 /nfs/dbraw/zinc/86/13/01/499861301.db2.gz FBGCJYXEGZYWKD-FGZHOGPDSA-N 1 3 363.505 3.392 20 0 FGADHO CC(C)(C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415100130 499863281 /nfs/dbraw/zinc/86/32/81/499863281.db2.gz HLSFHUILDVOFRI-CYBMUJFWSA-N 1 3 372.340 3.058 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@H](C)C[C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099323 499863301 /nfs/dbraw/zinc/86/33/01/499863301.db2.gz GTCFOVGIDKTONH-QMMLZNLJSA-N 1 3 357.542 3.291 20 0 FGADHO CC(C)(C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415100132 499863315 /nfs/dbraw/zinc/86/33/15/499863315.db2.gz HLSFHUILDVOFRI-ZDUSSCGKSA-N 1 3 372.340 3.058 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122366 499866538 /nfs/dbraw/zinc/86/65/38/499866538.db2.gz JXLDVZAAJZVZHG-DOTOQJQBSA-N 1 3 358.404 3.304 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000415201386 499876451 /nfs/dbraw/zinc/87/64/51/499876451.db2.gz KOXQAMDGNSJJPC-AZUAARDMSA-N 1 3 355.526 3.126 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314622 499885738 /nfs/dbraw/zinc/88/57/38/499885738.db2.gz XXMKRJZZPYQIQI-PXNSSMCTSA-N 1 3 374.529 3.190 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000415911035 499927469 /nfs/dbraw/zinc/92/74/69/499927469.db2.gz IXBDEDRQTQYARK-UHFFFAOYSA-N 1 3 354.498 3.310 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000415932003 499930056 /nfs/dbraw/zinc/93/00/56/499930056.db2.gz NASGXXRIZCURKL-UHFFFAOYSA-N 1 3 352.482 3.146 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000415933058 499930247 /nfs/dbraw/zinc/93/02/47/499930247.db2.gz OUJNSYWEGZKECF-SFHVURJKSA-N 1 3 360.889 3.484 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977789 499936666 /nfs/dbraw/zinc/93/66/66/499936666.db2.gz YRNRNGCKNNAFER-UWJYYQICSA-N 1 3 366.509 3.438 20 0 FGADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979485 499936756 /nfs/dbraw/zinc/93/67/56/499936756.db2.gz QXKOBBAIBJYQPS-FQEVSTJZSA-N 1 3 367.497 3.059 20 0 FGADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415998901 499939508 /nfs/dbraw/zinc/93/95/08/499939508.db2.gz UECIYCBHTXUJKM-UHFFFAOYSA-N 1 3 356.514 3.410 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000416022461 499941965 /nfs/dbraw/zinc/94/19/65/499941965.db2.gz ZBBIYIYSAGJNMB-OAQYLSRUSA-N 1 3 366.509 3.364 20 0 FGADHO C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000576478221 506168359 /nfs/dbraw/zinc/16/83/59/506168359.db2.gz SSPHKXGNCMHZPT-XMSQKQJNSA-N 1 3 365.521 3.184 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570449166 506169885 /nfs/dbraw/zinc/16/98/85/506169885.db2.gz NHTRRGGJTWNOEK-IAGOWNOFSA-N 1 3 368.525 3.340 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417220700 500009172 /nfs/dbraw/zinc/00/91/72/500009172.db2.gz YWHXDWPEEWTHGT-AZUAARDMSA-N 1 3 360.546 3.276 20 0 FGADHO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137843 500010775 /nfs/dbraw/zinc/01/07/75/500010775.db2.gz UIKWKYOXEKYTTK-OKZBNKHCSA-N 1 3 350.890 3.013 20 0 FGADHO COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137843 500010780 /nfs/dbraw/zinc/01/07/80/500010780.db2.gz UIKWKYOXEKYTTK-OKZBNKHCSA-N 1 3 350.890 3.013 20 0 FGADHO CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351259 500023311 /nfs/dbraw/zinc/02/33/11/500023311.db2.gz MHQSVBUUBUQEHI-LNRXMEIDSA-N 1 3 369.553 3.135 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417296792 500032229 /nfs/dbraw/zinc/03/22/29/500032229.db2.gz MRASWAYLSLPUFK-HNNXBMFYSA-N 1 3 374.451 3.125 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000417358147 500048322 /nfs/dbraw/zinc/04/83/22/500048322.db2.gz SNJHTTLSNFXOCC-NRFANRHFSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414062732 500142135 /nfs/dbraw/zinc/14/21/35/500142135.db2.gz LUUFHCHORDIJNR-INIZCTEOSA-N 1 3 358.555 3.487 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677580 500146939 /nfs/dbraw/zinc/14/69/39/500146939.db2.gz GCLHTCPXVUHACN-UWJYYQICSA-N 1 3 372.557 3.419 20 0 FGADHO N[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000416888484 500148308 /nfs/dbraw/zinc/14/83/08/500148308.db2.gz JALLNIJMBKAGHS-OAQYLSRUSA-N 1 3 366.509 3.172 20 0 FGADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826349 500179595 /nfs/dbraw/zinc/17/95/95/500179595.db2.gz CECLRQHSPDETAW-QUCCMNQESA-N 1 3 372.557 3.213 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163598 500240393 /nfs/dbraw/zinc/24/03/93/500240393.db2.gz DRMJMVYGZVQVAT-QZTJIDSGSA-N 1 3 366.937 3.116 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176936 500243240 /nfs/dbraw/zinc/24/32/40/500243240.db2.gz HLTKOQLGHKFABF-HKUYNNGSSA-N 1 3 366.937 3.103 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000418182723 500244517 /nfs/dbraw/zinc/24/45/17/500244517.db2.gz NGGRUTCXEWIKBG-XLIONFOSSA-N 1 3 360.546 3.017 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(CC)CC)cc1 ZINC000418214896 500250152 /nfs/dbraw/zinc/25/01/52/500250152.db2.gz MIVHRRCMSQTLJH-DYESRHJHSA-N 1 3 374.573 3.401 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000418238296 500254169 /nfs/dbraw/zinc/25/41/69/500254169.db2.gz FGYHLGRHZDZSKB-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418241671 500254807 /nfs/dbraw/zinc/25/48/07/500254807.db2.gz TWUITBMJDGKBHA-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000418343299 500265355 /nfs/dbraw/zinc/26/53/55/500265355.db2.gz FKRDMYGPLYYRJT-NRFANRHFSA-N 1 3 368.525 3.023 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000422545943 500273525 /nfs/dbraw/zinc/27/35/25/500273525.db2.gz YFFWICBLLZYXKS-UHFFFAOYSA-N 1 3 351.372 3.178 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418427861 500275599 /nfs/dbraw/zinc/27/55/99/500275599.db2.gz OHENAQLYYLGELV-NJDAHSKKSA-N 1 3 372.557 3.058 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486403 500282530 /nfs/dbraw/zinc/28/25/30/500282530.db2.gz JJUBWVKXYYCWEQ-NDXORKPFSA-N 1 3 368.525 3.211 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486403 500282532 /nfs/dbraw/zinc/28/25/32/500282532.db2.gz JJUBWVKXYYCWEQ-NDXORKPFSA-N 1 3 368.525 3.211 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486401 500282825 /nfs/dbraw/zinc/28/28/25/500282825.db2.gz JJUBWVKXYYCWEQ-DQLDELGASA-N 1 3 368.525 3.211 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486401 500282828 /nfs/dbraw/zinc/28/28/28/500282828.db2.gz JJUBWVKXYYCWEQ-DQLDELGASA-N 1 3 368.525 3.211 20 0 FGADHO CCCN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000418503680 500285594 /nfs/dbraw/zinc/28/55/94/500285594.db2.gz ZEXHQMDTLWMRGV-HXUWFJFHSA-N 1 3 354.498 3.013 20 0 FGADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418526425 500287793 /nfs/dbraw/zinc/28/77/93/500287793.db2.gz ZTAODMXVQWDQBF-ICSRJNTNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422704688 500288013 /nfs/dbraw/zinc/28/80/13/500288013.db2.gz QFZSTNJQOSLAFP-XMSQKQJNSA-N 1 3 351.538 3.371 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)N1CCc2ccccc2C1 ZINC000422704688 500288015 /nfs/dbraw/zinc/28/80/15/500288015.db2.gz QFZSTNJQOSLAFP-XMSQKQJNSA-N 1 3 351.538 3.371 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000422716627 500289509 /nfs/dbraw/zinc/28/95/09/500289509.db2.gz URNZVZMUAMHUGP-FQEVSTJZSA-N 1 3 355.482 3.091 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422723363 500290252 /nfs/dbraw/zinc/29/02/52/500290252.db2.gz RDGZNPHJWJSISR-OAHLLOKOSA-N 1 3 356.489 3.303 20 0 FGADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418554939 500290928 /nfs/dbraw/zinc/29/09/28/500290928.db2.gz NHPZVGDYWULHDG-LJQANCHMSA-N 1 3 368.525 3.068 20 0 FGADHO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCCC2)c1 ZINC000422756488 500294345 /nfs/dbraw/zinc/29/43/45/500294345.db2.gz IXLIZLGWRHRFJZ-KSFYIVLOSA-N 1 3 368.525 3.345 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760335 500295267 /nfs/dbraw/zinc/29/52/67/500295267.db2.gz LVGLBPWIGAXSFA-KJJMTIBFSA-N 1 3 357.542 3.342 20 0 FGADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790702 500298100 /nfs/dbraw/zinc/29/81/00/500298100.db2.gz PQSHXWIZJLASIT-QFIXIFRTSA-N 1 3 356.441 3.439 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422801440 500299798 /nfs/dbraw/zinc/29/97/98/500299798.db2.gz BXOCIZOHCNIGJN-ZRBLBEILSA-N 1 3 370.585 3.017 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418658065 500302392 /nfs/dbraw/zinc/30/23/92/500302392.db2.gz VFURETBBLIZOPL-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422824161 500302664 /nfs/dbraw/zinc/30/26/64/500302664.db2.gz NEPZDYAUDYHBCJ-BZUAXINKSA-N 1 3 365.905 3.188 20 0 FGADHO Cc1cccc(COc2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422841558 500304879 /nfs/dbraw/zinc/30/48/79/500304879.db2.gz DCKGTGBHYISXJO-ZPMCFJSWSA-N 1 3 354.494 3.416 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000418670295 500305143 /nfs/dbraw/zinc/30/51/43/500305143.db2.gz KGXADXQJRKTYRS-OAQYLSRUSA-N 1 3 372.557 3.374 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873219 500308014 /nfs/dbraw/zinc/30/80/14/500308014.db2.gz KOKCPEZXXPOYMY-HOSYDEDBSA-N 1 3 350.816 3.048 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC([C@H](C)[NH3+])CC1 ZINC000430939728 500310487 /nfs/dbraw/zinc/31/04/87/500310487.db2.gz MHOYNKNCHJNVLE-YESZJQIVSA-N 1 3 357.542 3.190 20 0 FGADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000430962961 500313689 /nfs/dbraw/zinc/31/36/89/500313689.db2.gz RIHRFCWRKMGSMG-SFHVURJKSA-N 1 3 365.521 3.294 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC000422905144 500314582 /nfs/dbraw/zinc/31/45/82/500314582.db2.gz RKHLEUFAOHYFBN-MRXNPFEDSA-N 1 3 352.906 3.129 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCNCC2)CCOCC1 ZINC000422905144 500314586 /nfs/dbraw/zinc/31/45/86/500314586.db2.gz RKHLEUFAOHYFBN-MRXNPFEDSA-N 1 3 352.906 3.129 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909313 500315234 /nfs/dbraw/zinc/31/52/34/500315234.db2.gz FPNQMLKJAGLWNO-CVEARBPZSA-N 1 3 372.513 3.028 20 0 FGADHO COc1cccc(OCCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923359 500317969 /nfs/dbraw/zinc/31/79/69/500317969.db2.gz RUKIQQIFMQVXSU-IFMALSPDSA-N 1 3 368.477 3.310 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422927758 500318408 /nfs/dbraw/zinc/31/84/08/500318408.db2.gz GZFQEOOLNLUAMX-INIZCTEOSA-N 1 3 366.509 3.326 20 0 FGADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418780672 500322568 /nfs/dbraw/zinc/32/25/68/500322568.db2.gz YOPKGHFXYGCZDJ-SESVDKBCSA-N 1 3 372.557 3.386 20 0 FGADHO O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)N1Cc2ccccc2C1 ZINC000422956776 500324158 /nfs/dbraw/zinc/32/41/58/500324158.db2.gz LXMHHQSWXBJAOD-PCCBWWKXSA-N 1 3 355.526 3.209 20 0 FGADHO Fc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422960781 500324224 /nfs/dbraw/zinc/32/42/24/500324224.db2.gz XRTGZZXPSFVZLV-AZUAARDMSA-N 1 3 360.404 3.189 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000426821331 500324880 /nfs/dbraw/zinc/32/48/80/500324880.db2.gz RUJDYCFWYIQLJB-QZTJIDSGSA-N 1 3 364.505 3.416 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981872 500326375 /nfs/dbraw/zinc/32/63/75/500326375.db2.gz PLMRZIFOVCTOQC-WZONZLPQSA-N 1 3 367.537 3.261 20 0 FGADHO c1ccc2c(c1)CCC[C@@H]2OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422984193 500327091 /nfs/dbraw/zinc/32/70/91/500327091.db2.gz XKYWRGNRXUFCKU-MBDNFAEBSA-N 1 3 358.526 3.217 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996418 500328343 /nfs/dbraw/zinc/32/83/43/500328343.db2.gz LXQLNDYHDFNHLI-ZENOOKHLSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)c1ccccc1Br ZINC000422996418 500328345 /nfs/dbraw/zinc/32/83/45/500328345.db2.gz LXQLNDYHDFNHLI-ZENOOKHLSA-N 1 3 355.320 3.069 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000431058218 500329619 /nfs/dbraw/zinc/32/96/19/500329619.db2.gz RMQOVOUDRSXPIR-NZSAHSFTSA-N 1 3 363.571 3.374 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076710 500339421 /nfs/dbraw/zinc/33/94/21/500339421.db2.gz RTCXINMEZZZMET-VNQPRFMTSA-N 1 3 358.448 3.155 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)c1 ZINC000423084738 500339792 /nfs/dbraw/zinc/33/97/92/500339792.db2.gz IRBSVBCUMFMHQH-YESZJQIVSA-N 1 3 369.351 3.326 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079702 500340020 /nfs/dbraw/zinc/34/00/20/500340020.db2.gz YQQRDVNUNIJEOH-QGWWYQLQSA-N 1 3 370.459 3.155 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCN1 ZINC000423088125 500340553 /nfs/dbraw/zinc/34/05/53/500340553.db2.gz PNJLRGIHNRJWFG-JLJPHGGASA-N 1 3 352.320 3.148 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112957 500343751 /nfs/dbraw/zinc/34/37/51/500343751.db2.gz SYNSPIBYKWKORW-OWCLPIDISA-N 1 3 363.468 3.220 20 0 FGADHO Fc1ccccc1N1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132250 500346623 /nfs/dbraw/zinc/34/66/23/500346623.db2.gz PCCHXUPOTUHPMR-XWFZLUIHSA-N 1 3 367.468 3.250 20 0 FGADHO FC(F)(F)[C@H](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140734 500348038 /nfs/dbraw/zinc/34/80/38/500348038.db2.gz ZJWLQIJQDYDNAJ-ZJPYXAASSA-N 1 3 356.432 3.469 20 0 FGADHO CC(C)OCCOC1CCN([C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154084 500348942 /nfs/dbraw/zinc/34/89/42/500348942.db2.gz IQXNSLFVRIAATG-IRLDBZIGSA-N 1 3 374.525 3.148 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423218781 500356230 /nfs/dbraw/zinc/35/62/30/500356230.db2.gz WBJFOMHALRYLTK-DZGCQCFKSA-N 1 3 372.294 3.202 20 0 FGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423264079 500359939 /nfs/dbraw/zinc/35/99/39/500359939.db2.gz XZXZRIHROPGVBP-QWHCGFSZSA-N 1 3 358.267 3.332 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280837 500377283 /nfs/dbraw/zinc/37/72/83/500377283.db2.gz MDTMRODQUVUFOT-RXVVDRJESA-N 1 3 371.569 3.355 20 0 FGADHO COc1ccc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1O ZINC000423533738 500383866 /nfs/dbraw/zinc/38/38/66/500383866.db2.gz YJMQCPAYUFCSHK-KRWDZBQOSA-N 1 3 369.509 3.045 20 0 FGADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccccc1I ZINC000423546610 500384186 /nfs/dbraw/zinc/38/41/86/500384186.db2.gz FOLZHCHXBCZCDQ-LBPRGKRZSA-N 1 3 356.251 3.252 20 0 FGADHO COc1cccc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000423578407 500385908 /nfs/dbraw/zinc/38/59/08/500385908.db2.gz UMQOFYKARWPFCZ-SFHVURJKSA-N 1 3 353.510 3.339 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423754502 500399293 /nfs/dbraw/zinc/39/92/93/500399293.db2.gz YROCTJFCQYUIPI-WMZOPIPTSA-N 1 3 351.922 3.138 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775579 500400909 /nfs/dbraw/zinc/40/09/09/500400909.db2.gz MJUPIAKBWXHONP-ZWKOTPCHSA-N 1 3 351.494 3.443 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000431700442 500411105 /nfs/dbraw/zinc/41/11/05/500411105.db2.gz VGTNIQBDYATOSI-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299922 500436614 /nfs/dbraw/zinc/43/66/14/500436614.db2.gz JRPUGBVJZBACER-KNQAVFIVSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299922 500436616 /nfs/dbraw/zinc/43/66/16/500436616.db2.gz JRPUGBVJZBACER-KNQAVFIVSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301792 500437546 /nfs/dbraw/zinc/43/75/46/500437546.db2.gz JEWYWUZMOHXZJQ-GOSISDBHSA-N 1 3 358.482 3.195 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301792 500437547 /nfs/dbraw/zinc/43/75/47/500437547.db2.gz JEWYWUZMOHXZJQ-GOSISDBHSA-N 1 3 358.482 3.195 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431893537 500439959 /nfs/dbraw/zinc/43/99/59/500439959.db2.gz GOJNAJVLEFFGRJ-NRFANRHFSA-N 1 3 357.542 3.074 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431893537 500439963 /nfs/dbraw/zinc/43/99/63/500439963.db2.gz GOJNAJVLEFFGRJ-NRFANRHFSA-N 1 3 357.542 3.074 20 0 FGADHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330692 500442518 /nfs/dbraw/zinc/44/25/18/500442518.db2.gz BEMFHGNDUXRMJF-NEWSRXKRSA-N 1 3 351.494 3.488 20 0 FGADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359861 500447836 /nfs/dbraw/zinc/44/78/36/500447836.db2.gz KQERIMNSYAYHJT-FQEVSTJZSA-N 1 3 365.521 3.260 20 0 FGADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359861 500447838 /nfs/dbraw/zinc/44/78/38/500447838.db2.gz KQERIMNSYAYHJT-FQEVSTJZSA-N 1 3 365.521 3.260 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381535 500451829 /nfs/dbraw/zinc/45/18/29/500451829.db2.gz XPEUGZVLWDMZQK-LJQANCHMSA-N 1 3 353.510 3.338 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379920 500452066 /nfs/dbraw/zinc/45/20/66/500452066.db2.gz BOKVQWIGHCLFSO-SESVDKBCSA-N 1 3 355.526 3.034 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421314 500458270 /nfs/dbraw/zinc/45/82/70/500458270.db2.gz YQPHKLVTTJYFEW-QFBILLFUSA-N 1 3 350.466 3.274 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000420421314 500458272 /nfs/dbraw/zinc/45/82/72/500458272.db2.gz YQPHKLVTTJYFEW-QFBILLFUSA-N 1 3 350.466 3.274 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccccc1F ZINC000570564356 506196832 /nfs/dbraw/zinc/19/68/32/506196832.db2.gz NCUOWNUYEWYZCR-IBGZPJMESA-N 1 3 360.473 3.195 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccccc1F ZINC000570564356 506196836 /nfs/dbraw/zinc/19/68/36/506196836.db2.gz NCUOWNUYEWYZCR-IBGZPJMESA-N 1 3 360.473 3.195 20 0 FGADHO C[C@H]1CC2(CN1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285988 500481186 /nfs/dbraw/zinc/48/11/86/500481186.db2.gz GPHOZNHVLJOXDE-INIZCTEOSA-N 1 3 368.500 3.464 20 0 FGADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000424336351 500488173 /nfs/dbraw/zinc/48/81/73/500488173.db2.gz QCKLJUKZJQATQM-SJBKTWHCSA-N 1 3 369.484 3.233 20 0 FGADHO CN1CCN(CC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357150 500490991 /nfs/dbraw/zinc/49/09/91/500490991.db2.gz WCMDHOMNDNBIQK-GOSISDBHSA-N 1 3 358.555 3.043 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427511 500503240 /nfs/dbraw/zinc/50/32/40/500503240.db2.gz PRRUDEXAORDZES-JXFKEZNVSA-N 1 3 352.482 3.096 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420813659 500508032 /nfs/dbraw/zinc/50/80/32/500508032.db2.gz YMLPVOGKYTVSBG-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420813659 500508035 /nfs/dbraw/zinc/50/80/35/500508035.db2.gz YMLPVOGKYTVSBG-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000573482082 506201683 /nfs/dbraw/zinc/20/16/83/506201683.db2.gz FDTVDSXEMGPWIQ-RXVVDRJESA-N 1 3 370.541 3.065 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc(Cl)c3)CC2)CC1 ZINC000421018844 500555605 /nfs/dbraw/zinc/55/56/05/500555605.db2.gz XGLZBHDBUAAGPW-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCOc3cccc(Cl)c3)CC2)CC1 ZINC000421018844 500555607 /nfs/dbraw/zinc/55/56/07/500555607.db2.gz XGLZBHDBUAAGPW-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO CC[NH+]1CCC(N2CCCN(CCOc3cccc(Cl)c3)CC2)CC1 ZINC000421018844 500555611 /nfs/dbraw/zinc/55/56/11/500555611.db2.gz XGLZBHDBUAAGPW-UHFFFAOYSA-N 1 3 365.949 3.211 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625768 500605643 /nfs/dbraw/zinc/60/56/43/500605643.db2.gz OXOCPLRBKYUSDW-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625768 500605646 /nfs/dbraw/zinc/60/56/46/500605646.db2.gz OXOCPLRBKYUSDW-OALUTQOASA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528253 500618039 /nfs/dbraw/zinc/61/80/39/500618039.db2.gz IGTYNURTHLBQNE-RTWAWAEBSA-N 1 3 357.542 3.403 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCS2 ZINC000442869577 500637222 /nfs/dbraw/zinc/63/72/22/500637222.db2.gz DSDUSVMUWLUQNM-GOSISDBHSA-N 1 3 363.571 3.238 20 0 FGADHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442878612 500638723 /nfs/dbraw/zinc/63/87/23/500638723.db2.gz ZJJGRWAFISJUCL-GOSISDBHSA-N 1 3 374.573 3.143 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064950 500672781 /nfs/dbraw/zinc/67/27/81/500672781.db2.gz ZCJTZXWZRQBSIT-RBBKRZOGSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433567996 500713799 /nfs/dbraw/zinc/71/37/99/500713799.db2.gz KBKBNRZABGUDDW-GGPKGHCWSA-N 1 3 364.578 3.061 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720975 /nfs/dbraw/zinc/72/09/75/500720975.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720976 /nfs/dbraw/zinc/72/09/76/500720976.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740600 /nfs/dbraw/zinc/74/06/00/500740600.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 1 3 358.448 3.271 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740604 /nfs/dbraw/zinc/74/06/04/500740604.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 1 3 358.448 3.271 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000570710422 506214860 /nfs/dbraw/zinc/21/48/60/506214860.db2.gz ZTLIRGDSUWHROT-DLBZAZTESA-N 1 3 354.922 3.098 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742365 506216229 /nfs/dbraw/zinc/21/62/29/506216229.db2.gz GGANWMZBYBQDKH-HSQYWUDLSA-N 1 3 365.521 3.260 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449010703 500896048 /nfs/dbraw/zinc/89/60/48/500896048.db2.gz MUDHYRLRAAWVIL-UHFFFAOYSA-N 1 3 356.514 3.435 20 0 FGADHO CSc1ccc([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000439467959 500900887 /nfs/dbraw/zinc/90/08/87/500900887.db2.gz JRFMHUDJVKNKQQ-OXQOHEQNSA-N 1 3 371.550 3.478 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037460 500907266 /nfs/dbraw/zinc/90/72/66/500907266.db2.gz NIDUIXBYPRHZTG-FQEVSTJZSA-N 1 3 374.504 3.159 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)N2CCCCC2)CC1 ZINC000449089872 500922100 /nfs/dbraw/zinc/92/21/00/500922100.db2.gz LNIFKMMPGIRPFT-IBGZPJMESA-N 1 3 357.542 3.074 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@@H](C)O1 ZINC000449100153 500925195 /nfs/dbraw/zinc/92/51/95/500925195.db2.gz AWEZGGHHQXGYQZ-QZTJIDSGSA-N 1 3 362.514 3.217 20 0 FGADHO COc1cccc2c(C[NH2+]C3CCN(C4CCN(C)CC4)CC3)cccc12 ZINC000449106979 500926597 /nfs/dbraw/zinc/92/65/97/500926597.db2.gz KJXHRETWUYBEAD-UHFFFAOYSA-N 1 3 367.537 3.497 20 0 FGADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145482 500934702 /nfs/dbraw/zinc/93/47/02/500934702.db2.gz LKQHEMSJLBPTMY-LEWJYISDSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000449204776 500947570 /nfs/dbraw/zinc/94/75/70/500947570.db2.gz JNNJRZWYZCSLLW-MBSDFSHPSA-N 1 3 370.512 3.414 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449218314 500950791 /nfs/dbraw/zinc/95/07/91/500950791.db2.gz HEOGDZDXHOPNJT-UHFFFAOYSA-N 1 3 372.582 3.046 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345440 500982683 /nfs/dbraw/zinc/98/26/83/500982683.db2.gz VNGQRBSRRGYBNJ-XMSQKQJNSA-N 1 3 365.521 3.288 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000449398579 500994314 /nfs/dbraw/zinc/99/43/14/500994314.db2.gz VQGGKWHBGMQKBL-LJQANCHMSA-N 1 3 353.595 3.102 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000449486447 501014801 /nfs/dbraw/zinc/01/48/01/501014801.db2.gz SHXLWVOEAPUOTO-ROUUACIJSA-N 1 3 362.514 3.252 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000449486447 501014804 /nfs/dbraw/zinc/01/48/04/501014804.db2.gz SHXLWVOEAPUOTO-ROUUACIJSA-N 1 3 362.514 3.252 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592576 501039782 /nfs/dbraw/zinc/03/97/82/501039782.db2.gz ODHNAWRGWYUXGR-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@H](c4ccnn4C)C3)CC2)C1 ZINC000449592576 501039787 /nfs/dbraw/zinc/03/97/87/501039787.db2.gz ODHNAWRGWYUXGR-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[NH+](C)CCOc1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1 ZINC000436273712 501099705 /nfs/dbraw/zinc/09/97/05/501099705.db2.gz JXLFJWJDBQIJOU-UHFFFAOYSA-N 1 3 356.495 3.368 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000436289251 501102285 /nfs/dbraw/zinc/10/22/85/501102285.db2.gz MJWFMOMCXHQVGZ-UHFFFAOYSA-N 1 3 368.525 3.091 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000436304170 501104905 /nfs/dbraw/zinc/10/49/05/501104905.db2.gz CZHTVIMZROYFNT-YMQHIKHWSA-N 1 3 356.510 3.218 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141616 /nfs/dbraw/zinc/14/16/16/501141616.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 1 3 369.553 3.294 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141618 /nfs/dbraw/zinc/14/16/18/501141618.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 1 3 369.553 3.294 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066101 501199763 /nfs/dbraw/zinc/19/97/63/501199763.db2.gz JLWBWWVREFGAIW-RLLQIKCJSA-N 1 3 359.562 3.022 20 0 FGADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccncn1 ZINC000453138411 501277127 /nfs/dbraw/zinc/27/71/27/501277127.db2.gz RANNDVXQTBAGJV-GOSISDBHSA-N 1 3 354.498 3.199 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000457678956 501285220 /nfs/dbraw/zinc/28/52/20/501285220.db2.gz USCNSALWVVCEEF-JOCHJYFZSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000453196997 501289020 /nfs/dbraw/zinc/28/90/20/501289020.db2.gz MPKROEZHZMFDEU-GCJKJVERSA-N 1 3 353.510 3.149 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134069 501377454 /nfs/dbraw/zinc/37/74/54/501377454.db2.gz HSSYSTILSKRQMI-RTWAWAEBSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134069 501377456 /nfs/dbraw/zinc/37/74/56/501377456.db2.gz HSSYSTILSKRQMI-RTWAWAEBSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)C ZINC000458788367 501531673 /nfs/dbraw/zinc/53/16/73/501531673.db2.gz XYQBGUSALKYHCA-LAUBAEHRSA-N 1 3 372.557 3.302 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458926184 501560322 /nfs/dbraw/zinc/56/03/22/501560322.db2.gz CKJGYRXBZASBFZ-FQEVSTJZSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363556 501639959 /nfs/dbraw/zinc/63/99/59/501639959.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 1 3 369.553 3.360 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363556 501639960 /nfs/dbraw/zinc/63/99/60/501639960.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 1 3 369.553 3.360 20 0 FGADHO COc1cccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000459405989 501647964 /nfs/dbraw/zinc/64/79/64/501647964.db2.gz GAGZDUNJWCIAPO-LJQANCHMSA-N 1 3 366.509 3.318 20 0 FGADHO COC1CCN(C2(C[NH2+]C3CCN(c4ccncc4)CC3)CCCC2)CC1 ZINC000459443960 501655157 /nfs/dbraw/zinc/65/51/57/501655157.db2.gz LHWVBHWRFJGARK-UHFFFAOYSA-N 1 3 372.557 3.064 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459532938 501671283 /nfs/dbraw/zinc/67/12/83/501671283.db2.gz DUELOCBJPSJZFR-JOCHJYFZSA-N 1 3 373.585 3.286 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000459554908 501675725 /nfs/dbraw/zinc/67/57/25/501675725.db2.gz DMHABLMEXRPQEC-UHFFFAOYSA-N 1 3 369.553 3.378 20 0 FGADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000459566617 501678095 /nfs/dbraw/zinc/67/80/95/501678095.db2.gz HOLRQDHNZHRLRA-IRXDYDNUSA-N 1 3 364.493 3.006 20 0 FGADHO COc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727081 501704945 /nfs/dbraw/zinc/70/49/45/501704945.db2.gz CEKGIVZFCPWLDN-SFHVURJKSA-N 1 3 369.509 3.491 20 0 FGADHO COc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727081 501704948 /nfs/dbraw/zinc/70/49/48/501704948.db2.gz CEKGIVZFCPWLDN-SFHVURJKSA-N 1 3 369.509 3.491 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000598994391 506268564 /nfs/dbraw/zinc/26/85/64/506268564.db2.gz MAYJKJDVITWTJG-AWEZNQCLSA-N 1 3 358.267 3.113 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173301 501729686 /nfs/dbraw/zinc/72/96/86/501729686.db2.gz GAQPSSNATFZPNY-FNOBOGDDSA-N 1 3 370.541 3.138 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292385 501735411 /nfs/dbraw/zinc/73/54/11/501735411.db2.gz MYENAVHKMQAQQG-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292385 501735416 /nfs/dbraw/zinc/73/54/16/501735416.db2.gz MYENAVHKMQAQQG-KRWDZBQOSA-N 1 3 351.922 3.137 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000477609634 501737488 /nfs/dbraw/zinc/73/74/88/501737488.db2.gz WKAPXJWGDYQRON-QGZVFWFLSA-N 1 3 360.546 3.322 20 0 FGADHO CCN(CC)Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474297653 501781047 /nfs/dbraw/zinc/78/10/47/501781047.db2.gz DWPPRXIZBIIQDU-UHFFFAOYSA-N 1 3 351.494 3.469 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H]1C ZINC000463736423 501806251 /nfs/dbraw/zinc/80/62/51/501806251.db2.gz OQUBGGOTEIZTNO-DBXWQHBBSA-N 1 3 357.542 3.427 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884689 501819709 /nfs/dbraw/zinc/81/97/09/501819709.db2.gz WZZNROWQWKNNRM-AEFFLSMTSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479901 501833134 /nfs/dbraw/zinc/83/31/34/501833134.db2.gz WZZYCIHVWHPIKD-RTBURBONSA-N 1 3 357.542 3.278 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000485484020 501834276 /nfs/dbraw/zinc/83/42/76/501834276.db2.gz ZJLTVSFPNAHASK-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO C[NH+](C)CC1(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000460511042 501844649 /nfs/dbraw/zinc/84/46/49/501844649.db2.gz SYHYWGYIGZULHY-HXUWFJFHSA-N 1 3 357.542 3.452 20 0 FGADHO CCN1CC[NH+](CCCCN[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749569 501859767 /nfs/dbraw/zinc/85/97/67/501859767.db2.gz OZLPRFPPVXEVRS-ZDUSSCGKSA-N 1 3 364.481 3.230 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(OC)cc1 ZINC000482113468 501978587 /nfs/dbraw/zinc/97/85/87/501978587.db2.gz JEERMVYCROUYMY-QFIPXVFZSA-N 1 3 368.525 3.343 20 0 FGADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482117914 501980054 /nfs/dbraw/zinc/98/00/54/501980054.db2.gz CVSBOVRHDATCDJ-OAQYLSRUSA-N 1 3 366.509 3.097 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475097820 502057671 /nfs/dbraw/zinc/05/76/71/502057671.db2.gz QYHPKFPBBMUYHE-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@]1(C)CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781466 502093482 /nfs/dbraw/zinc/09/34/82/502093482.db2.gz VKRZGFURSCTXBS-QFIPXVFZSA-N 1 3 357.542 3.411 20 0 FGADHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000482548077 502107883 /nfs/dbraw/zinc/10/78/83/502107883.db2.gz MAGKVGUVXHFZCR-IBGZPJMESA-N 1 3 374.573 3.144 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000461729931 502182236 /nfs/dbraw/zinc/18/22/36/502182236.db2.gz QKIYNSQDTQDIJH-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479217271 502194924 /nfs/dbraw/zinc/19/49/24/502194924.db2.gz ABDYKOAFHRDVIP-FQEVSTJZSA-N 1 3 357.473 3.026 20 0 FGADHO CCN(CC)[C@H](CNC1CC[NH+](CCOC)CC1)c1ccccc1Cl ZINC000461796102 502205348 /nfs/dbraw/zinc/20/53/48/502205348.db2.gz NATIQEJJWQRQPD-HXUWFJFHSA-N 1 3 367.965 3.423 20 0 FGADHO CCn1nc(CNCCc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000472071266 502220054 /nfs/dbraw/zinc/22/00/54/502220054.db2.gz BAKKDLNBOHUTGJ-UHFFFAOYSA-N 1 3 366.509 3.329 20 0 FGADHO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000465395781 502249167 /nfs/dbraw/zinc/24/91/67/502249167.db2.gz AHZYLBPPUXBDSD-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419385 502256096 /nfs/dbraw/zinc/25/60/96/502256096.db2.gz AVRZETKTGKNSGD-WOJBJXKFSA-N 1 3 360.546 3.195 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccccc1 ZINC000465419383 502256109 /nfs/dbraw/zinc/25/61/09/502256109.db2.gz AVRZETKTGKNSGD-UXHICEINSA-N 1 3 360.546 3.195 20 0 FGADHO CCCCNC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730878 502268600 /nfs/dbraw/zinc/26/86/00/502268600.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 1 3 357.542 3.281 20 0 FGADHO CCCCNC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730878 502268602 /nfs/dbraw/zinc/26/86/02/502268602.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 1 3 357.542 3.281 20 0 FGADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)CC1CCC1 ZINC000483123588 502281332 /nfs/dbraw/zinc/28/13/32/502281332.db2.gz SMPFYIZEBWLFSI-UHFFFAOYSA-N 1 3 357.542 3.151 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000465559807 502308047 /nfs/dbraw/zinc/30/80/47/502308047.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCN1C ZINC000465559807 502308055 /nfs/dbraw/zinc/30/80/55/502308055.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 1 3 372.557 3.343 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462122285 502313745 /nfs/dbraw/zinc/31/37/45/502313745.db2.gz SEIDLOMIYGCYIU-QFIPXVFZSA-N 1 3 352.522 3.277 20 0 FGADHO O=C(N[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682009 502342899 /nfs/dbraw/zinc/34/28/99/502342899.db2.gz DMOPVWSNBKYCDF-GOSISDBHSA-N 1 3 355.482 3.017 20 0 FGADHO CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472475100 502363407 /nfs/dbraw/zinc/36/34/07/502363407.db2.gz FGHNYIDQGQJVEJ-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@H+](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396925 /nfs/dbraw/zinc/39/69/25/502396925.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396930 /nfs/dbraw/zinc/39/69/30/502396930.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 1 3 360.546 3.023 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465939351 502433864 /nfs/dbraw/zinc/43/38/64/502433864.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465939351 502433871 /nfs/dbraw/zinc/43/38/71/502433871.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000465991239 502448544 /nfs/dbraw/zinc/44/85/44/502448544.db2.gz ZJJFNKAYPFOUPZ-QYZOEREBSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000465991239 502448549 /nfs/dbraw/zinc/44/85/49/502448549.db2.gz ZJJFNKAYPFOUPZ-QYZOEREBSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460074 /nfs/dbraw/zinc/46/00/74/502460074.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460077 /nfs/dbraw/zinc/46/00/77/502460077.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000480166070 502489219 /nfs/dbraw/zinc/48/92/19/502489219.db2.gz AVGKKEOHGDULSB-LJQANCHMSA-N 1 3 361.530 3.070 20 0 FGADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000476487024 502502929 /nfs/dbraw/zinc/50/29/29/502502929.db2.gz JYKIKMRMYBPFSI-OAQYLSRUSA-N 1 3 370.541 3.051 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000466295819 502530227 /nfs/dbraw/zinc/53/02/27/502530227.db2.gz HHKZHKTYTYRSRG-IBGZPJMESA-N 1 3 374.529 3.013 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000466295819 502530231 /nfs/dbraw/zinc/53/02/31/502530231.db2.gz HHKZHKTYTYRSRG-IBGZPJMESA-N 1 3 374.529 3.013 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462721429 502548540 /nfs/dbraw/zinc/54/85/40/502548540.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462721429 502548544 /nfs/dbraw/zinc/54/85/44/502548544.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748017 502556101 /nfs/dbraw/zinc/55/61/01/502556101.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748017 502556104 /nfs/dbraw/zinc/55/61/04/502556104.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396950 502557983 /nfs/dbraw/zinc/55/79/83/502557983.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396950 502557987 /nfs/dbraw/zinc/55/79/87/502557987.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894080 502559157 /nfs/dbraw/zinc/55/91/57/502559157.db2.gz HOIJKVKNYJRVDH-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894080 502559159 /nfs/dbraw/zinc/55/91/59/502559159.db2.gz HOIJKVKNYJRVDH-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CN1Cc1ccccc1 ZINC000466421342 502566588 /nfs/dbraw/zinc/56/65/88/502566588.db2.gz DGIDSIDAPKSWMG-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605206 /nfs/dbraw/zinc/60/52/06/502605206.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 1 3 365.521 3.330 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605212 /nfs/dbraw/zinc/60/52/12/502605212.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 1 3 365.521 3.330 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462888605 502615776 /nfs/dbraw/zinc/61/57/76/502615776.db2.gz OVPIMXYMVLMAGD-GOSISDBHSA-N 1 3 365.477 3.019 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462888605 502615783 /nfs/dbraw/zinc/61/57/83/502615783.db2.gz OVPIMXYMVLMAGD-GOSISDBHSA-N 1 3 365.477 3.019 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609546 502619187 /nfs/dbraw/zinc/61/91/87/502619187.db2.gz LPDNTNBEILAVCS-SJORKVTESA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609546 502619195 /nfs/dbraw/zinc/61/91/95/502619195.db2.gz LPDNTNBEILAVCS-SJORKVTESA-N 1 3 367.559 3.363 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000462911268 502624137 /nfs/dbraw/zinc/62/41/37/502624137.db2.gz KWXAYCZKUGJTNX-UHFFFAOYSA-N 1 3 363.546 3.454 20 0 FGADHO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000484345880 502630329 /nfs/dbraw/zinc/63/03/29/502630329.db2.gz WWHSUDCWHBARFR-QFBILLFUSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CCN1Cc1ccccc1 ZINC000476989304 502644010 /nfs/dbraw/zinc/64/40/10/502644010.db2.gz MBKNEORUTNSIFG-CTNGQTDRSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC000473579923 502644386 /nfs/dbraw/zinc/64/43/86/502644386.db2.gz YXGSODIUWPRUEG-BDTNDASRSA-N 1 3 369.553 3.087 20 0 FGADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCC1 ZINC000473579923 502644388 /nfs/dbraw/zinc/64/43/88/502644388.db2.gz YXGSODIUWPRUEG-BDTNDASRSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034914 502655498 /nfs/dbraw/zinc/65/54/98/502655498.db2.gz PWMVCQYYOGXBRE-WOJBJXKFSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034914 502655503 /nfs/dbraw/zinc/65/55/03/502655503.db2.gz PWMVCQYYOGXBRE-WOJBJXKFSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034912 502655588 /nfs/dbraw/zinc/65/55/88/502655588.db2.gz PWMVCQYYOGXBRE-PMACEKPBSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034912 502655590 /nfs/dbraw/zinc/65/55/90/502655590.db2.gz PWMVCQYYOGXBRE-PMACEKPBSA-N 1 3 369.553 3.374 20 0 FGADHO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000480903347 502701230 /nfs/dbraw/zinc/70/12/30/502701230.db2.gz DFRMZIZSRKFLHZ-QFIPXVFZSA-N 1 3 365.521 3.220 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000488390282 502701329 /nfs/dbraw/zinc/70/13/29/502701329.db2.gz LWVRRKHTTBFTTO-OAQYLSRUSA-N 1 3 362.558 3.405 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420489 502711166 /nfs/dbraw/zinc/71/11/66/502711166.db2.gz WIJNITZAIGQTRB-PMACEKPBSA-N 1 3 361.599 3.444 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740440 /nfs/dbraw/zinc/74/04/40/502740440.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740443 /nfs/dbraw/zinc/74/04/43/502740443.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 1 3 372.557 3.021 20 0 FGADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481137758 502763420 /nfs/dbraw/zinc/76/34/20/502763420.db2.gz HMCDLRWRCRXBDS-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000481187185 502777571 /nfs/dbraw/zinc/77/75/71/502777571.db2.gz FKPNARPFKTVTTO-ZVDOUQERSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000481187185 502777574 /nfs/dbraw/zinc/77/75/74/502777574.db2.gz FKPNARPFKTVTTO-ZVDOUQERSA-N 1 3 359.558 3.164 20 0 FGADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343929 502891062 /nfs/dbraw/zinc/89/10/62/502891062.db2.gz NBXXNHRFWOFVPF-PZJWPPBQSA-N 1 3 359.558 3.445 20 0 FGADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343929 502891064 /nfs/dbraw/zinc/89/10/64/502891064.db2.gz NBXXNHRFWOFVPF-PZJWPPBQSA-N 1 3 359.558 3.445 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccccc2Cl)CC1 ZINC000500936052 502895515 /nfs/dbraw/zinc/89/55/15/502895515.db2.gz GNTCEESEXSCWRB-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccccc2Cl)CC1 ZINC000500936052 502895517 /nfs/dbraw/zinc/89/55/17/502895517.db2.gz GNTCEESEXSCWRB-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO Cc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)ccc1Br ZINC000500985928 502906257 /nfs/dbraw/zinc/90/62/57/502906257.db2.gz RQUHSYWOWSPPPQ-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO Cc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1Br ZINC000500985928 502906261 /nfs/dbraw/zinc/90/62/61/502906261.db2.gz RQUHSYWOWSPPPQ-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1Br ZINC000500985928 502906266 /nfs/dbraw/zinc/90/62/66/502906266.db2.gz RQUHSYWOWSPPPQ-UHFFFAOYSA-N 1 3 368.363 3.215 20 0 FGADHO COc1ccccc1OCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501046794 502921345 /nfs/dbraw/zinc/92/13/45/502921345.db2.gz NCKWAZWIMGFSOL-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO COc1ccccc1OCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501046794 502921348 /nfs/dbraw/zinc/92/13/48/502921348.db2.gz NCKWAZWIMGFSOL-UHFFFAOYSA-N 1 3 355.482 3.317 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054755 502922985 /nfs/dbraw/zinc/92/29/85/502922985.db2.gz VBGWNIADWICTEV-DBXWQHBBSA-N 1 3 372.557 3.313 20 0 FGADHO C[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CCN(c2ccncc2)CC1 ZINC000501056083 502923787 /nfs/dbraw/zinc/92/37/87/502923787.db2.gz VKNLBTGATOTSNP-UHFFFAOYSA-N 1 3 353.466 3.201 20 0 FGADHO C[N@H+](Cc1ccc2c(c1)OCCO2)CC1CCN(c2ccncc2)CC1 ZINC000501056083 502923791 /nfs/dbraw/zinc/92/37/91/502923791.db2.gz VKNLBTGATOTSNP-UHFFFAOYSA-N 1 3 353.466 3.201 20 0 FGADHO C[C@H](C(=O)N(C)c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063281 502925411 /nfs/dbraw/zinc/92/54/11/502925411.db2.gz NFLCHDZYVHHQRX-GOSISDBHSA-N 1 3 366.509 3.281 20 0 FGADHO C/C=C/c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000497393892 502947206 /nfs/dbraw/zinc/94/72/06/502947206.db2.gz UBZXDYDEYKYWSC-ONEGZZNKSA-N 1 3 356.514 3.400 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[C@@H]3C[NH+]3CCCCC3)CC2)cc1 ZINC000509673407 502964686 /nfs/dbraw/zinc/96/46/86/502964686.db2.gz OLKHCIXQOGEGMP-HSZRJFAPSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCC[N@@H+]3CCC[C@@H]3CN3CCCCC3)CC2)cc1 ZINC000509673407 502964691 /nfs/dbraw/zinc/96/46/91/502964691.db2.gz OLKHCIXQOGEGMP-HSZRJFAPSA-N 1 3 370.585 3.149 20 0 FGADHO c1ccc(N2CCN(CCC[N@H+]3CCC[C@@H]3CN3CCCCC3)CC2)cc1 ZINC000509673407 502964695 /nfs/dbraw/zinc/96/46/95/502964695.db2.gz OLKHCIXQOGEGMP-HSZRJFAPSA-N 1 3 370.585 3.149 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513673507 502997348 /nfs/dbraw/zinc/99/73/48/502997348.db2.gz SMDFSZILBPXABR-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513673507 502997353 /nfs/dbraw/zinc/99/73/53/502997353.db2.gz SMDFSZILBPXABR-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513673507 502997358 /nfs/dbraw/zinc/99/73/58/502997358.db2.gz SMDFSZILBPXABR-ULQDDVLXSA-N 1 3 353.304 3.290 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760204 503017543 /nfs/dbraw/zinc/01/75/43/503017543.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760204 503017548 /nfs/dbraw/zinc/01/75/48/503017548.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760204 503017549 /nfs/dbraw/zinc/01/75/49/503017549.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 1 3 357.542 3.295 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501533222 503031093 /nfs/dbraw/zinc/03/10/93/503031093.db2.gz IOIRDLURYAQZKZ-VNTMZGSJSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501533222 503031099 /nfs/dbraw/zinc/03/10/99/503031099.db2.gz IOIRDLURYAQZKZ-VNTMZGSJSA-N 1 3 366.594 3.164 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861512 503051224 /nfs/dbraw/zinc/05/12/24/503051224.db2.gz OJZZYGKEWVDAKL-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057083 /nfs/dbraw/zinc/05/70/83/503057083.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057086 /nfs/dbraw/zinc/05/70/86/503057086.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 1 3 372.557 3.023 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260144 503080904 /nfs/dbraw/zinc/08/09/04/503080904.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260144 503080906 /nfs/dbraw/zinc/08/09/06/503080906.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 1 3 357.542 3.278 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501795955 503081359 /nfs/dbraw/zinc/08/13/59/503081359.db2.gz GTGMIIMEQZRCQY-OAQYLSRUSA-N 1 3 372.557 3.435 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514133889 503095484 /nfs/dbraw/zinc/09/54/84/503095484.db2.gz DUTDSLFGRPKKTN-PZJWPPBQSA-N 1 3 374.573 3.409 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514133889 503095487 /nfs/dbraw/zinc/09/54/87/503095487.db2.gz DUTDSLFGRPKKTN-PZJWPPBQSA-N 1 3 374.573 3.409 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000514202305 503111247 /nfs/dbraw/zinc/11/12/47/503111247.db2.gz VOHIECDSZYSVRJ-IAGOWNOFSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000514245434 503124196 /nfs/dbraw/zinc/12/41/96/503124196.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000514245434 503124201 /nfs/dbraw/zinc/12/42/01/503124201.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)CN(C(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCN(C)CC1 ZINC000582666969 506355201 /nfs/dbraw/zinc/35/52/01/506355201.db2.gz MWMRGEUOPMBWSI-UHFFFAOYSA-N 1 3 370.541 3.183 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000514783828 503192069 /nfs/dbraw/zinc/19/20/69/503192069.db2.gz DTNBVGCOWLJXEL-YLJYHZDGSA-N 1 3 358.530 3.084 20 0 FGADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000510980978 503229161 /nfs/dbraw/zinc/22/91/61/503229161.db2.gz RGRTXMSXHGGRQZ-BHDDXSALSA-N 1 3 352.526 3.472 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000498705300 503242720 /nfs/dbraw/zinc/24/27/20/503242720.db2.gz ORNLMUIWTUMJHC-AZUAARDMSA-N 1 3 362.562 3.486 20 0 FGADHO C[C@@H]1CN(CCOc2ccc3ccccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491023196 503261840 /nfs/dbraw/zinc/26/18/40/503261840.db2.gz URSZMMCTIZZHTD-XXBNENTESA-N 1 3 367.537 3.176 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](C)N(C)C2CC2)CCCC1)c1ccccc1 ZINC000502797496 503274838 /nfs/dbraw/zinc/27/48/38/503274838.db2.gz YMNMAOJZTNEEGV-ZWKOTPCHSA-N 1 3 372.557 3.432 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352496 503321603 /nfs/dbraw/zinc/32/16/03/503321603.db2.gz FIJLJRRGCCULDS-FQEVSTJZSA-N 1 3 371.500 3.085 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000503110772 503349355 /nfs/dbraw/zinc/34/93/55/503349355.db2.gz MMTPOIZMRRHMFN-PKOBYXMFSA-N 1 3 360.546 3.099 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390458 503399665 /nfs/dbraw/zinc/39/96/65/503399665.db2.gz LTOJHBJAWWLAGC-LZLYRXPVSA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390458 503399669 /nfs/dbraw/zinc/39/96/69/503399669.db2.gz LTOJHBJAWWLAGC-LZLYRXPVSA-N 1 3 364.534 3.128 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511855843 503401494 /nfs/dbraw/zinc/40/14/94/503401494.db2.gz RCYNHHYOIGWRFM-YPAWHYETSA-N 1 3 369.553 3.244 20 0 FGADHO Cc1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)sc1Br ZINC000512066661 503448964 /nfs/dbraw/zinc/44/89/64/503448964.db2.gz GZGHBKWGECMKIP-ZDUSSCGKSA-N 1 3 374.392 3.496 20 0 FGADHO CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000499660084 503452064 /nfs/dbraw/zinc/45/20/64/503452064.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 1 3 357.542 3.374 20 0 FGADHO CN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000499660084 503452065 /nfs/dbraw/zinc/45/20/65/503452065.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516155324 503457277 /nfs/dbraw/zinc/45/72/77/503457277.db2.gz LTNLXZPMEFYQLA-KNQAVFIVSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503691074 503460133 /nfs/dbraw/zinc/46/01/33/503460133.db2.gz VATPLTZJENYRIS-GOSISDBHSA-N 1 3 362.562 3.345 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000503905573 503486374 /nfs/dbraw/zinc/48/63/74/503486374.db2.gz CCYNAJYRFPMCGB-IBGZPJMESA-N 1 3 362.562 3.267 20 0 FGADHO O[C@H](COc1ccccc1)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244433 503496345 /nfs/dbraw/zinc/49/63/45/503496345.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 1 3 366.505 3.024 20 0 FGADHO O[C@H](COc1ccccc1)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244433 503496350 /nfs/dbraw/zinc/49/63/50/503496350.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 1 3 366.505 3.024 20 0 FGADHO O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244430 503496641 /nfs/dbraw/zinc/49/66/41/503496641.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 1 3 366.505 3.024 20 0 FGADHO O[C@@H](COc1ccccc1)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512244430 503496644 /nfs/dbraw/zinc/49/66/44/503496644.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 1 3 366.505 3.024 20 0 FGADHO CC(C)[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCCCC1 ZINC000504188561 503536679 /nfs/dbraw/zinc/53/66/79/503536679.db2.gz NESDDHQWMYCMNG-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508693742 503544828 /nfs/dbraw/zinc/54/48/28/503544828.db2.gz BJQXSLDCWAVDJZ-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693742 503544834 /nfs/dbraw/zinc/54/48/34/503544834.db2.gz BJQXSLDCWAVDJZ-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693742 503544837 /nfs/dbraw/zinc/54/48/37/503544837.db2.gz BJQXSLDCWAVDJZ-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C)CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422850 503545587 /nfs/dbraw/zinc/54/55/87/503545587.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C)CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422850 503545591 /nfs/dbraw/zinc/54/55/91/503545591.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508714572 503549254 /nfs/dbraw/zinc/54/92/54/503549254.db2.gz BVNDZOYLWNRDRP-IEBWSBKVSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H](NCCOc1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714572 503549258 /nfs/dbraw/zinc/54/92/58/503549258.db2.gz BVNDZOYLWNRDRP-IEBWSBKVSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H](NCCOc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714572 503549261 /nfs/dbraw/zinc/54/92/61/503549261.db2.gz BVNDZOYLWNRDRP-IEBWSBKVSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000500103500 503554825 /nfs/dbraw/zinc/55/48/25/503554825.db2.gz TVVAGYZLDZZTSY-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000500103500 503554826 /nfs/dbraw/zinc/55/48/26/503554826.db2.gz TVVAGYZLDZZTSY-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504324422 503556310 /nfs/dbraw/zinc/55/63/10/503556310.db2.gz LCHVJACXGXFRBU-LEWJYISDSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504324422 503556313 /nfs/dbraw/zinc/55/63/13/503556313.db2.gz LCHVJACXGXFRBU-LEWJYISDSA-N 1 3 370.541 3.099 20 0 FGADHO CN(CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000516713747 503574861 /nfs/dbraw/zinc/57/48/61/503574861.db2.gz IVWHSVZAIUAUCA-UHFFFAOYSA-N 1 3 351.494 3.144 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508850113 503577432 /nfs/dbraw/zinc/57/74/32/503577432.db2.gz DXPGHFDPLPFXDF-TYPHKJRUSA-N 1 3 372.557 3.338 20 0 FGADHO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000494638108 503579799 /nfs/dbraw/zinc/57/97/99/503579799.db2.gz OXUWGTUJRGNDSM-IRLDBZIGSA-N 1 3 355.526 3.033 20 0 FGADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000494638110 503580403 /nfs/dbraw/zinc/58/04/03/503580403.db2.gz OXUWGTUJRGNDSM-RBBKRZOGSA-N 1 3 355.526 3.033 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@H](C)C1 ZINC000508917602 503599692 /nfs/dbraw/zinc/59/96/92/503599692.db2.gz IBRNPKMCUWFOED-QCFAMHMHSA-N 1 3 374.573 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@H](C)C1 ZINC000508917602 503599696 /nfs/dbraw/zinc/59/96/96/503599696.db2.gz IBRNPKMCUWFOED-QCFAMHMHSA-N 1 3 374.573 3.358 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746785 503603395 /nfs/dbraw/zinc/60/33/95/503603395.db2.gz QMLNJCPQVDVBDE-KOENEWCDSA-N 1 3 366.505 3.091 20 0 FGADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000504863785 503628326 /nfs/dbraw/zinc/62/83/26/503628326.db2.gz MTEZUAMNWYZJII-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000517148993 503656534 /nfs/dbraw/zinc/65/65/34/503656534.db2.gz NVAJRTRVFGJMOA-ZCNNSNEGSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000517148993 503656543 /nfs/dbraw/zinc/65/65/43/503656543.db2.gz NVAJRTRVFGJMOA-ZCNNSNEGSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000517095668 503667531 /nfs/dbraw/zinc/66/75/31/503667531.db2.gz BAHRIFCVGZCNBU-RTBURBONSA-N 1 3 357.542 3.380 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719308 503678683 /nfs/dbraw/zinc/67/86/83/503678683.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719308 503678690 /nfs/dbraw/zinc/67/86/90/503678690.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 1 3 355.526 3.032 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000540175441 503697526 /nfs/dbraw/zinc/69/75/26/503697526.db2.gz IKCNHYWQMLTHSM-VXKWHMMOSA-N 1 3 365.521 3.404 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cccc(C)c43)CC2)CC1 ZINC000517391227 503733144 /nfs/dbraw/zinc/73/31/44/503733144.db2.gz LHTDGKIVFABENM-UHFFFAOYSA-N 1 3 355.526 3.080 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000517393509 503735179 /nfs/dbraw/zinc/73/51/79/503735179.db2.gz REDIHXCPWZVCCU-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)CC(C)C ZINC000517419803 503741192 /nfs/dbraw/zinc/74/11/92/503741192.db2.gz DOJBMESYEPZTQO-RBUKOAKNSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855924 503742287 /nfs/dbraw/zinc/74/22/87/503742287.db2.gz CHLIEBUOTZTZQB-IXDOHACOSA-N 1 3 373.541 3.456 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccccc3)c2)C1 ZINC000517453164 503749850 /nfs/dbraw/zinc/74/98/50/503749850.db2.gz YIKOSLRTRRDWAN-HRCHSMGBSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccccc3)c2)C1 ZINC000517453164 503749854 /nfs/dbraw/zinc/74/98/54/503749854.db2.gz YIKOSLRTRRDWAN-HRCHSMGBSA-N 1 3 363.505 3.187 20 0 FGADHO CC(C)[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000546592093 503799980 /nfs/dbraw/zinc/79/99/80/503799980.db2.gz OMVZOBAIRZLXDH-IRLDBZIGSA-N 1 3 353.510 3.392 20 0 FGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000537094999 503801615 /nfs/dbraw/zinc/80/16/15/503801615.db2.gz GDVLMGHWHGNTNL-INIZCTEOSA-N 1 3 370.459 3.320 20 0 FGADHO CC[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000543626211 503833473 /nfs/dbraw/zinc/83/34/73/503833473.db2.gz XAVOQUWOZMQKDQ-HXUWFJFHSA-N 1 3 356.514 3.178 20 0 FGADHO C[C@H](c1ccc(-c2cccc(C[NH+](C)C)c2)cc1)N1CCN(CCO)CC1 ZINC000527587558 503843882 /nfs/dbraw/zinc/84/38/82/503843882.db2.gz LGKLLGISDXMWJH-LJQANCHMSA-N 1 3 367.537 3.086 20 0 FGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707153 503862844 /nfs/dbraw/zinc/86/28/44/503862844.db2.gz PZUARTGCGUFUCL-PKTZIBPZSA-N 1 3 373.585 3.378 20 0 FGADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000533548877 503885537 /nfs/dbraw/zinc/88/55/37/503885537.db2.gz ASUKOLNPHRSTDS-MSOLQXFVSA-N 1 3 369.509 3.059 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530238797 503887637 /nfs/dbraw/zinc/88/76/37/503887637.db2.gz CGNSNPSJWLDEIY-LJQANCHMSA-N 1 3 355.482 3.241 20 0 FGADHO Clc1ccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248339 503894658 /nfs/dbraw/zinc/89/46/58/503894658.db2.gz JGGKFYGFMJPVSP-LJQANCHMSA-N 1 3 374.916 3.321 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCc4cc(F)ccc43)CC2)CC1 ZINC000518214709 503929648 /nfs/dbraw/zinc/92/96/48/503929648.db2.gz YZEQIXNIGNAUSJ-UHFFFAOYSA-N 1 3 373.516 3.301 20 0 FGADHO CSC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987513 503965321 /nfs/dbraw/zinc/96/53/21/503965321.db2.gz QPTOYKDMUMFPPH-HNNXBMFYSA-N 1 3 362.461 3.156 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000518402559 503975156 /nfs/dbraw/zinc/97/51/56/503975156.db2.gz HDXUKTPASHZSQY-NSHGMRRFSA-N 1 3 374.573 3.345 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000518402559 503975162 /nfs/dbraw/zinc/97/51/62/503975162.db2.gz HDXUKTPASHZSQY-NSHGMRRFSA-N 1 3 374.573 3.345 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000527950030 504012652 /nfs/dbraw/zinc/01/26/52/504012652.db2.gz OUOMJJSSXBQEJY-TYPHKJRUSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518593128 504022892 /nfs/dbraw/zinc/02/28/92/504022892.db2.gz ZVGHPAPGGWYHBM-ZCNNSNEGSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000518593128 504022896 /nfs/dbraw/zinc/02/28/96/504022896.db2.gz ZVGHPAPGGWYHBM-ZCNNSNEGSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541231569 504051915 /nfs/dbraw/zinc/05/19/15/504051915.db2.gz RHJMSKYTHYCEBS-INIZCTEOSA-N 1 3 358.448 3.319 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952497 504093233 /nfs/dbraw/zinc/09/32/33/504093233.db2.gz IDIWRWDVNMLYDT-AVRDEDQJSA-N 1 3 370.541 3.314 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952497 504093234 /nfs/dbraw/zinc/09/32/34/504093234.db2.gz IDIWRWDVNMLYDT-AVRDEDQJSA-N 1 3 370.541 3.314 20 0 FGADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000547421163 504098417 /nfs/dbraw/zinc/09/84/17/504098417.db2.gz XWFXWINOUKONOM-FGTMMUONSA-N 1 3 371.525 3.019 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000528285443 504147381 /nfs/dbraw/zinc/14/73/81/504147381.db2.gz JCXHYIJCWKSVEY-OAQYLSRUSA-N 1 3 372.557 3.297 20 0 FGADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000538192944 504157229 /nfs/dbraw/zinc/15/72/29/504157229.db2.gz LPLUJUMCVNBCDI-CQSZACIVSA-N 1 3 353.869 3.048 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N(C)C1CC1 ZINC000519204726 504164695 /nfs/dbraw/zinc/16/46/95/504164695.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N(C)C1CC1 ZINC000519204726 504164700 /nfs/dbraw/zinc/16/47/00/504164700.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 1 3 372.557 3.343 20 0 FGADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542754 504170480 /nfs/dbraw/zinc/17/04/80/504170480.db2.gz DEVMTXRDFFUSPR-LEWJYISDSA-N 1 3 357.473 3.137 20 0 FGADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542754 504170487 /nfs/dbraw/zinc/17/04/87/504170487.db2.gz DEVMTXRDFFUSPR-LEWJYISDSA-N 1 3 357.473 3.137 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335705 504174632 /nfs/dbraw/zinc/17/46/32/504174632.db2.gz OICQRFJUTRPCNA-OAHLLOKOSA-N 1 3 365.568 3.451 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC1CCN(C)CC1 ZINC000528423236 504218626 /nfs/dbraw/zinc/21/86/26/504218626.db2.gz MFWKQUUBUOMIRH-FGZHOGPDSA-N 1 3 371.569 3.335 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC1CCN(C)CC1 ZINC000528423236 504218628 /nfs/dbraw/zinc/21/86/28/504218628.db2.gz MFWKQUUBUOMIRH-FGZHOGPDSA-N 1 3 371.569 3.335 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000534721170 504224007 /nfs/dbraw/zinc/22/40/07/504224007.db2.gz KRGBQOZHLIZBFS-SFTDATJTSA-N 1 3 372.557 3.195 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707401 504227940 /nfs/dbraw/zinc/22/79/40/504227940.db2.gz PLOAXYXUAWKZSG-KCZVDYSFSA-N 1 3 360.542 3.461 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707401 504227941 /nfs/dbraw/zinc/22/79/41/504227941.db2.gz PLOAXYXUAWKZSG-KCZVDYSFSA-N 1 3 360.542 3.461 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398022 504234492 /nfs/dbraw/zinc/23/44/92/504234492.db2.gz AVKMSFGGGZWCPQ-FGZHOGPDSA-N 1 3 371.569 3.261 20 0 FGADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000538587630 504294586 /nfs/dbraw/zinc/29/45/86/504294586.db2.gz TZLOSDLXVLHCBQ-JXFKEZNVSA-N 1 3 373.928 3.280 20 0 FGADHO C(CN1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629049 504310126 /nfs/dbraw/zinc/31/01/26/504310126.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C(CN1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629049 504310128 /nfs/dbraw/zinc/31/01/28/504310128.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C(CN1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629049 504310134 /nfs/dbraw/zinc/31/01/34/504310134.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C(CN1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629049 504310136 /nfs/dbraw/zinc/31/01/36/504310136.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO OC[C@@]1(NCc2cccc(C[NH+]3CCCCC3)c2)COc2ccccc2C1 ZINC000528646169 504311096 /nfs/dbraw/zinc/31/10/96/504311096.db2.gz QDYVNTGMTPMANM-HSZRJFAPSA-N 1 3 366.505 3.128 20 0 FGADHO C[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535013336 504313100 /nfs/dbraw/zinc/31/31/00/504313100.db2.gz YQKQMLYIASTUEH-XLIONFOSSA-N 1 3 365.949 3.067 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000528657037 504316899 /nfs/dbraw/zinc/31/68/99/504316899.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 1 3 357.542 3.134 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000528657037 504316903 /nfs/dbraw/zinc/31/69/03/504316903.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 1 3 357.542 3.134 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749645 504357340 /nfs/dbraw/zinc/35/73/40/504357340.db2.gz YYPRSGXKWXUVOY-FQEVSTJZSA-N 1 3 356.514 3.318 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCCN(C)C3)c2)CC1 ZINC000538773326 504365107 /nfs/dbraw/zinc/36/51/07/504365107.db2.gz JBKNCNNAQSDCIC-HXUWFJFHSA-N 1 3 372.557 3.424 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(Br)c1 ZINC000531686967 504393311 /nfs/dbraw/zinc/39/33/11/504393311.db2.gz VCSUEOYKPAEVBH-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1sccc1Br ZINC000531704198 504398037 /nfs/dbraw/zinc/39/80/37/504398037.db2.gz UQGNZWTWXOOUCS-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1sccc1Br ZINC000531704198 504398038 /nfs/dbraw/zinc/39/80/38/504398038.db2.gz UQGNZWTWXOOUCS-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H]1c1ccccc1 ZINC000535469438 504443830 /nfs/dbraw/zinc/44/38/30/504443830.db2.gz ONCBNIXGXAZGDX-VXKWHMMOSA-N 1 3 372.472 3.422 20 0 FGADHO C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H]1c1ccccc1 ZINC000535469438 504443836 /nfs/dbraw/zinc/44/38/36/504443836.db2.gz ONCBNIXGXAZGDX-VXKWHMMOSA-N 1 3 372.472 3.422 20 0 FGADHO COCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548483919 504462600 /nfs/dbraw/zinc/46/26/00/504462600.db2.gz BAKZPPIXDRRGOB-NQIIRXRSSA-N 1 3 369.509 3.107 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162380 504490654 /nfs/dbraw/zinc/49/06/54/504490654.db2.gz ZLCZBZDAJSTPFZ-FQEVSTJZSA-N 1 3 374.529 3.238 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccccc2OC(F)(F)F)CC1 ZINC000531988099 504495554 /nfs/dbraw/zinc/49/55/54/504495554.db2.gz VEKQFFOLUHAOCD-OAHLLOKOSA-N 1 3 374.447 3.199 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCN3C3CCCC3)ccc21 ZINC000529116504 504541203 /nfs/dbraw/zinc/54/12/03/504541203.db2.gz YJIOQESWUMZJTF-UYAOXDASSA-N 1 3 356.514 3.374 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137519 504699217 /nfs/dbraw/zinc/69/92/17/504699217.db2.gz UOXGJSFIGGKZRQ-RTBURBONSA-N 1 3 354.922 3.460 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701038 /nfs/dbraw/zinc/70/10/38/504701038.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 1 3 374.481 3.390 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701042 /nfs/dbraw/zinc/70/10/42/504701042.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 1 3 374.481 3.390 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000549235175 504733745 /nfs/dbraw/zinc/73/37/45/504733745.db2.gz IFMWJOLBWIYELF-QCFAMHMHSA-N 1 3 364.574 3.187 20 0 FGADHO O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000553315034 504880643 /nfs/dbraw/zinc/88/06/43/504880643.db2.gz MOMHMSKWDBQEOT-FQEVSTJZSA-N 1 3 361.917 3.124 20 0 FGADHO CN(CCCN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1)Cc1ccco1 ZINC000553361916 504893933 /nfs/dbraw/zinc/89/39/33/504893933.db2.gz WEDNOQKEUIHDKN-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccco1 ZINC000553405061 504906099 /nfs/dbraw/zinc/90/60/99/504906099.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 1 3 369.509 3.225 20 0 FGADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccco1 ZINC000553405061 504906102 /nfs/dbraw/zinc/90/61/02/504906102.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 1 3 369.509 3.225 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553510651 504935883 /nfs/dbraw/zinc/93/58/83/504935883.db2.gz GOEZDKJTDYYLDT-LMNJBCLMSA-N 1 3 373.516 3.123 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 ZINC000553525799 504939886 /nfs/dbraw/zinc/93/98/86/504939886.db2.gz KQWRRHKJFONWCM-GOSISDBHSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000557032537 505048699 /nfs/dbraw/zinc/04/86/99/505048699.db2.gz HZNNJGWTHYAIER-OAHLLOKOSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000557032537 505048702 /nfs/dbraw/zinc/04/87/02/505048702.db2.gz HZNNJGWTHYAIER-OAHLLOKOSA-N 1 3 367.921 3.483 20 0 FGADHO COc1ccc(O[C@H](C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089328 505077015 /nfs/dbraw/zinc/07/70/15/505077015.db2.gz YUWYCRGURONJLI-QGCDCVKKSA-N 1 3 368.477 3.308 20 0 FGADHO CN(C)C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506142 505107562 /nfs/dbraw/zinc/10/75/62/505107562.db2.gz IZDGMQZENDXBTM-IEBWSBKVSA-N 1 3 365.949 3.366 20 0 FGADHO CN(C)C[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506142 505107563 /nfs/dbraw/zinc/10/75/63/505107563.db2.gz IZDGMQZENDXBTM-IEBWSBKVSA-N 1 3 365.949 3.366 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1Br ZINC000560528445 505115608 /nfs/dbraw/zinc/11/56/08/505115608.db2.gz FYYWIFOSYQVSSW-BMFZPTHFSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1Br ZINC000560528445 505115612 /nfs/dbraw/zinc/11/56/12/505115612.db2.gz FYYWIFOSYQVSSW-BMFZPTHFSA-N 1 3 353.304 3.420 20 0 FGADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1Br ZINC000560528445 505115617 /nfs/dbraw/zinc/11/56/17/505115617.db2.gz FYYWIFOSYQVSSW-BMFZPTHFSA-N 1 3 353.304 3.420 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533656 505117374 /nfs/dbraw/zinc/11/73/74/505117374.db2.gz UNBXDXTWXVHYBA-KSEOMHKRSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533656 505117376 /nfs/dbraw/zinc/11/73/76/505117376.db2.gz UNBXDXTWXVHYBA-KSEOMHKRSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000560533656 505117379 /nfs/dbraw/zinc/11/73/79/505117379.db2.gz UNBXDXTWXVHYBA-KSEOMHKRSA-N 1 3 350.510 3.300 20 0 FGADHO c1ccc(N2CCO[C@@H](CN3CCC(CCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000563350130 505117541 /nfs/dbraw/zinc/11/75/41/505117541.db2.gz LJBVEQUJOJZLTA-QHCPKHFHSA-N 1 3 371.569 3.480 20 0 FGADHO O=C(CNC1CC(c2cccc(Cl)c2)C1)NCC[NH+]1CCCCCC1 ZINC000560547392 505122034 /nfs/dbraw/zinc/12/20/34/505122034.db2.gz VETDNKZMOZLGAC-UHFFFAOYSA-N 1 3 363.933 3.168 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000563507190 505161121 /nfs/dbraw/zinc/16/11/21/505161121.db2.gz LJJZYONDPPWOEC-LJQANCHMSA-N 1 3 372.513 3.087 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000563507190 505161125 /nfs/dbraw/zinc/16/11/25/505161125.db2.gz LJJZYONDPPWOEC-LJQANCHMSA-N 1 3 372.513 3.087 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000554450064 505176350 /nfs/dbraw/zinc/17/63/50/505176350.db2.gz JOSIMXVIDVMLOJ-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000554450064 505176353 /nfs/dbraw/zinc/17/63/53/505176353.db2.gz JOSIMXVIDVMLOJ-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000554464623 505180319 /nfs/dbraw/zinc/18/03/19/505180319.db2.gz NUCBJKOHLWQAOL-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000554478587 505183107 /nfs/dbraw/zinc/18/31/07/505183107.db2.gz MGLKVFJSRQZGTA-IEBWSBKVSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641496 505190819 /nfs/dbraw/zinc/19/08/19/505190819.db2.gz TYUZBFXQRLALAN-IRLDBZIGSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(CC)CC ZINC000557641496 505190821 /nfs/dbraw/zinc/19/08/21/505190821.db2.gz TYUZBFXQRLALAN-IRLDBZIGSA-N 1 3 357.542 3.231 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(OCC3CCCCC3)CC2)CC1 ZINC000554544977 505202454 /nfs/dbraw/zinc/20/24/54/505202454.db2.gz YVDQPTRRNDJRSL-UHFFFAOYSA-N 1 3 365.606 3.464 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2cccc3ccccc32)c1 ZINC000563989780 505296965 /nfs/dbraw/zinc/29/69/65/505296965.db2.gz LZHXMKMMULGPHI-NRFANRHFSA-N 1 3 364.489 3.431 20 0 FGADHO COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000555125133 505356745 /nfs/dbraw/zinc/35/67/45/505356745.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[N@H+]3C)CCN2C2CC2)c1 ZINC000555125133 505356748 /nfs/dbraw/zinc/35/67/48/505356748.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 1 3 357.542 3.437 20 0 FGADHO COc1cccc([C@@H]2[C@@H]([NH2+]CC[C@H]3CCCCN3C)CCN2C2CC2)c1 ZINC000555125133 505356753 /nfs/dbraw/zinc/35/67/53/505356753.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380407 505371704 /nfs/dbraw/zinc/37/17/04/505371704.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380407 505371705 /nfs/dbraw/zinc/37/17/05/505371705.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233733 505386062 /nfs/dbraw/zinc/38/60/62/505386062.db2.gz FJWLWMPBTRPNLH-WMQCIHAUSA-N 1 3 374.525 3.259 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233733 505386066 /nfs/dbraw/zinc/38/60/66/505386066.db2.gz FJWLWMPBTRPNLH-WMQCIHAUSA-N 1 3 374.525 3.259 20 0 FGADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552250875 505441754 /nfs/dbraw/zinc/44/17/54/505441754.db2.gz DHWGHFHNDAPSNQ-SSGKUCQKSA-N 1 3 374.569 3.300 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)Cc2ccco2)CC1 ZINC000567453377 505468463 /nfs/dbraw/zinc/46/84/63/505468463.db2.gz TYTDBGIYZJCCCM-AZUAARDMSA-N 1 3 356.510 3.116 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000561945711 505474401 /nfs/dbraw/zinc/47/44/01/505474401.db2.gz FVKSNGQXPMECBG-NASSWSRMSA-N 1 3 373.541 3.115 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000567647088 505523218 /nfs/dbraw/zinc/52/32/18/505523218.db2.gz SSSVVMLPLMQVRG-PZJWPPBQSA-N 1 3 350.510 3.251 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552780150 505553418 /nfs/dbraw/zinc/55/34/18/505553418.db2.gz ZNXTYTOLHDZOGX-KSZLIROESA-N 1 3 373.541 3.037 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552780150 505553420 /nfs/dbraw/zinc/55/34/20/505553420.db2.gz ZNXTYTOLHDZOGX-KSZLIROESA-N 1 3 373.541 3.037 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772994 505561929 /nfs/dbraw/zinc/56/19/29/505561929.db2.gz RGBWUYZUKGVVQT-JRGCBEDISA-N 1 3 351.494 3.418 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000583033578 506553195 /nfs/dbraw/zinc/55/31/95/506553195.db2.gz HUCITQTVQICCAN-MISYRCLQSA-N 1 3 361.574 3.268 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000593353286 506567331 /nfs/dbraw/zinc/56/73/31/506567331.db2.gz STKDGGOGQFBDIP-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@H](N)c1ccccc1 ZINC000583193466 506643082 /nfs/dbraw/zinc/64/30/82/506643082.db2.gz IVEBSNGGUHISPW-MRXNPFEDSA-N 1 3 358.511 3.275 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685392 506666145 /nfs/dbraw/zinc/66/61/45/506666145.db2.gz PYQHTRLXMWDFKU-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO C[NH+](C)CC1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000590125586 506743707 /nfs/dbraw/zinc/74/37/07/506743707.db2.gz ASFPDUYKJZOYMV-HNNXBMFYSA-N 1 3 361.313 3.007 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000583419957 506768962 /nfs/dbraw/zinc/76/89/62/506768962.db2.gz KQJCCMFZEUELCK-IBGZPJMESA-N 1 3 364.578 3.062 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000583419957 506768967 /nfs/dbraw/zinc/76/89/67/506768967.db2.gz KQJCCMFZEUELCK-IBGZPJMESA-N 1 3 364.578 3.062 20 0 FGADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)Nc1ccc2c(c1)CNC2 ZINC000583488523 506806466 /nfs/dbraw/zinc/80/64/66/506806466.db2.gz ZVUCRTOHGJHNEX-UHFFFAOYSA-N 1 3 356.514 3.458 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130046 506931511 /nfs/dbraw/zinc/93/15/11/506931511.db2.gz YVIWKPKDDQUGJH-NQIIRXRSSA-N 1 3 357.542 3.055 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C ZINC000604776362 506939544 /nfs/dbraw/zinc/93/95/44/506939544.db2.gz HEZUZPLJGQVREH-HXUWFJFHSA-N 1 3 374.573 3.100 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000604822488 506957149 /nfs/dbraw/zinc/95/71/49/506957149.db2.gz KBHPIBMNAHMGKQ-NQIIRXRSSA-N 1 3 372.557 3.384 20 0 FGADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000583802317 506982986 /nfs/dbraw/zinc/98/29/86/506982986.db2.gz QKSKCKBTBVCRDT-IZZBFERCSA-N 1 3 372.557 3.371 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCC1 ZINC000594286665 507063228 /nfs/dbraw/zinc/06/32/28/507063228.db2.gz VWZZEQYXVRXDCQ-WOJBJXKFSA-N 1 3 364.578 3.157 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](SC)C(C)(C)C)CC2)CC1 ZINC000594337916 507084114 /nfs/dbraw/zinc/08/41/14/507084114.db2.gz VIYOMQXKJXZLAT-SFHVURJKSA-N 1 3 369.619 3.077 20 0 FGADHO CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540315 507139779 /nfs/dbraw/zinc/13/97/79/507139779.db2.gz UATSBQPHOWREQE-IBGZPJMESA-N 1 3 362.514 3.181 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccsc1 ZINC000600844099 507145447 /nfs/dbraw/zinc/14/54/47/507145447.db2.gz SAWRZYJNOPXPIJ-MSOLQXFVSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844099 507145451 /nfs/dbraw/zinc/14/54/51/507145451.db2.gz SAWRZYJNOPXPIJ-MSOLQXFVSA-N 1 3 366.575 3.305 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000600894800 507163907 /nfs/dbraw/zinc/16/39/07/507163907.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 1 3 372.557 3.087 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000600894800 507163914 /nfs/dbraw/zinc/16/39/14/507163914.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 1 3 372.557 3.087 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894579 507164268 /nfs/dbraw/zinc/16/42/68/507164268.db2.gz DLKZOSBYTNXUGK-NRFANRHFSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000591554637 507289280 /nfs/dbraw/zinc/28/92/80/507289280.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)N(C)C1CC1 ZINC000591554637 507289284 /nfs/dbraw/zinc/28/92/84/507289284.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572873 507297744 /nfs/dbraw/zinc/29/77/44/507297744.db2.gz RCTRWABUPBKSKK-HMXCVIKNSA-N 1 3 370.541 3.092 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243437 507309418 /nfs/dbraw/zinc/30/94/18/507309418.db2.gz MCKCQQMBSZEVLV-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000601243437 507309423 /nfs/dbraw/zinc/30/94/23/507309423.db2.gz MCKCQQMBSZEVLV-MSOLQXFVSA-N 1 3 352.567 3.061 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000584415540 507332787 /nfs/dbraw/zinc/33/27/87/507332787.db2.gz MYGFCRKKKCZFTM-GDBMZVCRSA-N 1 3 353.938 3.268 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000606663433 507473159 /nfs/dbraw/zinc/47/31/59/507473159.db2.gz WYUODQBQWFUWDX-UHFFFAOYSA-N 1 3 366.594 3.404 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125424 507623449 /nfs/dbraw/zinc/62/34/49/507623449.db2.gz PMDXCFWVUACQKA-GHTZIAJQSA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125424 507623451 /nfs/dbraw/zinc/62/34/51/507623451.db2.gz PMDXCFWVUACQKA-GHTZIAJQSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756132 507660387 /nfs/dbraw/zinc/66/03/87/507660387.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 1 3 357.542 3.276 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756132 507660391 /nfs/dbraw/zinc/66/03/91/507660391.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 1 3 357.542 3.276 20 0 FGADHO COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532293 507725162 /nfs/dbraw/zinc/72/51/62/507725162.db2.gz UNIGDSGWZHBDDK-SFHVURJKSA-N 1 3 362.514 3.038 20 0 FGADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000644842985 568181271 /nfs/dbraw/zinc/18/12/71/568181271.db2.gz HHFHTKHRYQKBFM-NRFANRHFSA-N 1 3 358.526 3.410 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870893 568396156 /nfs/dbraw/zinc/39/61/56/568396156.db2.gz OUGSNHQYRHYREB-SSGKUCQKSA-N 1 3 371.569 3.178 20 0 FGADHO CCCN1CCC([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)CC1 ZINC000161765354 705282292 /nfs/dbraw/zinc/28/22/92/705282292.db2.gz FTZZUJNDHUGUPC-UHFFFAOYSA-N 1 3 364.603 3.382 20 0 FGADHO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1CN1CCCCC1 ZINC000183011470 705873984 /nfs/dbraw/zinc/87/39/84/705873984.db2.gz HZCLOPQGKVIZDS-VQIMIIECSA-N 1 3 366.571 3.446 20 0 FGADHO CC[NH+](CC)Cc1cc([C@H](C)NCC2(C)OCCCO2)ccc1OC ZINC000190666576 712819625 /nfs/dbraw/zinc/81/96/25/712819625.db2.gz ZSSKRCCCWCTYKU-INIZCTEOSA-N 1 3 350.503 3.341 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581922 713626728 /nfs/dbraw/zinc/62/67/28/713626728.db2.gz SEWJCYSOFRLGNC-RCCFBDPRSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043075 713662878 /nfs/dbraw/zinc/66/28/78/713662878.db2.gz VGLOXKFBUGXBMZ-SQNIBIBYSA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)NC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043075 713662879 /nfs/dbraw/zinc/66/28/79/713662879.db2.gz VGLOXKFBUGXBMZ-SQNIBIBYSA-N 1 3 351.535 3.286 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccsc1 ZINC000616074327 714567100 /nfs/dbraw/zinc/56/71/00/714567100.db2.gz RYUYRJMFNNDUGK-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413359 715330450 /nfs/dbraw/zinc/33/04/50/715330450.db2.gz SFXWGRZXWQMENH-HZPDHXFCSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413359 715330455 /nfs/dbraw/zinc/33/04/55/715330455.db2.gz SFXWGRZXWQMENH-HZPDHXFCSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414998 715331045 /nfs/dbraw/zinc/33/10/45/715331045.db2.gz WVPZCSFFYPKYOB-LSDHHAIUSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414998 715331050 /nfs/dbraw/zinc/33/10/50/715331050.db2.gz WVPZCSFFYPKYOB-LSDHHAIUSA-N 1 3 366.347 3.490 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@H](C)O1 ZINC000623425050 715334055 /nfs/dbraw/zinc/33/40/55/715334055.db2.gz OZMDCNLCNIXAEP-GASCZTMLSA-N 1 3 355.473 3.010 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1Cl ZINC000623488082 715346461 /nfs/dbraw/zinc/34/64/61/715346461.db2.gz HIQWQHWJPMFMOJ-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1Cl ZINC000623488082 715346468 /nfs/dbraw/zinc/34/64/68/715346468.db2.gz HIQWQHWJPMFMOJ-SFHVURJKSA-N 1 3 360.885 3.205 20 0 FGADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(N)CCOCC1 ZINC000629523827 716302836 /nfs/dbraw/zinc/30/28/36/716302836.db2.gz JUHXOPXTZIQSIM-NHYWBVRUSA-N 1 3 371.344 3.330 20 0 FGADHO COc1cc(C[NH2+]C2CCN(C3CC3)CC2)c(F)cc1Br ZINC000631036414 716552187 /nfs/dbraw/zinc/55/21/87/716552187.db2.gz NINOWPJEDZPUMY-UHFFFAOYSA-N 1 3 357.267 3.313 20 0 FGADHO CO[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000638529832 717454723 /nfs/dbraw/zinc/45/47/23/717454723.db2.gz FLUMVLDTYSUQJI-UYAOXDASSA-N 1 3 366.933 3.193 20 0 FGADHO COc1nsc(CNC(C)(C)CCC[NH+](C)C)c1Br ZINC000639231858 717534262 /nfs/dbraw/zinc/53/42/62/717534262.db2.gz UVMFYPLCYFYINR-UHFFFAOYSA-N 1 3 350.326 3.124 20 0 FGADHO Oc1ccc(Br)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543707 718366631 /nfs/dbraw/zinc/36/66/31/718366631.db2.gz RFHQPAKKRPHWAQ-UONOGXRCSA-N 1 3 353.304 3.366 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707382 718717565 /nfs/dbraw/zinc/71/75/65/718717565.db2.gz DVZLFYOCROEYFY-VBQJREDUSA-N 1 3 358.404 3.145 20 0 FGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655711819 719328604 /nfs/dbraw/zinc/32/86/04/719328604.db2.gz NFASYTMRWUHJMC-QUCCMNQESA-N 1 3 351.579 3.120 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@@H](C)O1 ZINC000657366835 719634938 /nfs/dbraw/zinc/63/49/38/719634938.db2.gz KSBSNTHBQUSJBM-ZIAGYGMSSA-N 1 3 360.420 3.406 20 0 FGADHO FC(F)(F)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)OC1CCCC1 ZINC000657588392 719680437 /nfs/dbraw/zinc/68/04/37/719680437.db2.gz PRVBMWDECYJZBG-INIZCTEOSA-N 1 3 354.376 3.247 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143679 719762363 /nfs/dbraw/zinc/76/23/63/719762363.db2.gz ZTFCLLVROFUOGQ-QZTJIDSGSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143679 719762366 /nfs/dbraw/zinc/76/23/66/719762366.db2.gz ZTFCLLVROFUOGQ-QZTJIDSGSA-N 1 3 357.523 3.185 20 0 FGADHO FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658166588 719765245 /nfs/dbraw/zinc/76/52/45/719765245.db2.gz BOGQNOIVJIIKDL-HCXYKTFWSA-N 1 3 350.453 3.301 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294601 720411114 /nfs/dbraw/zinc/41/11/14/720411114.db2.gz CPSAWXXLAKWKRA-OAHLLOKOSA-N 1 3 369.962 3.072 20 0 FGADHO CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296749 720411620 /nfs/dbraw/zinc/41/16/20/720411620.db2.gz MZAGOSIEMHYJTM-NVXWUHKLSA-N 1 3 361.555 3.447 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000662679428 720451985 /nfs/dbraw/zinc/45/19/85/720451985.db2.gz OOXJGLJWIOGNIF-IBGZPJMESA-N 1 3 357.523 3.207 20 0 FGADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368282 720506412 /nfs/dbraw/zinc/50/64/12/720506412.db2.gz CSEXLWSAMMVCAO-DLBZAZTESA-N 1 3 356.432 3.192 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663452496 720516672 /nfs/dbraw/zinc/51/66/72/720516672.db2.gz ZKICJIRBHGCYOU-HOTGVXAUSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663452496 720516675 /nfs/dbraw/zinc/51/66/75/720516675.db2.gz ZKICJIRBHGCYOU-HOTGVXAUSA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000664196452 720607207 /nfs/dbraw/zinc/60/72/07/720607207.db2.gz TZHZAKQWEWUSLC-AWEZNQCLSA-N 1 3 364.563 3.132 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000664196452 720607209 /nfs/dbraw/zinc/60/72/09/720607209.db2.gz TZHZAKQWEWUSLC-AWEZNQCLSA-N 1 3 364.563 3.132 20 0 FGADHO CSc1ccc([C@H](CNC(=O)Nc2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000667733577 721165594 /nfs/dbraw/zinc/16/55/94/721165594.db2.gz JMQRTKBANZCQPM-SFHVURJKSA-N 1 3 358.511 3.292 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583622 721468950 /nfs/dbraw/zinc/46/89/50/721468950.db2.gz LKESMJXGPIHAHE-MSOLQXFVSA-N 1 3 366.937 3.164 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691857 723650319 /nfs/dbraw/zinc/65/03/19/723650319.db2.gz FVDIKHWEQZCPIC-HZPDHXFCSA-N 1 3 353.938 3.334 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691856 723650393 /nfs/dbraw/zinc/65/03/93/723650393.db2.gz FVDIKHWEQZCPIC-HOTGVXAUSA-N 1 3 353.938 3.334 20 0 FGADHO Cc1cc(Br)cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000774991202 723949070 /nfs/dbraw/zinc/94/90/70/723949070.db2.gz XCAJQAIXLCHJQB-OAHLLOKOSA-N 1 3 367.331 3.348 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096462 /nfs/dbraw/zinc/09/64/62/725096462.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096467 /nfs/dbraw/zinc/09/64/67/725096467.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 1 3 351.535 3.194 20 0 FGADHO C[C@@H]1CN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299671 /nfs/dbraw/zinc/29/96/71/725299671.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1CN([C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299672 /nfs/dbraw/zinc/29/96/72/725299672.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 1 3 351.535 3.096 20 0 FGADHO CC(C)C[C@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000811474530 725368135 /nfs/dbraw/zinc/36/81/35/725368135.db2.gz KSWLQIUPVTVAGB-GOSISDBHSA-N 1 3 353.551 3.390 20 0 FGADHO CN1CCC[C@@H](C[N@H+](C)C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053312 727027157 /nfs/dbraw/zinc/02/71/57/727027157.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 1 3 373.310 3.069 20 0 FGADHO CN1CCC[C@@H](C[N@@H+](C)C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053312 727027160 /nfs/dbraw/zinc/02/71/60/727027160.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 1 3 373.310 3.069 20 0 FGADHO C[C@H]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC000822451876 729176420 /nfs/dbraw/zinc/17/64/20/729176420.db2.gz RHZUYCRGODZUTL-YJBOKZPZSA-N 1 3 351.535 3.238 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993536 /nfs/dbraw/zinc/99/35/36/730993536.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 1 3 351.535 3.240 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993539 /nfs/dbraw/zinc/99/35/39/730993539.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 1 3 351.535 3.240 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078019 731226740 /nfs/dbraw/zinc/22/67/40/731226740.db2.gz FIEGNNUIQWFIRQ-LLVKDONJSA-N 1 3 364.362 3.082 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508760 731366448 /nfs/dbraw/zinc/36/64/48/731366448.db2.gz OATWJNNVTOKXMM-AEFFLSMTSA-N 1 3 357.885 3.079 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508760 731366452 /nfs/dbraw/zinc/36/64/52/731366452.db2.gz OATWJNNVTOKXMM-AEFFLSMTSA-N 1 3 357.885 3.079 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437506 /nfs/dbraw/zinc/43/75/06/732437506.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437509 /nfs/dbraw/zinc/43/75/09/732437509.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCCC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641075 733243453 /nfs/dbraw/zinc/24/34/53/733243453.db2.gz SMCOCTUVRQTWBG-KBPBESRZSA-N 1 3 367.456 3.154 20 0 FGADHO C[N@H+]1CCCC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641075 733243459 /nfs/dbraw/zinc/24/34/59/733243459.db2.gz SMCOCTUVRQTWBG-KBPBESRZSA-N 1 3 367.456 3.154 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641075 733243464 /nfs/dbraw/zinc/24/34/64/733243464.db2.gz SMCOCTUVRQTWBG-KBPBESRZSA-N 1 3 367.456 3.154 20 0 FGADHO Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c(CN(C)C)c1 ZINC000870886995 733899427 /nfs/dbraw/zinc/89/94/27/733899427.db2.gz KUSOZJMQFWVHBL-UHFFFAOYSA-N 1 3 358.511 3.232 20 0 FGADHO CSC(C)(C)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877518879 736677697 /nfs/dbraw/zinc/67/76/97/736677697.db2.gz WMIZIAMAWUPGDC-FQEVSTJZSA-N 1 3 361.599 3.410 20 0 FGADHO CSC(C)(C)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877518879 736677699 /nfs/dbraw/zinc/67/76/99/736677699.db2.gz WMIZIAMAWUPGDC-FQEVSTJZSA-N 1 3 361.599 3.410 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000878411584 736827690 /nfs/dbraw/zinc/82/76/90/736827690.db2.gz LVMDSQILNXDVMU-BJLQDIEVSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411584 736827697 /nfs/dbraw/zinc/82/76/97/736827697.db2.gz LVMDSQILNXDVMU-BJLQDIEVSA-N 1 3 350.547 3.205 20 0 FGADHO C[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411584 736827700 /nfs/dbraw/zinc/82/77/00/736827700.db2.gz LVMDSQILNXDVMU-BJLQDIEVSA-N 1 3 350.547 3.205 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCc2ccccc2Br)C1 ZINC000883435585 737566565 /nfs/dbraw/zinc/56/65/65/737566565.db2.gz WRRBBYRSPMFGCF-KBAYOESNSA-N 1 3 367.331 3.352 20 0 FGADHO COCCCC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000892194592 739974584 /nfs/dbraw/zinc/97/45/84/739974584.db2.gz VLLCQCYQLYUABB-UHFFFAOYSA-N 1 3 351.579 3.074 20 0 FGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892460295 740003237 /nfs/dbraw/zinc/00/32/37/740003237.db2.gz MPOGLIITEGADSG-RTBURBONSA-N 1 3 350.478 3.252 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902791332 743775666 /nfs/dbraw/zinc/77/56/66/743775666.db2.gz UMLQLXORSZMLOR-GJZGRUSLSA-N 1 3 358.452 3.025 20 0 FGADHO FC(F)(F)[C@H]1CCC[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762120 760451346 /nfs/dbraw/zinc/45/13/46/760451346.db2.gz DPAVEXHLRGTOIK-DLBZAZTESA-N 1 3 364.452 3.063 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999203288 765147371 /nfs/dbraw/zinc/14/73/71/765147371.db2.gz ABKPLMGJLQDBFW-IJEWVQPXSA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000999203288 765147378 /nfs/dbraw/zinc/14/73/78/765147378.db2.gz ABKPLMGJLQDBFW-IJEWVQPXSA-N 1 3 369.962 3.212 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC001045044598 766505249 /nfs/dbraw/zinc/50/52/49/766505249.db2.gz OWDNFUFRCJCONZ-JENIJYKNSA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC001045044598 766505256 /nfs/dbraw/zinc/50/52/56/766505256.db2.gz OWDNFUFRCJCONZ-JENIJYKNSA-N 1 3 363.933 3.151 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000293494259 257378692 /nfs/dbraw/zinc/37/86/92/257378692.db2.gz AXZWYEXXIRHYCG-UHFFFAOYSA-N 1 3 357.498 3.150 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc(I)c1 ZINC000570857079 505596869 /nfs/dbraw/zinc/59/68/69/505596869.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 1 3 358.267 3.063 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc(I)c1 ZINC000570857079 505596871 /nfs/dbraw/zinc/59/68/71/505596871.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 1 3 358.267 3.063 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644496 494108122 /nfs/dbraw/zinc/10/81/22/494108122.db2.gz OKLKXVMMDSEPOW-STQMWFEESA-N 1 3 358.267 3.284 20 0 FGADHO COC1CCN(C(C)(C)CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000573917237 505650839 /nfs/dbraw/zinc/65/08/39/505650839.db2.gz PRYFMBAJVJQEGM-SFHVURJKSA-N 1 3 367.578 3.070 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)c1 ZINC000568282232 505658776 /nfs/dbraw/zinc/65/87/76/505658776.db2.gz RYNGBLOYOJUYDY-NRFANRHFSA-N 1 3 366.509 3.187 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000571198315 505677481 /nfs/dbraw/zinc/67/74/81/505677481.db2.gz JLMITHAPMRTBJZ-BEFAXECRSA-N 1 3 354.922 3.241 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000574050920 505682428 /nfs/dbraw/zinc/68/24/28/505682428.db2.gz CGUNKPJHEXNKOE-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000574050920 505682433 /nfs/dbraw/zinc/68/24/33/505682433.db2.gz CGUNKPJHEXNKOE-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO O=C(NCCN1CCCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058216766 493834766 /nfs/dbraw/zinc/83/47/66/493834766.db2.gz MLJBQUOTQPITCI-UHFFFAOYSA-N 1 3 372.557 3.348 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000081364632 493880864 /nfs/dbraw/zinc/88/08/64/493880864.db2.gz USNXBMKDNIGFOW-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000081364632 493880868 /nfs/dbraw/zinc/88/08/68/493880868.db2.gz USNXBMKDNIGFOW-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000069017159 493907213 /nfs/dbraw/zinc/90/72/13/493907213.db2.gz ZKVFVRNMCWWPDW-KDURUIRLSA-N 1 3 368.525 3.194 20 0 FGADHO Cc1nc(C)c(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000076866733 493982323 /nfs/dbraw/zinc/98/23/23/493982323.db2.gz RECAQHASHVWNQX-UHFFFAOYSA-N 1 3 372.582 3.448 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000052208461 494011797 /nfs/dbraw/zinc/01/17/97/494011797.db2.gz CRXNNHCSMSYCDX-IBGZPJMESA-N 1 3 352.494 3.009 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000052208461 494011803 /nfs/dbraw/zinc/01/18/03/494011803.db2.gz CRXNNHCSMSYCDX-IBGZPJMESA-N 1 3 352.494 3.009 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063785211 494088312 /nfs/dbraw/zinc/08/83/12/494088312.db2.gz NWZTXHGVWUFCCY-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063785211 494088317 /nfs/dbraw/zinc/08/83/17/494088317.db2.gz NWZTXHGVWUFCCY-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387464 494118547 /nfs/dbraw/zinc/11/85/47/494118547.db2.gz MQEZZGARMJJWIN-DFQSSKMNSA-N 1 3 360.546 3.051 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387464 494118550 /nfs/dbraw/zinc/11/85/50/494118550.db2.gz MQEZZGARMJJWIN-DFQSSKMNSA-N 1 3 360.546 3.051 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390493 494119321 /nfs/dbraw/zinc/11/93/21/494119321.db2.gz DBOAHMRDMABLDC-RYQLBKOJSA-N 1 3 366.575 3.113 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390493 494119324 /nfs/dbraw/zinc/11/93/24/494119324.db2.gz DBOAHMRDMABLDC-RYQLBKOJSA-N 1 3 366.575 3.113 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000088695292 494255425 /nfs/dbraw/zinc/25/54/25/494255425.db2.gz QQHBCNZIAYNRCL-CUXKYVRBSA-N 1 3 359.558 3.301 20 0 FGADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(OC(F)F)cc1C ZINC000580245628 505712440 /nfs/dbraw/zinc/71/24/40/505712440.db2.gz XIKYFPAKCYANMO-UHFFFAOYSA-N 1 3 369.500 3.363 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073437396 494370554 /nfs/dbraw/zinc/37/05/54/494370554.db2.gz CUDZEBFMOYYPBP-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000090038562 494431083 /nfs/dbraw/zinc/43/10/83/494431083.db2.gz RUFJDSFMTVJXLM-QFIPXVFZSA-N 1 3 365.521 3.089 20 0 FGADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N(C)Cc1ccccc1 ZINC000074168718 494491746 /nfs/dbraw/zinc/49/17/46/494491746.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N(C)Cc1ccccc1 ZINC000074168718 494491750 /nfs/dbraw/zinc/49/17/50/494491750.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937022 494504609 /nfs/dbraw/zinc/50/46/09/494504609.db2.gz GCYGJDHWLQUFDC-FQEVSTJZSA-N 1 3 355.482 3.198 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000115795672 494623610 /nfs/dbraw/zinc/62/36/10/494623610.db2.gz ZEVUTPRGLBRLLN-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO Cc1cc(F)ccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426771 494625268 /nfs/dbraw/zinc/62/52/68/494625268.db2.gz NZOYWOQZIWTPNS-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000115813818 494629630 /nfs/dbraw/zinc/62/96/30/494629630.db2.gz APTJRHPKVSMNKG-PZJWPPBQSA-N 1 3 372.557 3.115 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000115813818 494629634 /nfs/dbraw/zinc/62/96/34/494629634.db2.gz APTJRHPKVSMNKG-PZJWPPBQSA-N 1 3 372.557 3.115 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983928 494631644 /nfs/dbraw/zinc/63/16/44/494631644.db2.gz PZRYBNYAIOESDO-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000075181014 494701938 /nfs/dbraw/zinc/70/19/38/494701938.db2.gz QGOSXFWPGXRQDI-OAQYLSRUSA-N 1 3 351.494 3.095 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000075181014 494701942 /nfs/dbraw/zinc/70/19/42/494701942.db2.gz QGOSXFWPGXRQDI-OAQYLSRUSA-N 1 3 351.494 3.095 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC1CCCCC1 ZINC000092821094 494764809 /nfs/dbraw/zinc/76/48/09/494764809.db2.gz YLLGMHPLIRFWTC-UHFFFAOYSA-N 1 3 372.557 3.316 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075503420 494779386 /nfs/dbraw/zinc/77/93/86/494779386.db2.gz GOGNSNOMUIDDJM-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075503420 494779391 /nfs/dbraw/zinc/77/93/91/494779391.db2.gz GOGNSNOMUIDDJM-NRFANRHFSA-N 1 3 372.557 3.167 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126545628 494785418 /nfs/dbraw/zinc/78/54/18/494785418.db2.gz HQGIFBOPZFDQGW-JOCHJYFZSA-N 1 3 371.569 3.396 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCC(C)CC2)CC1 ZINC000116529476 494808489 /nfs/dbraw/zinc/80/84/89/494808489.db2.gz REFDCRRUTYFOSD-LJQANCHMSA-N 1 3 372.557 3.243 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)ccc3Cl)CC2)CC1 ZINC000121963243 494899277 /nfs/dbraw/zinc/89/92/77/494899277.db2.gz WBXUJSQPJSYKBU-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1N(C)C ZINC000093942789 494937491 /nfs/dbraw/zinc/93/74/91/494937491.db2.gz FVWPAPUJIAOQOQ-IBGZPJMESA-N 1 3 366.553 3.351 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1N(C)C ZINC000093945997 494938020 /nfs/dbraw/zinc/93/80/20/494938020.db2.gz WNHUQAZJWXBMMN-LJQANCHMSA-N 1 3 358.574 3.354 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000133334829 495002384 /nfs/dbraw/zinc/00/23/84/495002384.db2.gz YHBJEKZHAAOJBX-JOCHJYFZSA-N 1 3 371.500 3.179 20 0 FGADHO CC(C)N1CCN(c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000122661711 495011318 /nfs/dbraw/zinc/01/13/18/495011318.db2.gz UTJIQOSZNACFPH-UHFFFAOYSA-N 1 3 374.573 3.066 20 0 FGADHO CCCN1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122694064 495017623 /nfs/dbraw/zinc/01/76/23/495017623.db2.gz FZFSGDWEJHZKSP-FQEVSTJZSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000097257386 495029539 /nfs/dbraw/zinc/02/95/39/495029539.db2.gz PKJUANWNFKVJOR-KRWDZBQOSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000097257386 495029541 /nfs/dbraw/zinc/02/95/41/495029541.db2.gz PKJUANWNFKVJOR-KRWDZBQOSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008749 495030825 /nfs/dbraw/zinc/03/08/25/495030825.db2.gz ZZEAKHHGVUMLDS-KLHDSHLOSA-N 1 3 353.457 3.185 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008749 495030827 /nfs/dbraw/zinc/03/08/27/495030827.db2.gz ZZEAKHHGVUMLDS-KLHDSHLOSA-N 1 3 353.457 3.185 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc(Br)c1OC ZINC000133635998 495038638 /nfs/dbraw/zinc/03/86/38/495038638.db2.gz LQTSLOHQIDDANZ-LALPHHSUSA-N 1 3 371.319 3.285 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464518 495077874 /nfs/dbraw/zinc/07/78/74/495077874.db2.gz WNCSRMNGSMFKBK-NRFANRHFSA-N 1 3 372.557 3.133 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000119058363 495082394 /nfs/dbraw/zinc/08/23/94/495082394.db2.gz KSDJQIJPGDBDKL-UHFFFAOYSA-N 1 3 374.573 3.189 20 0 FGADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000101644723 495088326 /nfs/dbraw/zinc/08/83/26/495088326.db2.gz FTLRZXILDGHBBQ-IBGZPJMESA-N 1 3 372.557 3.027 20 0 FGADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000101644723 495088330 /nfs/dbraw/zinc/08/83/30/495088330.db2.gz FTLRZXILDGHBBQ-IBGZPJMESA-N 1 3 372.557 3.027 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)ccc1SC ZINC000128523503 495110687 /nfs/dbraw/zinc/11/06/87/495110687.db2.gz FLOWDBDMYGJFQO-MRXNPFEDSA-N 1 3 351.560 3.095 20 0 FGADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123403775 495126916 /nfs/dbraw/zinc/12/69/16/495126916.db2.gz LSNWZCICJBDJDF-SFHVURJKSA-N 1 3 357.542 3.014 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119396808 495158711 /nfs/dbraw/zinc/15/87/11/495158711.db2.gz FWTUWZAOAIQYEC-SFHVURJKSA-N 1 3 374.573 3.235 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305560 495217098 /nfs/dbraw/zinc/21/70/98/495217098.db2.gz SLNRUFSMMGIODS-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112742454 495233768 /nfs/dbraw/zinc/23/37/68/495233768.db2.gz AOIYTIYGQCDQIK-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112742454 495233772 /nfs/dbraw/zinc/23/37/72/495233772.db2.gz AOIYTIYGQCDQIK-IBGZPJMESA-N 1 3 372.557 3.156 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000105083420 495334723 /nfs/dbraw/zinc/33/47/23/495334723.db2.gz FWMMIAQXOBOFDK-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000105083420 495334725 /nfs/dbraw/zinc/33/47/25/495334725.db2.gz FWMMIAQXOBOFDK-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129869 495339642 /nfs/dbraw/zinc/33/96/42/495339642.db2.gz ZBDGJOLBJQTWGL-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129869 495339647 /nfs/dbraw/zinc/33/96/47/495339647.db2.gz ZBDGJOLBJQTWGL-CTNGQTDRSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120281965 495343132 /nfs/dbraw/zinc/34/31/32/495343132.db2.gz HYXYWLJSAKWLFP-JOCHJYFZSA-N 1 3 371.569 3.176 20 0 FGADHO Brc1cc2cccnc2c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000574457636 505777377 /nfs/dbraw/zinc/77/73/77/505777377.db2.gz RHHOFZKGZNLOFI-GASCZTMLSA-N 1 3 360.299 3.429 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000125825399 495504105 /nfs/dbraw/zinc/50/41/05/495504105.db2.gz HQDZUPLMAVCFRF-OAQYLSRUSA-N 1 3 374.573 3.443 20 0 FGADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125921751 495518725 /nfs/dbraw/zinc/51/87/25/495518725.db2.gz ATXOWAFSTWXXDE-GUYCJALGSA-N 1 3 358.523 3.246 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154275161 495565100 /nfs/dbraw/zinc/56/51/00/495565100.db2.gz WEPWYLMPTMBDRG-SJORKVTESA-N 1 3 360.571 3.406 20 0 FGADHO C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000173521680 495571326 /nfs/dbraw/zinc/57/13/26/495571326.db2.gz AXBRTFRYAYLKJC-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO COC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154399066 495604884 /nfs/dbraw/zinc/60/48/84/495604884.db2.gz RVHVSFDHHAWTCG-GOSISDBHSA-N 1 3 373.463 3.010 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000173618813 495617256 /nfs/dbraw/zinc/61/72/56/495617256.db2.gz WPYGUCCJXRGGPM-CVEARBPZSA-N 1 3 357.498 3.461 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CN1C1CC1 ZINC000154629114 495677399 /nfs/dbraw/zinc/67/73/99/495677399.db2.gz MPAHTIYHRDNKKW-XLIONFOSSA-N 1 3 370.541 3.097 20 0 FGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150976156 495698825 /nfs/dbraw/zinc/69/88/25/495698825.db2.gz UYOVTQMNSGQLDB-CVEARBPZSA-N 1 3 360.571 3.404 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127296 495746317 /nfs/dbraw/zinc/74/63/17/495746317.db2.gz XEYQUTZCJKMYRF-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127296 495746320 /nfs/dbraw/zinc/74/63/20/495746320.db2.gz XEYQUTZCJKMYRF-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127296 495746326 /nfs/dbraw/zinc/74/63/26/495746326.db2.gz XEYQUTZCJKMYRF-DLBZAZTESA-N 1 3 365.949 3.399 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183145218 495853215 /nfs/dbraw/zinc/85/32/15/495853215.db2.gz OMNAKIGIJQXZPK-GPJHCHHRSA-N 1 3 372.553 3.320 20 0 FGADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229823 495883077 /nfs/dbraw/zinc/88/30/77/495883077.db2.gz HEUYLGKFNPNHTD-RTBURBONSA-N 1 3 357.542 3.162 20 0 FGADHO COc1ccccc1-c1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000174262942 495885589 /nfs/dbraw/zinc/88/55/89/495885589.db2.gz BHJBEAORSOFEAM-UHFFFAOYSA-N 1 3 367.537 3.478 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)NC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000580670059 505810016 /nfs/dbraw/zinc/81/00/16/505810016.db2.gz QJDZFQGPJDJYQU-WIYYLYMNSA-N 1 3 357.542 3.468 20 0 FGADHO C[C@@H]1C[C@H](NCCC(=O)NC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000580670059 505810020 /nfs/dbraw/zinc/81/00/20/505810020.db2.gz QJDZFQGPJDJYQU-WIYYLYMNSA-N 1 3 357.542 3.468 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171622755 495952964 /nfs/dbraw/zinc/95/29/64/495952964.db2.gz YQJVSZSUZTXJKO-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155466564 495965720 /nfs/dbraw/zinc/96/57/20/495965720.db2.gz FOIMJCONBPGDNS-KRWDZBQOSA-N 1 3 366.509 3.099 20 0 FGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1 ZINC000571788977 505815401 /nfs/dbraw/zinc/81/54/01/505815401.db2.gz ICWQXAWPOMFIAD-MBAXHRRTSA-N 1 3 355.526 3.455 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(Br)cc1 ZINC000177302823 496011432 /nfs/dbraw/zinc/01/14/32/496011432.db2.gz GWXIQNDHOBURJD-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000155739293 496052564 /nfs/dbraw/zinc/05/25/64/496052564.db2.gz SMVJVRJEDVGAAX-NRFANRHFSA-N 1 3 351.494 3.143 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000577947594 505825059 /nfs/dbraw/zinc/82/50/59/505825059.db2.gz NUMOSPFMOMAXMS-NWSQWKLXSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000577947594 505825063 /nfs/dbraw/zinc/82/50/63/505825063.db2.gz NUMOSPFMOMAXMS-NWSQWKLXSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000577947594 505825067 /nfs/dbraw/zinc/82/50/67/505825067.db2.gz NUMOSPFMOMAXMS-NWSQWKLXSA-N 1 3 352.522 3.305 20 0 FGADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186750692 496134915 /nfs/dbraw/zinc/13/49/15/496134915.db2.gz ZGOLKZQZRIMICH-UHFFFAOYSA-N 1 3 359.436 3.418 20 0 FGADHO CC(C)(C)[NH+]1CCC(NCCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000186750692 496134922 /nfs/dbraw/zinc/13/49/22/496134922.db2.gz ZGOLKZQZRIMICH-UHFFFAOYSA-N 1 3 359.436 3.418 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152451395 496155504 /nfs/dbraw/zinc/15/55/04/496155504.db2.gz NJKHWAPGWNLBPR-CVEARBPZSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152451395 496155507 /nfs/dbraw/zinc/15/55/07/496155507.db2.gz NJKHWAPGWNLBPR-CVEARBPZSA-N 1 3 363.933 3.151 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000172120986 496174995 /nfs/dbraw/zinc/17/49/95/496174995.db2.gz MCIDLVPRXAJMMC-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174949569 496178511 /nfs/dbraw/zinc/17/85/11/496178511.db2.gz VEPJYGVCUFUWES-NRFANRHFSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174949569 496178517 /nfs/dbraw/zinc/17/85/17/496178517.db2.gz VEPJYGVCUFUWES-NRFANRHFSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000175272126 496317496 /nfs/dbraw/zinc/31/74/96/496317496.db2.gz ZIVGHUBOVUOKPU-BKZNIZDZSA-N 1 3 357.542 3.417 20 0 FGADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000175272126 496317504 /nfs/dbraw/zinc/31/75/04/496317504.db2.gz ZIVGHUBOVUOKPU-BKZNIZDZSA-N 1 3 357.542 3.417 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157015857 496386386 /nfs/dbraw/zinc/38/63/86/496386386.db2.gz GEJAIPYAKWGOEP-WMZOPIPTSA-N 1 3 361.530 3.102 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1 ZINC000178411650 496446680 /nfs/dbraw/zinc/44/66/80/496446680.db2.gz PKBGPQBLLAOZNY-MRXNPFEDSA-N 1 3 351.922 3.153 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+]1CCCC1 ZINC000178411650 496446686 /nfs/dbraw/zinc/44/66/86/496446686.db2.gz PKBGPQBLLAOZNY-MRXNPFEDSA-N 1 3 351.922 3.153 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)CCn3cccn3)CC2)c1 ZINC000157543571 496500789 /nfs/dbraw/zinc/50/07/89/496500789.db2.gz XDIZFARTHHVJMB-OAQYLSRUSA-N 1 3 369.557 3.162 20 0 FGADHO Cc1cc(NC(=O)CCNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)no1 ZINC000184747446 496516925 /nfs/dbraw/zinc/51/69/25/496516925.db2.gz CHBYDYVLUIBSCD-HZPDHXFCSA-N 1 3 370.497 3.058 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](N)c1ccccc1 ZINC000178688541 496541444 /nfs/dbraw/zinc/54/14/44/496541444.db2.gz DGDIAPSDFQPGGB-AVRDEDQJSA-N 1 3 365.521 3.146 20 0 FGADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000164439901 496611776 /nfs/dbraw/zinc/61/17/76/496611776.db2.gz FXHQDRZXOHZEKE-AWEZNQCLSA-N 1 3 352.910 3.306 20 0 FGADHO CCCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165495685 496660100 /nfs/dbraw/zinc/66/01/00/496660100.db2.gz LSIKZOGYXDLWCD-OAQYLSRUSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260358 496662395 /nfs/dbraw/zinc/66/23/95/496662395.db2.gz ZGSBATQOVPGBDV-SJORKVTESA-N 1 3 364.555 3.395 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000166245315 496681427 /nfs/dbraw/zinc/68/14/27/496681427.db2.gz ZKLOQLPJIZZFLW-CJNGLKHVSA-N 1 3 359.436 3.060 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166329179 496683900 /nfs/dbraw/zinc/68/39/00/496683900.db2.gz RXACMQFGWZRBOB-WIYYLYMNSA-N 1 3 357.542 3.274 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166444995 496686766 /nfs/dbraw/zinc/68/67/66/496686766.db2.gz AMLNBXHDIKTKSJ-HFSMHLIXSA-N 1 3 370.541 3.220 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444995 496686768 /nfs/dbraw/zinc/68/67/68/496686768.db2.gz AMLNBXHDIKTKSJ-HFSMHLIXSA-N 1 3 370.541 3.220 20 0 FGADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000185235192 496713433 /nfs/dbraw/zinc/71/34/33/496713433.db2.gz UYGLZCYLJPXGRS-RTWAWAEBSA-N 1 3 360.542 3.325 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000246987285 496742771 /nfs/dbraw/zinc/74/27/71/496742771.db2.gz KAVBJNBAUZAEBT-KZNAEPCWSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000247007990 496750558 /nfs/dbraw/zinc/75/05/58/496750558.db2.gz RPMAIBMJRYADFO-UWWQBHOKSA-N 1 3 364.559 3.055 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408350 496753303 /nfs/dbraw/zinc/75/33/03/496753303.db2.gz KWXSTAPGRNAQKT-FQEVSTJZSA-N 1 3 373.541 3.011 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000191408350 496753305 /nfs/dbraw/zinc/75/33/05/496753305.db2.gz KWXSTAPGRNAQKT-FQEVSTJZSA-N 1 3 373.541 3.011 20 0 FGADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194923659 496761217 /nfs/dbraw/zinc/76/12/17/496761217.db2.gz DVJBTNXQDZYJIB-IBGZPJMESA-N 1 3 373.516 3.028 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247061996 496766574 /nfs/dbraw/zinc/76/65/74/496766574.db2.gz PONDWBPJYRNQDB-YQFWSFKMSA-N 1 3 351.922 3.246 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247061996 496766576 /nfs/dbraw/zinc/76/65/76/496766576.db2.gz PONDWBPJYRNQDB-YQFWSFKMSA-N 1 3 351.922 3.246 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064584 496768127 /nfs/dbraw/zinc/76/81/27/496768127.db2.gz NZVOHIGIAFCWNS-KCQAQPDRSA-N 1 3 360.420 3.455 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C)[C@H]2C)CC1 ZINC000247112578 496783251 /nfs/dbraw/zinc/78/32/51/496783251.db2.gz YMHGHIUIAAFTKL-PKOBYXMFSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000268783155 496783583 /nfs/dbraw/zinc/78/35/83/496783583.db2.gz JGODFSHLRGYXQZ-UWJYYQICSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000268783155 496783586 /nfs/dbraw/zinc/78/35/86/496783586.db2.gz JGODFSHLRGYXQZ-UWJYYQICSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000572003806 505867150 /nfs/dbraw/zinc/86/71/50/505867150.db2.gz SKFVRWUXVBYAOU-MSOLQXFVSA-N 1 3 357.542 3.221 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000572003945 505867314 /nfs/dbraw/zinc/86/73/14/505867314.db2.gz SKFVRWUXVBYAOU-QZTJIDSGSA-N 1 3 357.542 3.221 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000247313272 496831523 /nfs/dbraw/zinc/83/15/23/496831523.db2.gz KECHYYFNYGUTMM-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000247313272 496831529 /nfs/dbraw/zinc/83/15/29/496831529.db2.gz KECHYYFNYGUTMM-FUHWJXTLSA-N 1 3 366.575 3.114 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962065 496835961 /nfs/dbraw/zinc/83/59/61/496835961.db2.gz XOKKZMSTAPIUNA-BULFRSBZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962065 496835965 /nfs/dbraw/zinc/83/59/65/496835965.db2.gz XOKKZMSTAPIUNA-BULFRSBZSA-N 1 3 354.494 3.229 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4[C@H]3C)CC2)CC1 ZINC000572011509 505869272 /nfs/dbraw/zinc/86/92/72/505869272.db2.gz CXOGFEMVTMAPNQ-GOSISDBHSA-N 1 3 369.553 3.329 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000247373281 496846567 /nfs/dbraw/zinc/84/65/67/496846567.db2.gz SHLLUSFXJUAENP-AZUAARDMSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000247373281 496846568 /nfs/dbraw/zinc/84/65/68/496846568.db2.gz SHLLUSFXJUAENP-AZUAARDMSA-N 1 3 360.546 3.053 20 0 FGADHO CCc1cccc(CC)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341179 496894969 /nfs/dbraw/zinc/89/49/69/496894969.db2.gz LARLNXOCEJOJNI-UHFFFAOYSA-N 1 3 372.557 3.492 20 0 FGADHO CC(C)Oc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195342039 496895182 /nfs/dbraw/zinc/89/51/82/496895182.db2.gz JQFVSPVYCWQCBA-UHFFFAOYSA-N 1 3 374.529 3.154 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000191831413 496903712 /nfs/dbraw/zinc/90/37/12/496903712.db2.gz MPUGYQTZQMSXAM-OAQYLSRUSA-N 1 3 359.558 3.130 20 0 FGADHO CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198229 496971894 /nfs/dbraw/zinc/97/18/94/496971894.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 1 3 360.542 3.006 20 0 FGADHO CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248198229 496971900 /nfs/dbraw/zinc/97/19/00/496971900.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 1 3 360.542 3.006 20 0 FGADHO CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248198233 496971999 /nfs/dbraw/zinc/97/19/99/496971999.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 1 3 360.542 3.006 20 0 FGADHO CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248198233 496972006 /nfs/dbraw/zinc/97/20/06/496972006.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 1 3 360.542 3.006 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678362 496988672 /nfs/dbraw/zinc/98/86/72/496988672.db2.gz ZGLMWPORJZTJNM-DYESRHJHSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678362 496988674 /nfs/dbraw/zinc/98/86/74/496988674.db2.gz ZGLMWPORJZTJNM-DYESRHJHSA-N 1 3 370.541 3.130 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189042047 496988921 /nfs/dbraw/zinc/98/89/21/496988921.db2.gz JEHJOVAUFXTFDK-ZDUSSCGKSA-N 1 3 363.855 3.474 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248411145 497001003 /nfs/dbraw/zinc/00/10/03/497001003.db2.gz YWBAAWLCCCKGRQ-KJJMTIBFSA-N 1 3 358.526 3.072 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248430303 497008873 /nfs/dbraw/zinc/00/88/73/497008873.db2.gz BPEJVMKONJSOFQ-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000248430303 497008879 /nfs/dbraw/zinc/00/88/79/497008879.db2.gz BPEJVMKONJSOFQ-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC2CCN(C)CC2)CCCC1)c1ccccc1 ZINC000265060683 497039475 /nfs/dbraw/zinc/03/94/75/497039475.db2.gz WHKQSYYHTGNLKG-QGZVFWFLSA-N 1 3 358.530 3.043 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000572064292 505880858 /nfs/dbraw/zinc/88/08/58/505880858.db2.gz IMRLRYBGRQUTOJ-UHFFFAOYSA-N 1 3 357.542 3.015 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(CN4CCCC4)c3)C2)CC1 ZINC000270216708 497079163 /nfs/dbraw/zinc/07/91/63/497079163.db2.gz MBJLTXZXUNSPSC-NRFANRHFSA-N 1 3 355.526 3.086 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(CN4CCCC4)c3)C2)CC1 ZINC000270216710 497079244 /nfs/dbraw/zinc/07/92/44/497079244.db2.gz MBJLTXZXUNSPSC-OAQYLSRUSA-N 1 3 355.526 3.086 20 0 FGADHO CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756199 497141883 /nfs/dbraw/zinc/14/18/83/497141883.db2.gz RFLPHAZBGKUGLE-SFTDATJTSA-N 1 3 369.553 3.279 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265647805 497153140 /nfs/dbraw/zinc/15/31/40/497153140.db2.gz KOVZQXNZMTWBCD-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236837531 497153994 /nfs/dbraw/zinc/15/39/94/497153994.db2.gz PUHSTVBWYQJWEY-FUHWJXTLSA-N 1 3 371.447 3.204 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000236877838 497161880 /nfs/dbraw/zinc/16/18/80/497161880.db2.gz BYGPTSFLFZTTDP-LZLYRXPVSA-N 1 3 351.560 3.273 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192640361 497172141 /nfs/dbraw/zinc/17/21/41/497172141.db2.gz DUGIIIDCUXAZSV-HXUWFJFHSA-N 1 3 369.553 3.231 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192640361 497172145 /nfs/dbraw/zinc/17/21/45/497172145.db2.gz DUGIIIDCUXAZSV-HXUWFJFHSA-N 1 3 369.553 3.231 20 0 FGADHO CCc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000236980726 497175510 /nfs/dbraw/zinc/17/55/10/497175510.db2.gz NLGOACRRVNVQOD-TYCQWZJGSA-N 1 3 353.510 3.304 20 0 FGADHO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274889964 497191121 /nfs/dbraw/zinc/19/11/21/497191121.db2.gz JFQCWHRHYAOOIH-RXVVDRJESA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274905867 497196229 /nfs/dbraw/zinc/19/62/29/497196229.db2.gz MDWWYBIXORAJJE-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1(C)C ZINC000249767693 497244801 /nfs/dbraw/zinc/24/48/01/497244801.db2.gz ITOSWVYHMBIQKQ-XFIJJGBISA-N 1 3 352.563 3.185 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277936 505894732 /nfs/dbraw/zinc/89/47/32/505894732.db2.gz NUAUMKPVSNJVFG-NJYVYQBISA-N 1 3 364.505 3.118 20 0 FGADHO c1cnn([C@@H]2CCCC[C@@H]2NCCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251682743 497280934 /nfs/dbraw/zinc/28/09/34/497280934.db2.gz NSDLMROVQLUZEE-UWHLTILDSA-N 1 3 370.545 3.317 20 0 FGADHO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245203169 497376810 /nfs/dbraw/zinc/37/68/10/497376810.db2.gz ZZNZRWVUJLGNJP-CEXWTWQISA-N 1 3 357.542 3.276 20 0 FGADHO CC(C)COC(=O)N1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000271542651 497378050 /nfs/dbraw/zinc/37/80/50/497378050.db2.gz PPGMSSPXHPKLJX-UHFFFAOYSA-N 1 3 374.529 3.145 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275738341 497418146 /nfs/dbraw/zinc/41/81/46/497418146.db2.gz YIWVOGYOSIEMFO-FQEVSTJZSA-N 1 3 368.525 3.085 20 0 FGADHO CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261677049 497432441 /nfs/dbraw/zinc/43/24/41/497432441.db2.gz BCOSEIXRQKQMIZ-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO CN(c1ccccc1C[N@H+](C[C@H]1CCOC1)C1CC1)C1CCN(C)CC1 ZINC000245507328 497434104 /nfs/dbraw/zinc/43/41/04/497434104.db2.gz PSLGMGMIMQJKAP-GOSISDBHSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1)C1CCN(C)CC1 ZINC000245507328 497434110 /nfs/dbraw/zinc/43/41/10/497434110.db2.gz PSLGMGMIMQJKAP-GOSISDBHSA-N 1 3 357.542 3.218 20 0 FGADHO COc1ccc([C@@H](C)C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000271741474 497434552 /nfs/dbraw/zinc/43/45/52/497434552.db2.gz AAXPLDIBBUBTST-IBGZPJMESA-N 1 3 359.558 3.289 20 0 FGADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996041 497489403 /nfs/dbraw/zinc/48/94/03/497489403.db2.gz NSZPHMQOSOBIPE-MSOLQXFVSA-N 1 3 371.569 3.453 20 0 FGADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000193887646 497511371 /nfs/dbraw/zinc/51/13/71/497511371.db2.gz GRZWYACZLACAFY-XIYVOTBMSA-N 1 3 356.510 3.218 20 0 FGADHO CNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272137037 497545033 /nfs/dbraw/zinc/54/50/33/497545033.db2.gz ARHWQELWLHQUOI-UTKZUKDTSA-N 1 3 351.494 3.046 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245862078 497553010 /nfs/dbraw/zinc/55/30/10/497553010.db2.gz CNUGZIHGIQUBIS-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245862078 497553015 /nfs/dbraw/zinc/55/30/15/497553015.db2.gz CNUGZIHGIQUBIS-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262631494 497587741 /nfs/dbraw/zinc/58/77/41/497587741.db2.gz FLCPAVBBKZZZER-FWZVCBSNSA-N 1 3 355.526 3.076 20 0 FGADHO CC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000262660009 497594303 /nfs/dbraw/zinc/59/43/03/497594303.db2.gz FUMHYGNTUSQDNC-YHYVQYDKSA-N 1 3 365.521 3.276 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674396 497597481 /nfs/dbraw/zinc/59/74/81/497597481.db2.gz TTWCDKHHJYCGTR-BWAGFHJFSA-N 1 3 365.521 3.446 20 0 FGADHO CCC[C@](C)([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000262718834 497608024 /nfs/dbraw/zinc/60/80/24/497608024.db2.gz XMTLSMXZHXFEEV-IBGZPJMESA-N 1 3 351.922 3.186 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@H]21 ZINC000572229119 505919865 /nfs/dbraw/zinc/91/98/65/505919865.db2.gz CRBQSPWGPZENHZ-VHDGCEQUSA-N 1 3 367.287 3.140 20 0 FGADHO Cc1nc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)cs1 ZINC000267993901 497654310 /nfs/dbraw/zinc/65/43/10/497654310.db2.gz KLLSJOGUZONLNJ-UHFFFAOYSA-N 1 3 358.555 3.314 20 0 FGADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@]12CCCO2 ZINC000272670676 497696579 /nfs/dbraw/zinc/69/65/79/497696579.db2.gz KKTQHGZBKLACHP-BDTNDASRSA-N 1 3 358.526 3.010 20 0 FGADHO C[C@@]1(O)CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000280257129 497698648 /nfs/dbraw/zinc/69/86/48/497698648.db2.gz XLNAJYIDNMWRSG-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@@]1(O)CCCN(Cc2ccccc2C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000280257129 497698655 /nfs/dbraw/zinc/69/86/55/497698655.db2.gz XLNAJYIDNMWRSG-FGZHOGPDSA-N 1 3 360.542 3.160 20 0 FGADHO COCCN(C)c1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cn1 ZINC000276966458 497702077 /nfs/dbraw/zinc/70/20/77/497702077.db2.gz NUKQRLLCGIYYGT-UHFFFAOYSA-N 1 3 370.541 3.294 20 0 FGADHO COCCN(C)c1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000276966458 497702082 /nfs/dbraw/zinc/70/20/82/497702082.db2.gz NUKQRLLCGIYYGT-UHFFFAOYSA-N 1 3 370.541 3.294 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246348038 497703473 /nfs/dbraw/zinc/70/34/73/497703473.db2.gz JOSYUAHWYBHFJM-VAMGGRTRSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246348038 497703475 /nfs/dbraw/zinc/70/34/75/497703475.db2.gz JOSYUAHWYBHFJM-VAMGGRTRSA-N 1 3 364.578 3.157 20 0 FGADHO CCc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N(C)C)cc1 ZINC000263232163 497738622 /nfs/dbraw/zinc/73/86/22/497738622.db2.gz IMDUROSJYQDNNC-LWUIHUKISA-N 1 3 357.542 3.122 20 0 FGADHO c1csc(N2CCC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)CC2)n1 ZINC000272851913 497745114 /nfs/dbraw/zinc/74/51/14/497745114.db2.gz JTAZDAXJOIBTPL-LJQANCHMSA-N 1 3 370.566 3.266 20 0 FGADHO C[C@@H]1COCCN1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254406 505926908 /nfs/dbraw/zinc/92/69/08/505926908.db2.gz NQKMICOOKSFTDI-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800526 /nfs/dbraw/zinc/80/05/26/497800526.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 1 3 367.459 3.496 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800529 /nfs/dbraw/zinc/80/05/29/497800529.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 1 3 367.459 3.496 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947828 /nfs/dbraw/zinc/94/78/28/505947828.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947830 /nfs/dbraw/zinc/94/78/30/505947830.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 1 3 360.546 3.021 20 0 FGADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968844 /nfs/dbraw/zinc/96/88/44/497968844.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 1 3 372.456 3.121 20 0 FGADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968846 /nfs/dbraw/zinc/96/88/46/497968846.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 1 3 372.456 3.121 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218661 498025032 /nfs/dbraw/zinc/02/50/32/498025032.db2.gz XKUQPDYAFXFGMU-HKUYNNGSSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285218661 498025020 /nfs/dbraw/zinc/02/50/20/498025020.db2.gz XKUQPDYAFXFGMU-HKUYNNGSSA-N 1 3 355.526 3.208 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000285218661 498025039 /nfs/dbraw/zinc/02/50/39/498025039.db2.gz XKUQPDYAFXFGMU-HKUYNNGSSA-N 1 3 355.526 3.208 20 0 FGADHO Cc1cccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)c1 ZINC000575377353 505969631 /nfs/dbraw/zinc/96/96/31/505969631.db2.gz MHQZTCGBKSNGTB-LJQANCHMSA-N 1 3 374.550 3.298 20 0 FGADHO O=C1O[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130804 /nfs/dbraw/zinc/13/08/04/498130804.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 1 3 354.494 3.070 20 0 FGADHO O=C1O[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130809 /nfs/dbraw/zinc/13/08/09/498130809.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 1 3 354.494 3.070 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000578640409 505987147 /nfs/dbraw/zinc/98/71/47/505987147.db2.gz VAAFZTUVJXXSFK-BRWVUGGUSA-N 1 3 364.559 3.090 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000360384972 498270628 /nfs/dbraw/zinc/27/06/28/498270628.db2.gz JXWVOXMIWKGAQF-KKSFZXQISA-N 1 3 352.526 3.314 20 0 FGADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284741 /nfs/dbraw/zinc/28/47/41/498284741.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 1 3 358.482 3.068 20 0 FGADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284747 /nfs/dbraw/zinc/28/47/47/498284747.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 1 3 358.482 3.068 20 0 FGADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717096 498423855 /nfs/dbraw/zinc/42/38/55/498423855.db2.gz AXUIBBQJUFXXSI-ATIFRJIPSA-N 1 3 361.555 3.168 20 0 FGADHO c1nc(CCN2CCC(OCC[NH+]3CCCC3)CC2)oc1-c1ccccc1 ZINC000365371243 498429626 /nfs/dbraw/zinc/42/96/26/498429626.db2.gz ZGGGBWWPFSDJHL-UHFFFAOYSA-N 1 3 369.509 3.461 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000282229696 498432126 /nfs/dbraw/zinc/43/21/26/498432126.db2.gz PHQHYVWAQATLOG-NRFANRHFSA-N 1 3 358.526 3.082 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C[C@H](C)O1 ZINC000575953243 506040568 /nfs/dbraw/zinc/04/05/68/506040568.db2.gz MBLZVMJFLDAPMF-NPDDRXJXSA-N 1 3 372.553 3.461 20 0 FGADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578892350 506046281 /nfs/dbraw/zinc/04/62/81/506046281.db2.gz RHOPGBLMUODSBC-CALCHBBNSA-N 1 3 367.493 3.151 20 0 FGADHO CN1CCC2(CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000362619687 498525904 /nfs/dbraw/zinc/52/59/04/498525904.db2.gz CYBUFJLLCQFGSS-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290433210 498550544 /nfs/dbraw/zinc/55/05/44/498550544.db2.gz VFRXEKKSYGBZRD-CPHWIANGSA-N 1 3 364.489 3.266 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809673 506067616 /nfs/dbraw/zinc/06/76/16/506067616.db2.gz PUNPGPMSHAOHLL-HLIPFELVSA-N 1 3 368.949 3.346 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809673 506067619 /nfs/dbraw/zinc/06/76/19/506067619.db2.gz PUNPGPMSHAOHLL-HLIPFELVSA-N 1 3 368.949 3.346 20 0 FGADHO C[C@@H](O)[C@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298063926 498653814 /nfs/dbraw/zinc/65/38/14/498653814.db2.gz KIUFZGSAKUIUGP-GCJKJVERSA-N 1 3 353.510 3.270 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311520723 498752191 /nfs/dbraw/zinc/75/21/91/498752191.db2.gz JFBUISODLPZXEW-DYESRHJHSA-N 1 3 352.478 3.473 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000312681372 498761852 /nfs/dbraw/zinc/76/18/52/498761852.db2.gz KYZYYHQSKAUWKR-JZZBYWGLSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000312681372 498761856 /nfs/dbraw/zinc/76/18/56/498761856.db2.gz KYZYYHQSKAUWKR-JZZBYWGLSA-N 1 3 365.521 3.349 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCOCC1 ZINC000576146622 506087362 /nfs/dbraw/zinc/08/73/62/506087362.db2.gz XRFUMKMSCKBVMW-JKSUJKDBSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146622 506087364 /nfs/dbraw/zinc/08/73/64/506087364.db2.gz XRFUMKMSCKBVMW-JKSUJKDBSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(CCC[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000298451002 498776228 /nfs/dbraw/zinc/77/62/28/498776228.db2.gz OANFYAYAJZIFOD-UHFFFAOYSA-N 1 3 355.482 3.290 20 0 FGADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000298507721 498795922 /nfs/dbraw/zinc/79/59/22/498795922.db2.gz QUILQHLPYFEHEB-GOSISDBHSA-N 1 3 362.518 3.189 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618755 498816388 /nfs/dbraw/zinc/81/63/88/498816388.db2.gz JRJIIYSERAWAJR-WFXMLNOXSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618755 498816395 /nfs/dbraw/zinc/81/63/95/498816395.db2.gz JRJIIYSERAWAJR-WFXMLNOXSA-N 1 3 371.529 3.055 20 0 FGADHO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000581953633 506099880 /nfs/dbraw/zinc/09/98/80/506099880.db2.gz UWPZSMWFOJGELK-UTKZUKDTSA-N 1 3 353.510 3.212 20 0 FGADHO Cn1c2ccc(CNC[C@H]3CC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275132 498852903 /nfs/dbraw/zinc/85/29/03/498852903.db2.gz ARPZSJMBIVNUHC-RDTXWAMCSA-N 1 3 373.547 3.444 20 0 FGADHO Cn1c2ccc(CNC[C@H]3CC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275132 498852912 /nfs/dbraw/zinc/85/29/12/498852912.db2.gz ARPZSJMBIVNUHC-RDTXWAMCSA-N 1 3 373.547 3.444 20 0 FGADHO CC[C@@H](NCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000366296334 498863598 /nfs/dbraw/zinc/86/35/98/498863598.db2.gz SCBZNDBUKIMJTA-OAQYLSRUSA-N 1 3 369.557 3.420 20 0 FGADHO CC[C@@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000366296334 498863604 /nfs/dbraw/zinc/86/36/04/498863604.db2.gz SCBZNDBUKIMJTA-OAQYLSRUSA-N 1 3 369.557 3.420 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000287991316 498919384 /nfs/dbraw/zinc/91/93/84/498919384.db2.gz KXWQFHJYXXKSDH-YLJYHZDGSA-N 1 3 360.546 3.194 20 0 FGADHO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000573093849 506117645 /nfs/dbraw/zinc/11/76/45/506117645.db2.gz UNDUHXMDFVJXKM-FKBYEOEOSA-N 1 3 369.553 3.074 20 0 FGADHO Cc1n[nH]c(C)c1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000299073573 498957138 /nfs/dbraw/zinc/95/71/38/498957138.db2.gz VEPSEMJYFVYOKU-UHFFFAOYSA-N 1 3 355.530 3.027 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288221507 498970294 /nfs/dbraw/zinc/97/02/94/498970294.db2.gz SBNWZRXGXVLEPQ-HBFSDRIKSA-N 1 3 360.546 3.051 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288221507 498970291 /nfs/dbraw/zinc/97/02/91/498970291.db2.gz SBNWZRXGXVLEPQ-HBFSDRIKSA-N 1 3 360.546 3.051 20 0 FGADHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)C1 ZINC000366662493 499023002 /nfs/dbraw/zinc/02/30/02/499023002.db2.gz FTPDBBKYUFDXHE-YHELAOLJSA-N 1 3 361.574 3.410 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000573141700 506127085 /nfs/dbraw/zinc/12/70/85/506127085.db2.gz CYEGGXNMRVZNEL-UHFFFAOYSA-N 1 3 373.585 3.453 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196583 499066526 /nfs/dbraw/zinc/06/65/26/499066526.db2.gz SESIWDUNDRESSO-PKTZIBPZSA-N 1 3 371.569 3.228 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000367245961 499167730 /nfs/dbraw/zinc/16/77/30/499167730.db2.gz HZUMZYUVXDEATI-UZLBHIALSA-N 1 3 373.541 3.389 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000370111172 499182319 /nfs/dbraw/zinc/18/23/19/499182319.db2.gz KUXMLSAJGGVACO-YOEHRIQHSA-N 1 3 366.347 3.268 20 0 FGADHO COc1ccc2c(c1)CCC[C@@H]2[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000367675628 499223962 /nfs/dbraw/zinc/22/39/62/499223962.db2.gz YVJABWVHRKRLDA-QFIPXVFZSA-N 1 3 357.542 3.032 20 0 FGADHO C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370698717 499245348 /nfs/dbraw/zinc/24/53/48/499245348.db2.gz JZOHPKNOMFLNKG-MAUKXSAKSA-N 1 3 371.447 3.043 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370698717 499245349 /nfs/dbraw/zinc/24/53/49/499245349.db2.gz JZOHPKNOMFLNKG-MAUKXSAKSA-N 1 3 371.447 3.043 20 0 FGADHO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698970 499245811 /nfs/dbraw/zinc/24/58/11/499245811.db2.gz KISJEAGISXEUIV-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705975 499246280 /nfs/dbraw/zinc/24/62/80/499246280.db2.gz KQOWTPFNISFMTI-WMZHIEFXSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705975 499246282 /nfs/dbraw/zinc/24/62/82/499246282.db2.gz KQOWTPFNISFMTI-WMZHIEFXSA-N 1 3 371.569 3.466 20 0 FGADHO c1ccc2sc(N3CCC(N[C@@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110532 499289557 /nfs/dbraw/zinc/28/95/57/499289557.db2.gz ZITYZYAJJKQHGJ-IAGOWNOFSA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC(N[C@@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110532 499289559 /nfs/dbraw/zinc/28/95/59/499289559.db2.gz ZITYZYAJJKQHGJ-IAGOWNOFSA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC([NH2+][C@@H]4CCN5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110532 499289560 /nfs/dbraw/zinc/28/95/60/499289560.db2.gz ZITYZYAJJKQHGJ-IAGOWNOFSA-N 1 3 356.539 3.482 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649618 499317374 /nfs/dbraw/zinc/31/73/74/499317374.db2.gz HCDAJYIUHZVXNU-NSISKUIASA-N 1 3 374.525 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649618 499317376 /nfs/dbraw/zinc/31/73/76/499317376.db2.gz HCDAJYIUHZVXNU-NSISKUIASA-N 1 3 374.525 3.311 20 0 FGADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973034 499385481 /nfs/dbraw/zinc/38/54/81/499385481.db2.gz IAHLVXHTTHTNMY-ZDFPQIBNSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973034 499385484 /nfs/dbraw/zinc/38/54/84/499385484.db2.gz IAHLVXHTTHTNMY-ZDFPQIBNSA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)N(C)C)cc1 ZINC000371973034 499385486 /nfs/dbraw/zinc/38/54/86/499385486.db2.gz IAHLVXHTTHTNMY-ZDFPQIBNSA-N 1 3 359.558 3.077 20 0 FGADHO C[C@@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000371979572 499386324 /nfs/dbraw/zinc/38/63/24/499386324.db2.gz MORMFMLHUXBXDZ-QGZVFWFLSA-N 1 3 373.541 3.057 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1 ZINC000378201846 499489635 /nfs/dbraw/zinc/48/96/35/499489635.db2.gz KLDSSILQRLNIMO-KRWDZBQOSA-N 1 3 368.525 3.272 20 0 FGADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000378338199 499503262 /nfs/dbraw/zinc/50/32/62/499503262.db2.gz XZHWWSMWDUISMT-HXUWFJFHSA-N 1 3 370.541 3.093 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000375425890 499517620 /nfs/dbraw/zinc/51/76/20/499517620.db2.gz LLRVYUCZNXHTEJ-FQEVSTJZSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000375425890 499517622 /nfs/dbraw/zinc/51/76/22/499517622.db2.gz LLRVYUCZNXHTEJ-FQEVSTJZSA-N 1 3 365.521 3.043 20 0 FGADHO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000378568173 499532513 /nfs/dbraw/zinc/53/25/13/499532513.db2.gz JPTBJWKXWJLKLR-IRXDYDNUSA-N 1 3 359.514 3.127 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626612 499542440 /nfs/dbraw/zinc/54/24/40/499542440.db2.gz MEOAFJBDLVVUMG-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626612 499542441 /nfs/dbraw/zinc/54/24/41/499542441.db2.gz MEOAFJBDLVVUMG-CEMLEFRQSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383333873 499546717 /nfs/dbraw/zinc/54/67/17/499546717.db2.gz ZWZCVGYFYDKZCV-CUWPLCDZSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333873 499546719 /nfs/dbraw/zinc/54/67/19/499546719.db2.gz ZWZCVGYFYDKZCV-CUWPLCDZSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333873 499546720 /nfs/dbraw/zinc/54/67/20/499546720.db2.gz ZWZCVGYFYDKZCV-CUWPLCDZSA-N 1 3 372.484 3.066 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000388269793 499550214 /nfs/dbraw/zinc/55/02/14/499550214.db2.gz MZVARIDFYBMEQY-GOSISDBHSA-N 1 3 356.441 3.224 20 0 FGADHO Cc1ccnc([C@H](C)[NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781893 499555374 /nfs/dbraw/zinc/55/53/74/499555374.db2.gz BZPJJCXVVUXXRT-AVRDEDQJSA-N 1 3 353.510 3.486 20 0 FGADHO Cc1ccnc([C@H](C)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000375781893 499555375 /nfs/dbraw/zinc/55/53/75/499555375.db2.gz BZPJJCXVVUXXRT-AVRDEDQJSA-N 1 3 353.510 3.486 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076367 499566245 /nfs/dbraw/zinc/56/62/45/499566245.db2.gz QSXUHKGIOVVICX-YXYSEUPNSA-N 1 3 357.542 3.039 20 0 FGADHO C[C@@H]1CN(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192622 499709339 /nfs/dbraw/zinc/70/93/39/499709339.db2.gz RMMXJKQUKNPGAV-HXUWFJFHSA-N 1 3 371.569 3.358 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883687 499745079 /nfs/dbraw/zinc/74/50/79/499745079.db2.gz KOKXOXAOGCVYNJ-BHDDXSALSA-N 1 3 363.505 3.123 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1 ZINC000377883687 499745080 /nfs/dbraw/zinc/74/50/80/499745080.db2.gz KOKXOXAOGCVYNJ-BHDDXSALSA-N 1 3 363.505 3.123 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411516192 499750199 /nfs/dbraw/zinc/75/01/99/499750199.db2.gz JJIAGLIZJXHMMV-IBGZPJMESA-N 1 3 371.550 3.222 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411527361 499751441 /nfs/dbraw/zinc/75/14/41/499751441.db2.gz FVXUHXGVZVVYKM-GUDVDZBRSA-N 1 3 357.542 3.134 20 0 FGADHO CCc1ncc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000414261349 499772400 /nfs/dbraw/zinc/77/24/00/499772400.db2.gz HUPGEUHAKIVKJB-UHFFFAOYSA-N 1 3 367.541 3.039 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000414337665 499778939 /nfs/dbraw/zinc/77/89/39/499778939.db2.gz JIWZNNUTUPZLKY-QFIPXVFZSA-N 1 3 369.553 3.442 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nn1C ZINC000414361529 499780871 /nfs/dbraw/zinc/78/08/71/499780871.db2.gz CPFJCFRGPICAPP-ROUUACIJSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414383703 499784102 /nfs/dbraw/zinc/78/41/02/499784102.db2.gz UOEMAUJTBJMLRZ-MSOLQXFVSA-N 1 3 356.432 3.481 20 0 FGADHO C[C@H](c1ccccc1)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(N)=O ZINC000411756641 499787115 /nfs/dbraw/zinc/78/71/15/499787115.db2.gz KECQLHCGISNHHG-GCJKJVERSA-N 1 3 365.521 3.420 20 0 FGADHO O[C@@H]([C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798836 499792025 /nfs/dbraw/zinc/79/20/25/499792025.db2.gz JQANEXUZYYQDHC-ROUUACIJSA-N 1 3 356.432 3.418 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000412050550 499817545 /nfs/dbraw/zinc/81/75/45/499817545.db2.gz YRZLDBDNZCJIRX-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO COc1ccc(Br)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788508 499831322 /nfs/dbraw/zinc/83/13/22/499831322.db2.gz WTVPPHCUVHPUAR-KGLIPLIRSA-N 1 3 353.304 3.279 20 0 FGADHO Cc1cc(Br)cc(CNCC[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000414828652 499835051 /nfs/dbraw/zinc/83/50/51/499835051.db2.gz JDNQCMNVOCNQTH-NSHDSACASA-N 1 3 363.246 3.448 20 0 FGADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412343323 499846706 /nfs/dbraw/zinc/84/67/06/499846706.db2.gz ICFYJNSDYSLXPR-RXVVDRJESA-N 1 3 355.526 3.371 20 0 FGADHO COc1ccc(OCc2nc(CNC[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414993758 499852621 /nfs/dbraw/zinc/85/26/21/499852621.db2.gz CNTAVCYWZLVANQ-GJZGRUSLSA-N 1 3 361.511 3.338 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000415004493 499854123 /nfs/dbraw/zinc/85/41/23/499854123.db2.gz OGAJXYKSZNZBQL-IUODEOHRSA-N 1 3 363.303 3.446 20 0 FGADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066325 499860195 /nfs/dbraw/zinc/86/01/95/499860195.db2.gz AJXNIZBATCHAGU-BAGYTPMASA-N 1 3 356.558 3.470 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081812 499861731 /nfs/dbraw/zinc/86/17/31/499861731.db2.gz CGXIAHVJKZORDN-KKSFZXQISA-N 1 3 371.912 3.216 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415087123 499862250 /nfs/dbraw/zinc/86/22/50/499862250.db2.gz UAEHVWZFZIOVFL-WOIUINJBSA-N 1 3 359.558 3.308 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000415111988 499865299 /nfs/dbraw/zinc/86/52/99/499865299.db2.gz RQYAMXJDKZQSHR-SJORKVTESA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000415127276 499867320 /nfs/dbraw/zinc/86/73/20/499867320.db2.gz QTGXHFANUCJVCG-RDJZCZTQSA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129593 499867677 /nfs/dbraw/zinc/86/76/77/499867677.db2.gz VGLRFTMPMUKUPZ-AEFFLSMTSA-N 1 3 372.431 3.346 20 0 FGADHO C[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000415304737 499885163 /nfs/dbraw/zinc/88/51/63/499885163.db2.gz GEXTWQXZFDIYHE-XLIONFOSSA-N 1 3 374.529 3.142 20 0 FGADHO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891395 499924832 /nfs/dbraw/zinc/92/48/32/499924832.db2.gz GCXAKDFGNZBEEF-UHFFFAOYSA-N 1 3 358.530 3.452 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415898074 499925647 /nfs/dbraw/zinc/92/56/47/499925647.db2.gz GXGWXRJCRPGCGG-APWZRJJASA-N 1 3 352.482 3.363 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415971452 499935677 /nfs/dbraw/zinc/93/56/77/499935677.db2.gz JTQFEPUSQVFYAB-IRXDYDNUSA-N 1 3 374.529 3.048 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983620 499937159 /nfs/dbraw/zinc/93/71/59/499937159.db2.gz ZXPQNPAMUTXBQA-UHFFFAOYSA-N 1 3 354.498 3.174 20 0 FGADHO O=C(CCN1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000416169588 499967127 /nfs/dbraw/zinc/96/71/27/499967127.db2.gz FVHPUFYENLJVGW-UHFFFAOYSA-N 1 3 369.553 3.348 20 0 FGADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(Cl)c1OC ZINC000570439727 506168282 /nfs/dbraw/zinc/16/82/82/506168282.db2.gz YFAUQOKEVOBSLW-UHFFFAOYSA-N 1 3 358.935 3.274 20 0 FGADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570449168 506169821 /nfs/dbraw/zinc/16/98/21/506169821.db2.gz NHTRRGGJTWNOEK-SJORKVTESA-N 1 3 368.525 3.340 20 0 FGADHO CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351257 500023340 /nfs/dbraw/zinc/02/33/40/500023340.db2.gz MHQSVBUUBUQEHI-DXBBTUNJSA-N 1 3 369.553 3.135 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291946 500030164 /nfs/dbraw/zinc/03/01/64/500030164.db2.gz BONWQYSRKZTOMJ-CJNGLKHVSA-N 1 3 374.451 3.077 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417293178 500030883 /nfs/dbraw/zinc/03/08/83/500030883.db2.gz DZUJYBGIZOXTQZ-HEHGZKQESA-N 1 3 374.451 3.123 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000417310806 500036141 /nfs/dbraw/zinc/03/61/41/500036141.db2.gz KXTPGIIZJBLONF-ACRUOGEOSA-N 1 3 372.557 3.161 20 0 FGADHO CS[C@@H]1CC[C@@H]1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000425350987 500082430 /nfs/dbraw/zinc/08/24/30/500082430.db2.gz LVFKMFRZKMZMIW-VQTJNVASSA-N 1 3 364.555 3.160 20 0 FGADHO CS[C@@H]1CC[C@@H]1NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350987 500082434 /nfs/dbraw/zinc/08/24/34/500082434.db2.gz LVFKMFRZKMZMIW-VQTJNVASSA-N 1 3 364.555 3.160 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104364 /nfs/dbraw/zinc/10/43/64/500104364.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104369 /nfs/dbraw/zinc/10/43/69/500104369.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 1 3 357.542 3.150 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N(C)Cc1ccccc1 ZINC000417591727 500119423 /nfs/dbraw/zinc/11/94/23/500119423.db2.gz SMKVUIZVKSVFFF-GHTZIAJQSA-N 1 3 368.525 3.286 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000417644546 500135714 /nfs/dbraw/zinc/13/57/14/500135714.db2.gz AJPUHKOZRFJMOM-UTKZUKDTSA-N 1 3 366.509 3.170 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849253 500137797 /nfs/dbraw/zinc/13/77/97/500137797.db2.gz XRABOTVTYAYCIL-RTWAWAEBSA-N 1 3 372.557 3.101 20 0 FGADHO CN(CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874314 500145021 /nfs/dbraw/zinc/14/50/21/500145021.db2.gz PIERSMKDQORVGZ-NHCUHLMSSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677579 500147161 /nfs/dbraw/zinc/14/71/61/500147161.db2.gz GCLHTCPXVUHACN-UTKZUKDTSA-N 1 3 372.557 3.419 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421824631 500160457 /nfs/dbraw/zinc/16/04/57/500160457.db2.gz JOYMULRYNQAXQV-KKSFZXQISA-N 1 3 363.521 3.149 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830971 500161368 /nfs/dbraw/zinc/16/13/68/500161368.db2.gz CEKCZQKPKNWRHZ-PCCBWWKXSA-N 1 3 364.505 3.499 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1ccsc1 ZINC000417006547 500182431 /nfs/dbraw/zinc/18/24/31/500182431.db2.gz JSTUHQWMTRJDOX-HYVNUMGLSA-N 1 3 352.548 3.042 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000417021722 500185497 /nfs/dbraw/zinc/18/54/97/500185497.db2.gz KBAQFFLBYFZFSC-LAUBAEHRSA-N 1 3 366.509 3.343 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417860903 500186013 /nfs/dbraw/zinc/18/60/13/500186013.db2.gz ZJDWYNDAUAVLLO-VAMGGRTRSA-N 1 3 354.498 3.012 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2COC(C)(C)C2)cc1OC ZINC000417863760 500187247 /nfs/dbraw/zinc/18/72/47/500187247.db2.gz AYDHTRVKMXHUEM-QGZVFWFLSA-N 1 3 350.503 3.073 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)n(C)n1 ZINC000417966887 500206247 /nfs/dbraw/zinc/20/62/47/500206247.db2.gz NQXPJQHXWDBARC-ROUUACIJSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966883 500206337 /nfs/dbraw/zinc/20/63/37/500206337.db2.gz NQXPJQHXWDBARC-HDICACEKSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1cc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966883 500206338 /nfs/dbraw/zinc/20/63/38/500206338.db2.gz NQXPJQHXWDBARC-HDICACEKSA-N 1 3 370.541 3.027 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000430214062 500209880 /nfs/dbraw/zinc/20/98/80/500209880.db2.gz WNBBPBGJAPVWES-QFIPXVFZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017108 500214700 /nfs/dbraw/zinc/21/47/00/500214700.db2.gz RZMWDELSLZMSMY-XGHQBKJUSA-N 1 3 366.509 3.026 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000418088016 500227787 /nfs/dbraw/zinc/22/77/87/500227787.db2.gz FGQMKXRAFKNEEG-UHFFFAOYSA-N 1 3 357.542 3.362 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)C ZINC000418182906 500244235 /nfs/dbraw/zinc/24/42/35/500244235.db2.gz NJVCOFLIOLPXHW-QMMLZNLJSA-N 1 3 372.557 3.160 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189210 500245862 /nfs/dbraw/zinc/24/58/62/500245862.db2.gz VDCFMKGYQRZPCK-ABHNRTSZSA-N 1 3 366.937 3.292 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191371 500246143 /nfs/dbraw/zinc/24/61/43/500246143.db2.gz KPLMVJQKGVKEGA-CSODHUTKSA-N 1 3 366.509 3.169 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C ZINC000418193323 500246947 /nfs/dbraw/zinc/24/69/47/500246947.db2.gz ZIHWHGLNJQGYER-UYAOXDASSA-N 1 3 372.557 3.161 20 0 FGADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000582316850 506185209 /nfs/dbraw/zinc/18/52/09/506185209.db2.gz HGRSOBQSWVFRCO-UHFFFAOYSA-N 1 3 367.493 3.289 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577670 500257214 /nfs/dbraw/zinc/25/72/14/500257214.db2.gz CYMIOUWVBGYKMO-CQSZACIVSA-N 1 3 374.298 3.222 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000418347594 500265736 /nfs/dbraw/zinc/26/57/36/500265736.db2.gz IOCVLFDHMLUDAX-SFTDATJTSA-N 1 3 372.557 3.470 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425234 500274798 /nfs/dbraw/zinc/27/47/98/500274798.db2.gz JFFGQCZNJBRJAB-IBGZPJMESA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000418470366 500280465 /nfs/dbraw/zinc/28/04/65/500280465.db2.gz UWSJETMXWHFBIT-MRXNPFEDSA-N 1 3 372.488 3.119 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641162 500285170 /nfs/dbraw/zinc/28/51/70/500285170.db2.gz XGRFXSQQYLQSFP-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1CN ZINC000422641162 500285172 /nfs/dbraw/zinc/28/51/72/500285172.db2.gz XGRFXSQQYLQSFP-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1CN ZINC000422641162 500285173 /nfs/dbraw/zinc/28/51/73/500285173.db2.gz XGRFXSQQYLQSFP-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641164 500285535 /nfs/dbraw/zinc/28/55/35/500285535.db2.gz XGRFXSQQYLQSFP-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1CN ZINC000422641164 500285538 /nfs/dbraw/zinc/28/55/38/500285538.db2.gz XGRFXSQQYLQSFP-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1CN ZINC000422641164 500285540 /nfs/dbraw/zinc/28/55/40/500285540.db2.gz XGRFXSQQYLQSFP-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@H](COc1cccc(F)c1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740685 500292387 /nfs/dbraw/zinc/29/23/87/500292387.db2.gz OCVUZEFHBJEYFV-JJXUHFIVSA-N 1 3 356.441 3.439 20 0 FGADHO CC1CCN([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000422744825 500293307 /nfs/dbraw/zinc/29/33/07/500293307.db2.gz WROYDLMYEXGDBF-WBADGQHESA-N 1 3 371.569 3.206 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750863 500294076 /nfs/dbraw/zinc/29/40/76/500294076.db2.gz DSHGRRBJKLBWIY-CHWSQXEVSA-N 1 3 356.869 3.451 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422758144 500294433 /nfs/dbraw/zinc/29/44/33/500294433.db2.gz NOLMECKWILWVEQ-MBDNFAEBSA-N 1 3 357.542 3.342 20 0 FGADHO COc1cccc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422759309 500294741 /nfs/dbraw/zinc/29/47/41/500294741.db2.gz KRUFVTTZXRBZBA-LZNRXBQRSA-N 1 3 353.510 3.212 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772289 500295636 /nfs/dbraw/zinc/29/56/36/500295636.db2.gz WPODFTCIQYHVDF-RXVVDRJESA-N 1 3 357.542 3.439 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797886 500298819 /nfs/dbraw/zinc/29/88/19/500298819.db2.gz OWSLNFNJBYVTBP-WTVLQJKYSA-N 1 3 354.897 3.140 20 0 FGADHO CS(=O)(=O)c1cccc([C@@H](NC2CCC(C[NH3+])CC2)c2ccccc2)c1 ZINC000422798412 500299093 /nfs/dbraw/zinc/29/90/93/500299093.db2.gz QYHGERFAUXQYDA-IOYBJCICSA-N 1 3 372.534 3.287 20 0 FGADHO Fc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000422818757 500302130 /nfs/dbraw/zinc/30/21/30/500302130.db2.gz LEOCPZCPXWKLKW-FXAWDEMLSA-N 1 3 360.404 3.189 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1COCc1ccccc1 ZINC000422858799 500306419 /nfs/dbraw/zinc/30/64/19/500306419.db2.gz JHWBVFZYIHWJJE-HSQYWUDLSA-N 1 3 354.494 3.245 20 0 FGADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935348 500309562 /nfs/dbraw/zinc/30/95/62/500309562.db2.gz POGLSMNVEYGOGL-ULQDDVLXSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430935193 500309623 /nfs/dbraw/zinc/30/96/23/500309623.db2.gz PGRPCQCLUUGNRZ-IKGGRYGDSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@@H](CCCC[NH3+])N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422878604 500309811 /nfs/dbraw/zinc/30/98/11/500309811.db2.gz JIMRNPWBTBFSKS-YOEHRIQHSA-N 1 3 371.447 3.476 20 0 FGADHO c1ccc2cc(OCCCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422883918 500310168 /nfs/dbraw/zinc/31/01/68/500310168.db2.gz DGVOQNRIIHYSRO-BHIFYINESA-N 1 3 354.494 3.355 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906888 500314324 /nfs/dbraw/zinc/31/43/24/500314324.db2.gz KNPXCJQJIDNTNC-WBVHZDCISA-N 1 3 374.479 3.442 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917600 500316319 /nfs/dbraw/zinc/31/63/19/500316319.db2.gz GNDBLIOLZXVXIG-MFKMUULPSA-N 1 3 351.800 3.240 20 0 FGADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422926729 500317641 /nfs/dbraw/zinc/31/76/41/500317641.db2.gz DTCCQEAFVVNZPN-FUHIMQAGSA-N 1 3 361.530 3.020 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418750130 500318007 /nfs/dbraw/zinc/31/80/07/500318007.db2.gz NNZRQVQOLIBXMN-HMXCVIKNSA-N 1 3 372.557 3.213 20 0 FGADHO Brc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422951240 500322869 /nfs/dbraw/zinc/32/28/69/500322869.db2.gz ZYRGDRCATMVWQL-GVDBMIGSSA-N 1 3 353.304 3.338 20 0 FGADHO C[C@@H](NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949891 500322885 /nfs/dbraw/zinc/32/28/85/500322885.db2.gz UWGCSIAVELIDRO-VKJFTORMSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431015204 500323393 /nfs/dbraw/zinc/32/33/93/500323393.db2.gz SDTDWQWGNINXHJ-QGZVFWFLSA-N 1 3 351.494 3.093 20 0 FGADHO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(CN)nc3C)cc2)n1 ZINC000422959316 500324028 /nfs/dbraw/zinc/32/40/28/500324028.db2.gz RMKLFSZPHHRUFR-CQSZACIVSA-N 1 3 365.481 3.354 20 0 FGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431017534 500324287 /nfs/dbraw/zinc/32/42/87/500324287.db2.gz QVLJAJTYTZYHGU-UHFFFAOYSA-N 1 3 370.324 3.027 20 0 FGADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]3CN3CCCCC3)ccc21 ZINC000431036892 500326901 /nfs/dbraw/zinc/32/69/01/500326901.db2.gz HCYMINNJLOIXCH-FQEVSTJZSA-N 1 3 368.525 3.081 20 0 FGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423009323 500330207 /nfs/dbraw/zinc/33/02/07/500330207.db2.gz CPWOFYGWTAXPJA-KZNAEPCWSA-N 1 3 352.906 3.028 20 0 FGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423009324 500330595 /nfs/dbraw/zinc/33/05/95/500330595.db2.gz CPWOFYGWTAXPJA-OKZBNKHCSA-N 1 3 352.906 3.028 20 0 FGADHO Fc1cccc(NCCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035581 500333681 /nfs/dbraw/zinc/33/36/81/500333681.db2.gz RWSADXRKFVQDJW-TZIWHRDSSA-N 1 3 355.457 3.473 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000423036168 500333716 /nfs/dbraw/zinc/33/37/16/500333716.db2.gz ABVUNWKLAKILAH-INIZCTEOSA-N 1 3 369.465 3.347 20 0 FGADHO CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)c1ccc(OC)c(OC)c1 ZINC000423044387 500334254 /nfs/dbraw/zinc/33/42/54/500334254.db2.gz BDKQDMKAYBYVBZ-RYQLBKOJSA-N 1 3 364.530 3.104 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048769 500335280 /nfs/dbraw/zinc/33/52/80/500335280.db2.gz ITCPTGOZDKACFH-QWHCGFSZSA-N 1 3 357.420 3.025 20 0 FGADHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087748 500340260 /nfs/dbraw/zinc/34/02/60/500340260.db2.gz QGJBDAWMBAODSX-KWXGJIJISA-N 1 3 359.480 3.302 20 0 FGADHO [NH3+]CC1CCC(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000423097955 500341605 /nfs/dbraw/zinc/34/16/05/500341605.db2.gz RPQMDXQSMDULLW-QHAMSDLMSA-N 1 3 350.812 3.499 20 0 FGADHO FC(F)O[C@@H]1CCCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103507 500342587 /nfs/dbraw/zinc/34/25/87/500342587.db2.gz AUCPWSPGUYUIFM-GFIVTLFCSA-N 1 3 352.425 3.382 20 0 FGADHO CC(C)[C@H]([NH3+])CN[C@H](C)CCc1ccc(I)cc1 ZINC000423272594 500360378 /nfs/dbraw/zinc/36/03/78/500360378.db2.gz JWJQFWQFEALQIW-IUODEOHRSA-N 1 3 360.283 3.185 20 0 FGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423368807 500367246 /nfs/dbraw/zinc/36/72/46/500367246.db2.gz DIRYPAORMGYSIV-AWEZNQCLSA-N 1 3 350.466 3.425 20 0 FGADHO COCC1(CN[C@H](c2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423410726 500371928 /nfs/dbraw/zinc/37/19/28/500371928.db2.gz SOSNVVDFWCUPGK-OAQYLSRUSA-N 1 3 354.494 3.390 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000423479277 500377643 /nfs/dbraw/zinc/37/76/43/500377643.db2.gz UXPPDFBEEGQCHN-PPQDBTBKSA-N 1 3 358.501 3.456 20 0 FGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423511471 500380603 /nfs/dbraw/zinc/38/06/03/500380603.db2.gz TUOSZSMKJOHPAQ-KXBFYZLASA-N 1 3 361.511 3.189 20 0 FGADHO [NH3+]C1(CN[C@@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000423545494 500383699 /nfs/dbraw/zinc/38/36/99/500383699.db2.gz CRTZCHPTMUQFBS-OAQYLSRUSA-N 1 3 365.521 3.483 20 0 FGADHO COc1ccc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000423544034 500383833 /nfs/dbraw/zinc/38/38/33/500383833.db2.gz CDJOVBABHXZZNS-GOSISDBHSA-N 1 3 353.510 3.339 20 0 FGADHO COc1ccc2c(c1)[C@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CC2 ZINC000423574221 500386002 /nfs/dbraw/zinc/38/60/02/500386002.db2.gz PCFFVHUFOYYXEZ-JOCHJYFZSA-N 1 3 365.521 3.266 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000423968801 500426303 /nfs/dbraw/zinc/42/63/03/500426303.db2.gz KRIVQTQDVTYZJD-OAQYLSRUSA-N 1 3 351.494 3.492 20 0 FGADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300656 500436841 /nfs/dbraw/zinc/43/68/41/500436841.db2.gz VBWHJEOBZBMCJX-YLJYHZDGSA-N 1 3 357.523 3.157 20 0 FGADHO NC[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420300656 500436843 /nfs/dbraw/zinc/43/68/43/500436843.db2.gz VBWHJEOBZBMCJX-YLJYHZDGSA-N 1 3 357.523 3.157 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299026 500437021 /nfs/dbraw/zinc/43/70/21/500437021.db2.gz GBZSHIGFUHZCIZ-INIZCTEOSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299026 500437022 /nfs/dbraw/zinc/43/70/22/500437022.db2.gz GBZSHIGFUHZCIZ-INIZCTEOSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299026 500437023 /nfs/dbraw/zinc/43/70/23/500437023.db2.gz GBZSHIGFUHZCIZ-INIZCTEOSA-N 1 3 350.409 3.471 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312900 500439338 /nfs/dbraw/zinc/43/93/38/500439338.db2.gz XOGPORJECWVZQP-RTWAWAEBSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312900 500439341 /nfs/dbraw/zinc/43/93/41/500439341.db2.gz XOGPORJECWVZQP-RTWAWAEBSA-N 1 3 354.494 3.071 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000420312900 500439344 /nfs/dbraw/zinc/43/93/44/500439344.db2.gz XOGPORJECWVZQP-RTWAWAEBSA-N 1 3 354.494 3.071 20 0 FGADHO c1ccc(COc2cncc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320258 500440654 /nfs/dbraw/zinc/44/06/54/500440654.db2.gz BCKQOAJZEKOTFM-NHCUHLMSSA-N 1 3 351.494 3.482 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272404 500479930 /nfs/dbraw/zinc/47/99/30/500479930.db2.gz UCPRCYKHJCEATD-MJGOQNOKSA-N 1 3 358.555 3.043 20 0 FGADHO CC(C)[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285924 500481219 /nfs/dbraw/zinc/48/12/19/500481219.db2.gz GIFMMWCIRHHNJC-UZLBHIALSA-N 1 3 361.505 3.103 20 0 FGADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297575 500483136 /nfs/dbraw/zinc/48/31/36/500483136.db2.gz SYROPUHKISWDQM-HOTGVXAUSA-N 1 3 363.933 3.323 20 0 FGADHO COC(=O)CC1CC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000424323315 500486606 /nfs/dbraw/zinc/48/66/06/500486606.db2.gz VUQFWTWHGJAVDL-UHFFFAOYSA-N 1 3 364.917 3.483 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C1CC1 ZINC000420838823 500512970 /nfs/dbraw/zinc/51/29/70/500512970.db2.gz RRKQDYHWUFYTQR-CBNMVNINSA-N 1 3 372.557 3.069 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545174 /nfs/dbraw/zinc/54/51/74/500545174.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 1 3 360.546 3.069 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545177 /nfs/dbraw/zinc/54/51/77/500545177.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 1 3 360.546 3.069 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000447272032 500582991 /nfs/dbraw/zinc/58/29/91/500582991.db2.gz BLKBUGZMSVGLNY-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000447272032 500582993 /nfs/dbraw/zinc/58/29/93/500582993.db2.gz BLKBUGZMSVGLNY-UHFFFAOYSA-N 1 3 364.534 3.007 20 0 FGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762162 500621747 /nfs/dbraw/zinc/62/17/47/500621747.db2.gz QEMBJILASUOMCI-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762162 500621750 /nfs/dbraw/zinc/62/17/50/500621750.db2.gz QEMBJILASUOMCI-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762162 500621754 /nfs/dbraw/zinc/62/17/54/500621754.db2.gz QEMBJILASUOMCI-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCOCC[NH+](C)C ZINC000447600876 500632143 /nfs/dbraw/zinc/63/21/43/500632143.db2.gz NIPQMXWAYRIQDU-ZDUSSCGKSA-N 1 3 351.491 3.486 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724782 500653966 /nfs/dbraw/zinc/65/39/66/500653966.db2.gz YHJFCIGMXAAOTC-RBUKOAKNSA-N 1 3 357.498 3.417 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724782 500653969 /nfs/dbraw/zinc/65/39/69/500653969.db2.gz YHJFCIGMXAAOTC-RBUKOAKNSA-N 1 3 357.498 3.417 20 0 FGADHO COc1ccc([C@H](CNc2ccnc3ccccc32)[NH+](C)C)cc1OC ZINC000443444933 500725744 /nfs/dbraw/zinc/72/57/44/500725744.db2.gz PVUIXPAQYRKYIZ-IBGZPJMESA-N 1 3 351.450 3.389 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762373 /nfs/dbraw/zinc/76/23/73/500762373.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 1 3 372.557 3.194 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762374 /nfs/dbraw/zinc/76/23/74/500762374.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 1 3 372.557 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000448551364 500771501 /nfs/dbraw/zinc/77/15/01/500771501.db2.gz LBZPOYAZXCZHQX-OAQYLSRUSA-N 1 3 353.510 3.261 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@H]4CCC[C@H](C)C4)CC3)CC2)n[nH]1 ZINC000439146044 500863820 /nfs/dbraw/zinc/86/38/20/500863820.db2.gz LADUXSVXIHBRPZ-JXFKEZNVSA-N 1 3 359.562 3.320 20 0 FGADHO COc1cc(OC)cc(N2CCC[N@H+](CCCN3CCCCC3)CC2)c1 ZINC000444603276 500864726 /nfs/dbraw/zinc/86/47/26/500864726.db2.gz RKDDYCXHGYDQBZ-UHFFFAOYSA-N 1 3 361.530 3.092 20 0 FGADHO COc1cc(OC)cc(N2CCC[N@@H+](CCCN3CCCCC3)CC2)c1 ZINC000444603276 500864727 /nfs/dbraw/zinc/86/47/27/500864727.db2.gz RKDDYCXHGYDQBZ-UHFFFAOYSA-N 1 3 361.530 3.092 20 0 FGADHO COc1cc(F)cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000449231723 500953256 /nfs/dbraw/zinc/95/32/56/500953256.db2.gz FSYZQWMBUJGQJQ-HXUWFJFHSA-N 1 3 358.457 3.081 20 0 FGADHO COc1cc(F)cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000449231723 500953259 /nfs/dbraw/zinc/95/32/59/500953259.db2.gz FSYZQWMBUJGQJQ-HXUWFJFHSA-N 1 3 358.457 3.081 20 0 FGADHO C[NH2+]CCC1CCN(Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000435382344 500964576 /nfs/dbraw/zinc/96/45/76/500964576.db2.gz YYTTUUNUJKDFNO-UHFFFAOYSA-N 1 3 360.454 3.050 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCCO[C@H](C)C2)CC1 ZINC000449283366 500965743 /nfs/dbraw/zinc/96/57/43/500965743.db2.gz LMOLOPMQHQPPQT-NHCUHLMSSA-N 1 3 373.585 3.173 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2csc(C)c2)CC1 ZINC000449321249 500976974 /nfs/dbraw/zinc/97/69/74/500976974.db2.gz RSYNLUOSOMWFOX-UHFFFAOYSA-N 1 3 351.560 3.117 20 0 FGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449363708 500987642 /nfs/dbraw/zinc/98/76/42/500987642.db2.gz QIKQUMZNLOYUOK-MBSDFSHPSA-N 1 3 370.512 3.414 20 0 FGADHO COc1cc(OC)c(C[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000449469356 501011065 /nfs/dbraw/zinc/01/10/65/501011065.db2.gz TWKGFPNNCCNCHP-OAHLLOKOSA-N 1 3 364.530 3.496 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777814 501084055 /nfs/dbraw/zinc/08/40/55/501084055.db2.gz VPFUFXYIHBIGMK-BTHPGYMESA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@H](c4nccn4C)C3)CC2)C1 ZINC000449777814 501084058 /nfs/dbraw/zinc/08/40/58/501084058.db2.gz VPFUFXYIHBIGMK-BTHPGYMESA-N 1 3 360.546 3.273 20 0 FGADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000450386924 501108115 /nfs/dbraw/zinc/10/81/15/501108115.db2.gz IBBSMJZKZQYRHQ-NRFANRHFSA-N 1 3 370.541 3.211 20 0 FGADHO CC[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000457705441 501291809 /nfs/dbraw/zinc/29/18/09/501291809.db2.gz ZJHAMTANGCJLHK-FQEVSTJZSA-N 1 3 374.573 3.243 20 0 FGADHO CCn1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)c1=O ZINC000453208532 501292087 /nfs/dbraw/zinc/29/20/87/501292087.db2.gz BYLUZACOOSBVIP-VSKRKVRLSA-N 1 3 365.521 3.401 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1cccnc1 ZINC000453234376 501295398 /nfs/dbraw/zinc/29/53/98/501295398.db2.gz SGHYOGRHIVUWHO-MYDTUXCISA-N 1 3 365.521 3.190 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1cccnc1 ZINC000453234376 501295402 /nfs/dbraw/zinc/29/54/02/501295402.db2.gz SGHYOGRHIVUWHO-MYDTUXCISA-N 1 3 365.521 3.190 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453251131 501299185 /nfs/dbraw/zinc/29/91/85/501299185.db2.gz LCQQHDNVQNXGQY-OTWHNJEPSA-N 1 3 356.539 3.422 20 0 FGADHO Cc1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453251131 501299189 /nfs/dbraw/zinc/29/91/89/501299189.db2.gz LCQQHDNVQNXGQY-OTWHNJEPSA-N 1 3 356.539 3.422 20 0 FGADHO CN1CCO[C@@H]([C@H](NCCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420159 501328144 /nfs/dbraw/zinc/32/81/44/501328144.db2.gz ZJSCITQISRNFCX-WOJBJXKFSA-N 1 3 365.949 3.176 20 0 FGADHO CN1CCO[C@@H]([C@H](NCCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420159 501328145 /nfs/dbraw/zinc/32/81/45/501328145.db2.gz ZJSCITQISRNFCX-WOJBJXKFSA-N 1 3 365.949 3.176 20 0 FGADHO Cn1nncc1CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597253 501357630 /nfs/dbraw/zinc/35/76/30/501357630.db2.gz LEWJAVAYGABTEB-JOCHJYFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cn1nncc1C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453597253 501357631 /nfs/dbraw/zinc/35/76/31/501357631.db2.gz LEWJAVAYGABTEB-JOCHJYFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cn1nncc1C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453597253 501357633 /nfs/dbraw/zinc/35/76/33/501357633.db2.gz LEWJAVAYGABTEB-JOCHJYFZSA-N 1 3 367.541 3.472 20 0 FGADHO Cc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206652 501393091 /nfs/dbraw/zinc/39/30/91/501393091.db2.gz ZVFFQULPCHANFQ-IBGZPJMESA-N 1 3 359.514 3.281 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000458430784 501443119 /nfs/dbraw/zinc/44/31/19/501443119.db2.gz YFLAXARFSMEGDI-KRWDZBQOSA-N 1 3 368.591 3.188 20 0 FGADHO CSC1(CNCc2ccc3ccc(F)c(F)c3n2)CC[NH+](C)CC1 ZINC000602668888 506254538 /nfs/dbraw/zinc/25/45/38/506254538.db2.gz XVPKHWPCIKEQBU-UHFFFAOYSA-N 1 3 351.466 3.430 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464613 /nfs/dbraw/zinc/46/46/13/501464613.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464616 /nfs/dbraw/zinc/46/46/16/501464616.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 1 3 372.557 3.021 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)NCCCN1CCc2ccccc2C1 ZINC000454242401 501489877 /nfs/dbraw/zinc/48/98/77/501489877.db2.gz KEFCLYCCGBWMOU-UHFFFAOYSA-N 1 3 372.557 3.000 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000458689413 501508736 /nfs/dbraw/zinc/50/87/36/501508736.db2.gz SSDAQFLKZRALHV-CEWLAPEOSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689413 501508738 /nfs/dbraw/zinc/50/87/38/501508738.db2.gz SSDAQFLKZRALHV-CEWLAPEOSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)C ZINC000458788369 501531708 /nfs/dbraw/zinc/53/17/08/501531708.db2.gz XYQBGUSALKYHCA-UWJYYQICSA-N 1 3 372.557 3.302 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000458935360 501561913 /nfs/dbraw/zinc/56/19/13/501561913.db2.gz LUTRZLRHFPTUBG-FQEVSTJZSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459271215 501622918 /nfs/dbraw/zinc/62/29/18/501622918.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459271215 501622919 /nfs/dbraw/zinc/62/29/19/501622919.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCOc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1O ZINC000459329958 501632268 /nfs/dbraw/zinc/63/22/68/501632268.db2.gz RYMJXRBBLGPZPN-IAGOWNOFSA-N 1 3 362.514 3.112 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603049 501740128 /nfs/dbraw/zinc/74/01/28/501740128.db2.gz SAZSSKJTXLBWRD-DLBZAZTESA-N 1 3 371.447 3.299 20 0 FGADHO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470603049 501740131 /nfs/dbraw/zinc/74/01/31/501740131.db2.gz SAZSSKJTXLBWRD-DLBZAZTESA-N 1 3 371.447 3.299 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000460178690 501750077 /nfs/dbraw/zinc/75/00/77/501750077.db2.gz WJZLVKWCOCOKIQ-IBGZPJMESA-N 1 3 374.573 3.379 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000460178690 501750079 /nfs/dbraw/zinc/75/00/79/501750079.db2.gz WJZLVKWCOCOKIQ-IBGZPJMESA-N 1 3 374.573 3.379 20 0 FGADHO C[NH+](C)CC1(C(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000460196257 501756349 /nfs/dbraw/zinc/75/63/49/501756349.db2.gz VLATXHVRRRUPHW-UHFFFAOYSA-N 1 3 357.542 3.063 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000467337676 501773801 /nfs/dbraw/zinc/77/38/01/501773801.db2.gz FDEHTJVUUHBYCP-DOXZYTNZSA-N 1 3 350.478 3.301 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000467353854 501775654 /nfs/dbraw/zinc/77/56/54/501775654.db2.gz BDOGAUCHSSZOBQ-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000467353854 501775661 /nfs/dbraw/zinc/77/56/61/501775661.db2.gz BDOGAUCHSSZOBQ-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000467353854 501775667 /nfs/dbraw/zinc/77/56/67/501775667.db2.gz BDOGAUCHSSZOBQ-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470752965 501791699 /nfs/dbraw/zinc/79/16/99/501791699.db2.gz CLADIQDKBFFPNA-OAQYLSRUSA-N 1 3 374.573 3.411 20 0 FGADHO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343618 501797717 /nfs/dbraw/zinc/79/77/17/501797717.db2.gz PJNGWPVNBMVOCJ-PXUBBOAPSA-N 1 3 371.569 3.237 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1)N(C)C ZINC000477877164 501817177 /nfs/dbraw/zinc/81/71/77/501817177.db2.gz KLDXNRAYHALGPU-NQIIRXRSSA-N 1 3 374.573 3.406 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000460465545 501830013 /nfs/dbraw/zinc/83/00/13/501830013.db2.gz FWAKRPAAQGMAQE-RTBURBONSA-N 1 3 352.567 3.157 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836503 /nfs/dbraw/zinc/83/65/03/501836503.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836504 /nfs/dbraw/zinc/83/65/04/501836504.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000460484404 501836625 /nfs/dbraw/zinc/83/66/25/501836625.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000460484404 501836632 /nfs/dbraw/zinc/83/66/32/501836632.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 1 3 374.573 3.317 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470885625 501842442 /nfs/dbraw/zinc/84/24/42/501842442.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470885625 501842443 /nfs/dbraw/zinc/84/24/43/501842443.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000474464487 501844469 /nfs/dbraw/zinc/84/44/69/501844469.db2.gz POTKKULXSZNUDL-FCHUYYIVSA-N 1 3 359.558 3.119 20 0 FGADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000474477066 501849657 /nfs/dbraw/zinc/84/96/57/501849657.db2.gz YXTXOYLVTOELMH-UHFFFAOYSA-N 1 3 362.514 3.229 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000458776453 501869799 /nfs/dbraw/zinc/86/97/99/501869799.db2.gz NLTSJHTXULOFDN-MJGOQNOKSA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCCCC1 ZINC000611737976 506278882 /nfs/dbraw/zinc/27/88/82/506278882.db2.gz CBYIQISVNAHTFJ-OAQYLSRUSA-N 1 3 374.573 3.448 20 0 FGADHO CN(C)CCOc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000464086175 501895695 /nfs/dbraw/zinc/89/56/95/501895695.db2.gz TYSSJNHNQMOTNX-UHFFFAOYSA-N 1 3 354.494 3.464 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582541685 506283979 /nfs/dbraw/zinc/28/39/79/506283979.db2.gz NSCHDFARUIVXSS-GOSISDBHSA-N 1 3 358.448 3.319 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)CC1CCCC1 ZINC000482033580 501952206 /nfs/dbraw/zinc/95/22/06/501952206.db2.gz OVYHFSHZGGMVLZ-GHTZIAJQSA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)CC1CCCC1 ZINC000482033580 501952209 /nfs/dbraw/zinc/95/22/09/501952209.db2.gz OVYHFSHZGGMVLZ-GHTZIAJQSA-N 1 3 357.542 3.183 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000474966393 502006383 /nfs/dbraw/zinc/00/63/83/502006383.db2.gz KUPJPZBVZOLCHI-NRFANRHFSA-N 1 3 373.585 3.472 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000474979547 502010815 /nfs/dbraw/zinc/01/08/15/502010815.db2.gz TVNYFUOFEJSRFV-NRFANRHFSA-N 1 3 373.585 3.472 20 0 FGADHO CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475020051 502023677 /nfs/dbraw/zinc/02/36/77/502023677.db2.gz XFQRGFCIZWBOOD-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416441 502053690 /nfs/dbraw/zinc/05/36/90/502053690.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416441 502053696 /nfs/dbraw/zinc/05/36/96/502053696.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 1 3 357.542 3.408 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128159 502069558 /nfs/dbraw/zinc/06/95/58/502069558.db2.gz FWYCIUULSUMLGB-PZJWPPBQSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000475149403 502081529 /nfs/dbraw/zinc/08/15/29/502081529.db2.gz DMDWRHPSLSBWST-NRFANRHFSA-N 1 3 365.521 3.465 20 0 FGADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378073 502086128 /nfs/dbraw/zinc/08/61/28/502086128.db2.gz XALWATNPFPZNDC-FQEVSTJZSA-N 1 3 372.557 3.267 20 0 FGADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378073 502086132 /nfs/dbraw/zinc/08/61/32/502086132.db2.gz XALWATNPFPZNDC-FQEVSTJZSA-N 1 3 372.557 3.267 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526067 502099998 /nfs/dbraw/zinc/09/99/98/502099998.db2.gz SMULXXFKAZXGSZ-MJGOQNOKSA-N 1 3 371.525 3.411 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526067 502100003 /nfs/dbraw/zinc/10/00/03/502100003.db2.gz SMULXXFKAZXGSZ-MJGOQNOKSA-N 1 3 371.525 3.411 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568662 502113795 /nfs/dbraw/zinc/11/37/95/502113795.db2.gz IIGAGYDLUBAXMG-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO CC[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)N(CC)CC ZINC000461451929 502119854 /nfs/dbraw/zinc/11/98/54/502119854.db2.gz GOVAZFMJJJWADX-CMKODMSKSA-N 1 3 359.558 3.380 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620580 502128324 /nfs/dbraw/zinc/12/83/24/502128324.db2.gz UHVXGGCCMTVVBD-LPHOPBHVSA-N 1 3 352.494 3.451 20 0 FGADHO C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486532910 502183015 /nfs/dbraw/zinc/18/30/15/502183015.db2.gz GHRAAAUHTLSYRL-FXAWDEMLSA-N 1 3 361.493 3.472 20 0 FGADHO NC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000479185647 502186441 /nfs/dbraw/zinc/18/64/41/502186441.db2.gz KZOLIKWMIQUKFQ-OAQYLSRUSA-N 1 3 369.484 3.170 20 0 FGADHO CC[C@@H](C)CN(CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889244 502207475 /nfs/dbraw/zinc/20/74/75/502207475.db2.gz LMAOIYYIWAQLDX-GOSISDBHSA-N 1 3 359.558 3.444 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472076925 502222608 /nfs/dbraw/zinc/22/26/08/502222608.db2.gz XADOPTMKFBEISQ-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000472150673 502248782 /nfs/dbraw/zinc/24/87/82/502248782.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 1 3 360.542 3.149 20 0 FGADHO CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000472150673 502248787 /nfs/dbraw/zinc/24/87/87/502248787.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 1 3 360.542 3.149 20 0 FGADHO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000465395782 502249656 /nfs/dbraw/zinc/24/96/56/502249656.db2.gz AHZYLBPPUXBDSD-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465458095 502269390 /nfs/dbraw/zinc/26/93/90/502269390.db2.gz YSHDOCIAUDAURH-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000462003384 502269724 /nfs/dbraw/zinc/26/97/24/502269724.db2.gz BDGRGWBDDFUMGY-UHFFFAOYSA-N 1 3 371.569 3.274 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258869 502286853 /nfs/dbraw/zinc/28/68/53/502286853.db2.gz KRUSYBNCKSQDKR-GOSISDBHSA-N 1 3 367.921 3.101 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300886 /nfs/dbraw/zinc/30/08/86/502300886.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300893 /nfs/dbraw/zinc/30/08/93/502300893.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000465553278 502305833 /nfs/dbraw/zinc/30/58/33/502305833.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000465553278 502305836 /nfs/dbraw/zinc/30/58/36/502305836.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000465553281 502305886 /nfs/dbraw/zinc/30/58/86/502305886.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCN1C ZINC000465553281 502305888 /nfs/dbraw/zinc/30/58/88/502305888.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 1 3 372.557 3.343 20 0 FGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000462107556 502309323 /nfs/dbraw/zinc/30/93/23/502309323.db2.gz APGVHUPSFXUOFI-MRXNPFEDSA-N 1 3 352.482 3.469 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000465581311 502315328 /nfs/dbraw/zinc/31/53/28/502315328.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000465581311 502315331 /nfs/dbraw/zinc/31/53/31/502315331.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000475902875 502327248 /nfs/dbraw/zinc/32/72/48/502327248.db2.gz XFPUBIOKFHDENK-DENIHFKCSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479680746 502342324 /nfs/dbraw/zinc/34/23/24/502342324.db2.gz YFTUEAOXZSBUIC-SFHLNBCPSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479680746 502342327 /nfs/dbraw/zinc/34/23/27/502342327.db2.gz YFTUEAOXZSBUIC-SFHLNBCPSA-N 1 3 374.573 3.489 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CC2CC2)C2CCC2)CC1 ZINC000483304647 502345631 /nfs/dbraw/zinc/34/56/31/502345631.db2.gz QPUIOLPSWDTVPL-UHFFFAOYSA-N 1 3 369.553 3.340 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744690 502368052 /nfs/dbraw/zinc/36/80/52/502368052.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744690 502368055 /nfs/dbraw/zinc/36/80/55/502368055.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccc([C@@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686986 506309421 /nfs/dbraw/zinc/30/94/21/506309421.db2.gz JJHJCZQZQIKJPA-UNMCSNQZSA-N 1 3 356.510 3.475 20 0 FGADHO COc1ccc([C@@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686986 506309426 /nfs/dbraw/zinc/30/94/26/506309426.db2.gz JJHJCZQZQIKJPA-UNMCSNQZSA-N 1 3 356.510 3.475 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465767553 502376939 /nfs/dbraw/zinc/37/69/39/502376939.db2.gz CAQCOZPQEZPJCQ-LZLYRXPVSA-N 1 3 366.575 3.161 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000479851624 502397301 /nfs/dbraw/zinc/39/73/01/502397301.db2.gz OOIVXOUJCIEFCJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000479851624 502397304 /nfs/dbraw/zinc/39/73/04/502397304.db2.gz OOIVXOUJCIEFCJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000479851624 502397307 /nfs/dbraw/zinc/39/73/07/502397307.db2.gz OOIVXOUJCIEFCJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005176 502451604 /nfs/dbraw/zinc/45/16/04/502451604.db2.gz UILKRCCCKYBVAU-PKOBYXMFSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005176 502451612 /nfs/dbraw/zinc/45/16/12/502451612.db2.gz UILKRCCCKYBVAU-PKOBYXMFSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459733 /nfs/dbraw/zinc/45/97/33/502459733.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459736 /nfs/dbraw/zinc/45/97/36/502459736.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000476480493 502500888 /nfs/dbraw/zinc/50/08/88/502500888.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000476480493 502500892 /nfs/dbraw/zinc/50/08/92/502500892.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 1 3 360.546 3.071 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000466345192 502543521 /nfs/dbraw/zinc/54/35/21/502543521.db2.gz DRCJVDDEZCBWHV-YUXAGFNASA-N 1 3 372.553 3.328 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN(CC)CC)C12CCOCC2 ZINC000469788516 502545250 /nfs/dbraw/zinc/54/52/50/502545250.db2.gz BMDFBIJLVDKTIZ-LWYYNNOASA-N 1 3 352.563 3.451 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C(=O)OC)c(C)n2C)c1 ZINC000462776382 502566555 /nfs/dbraw/zinc/56/65/55/502566555.db2.gz JODGWBPVYSGBHN-UHFFFAOYSA-N 1 3 357.498 3.252 20 0 FGADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OCC(C)C ZINC000469865418 502575154 /nfs/dbraw/zinc/57/51/54/502575154.db2.gz YRLTUTYOHWFMSO-UHFFFAOYSA-N 1 3 350.503 3.060 20 0 FGADHO CCC[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466234 502578903 /nfs/dbraw/zinc/57/89/03/502578903.db2.gz OZXURJNOBGRDCY-HXUWFJFHSA-N 1 3 357.542 3.411 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NC[C@@H]2COCCO2)c2ccc(F)cc2)CC1 ZINC000462817004 502586112 /nfs/dbraw/zinc/58/61/12/502586112.db2.gz NDSKIKQSFDENIZ-NHCUHLMSSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000480548111 502599426 /nfs/dbraw/zinc/59/94/26/502599426.db2.gz CQSFNTUOBGQNGC-GOSISDBHSA-N 1 3 352.526 3.425 20 0 FGADHO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000476900161 502615605 /nfs/dbraw/zinc/61/56/05/502615605.db2.gz FRYNLBLVVWLQJK-QUCCMNQESA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480606220 502618304 /nfs/dbraw/zinc/61/83/04/502618304.db2.gz CRYBZIBTDXFGTA-RBBKRZOGSA-N 1 3 359.558 3.160 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@H+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627405 /nfs/dbraw/zinc/62/74/05/502627405.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@@H]1C[C@H](CN2CCC[C@H]([N@@H+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627412 /nfs/dbraw/zinc/62/74/12/502627412.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 1 3 352.563 3.403 20 0 FGADHO C[NH+](C)CCCC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488157319 502642317 /nfs/dbraw/zinc/64/23/17/502642317.db2.gz CBHJGEOFWKIYAX-UHFFFAOYSA-N 1 3 360.498 3.084 20 0 FGADHO CCOc1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173137 502646842 /nfs/dbraw/zinc/64/68/42/502646842.db2.gz BTNLNPRLRZNCLH-HZPDHXFCSA-N 1 3 355.482 3.493 20 0 FGADHO CCOc1cc2nccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173137 502646846 /nfs/dbraw/zinc/64/68/46/502646846.db2.gz BTNLNPRLRZNCLH-HZPDHXFCSA-N 1 3 355.482 3.493 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N(CC)CC ZINC000470083510 502653794 /nfs/dbraw/zinc/65/37/94/502653794.db2.gz VYEPUWBBOWIIBD-FXAWDEMLSA-N 1 3 361.530 3.466 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N(CC)CC ZINC000470083510 502653801 /nfs/dbraw/zinc/65/38/01/502653801.db2.gz VYEPUWBBOWIIBD-FXAWDEMLSA-N 1 3 361.530 3.466 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739355 502658890 /nfs/dbraw/zinc/65/88/90/502658890.db2.gz MSVKXSJVVKABFK-TZIWHRDSSA-N 1 3 374.573 3.299 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000480896504 502699799 /nfs/dbraw/zinc/69/97/99/502699799.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000480896504 502699805 /nfs/dbraw/zinc/69/98/05/502699805.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000480896504 502699812 /nfs/dbraw/zinc/69/98/12/502699812.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 1 3 365.537 3.155 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418695 502709859 /nfs/dbraw/zinc/70/98/59/502709859.db2.gz FVMZDDZFEZYXMT-MSOLQXFVSA-N 1 3 353.620 3.447 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1)N(C)C ZINC000481030383 502734562 /nfs/dbraw/zinc/73/45/62/502734562.db2.gz FNLVGOPKCPZYPB-POAQFYNOSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@@H+]1Cc1ccccc1 ZINC000470361888 502749512 /nfs/dbraw/zinc/74/95/12/502749512.db2.gz LZRBGXVCMDITIA-PKOBYXMFSA-N 1 3 363.505 3.320 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNC3)C[N@H+]1Cc1ccccc1 ZINC000470361888 502749515 /nfs/dbraw/zinc/74/95/15/502749515.db2.gz LZRBGXVCMDITIA-PKOBYXMFSA-N 1 3 363.505 3.320 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)c1cccc(OC)c1 ZINC000470366511 502751602 /nfs/dbraw/zinc/75/16/02/502751602.db2.gz XVNCRWPPJTXDAJ-NRFANRHFSA-N 1 3 367.493 3.111 20 0 FGADHO Cc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1OCC[NH+]1CCCC1 ZINC000470374268 502754329 /nfs/dbraw/zinc/75/43/29/502754329.db2.gz KUZVILNERKSJIQ-UHFFFAOYSA-N 1 3 365.477 3.325 20 0 FGADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000463331666 502760609 /nfs/dbraw/zinc/76/06/09/502760609.db2.gz ZUILGXTZBQIZER-QLFBSQMISA-N 1 3 367.921 3.480 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049756 502789861 /nfs/dbraw/zinc/78/98/61/502789861.db2.gz CAPNSXHJTGOWMK-PWRODBHTSA-N 1 3 363.590 3.122 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000513167523 502868080 /nfs/dbraw/zinc/86/80/80/502868080.db2.gz WMSIMJZEWJDMGG-QFIPXVFZSA-N 1 3 367.537 3.431 20 0 FGADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343928 502891049 /nfs/dbraw/zinc/89/10/49/502891049.db2.gz NBXXNHRFWOFVPF-FPOVZHCZSA-N 1 3 359.558 3.445 20 0 FGADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343928 502891050 /nfs/dbraw/zinc/89/10/50/502891050.db2.gz NBXXNHRFWOFVPF-FPOVZHCZSA-N 1 3 359.558 3.445 20 0 FGADHO Cn1nnc2cc(CN[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441780 502904482 /nfs/dbraw/zinc/90/44/82/502904482.db2.gz ZKLKXOFRDFVQHL-NRFANRHFSA-N 1 3 363.509 3.359 20 0 FGADHO Cn1nnc2cc(CN[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441780 502904486 /nfs/dbraw/zinc/90/44/86/502904486.db2.gz ZKLKXOFRDFVQHL-NRFANRHFSA-N 1 3 363.509 3.359 20 0 FGADHO CN(CC(=O)N(C)CC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040131 502919692 /nfs/dbraw/zinc/91/96/92/502919692.db2.gz OZYMTTXHWHJKOQ-UHFFFAOYSA-N 1 3 372.557 3.269 20 0 FGADHO CC(C)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000501151561 502949149 /nfs/dbraw/zinc/94/91/49/502949149.db2.gz UHEHVRZRLDSRQS-HXUWFJFHSA-N 1 3 364.578 3.013 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736595 502975673 /nfs/dbraw/zinc/97/56/73/502975673.db2.gz AAFAHQBPRJPQPC-KRWDZBQOSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000505754984 502979009 /nfs/dbraw/zinc/97/90/09/502979009.db2.gz PQCMODLAHALEMM-YLJYHZDGSA-N 1 3 363.521 3.194 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000505754984 502979013 /nfs/dbraw/zinc/97/90/13/502979013.db2.gz PQCMODLAHALEMM-YLJYHZDGSA-N 1 3 363.521 3.194 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490165 503019041 /nfs/dbraw/zinc/01/90/41/503019041.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490165 503019043 /nfs/dbraw/zinc/01/90/43/503019043.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO Cn1nccc1-c1ccccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000509980640 503022354 /nfs/dbraw/zinc/02/23/54/503022354.db2.gz CXKWKFWGJIETFX-UHFFFAOYSA-N 1 3 364.493 3.317 20 0 FGADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501525094 503029188 /nfs/dbraw/zinc/02/91/88/503029188.db2.gz ZIQWEZPMWGYLGU-IRXDYDNUSA-N 1 3 362.518 3.011 20 0 FGADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000501525094 503029191 /nfs/dbraw/zinc/02/91/91/503029191.db2.gz ZIQWEZPMWGYLGU-IRXDYDNUSA-N 1 3 362.518 3.011 20 0 FGADHO CCC1(CNC(=O)NCCN(C)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021625 503070578 /nfs/dbraw/zinc/07/05/78/503070578.db2.gz BRRYAKTVLSRGIV-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000514055847 503076541 /nfs/dbraw/zinc/07/65/41/503076541.db2.gz RHNLZAHSSMQZPA-ROUUACIJSA-N 1 3 374.573 3.304 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260148 503080305 /nfs/dbraw/zinc/08/03/05/503080305.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260148 503080311 /nfs/dbraw/zinc/08/03/11/503080311.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000506267037 503082029 /nfs/dbraw/zinc/08/20/29/503082029.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 1 3 357.542 3.422 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000506267037 503082033 /nfs/dbraw/zinc/08/20/33/503082033.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 1 3 357.542 3.422 20 0 FGADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000501814030 503085879 /nfs/dbraw/zinc/08/58/79/503085879.db2.gz MOYRVVAKJFMOOS-NRFANRHFSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501849197 503094330 /nfs/dbraw/zinc/09/43/30/503094330.db2.gz FROPIQMCYLLUOC-NHCUHLMSSA-N 1 3 353.595 3.366 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344547 503096026 /nfs/dbraw/zinc/09/60/26/503096026.db2.gz COARARJJRFQMCC-AZUAARDMSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCCC[C@@H]1C ZINC000510510701 503129611 /nfs/dbraw/zinc/12/96/11/503129611.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 1 3 364.578 3.202 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCCC[C@@H]1C ZINC000510510701 503129613 /nfs/dbraw/zinc/12/96/13/503129613.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 1 3 364.578 3.202 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000490216227 503132562 /nfs/dbraw/zinc/13/25/62/503132562.db2.gz KHJVJMFCQDZNTB-AEFFLSMTSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CCN(C)CC1 ZINC000510554390 503143676 /nfs/dbraw/zinc/14/36/76/503143676.db2.gz SPXNKACAEOHAMG-GOSISDBHSA-N 1 3 362.562 3.125 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000510694084 503174446 /nfs/dbraw/zinc/17/44/46/503174446.db2.gz VWRARQUOWZYDCR-QFIPXVFZSA-N 1 3 370.585 3.279 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000514793149 503194425 /nfs/dbraw/zinc/19/44/25/503194425.db2.gz TXOTYVHJPIXQSF-SFHVURJKSA-N 1 3 361.555 3.261 20 0 FGADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490971304 503254207 /nfs/dbraw/zinc/25/42/07/503254207.db2.gz WBCPGKMGLQQUGG-TZIWHRDSSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490971304 503254210 /nfs/dbraw/zinc/25/42/10/503254210.db2.gz WBCPGKMGLQQUGG-TZIWHRDSSA-N 1 3 359.558 3.179 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000515088914 503269277 /nfs/dbraw/zinc/26/92/77/503269277.db2.gz CSWYZCGASXOITN-NHCUHLMSSA-N 1 3 369.509 3.358 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000502784886 503271201 /nfs/dbraw/zinc/27/12/01/503271201.db2.gz PUKKVGDJSUMDNW-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1 ZINC000507456837 503301921 /nfs/dbraw/zinc/30/19/21/503301921.db2.gz ACZNDDMXBRJIBH-HLAWJBBLSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507456837 503301925 /nfs/dbraw/zinc/30/19/25/503301925.db2.gz ACZNDDMXBRJIBH-HLAWJBBLSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507456837 503301929 /nfs/dbraw/zinc/30/19/29/503301929.db2.gz ACZNDDMXBRJIBH-HLAWJBBLSA-N 1 3 351.494 3.133 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@H]3C)cc2)CC1 ZINC000502914006 503306525 /nfs/dbraw/zinc/30/65/25/503306525.db2.gz YIBAWRZTAZMLHQ-LJQANCHMSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503033009 503330478 /nfs/dbraw/zinc/33/04/78/503330478.db2.gz NDNYEAXTGPAVCN-IEBWSBKVSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000511502779 503333534 /nfs/dbraw/zinc/33/35/34/503333534.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502779 503333536 /nfs/dbraw/zinc/33/35/36/503333536.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 1 3 372.557 3.069 20 0 FGADHO CN1CCO[C@H]([C@@H](NC2CCC([NH+](C)C)CC2)c2ccc(Cl)cc2)C1 ZINC000515443454 503338905 /nfs/dbraw/zinc/33/89/05/503338905.db2.gz SWRPCLAVDDVSIM-GUMHCPJTSA-N 1 3 365.949 3.174 20 0 FGADHO CC[C@@H]1C[C@H](C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000507800228 503368608 /nfs/dbraw/zinc/36/86/08/503368608.db2.gz ZCACLNWRZLCOFZ-VURPSTOHSA-N 1 3 352.563 3.403 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390459 503399348 /nfs/dbraw/zinc/39/93/48/503399348.db2.gz LTOJHBJAWWLAGC-XYJFISCASA-N 1 3 364.534 3.128 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390459 503399352 /nfs/dbraw/zinc/39/93/52/503399352.db2.gz LTOJHBJAWWLAGC-XYJFISCASA-N 1 3 364.534 3.128 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511855842 503401487 /nfs/dbraw/zinc/40/14/87/503401487.db2.gz RCYNHHYOIGWRFM-VSKRKVRLSA-N 1 3 369.553 3.244 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000511903449 503411529 /nfs/dbraw/zinc/41/15/29/503411529.db2.gz AVAVAAOYCYRLMT-UXHICEINSA-N 1 3 364.578 3.158 20 0 FGADHO CCc1ccc(CCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000499508009 503421310 /nfs/dbraw/zinc/42/13/10/503421310.db2.gz LOMVCPHXVHBZPM-NRFANRHFSA-N 1 3 359.558 3.056 20 0 FGADHO CCc1ccc(CCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000499508009 503421314 /nfs/dbraw/zinc/42/13/14/503421314.db2.gz LOMVCPHXVHBZPM-NRFANRHFSA-N 1 3 359.558 3.056 20 0 FGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000493883382 503452353 /nfs/dbraw/zinc/45/23/53/503452353.db2.gz OINILWMQNCDHSH-PZJWPPBQSA-N 1 3 359.558 3.303 20 0 FGADHO C[C@@H]1CCCC[C@H]1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000512092535 503455716 /nfs/dbraw/zinc/45/57/16/503455716.db2.gz VTVKGUZRPXWTBY-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165051 503459661 /nfs/dbraw/zinc/45/96/61/503459661.db2.gz SZFWDQPLZDDHOY-GHTZIAJQSA-N 1 3 372.557 3.434 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503691075 503460160 /nfs/dbraw/zinc/46/01/60/503460160.db2.gz VATPLTZJENYRIS-SFHVURJKSA-N 1 3 362.562 3.345 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000493940653 503462114 /nfs/dbraw/zinc/46/21/14/503462114.db2.gz JOWNEJGUQMQDTD-CMKODMSKSA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000493940653 503462117 /nfs/dbraw/zinc/46/21/17/503462117.db2.gz JOWNEJGUQMQDTD-CMKODMSKSA-N 1 3 360.546 3.097 20 0 FGADHO Fc1ccc(/C=C\C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000512138129 503467064 /nfs/dbraw/zinc/46/70/64/503467064.db2.gz XMNYBAQLUCMEOF-IWQZZHSRSA-N 1 3 372.463 3.175 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079377 503483815 /nfs/dbraw/zinc/48/38/15/503483815.db2.gz NPBPQKZLJZVOMN-CBQOVEMMSA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000494079377 503483819 /nfs/dbraw/zinc/48/38/19/503483819.db2.gz NPBPQKZLJZVOMN-CBQOVEMMSA-N 1 3 369.553 3.420 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000500182979 503573402 /nfs/dbraw/zinc/57/34/02/503573402.db2.gz MIIOKXNGMYIKIJ-SBHAEUEKSA-N 1 3 374.573 3.345 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000500182979 503573407 /nfs/dbraw/zinc/57/34/07/503573407.db2.gz MIIOKXNGMYIKIJ-SBHAEUEKSA-N 1 3 374.573 3.345 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000504434303 503574395 /nfs/dbraw/zinc/57/43/95/503574395.db2.gz MRSUFSBLEHNLBO-LJQANCHMSA-N 1 3 362.562 3.267 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508852706 503578472 /nfs/dbraw/zinc/57/84/72/503578472.db2.gz NDJWLKYKWXFTFO-FBBABVLZSA-N 1 3 372.557 3.051 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508852706 503578476 /nfs/dbraw/zinc/57/84/76/503578476.db2.gz NDJWLKYKWXFTFO-FBBABVLZSA-N 1 3 372.557 3.051 20 0 FGADHO O[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000494644644 503581797 /nfs/dbraw/zinc/58/17/97/503581797.db2.gz DBOJAQGPZBBZGC-XABBQPORSA-N 1 3 358.526 3.092 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)N(C)C ZINC000508893996 503592437 /nfs/dbraw/zinc/59/24/37/503592437.db2.gz JWKSCJPYMGOZEB-AZUAARDMSA-N 1 3 360.546 3.114 20 0 FGADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512610834 503594283 /nfs/dbraw/zinc/59/42/83/503594283.db2.gz FJIKJRSQZXWOTG-SLFFLAALSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610834 503594285 /nfs/dbraw/zinc/59/42/85/503594285.db2.gz FJIKJRSQZXWOTG-SLFFLAALSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610834 503594288 /nfs/dbraw/zinc/59/42/88/503594288.db2.gz FJIKJRSQZXWOTG-SLFFLAALSA-N 1 3 357.542 3.182 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000508902046 503595229 /nfs/dbraw/zinc/59/52/29/503595229.db2.gz VVDPNLOJESPJFO-NQIIRXRSSA-N 1 3 374.573 3.441 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000508902050 503595278 /nfs/dbraw/zinc/59/52/78/503595278.db2.gz VVDPNLOJESPJFO-WIYYLYMNSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@H](C)C1 ZINC000508917605 503599757 /nfs/dbraw/zinc/59/97/57/503599757.db2.gz IBRNPKMCUWFOED-RMVXJAJNSA-N 1 3 374.573 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@H](C)C1 ZINC000508917605 503599761 /nfs/dbraw/zinc/59/97/61/503599761.db2.gz IBRNPKMCUWFOED-RMVXJAJNSA-N 1 3 374.573 3.358 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)C ZINC000508923801 503601190 /nfs/dbraw/zinc/60/11/90/503601190.db2.gz OLEOIPZWUMHFKC-MMKMLUHNSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N(C)C ZINC000508923801 503601194 /nfs/dbraw/zinc/60/11/94/503601194.db2.gz OLEOIPZWUMHFKC-MMKMLUHNSA-N 1 3 372.557 3.112 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000516916964 503617645 /nfs/dbraw/zinc/61/76/45/503617645.db2.gz PZWOLSGUJJFMEL-AZUAARDMSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927835 503621845 /nfs/dbraw/zinc/62/18/45/503621845.db2.gz HSNJMWSQDPSYMJ-MTNREXPMSA-N 1 3 369.553 3.064 20 0 FGADHO COCCC[NH+]1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495056429 503654845 /nfs/dbraw/zinc/65/48/45/503654845.db2.gz CTROWQGOTXODQY-UWJYYQICSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691978 /nfs/dbraw/zinc/69/19/78/503691978.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691982 /nfs/dbraw/zinc/69/19/82/503691982.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 1 3 356.514 3.274 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731993 503701478 /nfs/dbraw/zinc/70/14/78/503701478.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731993 503701484 /nfs/dbraw/zinc/70/14/84/503701484.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[C@H](CCCN4C)C3)CC2)c1 ZINC000536731993 503701488 /nfs/dbraw/zinc/70/14/88/503701488.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@H](CCCN4C)C3)CC2)c1 ZINC000536731993 503701495 /nfs/dbraw/zinc/70/14/95/503701495.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 1 3 358.526 3.408 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@@H+]1C ZINC000533181663 503753323 /nfs/dbraw/zinc/75/33/23/503753323.db2.gz NYCTUJOCKVUJCC-PKOBYXMFSA-N 1 3 374.529 3.156 20 0 FGADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@H+]1C ZINC000533181663 503753327 /nfs/dbraw/zinc/75/33/27/503753327.db2.gz NYCTUJOCKVUJCC-PKOBYXMFSA-N 1 3 374.529 3.156 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccnc3ccccc32)CC1 ZINC000536987496 503772818 /nfs/dbraw/zinc/77/28/18/503772818.db2.gz ROFCOYOCGGLRKZ-UHFFFAOYSA-N 1 3 368.525 3.155 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543524180 503802184 /nfs/dbraw/zinc/80/21/84/503802184.db2.gz KFLHNUDTFGXVDJ-FQEVSTJZSA-N 1 3 355.570 3.141 20 0 FGADHO C[C@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CCN(CCO)CC3)cc2)cc1F ZINC000527589522 503844538 /nfs/dbraw/zinc/84/45/38/503844538.db2.gz SVZRBZJERVQJRR-IRXDYDNUSA-N 1 3 371.500 3.183 20 0 FGADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000517924984 503867936 /nfs/dbraw/zinc/86/79/36/503867936.db2.gz CPDQGTFSJWLAAZ-PELUFGRGSA-N 1 3 358.526 3.048 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530214920 503880909 /nfs/dbraw/zinc/88/09/09/503880909.db2.gz YXRMJUGZQBOTTQ-SMYZVBPUSA-N 1 3 353.304 3.194 20 0 FGADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3ccccn3)cc2)C[C@@H]1C ZINC000537351172 503886800 /nfs/dbraw/zinc/88/68/00/503886800.db2.gz FFDBLZXAGSKDLT-OALUTQOASA-N 1 3 353.510 3.381 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ccccn3)cc2)C[C@H]1C ZINC000537351174 503886856 /nfs/dbraw/zinc/88/68/56/503886856.db2.gz FFDBLZXAGSKDLT-RTBURBONSA-N 1 3 353.510 3.381 20 0 FGADHO FC(F)(F)COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243107 503891194 /nfs/dbraw/zinc/89/11/94/503891194.db2.gz WIRXSBVUQROOKW-GOSISDBHSA-N 1 3 372.431 3.218 20 0 FGADHO CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000540788196 503892626 /nfs/dbraw/zinc/89/26/26/503892626.db2.gz AORWZMIONAXEME-RTWAWAEBSA-N 1 3 371.500 3.156 20 0 FGADHO C[N@H+]1CC=C(CNCc2cccc(Br)c2OC(F)F)CC1 ZINC000537414816 503908654 /nfs/dbraw/zinc/90/86/54/503908654.db2.gz USWAORJCLMXPHF-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cccc(Br)c2OC(F)F)CC1 ZINC000537414816 503908657 /nfs/dbraw/zinc/90/86/57/503908657.db2.gz USWAORJCLMXPHF-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1 ZINC000537487866 503931326 /nfs/dbraw/zinc/93/13/26/503931326.db2.gz UDBXAMJZSOMDBD-UZLBHIALSA-N 1 3 373.928 3.280 20 0 FGADHO COc1cc(C)c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999322 503970158 /nfs/dbraw/zinc/97/01/58/503970158.db2.gz KVIDBWGACZKLEH-CALCHBBNSA-N 1 3 361.530 3.028 20 0 FGADHO COc1cc(C)c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999322 503970163 /nfs/dbraw/zinc/97/01/63/503970163.db2.gz KVIDBWGACZKLEH-CALCHBBNSA-N 1 3 361.530 3.028 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402359 503974855 /nfs/dbraw/zinc/97/48/55/503974855.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402359 503974860 /nfs/dbraw/zinc/97/48/60/503974860.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000518457906 503991740 /nfs/dbraw/zinc/99/17/40/503991740.db2.gz WCNHAUQHGJYCSG-CEXWTWQISA-N 1 3 373.541 3.039 20 0 FGADHO NC[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000518499017 504001705 /nfs/dbraw/zinc/00/17/05/504001705.db2.gz BBAXEQBKVLFENL-XVAXZDLZSA-N 1 3 366.509 3.156 20 0 FGADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000541085758 504002213 /nfs/dbraw/zinc/00/22/13/504002213.db2.gz JPHTVXXTAHJAOF-LJQANCHMSA-N 1 3 351.579 3.467 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1)C1CC1 ZINC000518618590 504028930 /nfs/dbraw/zinc/02/89/30/504028930.db2.gz VNQSFQHIMVTNFO-NRFANRHFSA-N 1 3 355.526 3.371 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1)C1CC1 ZINC000518618590 504028936 /nfs/dbraw/zinc/02/89/36/504028936.db2.gz VNQSFQHIMVTNFO-NRFANRHFSA-N 1 3 355.526 3.371 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000519035402 504124211 /nfs/dbraw/zinc/12/42/11/504124211.db2.gz UDYIVHYWWYOYMY-JOCHJYFZSA-N 1 3 372.557 3.168 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000541509909 504155999 /nfs/dbraw/zinc/15/59/99/504155999.db2.gz QLFUSQIZPZQTQD-UYAOXDASSA-N 1 3 360.546 3.161 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000541535945 504167832 /nfs/dbraw/zinc/16/78/32/504167832.db2.gz YOGYWEQLKHGWHQ-OLKYXYMISA-N 1 3 364.533 3.480 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640878 504201762 /nfs/dbraw/zinc/20/17/62/504201762.db2.gz LYFSGLWLHRVOEW-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640878 504201772 /nfs/dbraw/zinc/20/17/72/504201772.db2.gz LYFSGLWLHRVOEW-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737332 504205462 /nfs/dbraw/zinc/20/54/62/504205462.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737332 504205470 /nfs/dbraw/zinc/20/54/70/504205470.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541762408 504246233 /nfs/dbraw/zinc/24/62/33/504246233.db2.gz OEUSGZCQGRIHRI-IBGZPJMESA-N 1 3 361.549 3.496 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)cc(OC)nc2C)CC1 ZINC000541925849 504305120 /nfs/dbraw/zinc/30/51/20/504305120.db2.gz HMQAOWFNPOVBKS-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)cc(OC)nc2C)CC1 ZINC000541925849 504305125 /nfs/dbraw/zinc/30/51/25/504305125.db2.gz HMQAOWFNPOVBKS-UHFFFAOYSA-N 1 3 363.546 3.277 20 0 FGADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000542007042 504332832 /nfs/dbraw/zinc/33/28/32/504332832.db2.gz LFWYLWIPQYRQSG-AWEZNQCLSA-N 1 3 353.869 3.047 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000528715026 504345961 /nfs/dbraw/zinc/34/59/61/504345961.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 1 3 369.553 3.230 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000528715026 504345966 /nfs/dbraw/zinc/34/59/66/504345966.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 1 3 369.553 3.230 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528721492 504348548 /nfs/dbraw/zinc/34/85/48/504348548.db2.gz QDIZEAYUYOGCJQ-UHFFFAOYSA-N 1 3 374.529 3.048 20 0 FGADHO CC1(N2CCOCC2)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000528730172 504352822 /nfs/dbraw/zinc/35/28/22/504352822.db2.gz RPMDYCFTMWDBSM-UHFFFAOYSA-N 1 3 371.569 3.359 20 0 FGADHO CC1(C)[C@H](c2ccc(F)cc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740618 504360032 /nfs/dbraw/zinc/36/00/32/504360032.db2.gz BYSQSCUTEOFSLW-FQEVSTJZSA-N 1 3 373.516 3.137 20 0 FGADHO COc1ccc(-c2ccccc2)cc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000531789682 504424084 /nfs/dbraw/zinc/42/40/84/504424084.db2.gz JBRXQCUOCYEJSJ-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000539073146 504464515 /nfs/dbraw/zinc/46/45/15/504464515.db2.gz IIPGERQFRDTLEU-WGMWDUQUSA-N 1 3 357.542 3.427 20 0 FGADHO CN(CCCOc1ccc(Cl)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000539236730 504507282 /nfs/dbraw/zinc/50/72/82/504507282.db2.gz SGEDMIYZVAWWFO-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CN(CCCOc1ccc(Cl)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000539236730 504507286 /nfs/dbraw/zinc/50/72/86/504507286.db2.gz SGEDMIYZVAWWFO-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714975 504538472 /nfs/dbraw/zinc/53/84/72/504538472.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714975 504538478 /nfs/dbraw/zinc/53/84/78/504538478.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 1 3 357.542 3.420 20 0 FGADHO NC(=O)[C@@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542729802 504590093 /nfs/dbraw/zinc/59/00/93/504590093.db2.gz SGMLAQQCRGVNKO-JOCHJYFZSA-N 1 3 365.521 3.249 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609278 504624756 /nfs/dbraw/zinc/62/47/56/504624756.db2.gz QUAIMQDKMVYMNP-DLBZAZTESA-N 1 3 356.432 3.388 20 0 FGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840346 504631445 /nfs/dbraw/zinc/63/14/45/504631445.db2.gz JLPKXOAOPSGBPC-OAHLLOKOSA-N 1 3 352.404 3.275 20 0 FGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840346 504631450 /nfs/dbraw/zinc/63/14/50/504631450.db2.gz JLPKXOAOPSGBPC-OAHLLOKOSA-N 1 3 352.404 3.275 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000543066632 504710412 /nfs/dbraw/zinc/71/04/12/504710412.db2.gz IUXJXPLAHBQEKW-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000543066632 504710414 /nfs/dbraw/zinc/71/04/14/504710414.db2.gz IUXJXPLAHBQEKW-KBPBESRZSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000539861645 504721272 /nfs/dbraw/zinc/72/12/72/504721272.db2.gz XEBMDPINOVPBAZ-HDICACEKSA-N 1 3 358.526 3.333 20 0 FGADHO O[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)CN1CCCC1 ZINC000546163977 504730945 /nfs/dbraw/zinc/73/09/45/504730945.db2.gz UWECTDPGXUTHOZ-PMACEKPBSA-N 1 3 359.901 3.065 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486019 504746034 /nfs/dbraw/zinc/74/60/34/504746034.db2.gz HHJHZWGTKBFCRJ-FPOVZHCZSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486019 504746037 /nfs/dbraw/zinc/74/60/37/504746037.db2.gz HHJHZWGTKBFCRJ-FPOVZHCZSA-N 1 3 357.542 3.135 20 0 FGADHO COCCC1CC[NH+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000529639127 504750405 /nfs/dbraw/zinc/75/04/05/504750405.db2.gz YFJIMBGXIWIZFZ-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4cccnc43)CC2)CC1 ZINC000565173078 504816119 /nfs/dbraw/zinc/81/61/19/504816119.db2.gz QOWRZTGKCQGEPB-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565302956 504849074 /nfs/dbraw/zinc/84/90/74/504849074.db2.gz ICRPPJGHRZBFLN-HZPDHXFCSA-N 1 3 371.506 3.360 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(CC[NH3+])CC1 ZINC000565428893 504885026 /nfs/dbraw/zinc/88/50/26/504885026.db2.gz XYCRUHLTFGBZBS-DLBZAZTESA-N 1 3 357.542 3.192 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000549755357 504888983 /nfs/dbraw/zinc/88/89/83/504888983.db2.gz VIGLPOIKOBZHEU-INIZCTEOSA-N 1 3 367.484 3.120 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000549755357 504888985 /nfs/dbraw/zinc/88/89/85/504888985.db2.gz VIGLPOIKOBZHEU-INIZCTEOSA-N 1 3 367.484 3.120 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562751896 504933154 /nfs/dbraw/zinc/93/31/54/504933154.db2.gz UFUMNXHGWAFGGZ-DENIHFKCSA-N 1 3 368.525 3.207 20 0 FGADHO CCc1oc2ccccc2c1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000565627666 504941451 /nfs/dbraw/zinc/94/14/51/504941451.db2.gz WCYOPQGBOOPVMJ-UHFFFAOYSA-N 1 3 355.526 3.455 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654876 504950166 /nfs/dbraw/zinc/95/01/66/504950166.db2.gz NRAQBNHLTVMXGZ-UNWVZKJWSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654876 504950168 /nfs/dbraw/zinc/95/01/68/504950168.db2.gz NRAQBNHLTVMXGZ-UNWVZKJWSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654876 504950172 /nfs/dbraw/zinc/95/01/72/504950172.db2.gz NRAQBNHLTVMXGZ-UNWVZKJWSA-N 1 3 374.569 3.399 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC1CC2 ZINC000560094546 504990570 /nfs/dbraw/zinc/99/05/70/504990570.db2.gz QEHAIDHMZZKFLU-SFHVURJKSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC1CC2 ZINC000560094546 504990575 /nfs/dbraw/zinc/99/05/75/504990575.db2.gz QEHAIDHMZZKFLU-SFHVURJKSA-N 1 3 370.541 3.051 20 0 FGADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556884440 505005503 /nfs/dbraw/zinc/00/55/03/505005503.db2.gz KFYCWHBPVPDWLN-LXHROKJGSA-N 1 3 369.553 3.182 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553775234 505006309 /nfs/dbraw/zinc/00/63/09/505006309.db2.gz SHNHFOBQGVAGIA-LMNJBCLMSA-N 1 3 373.516 3.123 20 0 FGADHO C[N@@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@H]21 ZINC000556885984 505007115 /nfs/dbraw/zinc/00/71/15/505007115.db2.gz ROEHMXZOUOCSRN-YESZJQIVSA-N 1 3 360.889 3.395 20 0 FGADHO C[N@H+]1CC[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@H]21 ZINC000556885984 505007119 /nfs/dbraw/zinc/00/71/19/505007119.db2.gz ROEHMXZOUOCSRN-YESZJQIVSA-N 1 3 360.889 3.395 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000562985441 505010680 /nfs/dbraw/zinc/01/06/80/505010680.db2.gz ILKZOQFCHGYHRD-QFIPXVFZSA-N 1 3 368.521 3.100 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026352 /nfs/dbraw/zinc/02/63/52/505026352.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 1 3 350.450 3.124 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026353 /nfs/dbraw/zinc/02/63/53/505026353.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 1 3 350.450 3.124 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000556952793 505028766 /nfs/dbraw/zinc/02/87/66/505028766.db2.gz ONELUKIDKVMFFE-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054945 505035096 /nfs/dbraw/zinc/03/50/96/505035096.db2.gz CMXBVCWNXPUMTF-SUMWQHHRSA-N 1 3 371.447 3.345 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071977 /nfs/dbraw/zinc/07/19/77/505071977.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 1 3 358.551 3.414 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071978 /nfs/dbraw/zinc/07/19/78/505071978.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 1 3 358.551 3.414 20 0 FGADHO COc1ccc(O[C@H](C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000566089325 505076884 /nfs/dbraw/zinc/07/68/84/505076884.db2.gz YUWYCRGURONJLI-BSLALVQMSA-N 1 3 368.477 3.308 20 0 FGADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(Cl)cc1 ZINC000566092202 505077603 /nfs/dbraw/zinc/07/76/03/505077603.db2.gz OXQBEVDQIFMCPK-PWXKEOIMSA-N 1 3 359.905 3.268 20 0 FGADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209649 505112868 /nfs/dbraw/zinc/11/28/68/505112868.db2.gz UUBSEIWAEICJRN-MJGOQNOKSA-N 1 3 373.516 3.028 20 0 FGADHO COC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882538 505119411 /nfs/dbraw/zinc/11/94/11/505119411.db2.gz NIRORGBZFYSEMM-HWELCPFYSA-N 1 3 372.553 3.462 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000563375604 505125708 /nfs/dbraw/zinc/12/57/08/505125708.db2.gz DRJWEKUXZDOGFR-OXJNMPFZSA-N 1 3 373.541 3.216 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000554260543 505127609 /nfs/dbraw/zinc/12/76/09/505127609.db2.gz OXRHDITWKNNYHM-HKUYNNGSSA-N 1 3 360.546 3.242 20 0 FGADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)c1cccnc1 ZINC000563382179 505127709 /nfs/dbraw/zinc/12/77/09/505127709.db2.gz DUFDNLPCWLEKRQ-GOSISDBHSA-N 1 3 372.557 3.187 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(C)C)[C@H]3C(C)C)CC2)CC1 ZINC000563409793 505135182 /nfs/dbraw/zinc/13/51/82/505135182.db2.gz SAAXCDBRBMHOFM-NHCUHLMSSA-N 1 3 363.590 3.322 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(C)C)[C@@H]3C(C)C)CC2)CC1 ZINC000563409794 505135328 /nfs/dbraw/zinc/13/53/28/505135328.db2.gz SAAXCDBRBMHOFM-RTWAWAEBSA-N 1 3 363.590 3.322 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCOC2(C)C)cc1OC ZINC000551007815 505142483 /nfs/dbraw/zinc/14/24/83/505142483.db2.gz RHPYGNZWHOLMAL-IBGZPJMESA-N 1 3 350.503 3.073 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000563499237 505157319 /nfs/dbraw/zinc/15/73/19/505157319.db2.gz RSSSZEYLJVBEHP-UHFFFAOYSA-N 1 3 358.530 3.212 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000563499111 505157420 /nfs/dbraw/zinc/15/74/20/505157420.db2.gz MVVPRJQVHWTHLP-CALCHBBNSA-N 1 3 358.530 3.212 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000563499111 505157425 /nfs/dbraw/zinc/15/74/25/505157425.db2.gz MVVPRJQVHWTHLP-CALCHBBNSA-N 1 3 358.530 3.212 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449227 505176809 /nfs/dbraw/zinc/17/68/09/505176809.db2.gz FHVSBCBUGUPBNO-PMACEKPBSA-N 1 3 372.488 3.031 20 0 FGADHO C[C@@H](OC[C@@H](O)C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556287 505204810 /nfs/dbraw/zinc/20/48/10/505204810.db2.gz JXBZIQDJDRVUQV-FFZSDIPESA-N 1 3 366.933 3.385 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751426 505228766 /nfs/dbraw/zinc/22/87/66/505228766.db2.gz AQZQKPDLDZXFCB-HXUWFJFHSA-N 1 3 356.489 3.234 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000561211553 505282387 /nfs/dbraw/zinc/28/23/87/505282387.db2.gz GLSQOBDDSGNDSF-PMACEKPBSA-N 1 3 372.557 3.229 20 0 FGADHO Cc1ccc(C[C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943192 505283601 /nfs/dbraw/zinc/28/36/01/505283601.db2.gz ASPPGMLSTKOVSS-OAQYLSRUSA-N 1 3 371.569 3.239 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000554924699 505300959 /nfs/dbraw/zinc/30/09/59/505300959.db2.gz FGCAXXHYRAAHRR-QGZVFWFLSA-N 1 3 355.530 3.486 20 0 FGADHO Cc1nn(-c2ccccn2)c(C)c1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000554924699 505300962 /nfs/dbraw/zinc/30/09/62/505300962.db2.gz FGCAXXHYRAAHRR-QGZVFWFLSA-N 1 3 355.530 3.486 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000567058945 505351619 /nfs/dbraw/zinc/35/16/19/505351619.db2.gz JNNRMMUCIDMYKU-QFIPXVFZSA-N 1 3 365.521 3.358 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CCN1Cc1ccccc1 ZINC000561591152 505385181 /nfs/dbraw/zinc/38/51/81/505385181.db2.gz PWFDUTMMUKRAFM-RXVVDRJESA-N 1 3 372.557 3.261 20 0 FGADHO CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065486 505387793 /nfs/dbraw/zinc/38/77/93/505387793.db2.gz BKUQJLUPQXRJPI-YSFYHYPLSA-N 1 3 358.526 3.072 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387922 /nfs/dbraw/zinc/38/79/22/505387922.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 1 3 356.558 3.109 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387923 /nfs/dbraw/zinc/38/79/23/505387923.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 1 3 356.558 3.109 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000561727355 505419804 /nfs/dbraw/zinc/41/98/04/505419804.db2.gz UAJZVTFPBIPKFU-RCJHGTSTSA-N 1 3 363.571 3.389 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000561727355 505419809 /nfs/dbraw/zinc/41/98/09/505419809.db2.gz UAJZVTFPBIPKFU-RCJHGTSTSA-N 1 3 363.571 3.389 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000555417650 505428003 /nfs/dbraw/zinc/42/80/03/505428003.db2.gz FXEAPPGVDHCZOO-GCJKJVERSA-N 1 3 358.574 3.225 20 0 FGADHO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000555417650 505428005 /nfs/dbraw/zinc/42/80/05/505428005.db2.gz FXEAPPGVDHCZOO-GCJKJVERSA-N 1 3 358.574 3.225 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000564497849 505434616 /nfs/dbraw/zinc/43/46/16/505434616.db2.gz MXCGINHGVIBXCY-IRLDBZIGSA-N 1 3 370.585 3.277 20 0 FGADHO CCN(CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC1 ZINC000558787538 505492455 /nfs/dbraw/zinc/49/24/55/505492455.db2.gz PZKDPYFFSOBSQP-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000564802288 505524160 /nfs/dbraw/zinc/52/41/60/505524160.db2.gz ZJMVWSORWAMVKH-GCJKJVERSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000564802288 505524165 /nfs/dbraw/zinc/52/41/65/505524165.db2.gz ZJMVWSORWAMVKH-GCJKJVERSA-N 1 3 369.553 3.377 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000567709844 505545441 /nfs/dbraw/zinc/54/54/41/505545441.db2.gz ATGLGYFVBPPGIK-CYBMUJFWSA-N 1 3 355.404 3.274 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(C)C)CC(C)C)CC2)CC1 ZINC000582794418 506423229 /nfs/dbraw/zinc/42/32/29/506423229.db2.gz KARGSEIECXKKHT-UHFFFAOYSA-N 1 3 351.579 3.323 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000589221064 506490125 /nfs/dbraw/zinc/49/01/25/506490125.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 1 3 374.573 3.067 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000589221064 506490130 /nfs/dbraw/zinc/49/01/30/506490130.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 1 3 374.573 3.067 20 0 FGADHO CCC(CC)(CNC(=O)N[C@@H]1CCCN(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593416 506569092 /nfs/dbraw/zinc/56/90/92/506569092.db2.gz GYSMHZCPCJAWJU-IEBWSBKVSA-N 1 3 360.546 3.289 20 0 FGADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000603610636 506577313 /nfs/dbraw/zinc/57/73/13/506577313.db2.gz XINRGAGTPFCVAE-HKUYNNGSSA-N 1 3 360.546 3.288 20 0 FGADHO Cc1ncncc1[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000583332748 506721652 /nfs/dbraw/zinc/72/16/52/506721652.db2.gz SEHFPEFYCPLMAA-IBGZPJMESA-N 1 3 367.541 3.034 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604176083 506737795 /nfs/dbraw/zinc/73/77/95/506737795.db2.gz VMVXWQKIZSPRNN-NJDAHSKKSA-N 1 3 370.541 3.140 20 0 FGADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604176083 506737798 /nfs/dbraw/zinc/73/77/98/506737798.db2.gz VMVXWQKIZSPRNN-NJDAHSKKSA-N 1 3 370.541 3.140 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000604179043 506739389 /nfs/dbraw/zinc/73/93/89/506739389.db2.gz ANHODMGKKUNDSL-VQTJNVASSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000604179043 506739391 /nfs/dbraw/zinc/73/93/91/506739391.db2.gz ANHODMGKKUNDSL-VQTJNVASSA-N 1 3 374.573 3.189 20 0 FGADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000590125598 506744005 /nfs/dbraw/zinc/74/40/05/506744005.db2.gz BVMMOUXDHFESAH-JOCHJYFZSA-N 1 3 368.521 3.367 20 0 FGADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590125927 506744275 /nfs/dbraw/zinc/74/42/75/506744275.db2.gz VQYPVHRPBBVAFL-HNNXBMFYSA-N 1 3 361.313 3.007 20 0 FGADHO CC(C)N1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000590152255 506751878 /nfs/dbraw/zinc/75/18/78/506751878.db2.gz OLTISHBTFUYIRZ-UHFFFAOYSA-N 1 3 364.578 3.301 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604206807 506752339 /nfs/dbraw/zinc/75/23/39/506752339.db2.gz VWDYSJKFKDSUJU-OAQYLSRUSA-N 1 3 372.557 3.386 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000583487965 506807278 /nfs/dbraw/zinc/80/72/78/506807278.db2.gz AZENHYKDFWSAQU-UHFFFAOYSA-N 1 3 356.514 3.251 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604656141 506903406 /nfs/dbraw/zinc/90/34/06/506903406.db2.gz CYIFTPMVNDXWJB-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604656141 506903409 /nfs/dbraw/zinc/90/34/09/506903409.db2.gz CYIFTPMVNDXWJB-TZIWHRDSSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594103985 506941282 /nfs/dbraw/zinc/94/12/82/506941282.db2.gz QHEHDHLGNCTNHF-YRPNKDGESA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594103985 506941294 /nfs/dbraw/zinc/94/12/94/506941294.db2.gz QHEHDHLGNCTNHF-YRPNKDGESA-N 1 3 366.594 3.307 20 0 FGADHO Cc1ccc2c(c1)sc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2Cl ZINC000591102006 507115729 /nfs/dbraw/zinc/11/57/29/507115729.db2.gz IQKUIAHLAKCBHE-UHFFFAOYSA-N 1 3 367.946 3.429 20 0 FGADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1I ZINC000594509452 507160999 /nfs/dbraw/zinc/16/09/99/507160999.db2.gz INKBWZDGLNMQHE-UPJWGTAASA-N 1 3 358.267 3.282 20 0 FGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000584136825 507171506 /nfs/dbraw/zinc/17/15/06/507171506.db2.gz RJTOIDNDKJOQJF-DLBZAZTESA-N 1 3 357.498 3.312 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000584175355 507193962 /nfs/dbraw/zinc/19/39/62/507193962.db2.gz VDRZMONXJNHWLA-UHFFFAOYSA-N 1 3 365.521 3.151 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000591541718 507282382 /nfs/dbraw/zinc/28/23/82/507282382.db2.gz GKIUPWXPNCNYIR-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000591541718 507282388 /nfs/dbraw/zinc/28/23/88/507282388.db2.gz GKIUPWXPNCNYIR-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601214408 507297820 /nfs/dbraw/zinc/29/78/20/507297820.db2.gz DFJFVJJBWHFGHZ-PMACEKPBSA-N 1 3 360.546 3.024 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N2CCCC2)cc1 ZINC000601290609 507324854 /nfs/dbraw/zinc/32/48/54/507324854.db2.gz UESRKGUQGQTJBV-RTWAWAEBSA-N 1 3 372.557 3.304 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024500 507359243 /nfs/dbraw/zinc/35/92/43/507359243.db2.gz GSFJYYXXUBXYRX-DJSGYFEHSA-N 1 3 370.278 3.351 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024500 507359247 /nfs/dbraw/zinc/35/92/47/507359247.db2.gz GSFJYYXXUBXYRX-DJSGYFEHSA-N 1 3 370.278 3.351 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595067859 507375811 /nfs/dbraw/zinc/37/58/11/507375811.db2.gz QGIQUSSIMJWXNG-WGDIFIGCSA-N 1 3 371.550 3.382 20 0 FGADHO COC(=O)c1csc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000595069972 507378619 /nfs/dbraw/zinc/37/86/19/507378619.db2.gz UGJVGTRWDNTUHH-HNNXBMFYSA-N 1 3 373.522 3.493 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@H]2CNc3ccnn3C2)C1 ZINC000595139196 507406206 /nfs/dbraw/zinc/40/62/06/507406206.db2.gz GSZGPVXERSRNKA-OTWHNJEPSA-N 1 3 367.541 3.193 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@H]2CNc3ccnn3C2)C1 ZINC000595139196 507406212 /nfs/dbraw/zinc/40/62/12/507406212.db2.gz GSZGPVXERSRNKA-OTWHNJEPSA-N 1 3 367.541 3.193 20 0 FGADHO C[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606690749 507482789 /nfs/dbraw/zinc/48/27/89/507482789.db2.gz LMLQZOOZRKTTTM-GHTZIAJQSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1nc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(C)o1 ZINC000584815619 507519122 /nfs/dbraw/zinc/51/91/22/507519122.db2.gz JKFBBEHPZQQPDY-LJQANCHMSA-N 1 3 355.482 3.412 20 0 FGADHO c1cc2c(cc1-c1nnn[n-]1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518085 608511604 /nfs/dbraw/zinc/51/16/04/608511604.db2.gz BGVICHARBJZEKT-FQEVSTJZSA-N 1 3 368.529 3.490 20 0 FGADHO c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000826518085 608511608 /nfs/dbraw/zinc/51/16/08/608511608.db2.gz BGVICHARBJZEKT-FQEVSTJZSA-N 1 3 368.529 3.490 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585489 609133159 /nfs/dbraw/zinc/13/31/59/609133159.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824585489 609133161 /nfs/dbraw/zinc/13/31/61/609133161.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585489 609133163 /nfs/dbraw/zinc/13/31/63/609133163.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585489 609133165 /nfs/dbraw/zinc/13/31/65/609133165.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 1 3 360.481 3.311 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948691 609133302 /nfs/dbraw/zinc/13/33/02/609133302.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948691 609133304 /nfs/dbraw/zinc/13/33/04/609133304.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948691 609133306 /nfs/dbraw/zinc/13/33/06/609133306.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948691 609133308 /nfs/dbraw/zinc/13/33/08/609133308.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539626 609147049 /nfs/dbraw/zinc/14/70/49/609147049.db2.gz OUPZBKVIMGEULX-OOHWJJMZSA-N 1 3 372.492 3.454 20 0 FGADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539626 609147051 /nfs/dbraw/zinc/14/70/51/609147051.db2.gz OUPZBKVIMGEULX-OOHWJJMZSA-N 1 3 372.492 3.454 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCC1 ZINC000078500574 700280621 /nfs/dbraw/zinc/28/06/21/700280621.db2.gz DPBIYLLUXJUUAX-INIZCTEOSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248436316 713650097 /nfs/dbraw/zinc/65/00/97/713650097.db2.gz GEHJFWCBNPPORL-BBWFWOEESA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248436316 713650100 /nfs/dbraw/zinc/65/01/00/713650100.db2.gz GEHJFWCBNPPORL-BBWFWOEESA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248436316 713650103 /nfs/dbraw/zinc/65/01/03/713650103.db2.gz GEHJFWCBNPPORL-BBWFWOEESA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H]1CN(CCCOc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374327936 713914002 /nfs/dbraw/zinc/91/40/02/713914002.db2.gz YBYUBLRDKLTKQQ-PXNSSMCTSA-N 1 3 365.949 3.067 20 0 FGADHO COc1c(Br)cccc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432344879 714022934 /nfs/dbraw/zinc/02/29/34/714022934.db2.gz CFHVVTQFEXKKHV-AWEZNQCLSA-N 1 3 371.319 3.048 20 0 FGADHO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506039 714663414 /nfs/dbraw/zinc/66/34/14/714663414.db2.gz YREHLVQBVKPEAF-AWEZNQCLSA-N 1 3 366.575 3.111 20 0 FGADHO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506039 714663417 /nfs/dbraw/zinc/66/34/17/714663417.db2.gz YREHLVQBVKPEAF-AWEZNQCLSA-N 1 3 366.575 3.111 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000623386818 715323978 /nfs/dbraw/zinc/32/39/78/715323978.db2.gz FHIYUYILOKRZLB-UHFFFAOYSA-N 1 3 361.477 3.415 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509574 715351254 /nfs/dbraw/zinc/35/12/54/715351254.db2.gz JEJFFZAHRFVRKL-JKSUJKDBSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509574 715351259 /nfs/dbraw/zinc/35/12/59/715351259.db2.gz JEJFFZAHRFVRKL-JKSUJKDBSA-N 1 3 366.347 3.490 20 0 FGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000624122864 715477819 /nfs/dbraw/zinc/47/78/19/715477819.db2.gz AEOALGZYLCYTKN-WBVHZDCISA-N 1 3 350.503 3.485 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132018 724394180 /nfs/dbraw/zinc/39/41/80/724394180.db2.gz XCTANHWIWKUYQI-MSOLQXFVSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132018 724394181 /nfs/dbraw/zinc/39/41/81/724394181.db2.gz XCTANHWIWKUYQI-MSOLQXFVSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000629416698 716284369 /nfs/dbraw/zinc/28/43/69/716284369.db2.gz UOHFECJFEPPINY-RHSMWYFYSA-N 1 3 366.347 3.144 20 0 FGADHO C[C@@H]1CC[C@@H](NC2CCN(Cc3ccccc3Br)CC2)C[NH2+]1 ZINC000629416698 716284373 /nfs/dbraw/zinc/28/43/73/716284373.db2.gz UOHFECJFEPPINY-RHSMWYFYSA-N 1 3 366.347 3.144 20 0 FGADHO Clc1ccc(N2CCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000629523107 716302745 /nfs/dbraw/zinc/30/27/45/716302745.db2.gz KFUXUBZFNBYFAX-IYWMVGAKSA-N 1 3 363.933 3.056 20 0 FGADHO O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)CN1CCCC1 ZINC000629566824 716310076 /nfs/dbraw/zinc/31/00/76/716310076.db2.gz IMSILDOGUUIDTP-LBPRGKRZSA-N 1 3 367.704 3.072 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619338 718134424 /nfs/dbraw/zinc/13/44/24/718134424.db2.gz CZPOCBFPPYSQJZ-XMTFNYHQSA-N 1 3 356.432 3.190 20 0 FGADHO C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245680 /nfs/dbraw/zinc/24/56/80/718245680.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCCN(CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245682 /nfs/dbraw/zinc/24/56/82/718245682.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 1 3 352.563 3.406 20 0 FGADHO CN1C[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)[C@H](c2ccccc2)C1 ZINC000647248818 718342892 /nfs/dbraw/zinc/34/28/92/718342892.db2.gz ILFHEFBNNLJVLA-APWZRJJASA-N 1 3 354.885 3.423 20 0 FGADHO CC[C@@H]1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497697 718364087 /nfs/dbraw/zinc/36/40/87/718364087.db2.gz RQFFLCWODHMLSM-GDBMZVCRSA-N 1 3 352.404 3.450 20 0 FGADHO Cc1nn2c(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544025 718366457 /nfs/dbraw/zinc/36/64/57/718366457.db2.gz VPGSLNZGUCOHGR-CVEARBPZSA-N 1 3 361.559 3.434 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976248 718391228 /nfs/dbraw/zinc/39/12/28/718391228.db2.gz MBKBMYPIQZJHOE-SOLBZPMBSA-N 1 3 363.933 3.056 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707379 718717793 /nfs/dbraw/zinc/71/77/93/718717793.db2.gz DVZLFYOCROEYFY-CKEIUWERSA-N 1 3 358.404 3.145 20 0 FGADHO c1ccc([C@@H]2C[NH2+]C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001164623039 719047912 /nfs/dbraw/zinc/04/79/12/719047912.db2.gz LMRHSSLVHSEYHG-JTHBVZDNSA-N 1 3 362.521 3.261 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623345 719104586 /nfs/dbraw/zinc/10/45/86/719104586.db2.gz CNFQIXFCXCZVFK-LEWJYISDSA-N 1 3 350.510 3.244 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623345 719104591 /nfs/dbraw/zinc/10/45/91/719104591.db2.gz CNFQIXFCXCZVFK-LEWJYISDSA-N 1 3 350.510 3.244 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297893 720411898 /nfs/dbraw/zinc/41/18/98/720411898.db2.gz SSOYQDALPAZTEF-WBVHZDCISA-N 1 3 363.933 3.229 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357534 720758960 /nfs/dbraw/zinc/75/89/60/720758960.db2.gz OZOMCEFURXGWGQ-IAGOWNOFSA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357534 720758964 /nfs/dbraw/zinc/75/89/64/720758964.db2.gz OZOMCEFURXGWGQ-IAGOWNOFSA-N 1 3 366.937 3.115 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644669 721325312 /nfs/dbraw/zinc/32/53/12/721325312.db2.gz GATPDDQMSWQAAN-GVDBMIGSSA-N 1 3 364.559 3.090 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670136239 721519297 /nfs/dbraw/zinc/51/92/97/721519297.db2.gz SHTMOXTVEJRQJJ-MSOLQXFVSA-N 1 3 366.937 3.116 20 0 FGADHO Cc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000673629938 721668565 /nfs/dbraw/zinc/66/85/65/721668565.db2.gz XZQQRZMWFBVYJA-QGZVFWFLSA-N 1 3 367.331 3.491 20 0 FGADHO Cc1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994912 722205896 /nfs/dbraw/zinc/20/58/96/722205896.db2.gz JSFSWGOEWFYSJL-OAQYLSRUSA-N 1 3 354.473 3.233 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2cccs2)s1 ZINC000685454777 722385601 /nfs/dbraw/zinc/38/56/01/722385601.db2.gz MZARPYUGHQJLKH-UHFFFAOYSA-N 1 3 364.584 3.329 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000715563867 722415891 /nfs/dbraw/zinc/41/58/91/722415891.db2.gz YIOBOJVMGIKLFX-QZTJIDSGSA-N 1 3 353.551 3.486 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024480 /nfs/dbraw/zinc/02/44/80/723024480.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 1 3 352.881 3.461 20 0 FGADHO O[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024481 /nfs/dbraw/zinc/02/44/81/723024481.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 1 3 352.881 3.461 20 0 FGADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024528 /nfs/dbraw/zinc/02/45/28/723024528.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 1 3 352.881 3.461 20 0 FGADHO O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024529 /nfs/dbraw/zinc/02/45/29/723024529.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 1 3 352.881 3.461 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274777 723629623 /nfs/dbraw/zinc/62/96/23/723629623.db2.gz AECARAWQMGHBPP-LXPRWKDFSA-N 1 3 353.551 3.391 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1CN1CCCCC1 ZINC000775416267 723989379 /nfs/dbraw/zinc/98/93/79/723989379.db2.gz XODVRXOLGIZVIG-YPBQGGFRSA-N 1 3 366.571 3.489 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810486001 725310359 /nfs/dbraw/zinc/31/03/59/725310359.db2.gz HAVXWFCDUWOQGQ-HXUWFJFHSA-N 1 3 355.542 3.073 20 0 FGADHO CC(C)C[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000811506048 725370500 /nfs/dbraw/zinc/37/05/00/725370500.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 1 3 353.551 3.483 20 0 FGADHO CC(C)C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000811506048 725370502 /nfs/dbraw/zinc/37/05/02/725370502.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 1 3 353.551 3.483 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505151 725370509 /nfs/dbraw/zinc/37/05/09/725370509.db2.gz GVLJOQLCTKBMLR-VQIMIIECSA-N 1 3 369.912 3.271 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505151 725370511 /nfs/dbraw/zinc/37/05/11/725370511.db2.gz GVLJOQLCTKBMLR-VQIMIIECSA-N 1 3 369.912 3.271 20 0 FGADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1Cl ZINC000818984202 727334260 /nfs/dbraw/zinc/33/42/60/727334260.db2.gz AIMCYEFWWKNDBE-SFHVURJKSA-N 1 3 366.864 3.243 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819134550 727350913 /nfs/dbraw/zinc/35/09/13/727350913.db2.gz IDOGWJOAVVJWIO-JJRVBVJISA-N 1 3 373.310 3.258 20 0 FGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596822 729291301 /nfs/dbraw/zinc/29/13/01/729291301.db2.gz WEUBEHDAUSLGQO-MBOZVWFJSA-N 1 3 351.535 3.098 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383042 729334937 /nfs/dbraw/zinc/33/49/37/729334937.db2.gz JFBXWUNDEMNZHH-FGTMMUONSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383042 729334939 /nfs/dbraw/zinc/33/49/39/729334939.db2.gz JFBXWUNDEMNZHH-FGTMMUONSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383042 729334940 /nfs/dbraw/zinc/33/49/40/729334940.db2.gz JFBXWUNDEMNZHH-FGTMMUONSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825342506 729379605 /nfs/dbraw/zinc/37/96/05/729379605.db2.gz DGCXEORNDXQBQB-INIZCTEOSA-N 1 3 355.320 3.335 20 0 FGADHO CC(C)n1ncc2cc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125726 730588985 /nfs/dbraw/zinc/58/89/85/730588985.db2.gz GIHVWAFHIOGIBK-HUUCEWRRSA-N 1 3 361.921 3.487 20 0 FGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491475 732220194 /nfs/dbraw/zinc/22/01/94/732220194.db2.gz IRQHZLOKVRSARK-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)CN(CC(=O)Nc1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000879704283 737035157 /nfs/dbraw/zinc/03/51/57/737035157.db2.gz NJPJNMVYKCFUPS-UHFFFAOYSA-N 1 3 353.457 3.203 20 0 FGADHO COC(=O)c1cccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1 ZINC000903499783 743856296 /nfs/dbraw/zinc/85/62/96/743856296.db2.gz NSJFMTZPWZRESW-CZUORRHYSA-N 1 3 359.495 3.013 20 0 FGADHO C[C@@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1CC[NH3+] ZINC000903496697 743856543 /nfs/dbraw/zinc/85/65/43/743856543.db2.gz ZBBAQAITTFCACZ-DGCLKSJQSA-N 1 3 354.376 3.172 20 0 FGADHO Cc1cccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765133 743881673 /nfs/dbraw/zinc/88/16/73/743881673.db2.gz YPVWKDFUVIROFO-UAGQMJEPSA-N 1 3 367.331 3.476 20 0 FGADHO Cc1c(C[C@H](CN)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cnn1C ZINC000903923563 743897728 /nfs/dbraw/zinc/89/77/28/743897728.db2.gz XEYIYKWHKVTNBY-MRXNPFEDSA-N 1 3 360.933 3.211 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387782 758910696 /nfs/dbraw/zinc/91/06/96/758910696.db2.gz AZHWGYVNEZNSNR-VDERGJSUSA-N 1 3 362.461 3.336 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387782 758910699 /nfs/dbraw/zinc/91/06/99/758910699.db2.gz AZHWGYVNEZNSNR-VDERGJSUSA-N 1 3 362.461 3.336 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389120 759109164 /nfs/dbraw/zinc/10/91/64/759109164.db2.gz TULQCVQQAPDDND-FOZNTRSISA-N 1 3 373.324 3.245 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391396 759110050 /nfs/dbraw/zinc/11/00/50/759110050.db2.gz FEMXULDOYJNZIR-PILAGYSTSA-N 1 3 373.324 3.388 20 0 FGADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000923455379 759121646 /nfs/dbraw/zinc/12/16/46/759121646.db2.gz TXXPJGGEVMUJKU-KRWDZBQOSA-N 1 3 361.873 3.325 20 0 FGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1csc2ccccc21 ZINC000925017925 759431630 /nfs/dbraw/zinc/43/16/30/759431630.db2.gz AHKCKMOPUMJNHM-OAHLLOKOSA-N 1 3 359.539 3.495 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440379 759488791 /nfs/dbraw/zinc/48/87/91/759488791.db2.gz RDYABJFKOZIJSM-ZNMIVQPWSA-N 1 3 370.335 3.384 20 0 FGADHO C[C@@H]([NH3+])[C@@H](NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000925660766 759519894 /nfs/dbraw/zinc/51/98/94/759519894.db2.gz ANKXQHUYXBNWAK-HELAGCTPSA-N 1 3 355.448 3.470 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc2ccc(Br)cc2c1 ZINC000925732473 759527186 /nfs/dbraw/zinc/52/71/86/759527186.db2.gz BRPBPWKAVVYAII-JBBXEZCESA-N 1 3 363.299 3.444 20 0 FGADHO CC(C)[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856371 759560662 /nfs/dbraw/zinc/56/06/62/759560662.db2.gz NNROULCSXNGHAO-WMLDXEAASA-N 1 3 368.880 3.451 20 0 FGADHO C[NH+](C)[C@@H](CNC(=O)c1ccc(CN2CCCCC2)o1)c1ccsc1 ZINC000929999850 760508607 /nfs/dbraw/zinc/50/86/07/760508607.db2.gz NSPCRGOFLZDRBZ-KRWDZBQOSA-N 1 3 361.511 3.360 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccsc1 ZINC000929999850 760508610 /nfs/dbraw/zinc/50/86/10/760508610.db2.gz NSPCRGOFLZDRBZ-KRWDZBQOSA-N 1 3 361.511 3.360 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828432 764970315 /nfs/dbraw/zinc/97/03/15/764970315.db2.gz XZLLSCCOFLQUMF-BPLDGKMQSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995828432 764970320 /nfs/dbraw/zinc/97/03/20/764970320.db2.gz XZLLSCCOFLQUMF-BPLDGKMQSA-N 1 3 369.962 3.068 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)CC[N@@H+]1C ZINC000995828604 764970361 /nfs/dbraw/zinc/97/03/61/764970361.db2.gz ZPQIBRIKJBGHLA-KYJSFNMBSA-N 1 3 363.933 3.007 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995828604 764970364 /nfs/dbraw/zinc/97/03/64/764970364.db2.gz ZPQIBRIKJBGHLA-KYJSFNMBSA-N 1 3 363.933 3.007 20 0 FGADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001045043557 766504360 /nfs/dbraw/zinc/50/43/60/766504360.db2.gz HTFBWHQBGKAJBU-BPQIPLTHSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001045043557 766504369 /nfs/dbraw/zinc/50/43/69/766504369.db2.gz HTFBWHQBGKAJBU-BPQIPLTHSA-N 1 3 363.933 3.069 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1 ZINC000568282233 505658621 /nfs/dbraw/zinc/65/86/21/505658621.db2.gz RYNGBLOYOJUYDY-OAQYLSRUSA-N 1 3 366.509 3.187 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078967 505660132 /nfs/dbraw/zinc/66/01/32/505660132.db2.gz SOGNGTFTLRCHMQ-QGZVFWFLSA-N 1 3 362.543 3.081 20 0 FGADHO OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000573987893 505667058 /nfs/dbraw/zinc/66/70/58/505667058.db2.gz JKAJDYUSQSXZFG-NJDAHSKKSA-N 1 3 362.583 3.382 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000577115387 505667320 /nfs/dbraw/zinc/66/73/20/505667320.db2.gz PXNUADLYIXFGPH-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000577115387 505667323 /nfs/dbraw/zinc/66/73/23/505667323.db2.gz PXNUADLYIXFGPH-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366732 493805880 /nfs/dbraw/zinc/80/58/80/493805880.db2.gz OVSLDMGQBGMQHB-JOCHJYFZSA-N 1 3 363.505 3.287 20 0 FGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761504 493986514 /nfs/dbraw/zinc/98/65/14/493986514.db2.gz OUKIJFAQAIDELR-QGZVFWFLSA-N 1 3 364.559 3.057 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000085400889 494120475 /nfs/dbraw/zinc/12/04/75/494120475.db2.gz YNHUBPCPPRHFJE-TYPHKJRUSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000085400889 494120478 /nfs/dbraw/zinc/12/04/78/494120478.db2.gz YNHUBPCPPRHFJE-TYPHKJRUSA-N 1 3 372.557 3.114 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000085404743 494122008 /nfs/dbraw/zinc/12/20/08/494122008.db2.gz JEVRMHAFOLPCCE-AOIWGVFYSA-N 1 3 360.546 3.097 20 0 FGADHO CCC1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000053379290 494123956 /nfs/dbraw/zinc/12/39/56/494123956.db2.gz UGFUTDVNOLZOPM-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000571313485 505704580 /nfs/dbraw/zinc/70/45/80/505704580.db2.gz CGHSYTPEXQYWJU-HXUWFJFHSA-N 1 3 352.482 3.240 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000065469729 494201639 /nfs/dbraw/zinc/20/16/39/494201639.db2.gz DUTDSLFGRPKKTN-CTNGQTDRSA-N 1 3 374.573 3.409 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000065469729 494201644 /nfs/dbraw/zinc/20/16/44/494201644.db2.gz DUTDSLFGRPKKTN-CTNGQTDRSA-N 1 3 374.573 3.409 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000088250401 494220768 /nfs/dbraw/zinc/22/07/68/494220768.db2.gz OWJYKLLRUIDATO-HXUWFJFHSA-N 1 3 369.509 3.082 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000088250401 494220771 /nfs/dbraw/zinc/22/07/71/494220771.db2.gz OWJYKLLRUIDATO-HXUWFJFHSA-N 1 3 369.509 3.082 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000066190505 494287065 /nfs/dbraw/zinc/28/70/65/494287065.db2.gz XTUYXRUWMHYBGE-HXUWFJFHSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000574175538 505712224 /nfs/dbraw/zinc/71/22/24/505712224.db2.gz DFGWHONSTFDFFI-FPOVZHCZSA-N 1 3 354.498 3.103 20 0 FGADHO c1ncn(Cc2ccccc2CNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000078907854 494377639 /nfs/dbraw/zinc/37/76/39/494377639.db2.gz LLIRWVLDOTVXBN-UHFFFAOYSA-N 1 3 361.493 3.081 20 0 FGADHO Cc1csc(N2CCC([NH2+]C[C@@H]3CCCN(CC(C)C)C3)CC2)n1 ZINC000090585776 494484556 /nfs/dbraw/zinc/48/45/56/494484556.db2.gz HGCCSZQZDQFGHP-KRWDZBQOSA-N 1 3 350.576 3.378 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000079985164 494562574 /nfs/dbraw/zinc/56/25/74/494562574.db2.gz OLUSFYSPNUSQCI-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000079985164 494562578 /nfs/dbraw/zinc/56/25/78/494562578.db2.gz OLUSFYSPNUSQCI-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080072081 494585056 /nfs/dbraw/zinc/58/50/56/494585056.db2.gz HDSLNCVXMCLCNU-GGPKGHCWSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095236 494592658 /nfs/dbraw/zinc/59/26/58/494592658.db2.gz MAOMGJMXDRQQDL-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cccc(C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000121185555 494636610 /nfs/dbraw/zinc/63/66/10/494636610.db2.gz XSAJZDIRZAMSAE-SPEDKVCISA-N 1 3 360.542 3.495 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121268792 494676042 /nfs/dbraw/zinc/67/60/42/494676042.db2.gz KTPLBNZSPPBVPE-IBGZPJMESA-N 1 3 367.537 3.167 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075163077 494700529 /nfs/dbraw/zinc/70/05/29/494700529.db2.gz FRAFXZAHANHILF-MQVJKMGUSA-N 1 3 355.482 3.240 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000075163077 494700536 /nfs/dbraw/zinc/70/05/36/494700536.db2.gz FRAFXZAHANHILF-MQVJKMGUSA-N 1 3 355.482 3.240 20 0 FGADHO C[C@H](C(=O)N1CCCCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821113 494762717 /nfs/dbraw/zinc/76/27/17/494762717.db2.gz ZZTCNOVEFHJQQH-GOSISDBHSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821426 494764723 /nfs/dbraw/zinc/76/47/23/494764723.db2.gz XXMNYDXYYOAGFV-WIYYLYMNSA-N 1 3 372.557 3.315 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000116431711 494785522 /nfs/dbraw/zinc/78/55/22/494785522.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000116431711 494785530 /nfs/dbraw/zinc/78/55/30/494785530.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO CN1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525878 505744742 /nfs/dbraw/zinc/74/47/42/505744742.db2.gz NZSVDSIBWZJSLT-APWZRJJASA-N 1 3 357.523 3.062 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000577529619 505746279 /nfs/dbraw/zinc/74/62/79/505746279.db2.gz VVKKRZINDWQVQI-YUXAGFNASA-N 1 3 365.521 3.316 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000577529619 505746281 /nfs/dbraw/zinc/74/62/81/505746281.db2.gz VVKKRZINDWQVQI-YUXAGFNASA-N 1 3 365.521 3.316 20 0 FGADHO Cc1cccc2nc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc(=O)n12 ZINC000121778784 494859011 /nfs/dbraw/zinc/85/90/11/494859011.db2.gz XLZRVZMHQYCQSR-UHFFFAOYSA-N 1 3 368.525 3.091 20 0 FGADHO O[C@H](Cc1ccccc1C(F)(F)F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000132363696 494862300 /nfs/dbraw/zinc/86/23/00/494862300.db2.gz ZMNQFHPHISFISD-GOSISDBHSA-N 1 3 370.459 3.417 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121914966 494888451 /nfs/dbraw/zinc/88/84/51/494888451.db2.gz IRGVKYJLCKMMGY-UTKZUKDTSA-N 1 3 357.542 3.005 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127306455 494925881 /nfs/dbraw/zinc/92/58/81/494925881.db2.gz QELHJKFWMDIREL-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000127306455 494925885 /nfs/dbraw/zinc/92/58/85/494925885.db2.gz QELHJKFWMDIREL-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000122215576 494941852 /nfs/dbraw/zinc/94/18/52/494941852.db2.gz QCXDBLYKUVIZRU-UHFFFAOYSA-N 1 3 368.884 3.159 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333312 494959594 /nfs/dbraw/zinc/95/95/94/494959594.db2.gz OMSPRCKNDICELG-OTWHNJEPSA-N 1 3 357.542 3.337 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@]4(CC[C@@H](C)C4)C3)CC2)CC1 ZINC000571535545 505757179 /nfs/dbraw/zinc/75/71/79/505757179.db2.gz RDOYWWMGTBUCNE-GCJKJVERSA-N 1 3 361.574 3.221 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(F)cc1 ZINC000127950220 495021503 /nfs/dbraw/zinc/02/15/03/495021503.db2.gz WPCTYDDTJJESKU-MRXNPFEDSA-N 1 3 357.473 3.010 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551442 505759801 /nfs/dbraw/zinc/75/98/01/505759801.db2.gz MXNGRDIKADRQCO-SJLPKXTDSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551442 505759805 /nfs/dbraw/zinc/75/98/05/505759805.db2.gz MXNGRDIKADRQCO-SJLPKXTDSA-N 1 3 358.448 3.319 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551442 505759807 /nfs/dbraw/zinc/75/98/07/505759807.db2.gz MXNGRDIKADRQCO-SJLPKXTDSA-N 1 3 358.448 3.319 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000123532400 495147790 /nfs/dbraw/zinc/14/77/90/495147790.db2.gz VKMFJCYHXCINOS-UHFFFAOYSA-N 1 3 371.447 3.189 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742439 495233896 /nfs/dbraw/zinc/23/38/96/495233896.db2.gz HHSZXXIYZISYJE-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742439 495233901 /nfs/dbraw/zinc/23/39/01/495233901.db2.gz HHSZXXIYZISYJE-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO CCCn1ccc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc21 ZINC000120161414 495318776 /nfs/dbraw/zinc/31/87/76/495318776.db2.gz WMOWBGYADDZRFV-UHFFFAOYSA-N 1 3 359.518 3.008 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000113624665 495321854 /nfs/dbraw/zinc/32/18/54/495321854.db2.gz YPLIAJPFEVZQJD-SFHVURJKSA-N 1 3 374.573 3.489 20 0 FGADHO Cc1nccn1CCCN(C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000136295325 495370012 /nfs/dbraw/zinc/37/00/12/495370012.db2.gz RZPJKMITYSBHHB-QGZVFWFLSA-N 1 3 368.525 3.270 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372987 495382546 /nfs/dbraw/zinc/38/25/46/495382546.db2.gz SCLRCRBVANOLMM-SQNIBIBYSA-N 1 3 356.432 3.464 20 0 FGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393593 /nfs/dbraw/zinc/39/35/93/495393593.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 1 3 362.493 3.144 20 0 FGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393598 /nfs/dbraw/zinc/39/35/98/495393598.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 1 3 362.493 3.144 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000130768337 495442152 /nfs/dbraw/zinc/44/21/52/495442152.db2.gz FYPMLDJDGUSILX-UHFFFAOYSA-N 1 3 368.525 3.199 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000130768337 495442157 /nfs/dbraw/zinc/44/21/57/495442157.db2.gz FYPMLDJDGUSILX-UHFFFAOYSA-N 1 3 368.525 3.199 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000130830455 495453271 /nfs/dbraw/zinc/45/32/71/495453271.db2.gz JXHLZIWXHWIHDC-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000130830455 495453273 /nfs/dbraw/zinc/45/32/73/495453273.db2.gz JXHLZIWXHWIHDC-WOJBJXKFSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411533 495461700 /nfs/dbraw/zinc/46/17/00/495461700.db2.gz ZHJDCQIUYJCQJK-ROUUACIJSA-N 1 3 361.530 3.043 20 0 FGADHO COc1cc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)ccc1S(C)(=O)=O ZINC000125918696 495518861 /nfs/dbraw/zinc/51/88/61/495518861.db2.gz XWMOWYMUFPJKMD-RDTXWAMCSA-N 1 3 370.559 3.116 20 0 FGADHO CN(C)CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568952 505788443 /nfs/dbraw/zinc/78/84/43/505788443.db2.gz VLIPTCPKRFJNAJ-HXUWFJFHSA-N 1 3 351.494 3.103 20 0 FGADHO CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568952 505788446 /nfs/dbraw/zinc/78/84/46/505788446.db2.gz VLIPTCPKRFJNAJ-HXUWFJFHSA-N 1 3 351.494 3.103 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154232834 495552565 /nfs/dbraw/zinc/55/25/65/495552565.db2.gz OJMUPNUWWSKLAS-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280025 495567570 /nfs/dbraw/zinc/56/75/70/495567570.db2.gz GWEKSUDOLUTFHP-UKTARXLSSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280025 495567575 /nfs/dbraw/zinc/56/75/75/495567575.db2.gz GWEKSUDOLUTFHP-UKTARXLSSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H](CCNC(=O)c1ccc(CN(C)C)cc1)[N@H+](C)Cc1ccccc1 ZINC000173593203 495603603 /nfs/dbraw/zinc/60/36/03/495603603.db2.gz TVFYFRUVGXZFES-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@@H](CCNC(=O)c1ccc(CN(C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593203 495603610 /nfs/dbraw/zinc/60/36/10/495603610.db2.gz TVFYFRUVGXZFES-SFHVURJKSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555575 495613588 /nfs/dbraw/zinc/61/35/88/495613588.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555575 495613596 /nfs/dbraw/zinc/61/35/96/495613596.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176454181 495656882 /nfs/dbraw/zinc/65/68/82/495656882.db2.gz VFCGRGHEOCGAOW-BQFCYCMXSA-N 1 3 366.575 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176454181 495656887 /nfs/dbraw/zinc/65/68/87/495656887.db2.gz VFCGRGHEOCGAOW-BQFCYCMXSA-N 1 3 366.575 3.161 20 0 FGADHO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185730929 495700764 /nfs/dbraw/zinc/70/07/64/495700764.db2.gz NOUJJJVFBXCWTG-DLBZAZTESA-N 1 3 360.498 3.095 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@]1(C)CCCC[C@H]1O)C1CCN(C)CC1 ZINC000151075559 495730681 /nfs/dbraw/zinc/73/06/81/495730681.db2.gz IDWVVDGRVDYMIP-YADHBBJMSA-N 1 3 359.558 3.248 20 0 FGADHO Clc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173953929 495762994 /nfs/dbraw/zinc/76/29/94/495762994.db2.gz FYNVBJCVRACFRX-UHFFFAOYSA-N 1 3 352.906 3.296 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNCCC(=O)Nc2cccnc2)CC1 ZINC000577841581 505802083 /nfs/dbraw/zinc/80/20/83/505802083.db2.gz XBUDKIJYRZCTQM-UHFFFAOYSA-N 1 3 366.509 3.432 20 0 FGADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180163754 495888454 /nfs/dbraw/zinc/88/84/54/495888454.db2.gz XGOGOFZBQIGTSY-KDXIVRHGSA-N 1 3 352.526 3.328 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000174480862 495977878 /nfs/dbraw/zinc/97/78/78/495977878.db2.gz HCIRGHFFAGRKNX-KNQAVFIVSA-N 1 3 371.569 3.130 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000174480862 495977883 /nfs/dbraw/zinc/97/78/83/495977883.db2.gz HCIRGHFFAGRKNX-KNQAVFIVSA-N 1 3 371.569 3.130 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000155584755 496003556 /nfs/dbraw/zinc/00/35/56/496003556.db2.gz YVZONMXUCGNYPA-ZIAGYGMSSA-N 1 3 372.326 3.265 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000155600899 496008721 /nfs/dbraw/zinc/00/87/21/496008721.db2.gz DCFJHTIRBJIYOA-QAPCUYQASA-N 1 3 351.922 3.169 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000183564924 496032807 /nfs/dbraw/zinc/03/28/07/496032807.db2.gz XUHXRVJVXFONAA-QZTJIDSGSA-N 1 3 362.562 3.447 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180547975 496041033 /nfs/dbraw/zinc/04/10/33/496041033.db2.gz HJWGGNYPWJHXEP-UHFFFAOYSA-N 1 3 364.578 3.288 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180547975 496041037 /nfs/dbraw/zinc/04/10/37/496041037.db2.gz HJWGGNYPWJHXEP-UHFFFAOYSA-N 1 3 364.578 3.288 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233033 496088067 /nfs/dbraw/zinc/08/80/67/496088067.db2.gz BMAPOZQDJVOWCG-QUCCMNQESA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233033 496088075 /nfs/dbraw/zinc/08/80/75/496088075.db2.gz BMAPOZQDJVOWCG-QUCCMNQESA-N 1 3 356.514 3.099 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152365627 496127868 /nfs/dbraw/zinc/12/78/68/496127868.db2.gz VXUSMXZXWAEDBQ-DOTOQJQBSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152365627 496127871 /nfs/dbraw/zinc/12/78/71/496127871.db2.gz VXUSMXZXWAEDBQ-DOTOQJQBSA-N 1 3 363.933 3.151 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000174890196 496150785 /nfs/dbraw/zinc/15/07/85/496150785.db2.gz MQRHAANAFPMQIF-OALUTQOASA-N 1 3 374.573 3.489 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000174890196 496150790 /nfs/dbraw/zinc/15/07/90/496150790.db2.gz MQRHAANAFPMQIF-OALUTQOASA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152451325 496155658 /nfs/dbraw/zinc/15/56/58/496155658.db2.gz NJKHWAPGWNLBPR-HOTGVXAUSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152451325 496155662 /nfs/dbraw/zinc/15/56/62/496155662.db2.gz NJKHWAPGWNLBPR-HOTGVXAUSA-N 1 3 363.933 3.151 20 0 FGADHO O[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000156155134 496173376 /nfs/dbraw/zinc/17/33/76/496173376.db2.gz RXMQAMNPKVQNAH-LJQANCHMSA-N 1 3 370.459 3.417 20 0 FGADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000177759520 496184894 /nfs/dbraw/zinc/18/48/94/496184894.db2.gz UWSXWUFZVUOPMR-LJQANCHMSA-N 1 3 369.557 3.290 20 0 FGADHO CCO[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671667 505828373 /nfs/dbraw/zinc/82/83/73/505828373.db2.gz OMKQPBVLEBXBMH-PMACEKPBSA-N 1 3 361.530 3.240 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CC2)C1 ZINC000186951902 496225706 /nfs/dbraw/zinc/22/57/06/496225706.db2.gz QVFKVUYJGQKZBI-SFHVURJKSA-N 1 3 355.526 3.032 20 0 FGADHO CC(C)CCn1cccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180992757 496232965 /nfs/dbraw/zinc/23/29/65/496232965.db2.gz XRGHAJYKOKJEJR-JOCHJYFZSA-N 1 3 355.526 3.391 20 0 FGADHO CC(C)CCn1cccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180992757 496232975 /nfs/dbraw/zinc/23/29/75/496232975.db2.gz XRGHAJYKOKJEJR-JOCHJYFZSA-N 1 3 355.526 3.391 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000574697534 505834347 /nfs/dbraw/zinc/83/43/47/505834347.db2.gz UYCYIHMXTJVPKB-MOJGAOKDSA-N 1 3 371.569 3.490 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000178143833 496346274 /nfs/dbraw/zinc/34/62/74/496346274.db2.gz IZSPSQQPTOLYMO-QGZVFWFLSA-N 1 3 359.514 3.220 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000178143833 496346278 /nfs/dbraw/zinc/34/62/78/496346278.db2.gz IZSPSQQPTOLYMO-QGZVFWFLSA-N 1 3 359.514 3.220 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000162870719 496425180 /nfs/dbraw/zinc/42/51/80/496425180.db2.gz JBDDSZQYCCAKJH-ZACQAIPSSA-N 1 3 351.510 3.432 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181662519 496491838 /nfs/dbraw/zinc/49/18/38/496491838.db2.gz DCFQTWXKEBKXHX-ZWKOTPCHSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662519 496491840 /nfs/dbraw/zinc/49/18/40/496491840.db2.gz DCFQTWXKEBKXHX-ZWKOTPCHSA-N 1 3 373.541 3.010 20 0 FGADHO CCCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000163308088 496496577 /nfs/dbraw/zinc/49/65/77/496496577.db2.gz XVGHTSXHTKYRJD-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750335 505847773 /nfs/dbraw/zinc/84/77/73/505847773.db2.gz OXUKERNCBWLJPD-OPYAIIAOSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750335 505847775 /nfs/dbraw/zinc/84/77/75/505847775.db2.gz OXUKERNCBWLJPD-OPYAIIAOSA-N 1 3 374.550 3.469 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCCCCC1 ZINC000184744692 496515626 /nfs/dbraw/zinc/51/56/26/496515626.db2.gz OTBPOLCSJFAONY-OALUTQOASA-N 1 3 357.542 3.135 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157798061 496557271 /nfs/dbraw/zinc/55/72/71/496557271.db2.gz NPGVPYYGMIQGRM-KRWDZBQOSA-N 1 3 364.559 3.288 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157798061 496557277 /nfs/dbraw/zinc/55/72/77/496557277.db2.gz NPGVPYYGMIQGRM-KRWDZBQOSA-N 1 3 364.559 3.288 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163790408 496558722 /nfs/dbraw/zinc/55/87/22/496558722.db2.gz UZJHHHXBIHEHHO-QGZVFWFLSA-N 1 3 364.497 3.355 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C12CCCC2 ZINC000181827491 496561039 /nfs/dbraw/zinc/56/10/39/496561039.db2.gz AGXITCPNSOIWQL-PMACEKPBSA-N 1 3 363.590 3.264 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCCC2 ZINC000181860833 496575244 /nfs/dbraw/zinc/57/52/44/496575244.db2.gz OSBTWVQFOPOYBB-YADHBBJMSA-N 1 3 372.553 3.471 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)cc1Br ZINC000181874889 496581569 /nfs/dbraw/zinc/58/15/69/496581569.db2.gz MLGUMPAIIPTBFF-UKRRQHHQSA-N 1 3 373.335 3.465 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000164549510 496618378 /nfs/dbraw/zinc/61/83/78/496618378.db2.gz LMKFPAKNWDYPEH-LEWJYISDSA-N 1 3 357.542 3.373 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960591 505855753 /nfs/dbraw/zinc/85/57/53/505855753.db2.gz PAIKRGVLVOPWOC-AJSBUHFISA-N 1 3 352.522 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960591 505855756 /nfs/dbraw/zinc/85/57/56/505855756.db2.gz PAIKRGVLVOPWOC-AJSBUHFISA-N 1 3 352.522 3.399 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000158160149 496640363 /nfs/dbraw/zinc/64/03/63/496640363.db2.gz DOJPUTPRDRBYGW-PKOBYXMFSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000173346453 496652757 /nfs/dbraw/zinc/65/27/57/496652757.db2.gz DNQBNCZFWFRYHY-RBUKOAKNSA-N 1 3 364.578 3.299 20 0 FGADHO CC(C)C[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167842392 496706436 /nfs/dbraw/zinc/70/64/36/496706436.db2.gz XESQGQIZQHKXEZ-SFHVURJKSA-N 1 3 351.922 3.042 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095697 496708798 /nfs/dbraw/zinc/70/87/98/496708798.db2.gz YFLDPEVMVCKBGB-FTRWYGJKSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095697 496708801 /nfs/dbraw/zinc/70/88/01/496708801.db2.gz YFLDPEVMVCKBGB-FTRWYGJKSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000168706817 496711810 /nfs/dbraw/zinc/71/18/10/496711810.db2.gz ZVZSKLIPLNJNEK-KAGYGMCKSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000168706817 496711814 /nfs/dbraw/zinc/71/18/14/496711814.db2.gz ZVZSKLIPLNJNEK-KAGYGMCKSA-N 1 3 365.521 3.303 20 0 FGADHO CCc1nc2c(s1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000182264331 496723520 /nfs/dbraw/zinc/72/35/20/496723520.db2.gz DUUCYDUOGRJBQX-ZWKOTPCHSA-N 1 3 371.550 3.439 20 0 FGADHO CCc1nc2c(s1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182264331 496723523 /nfs/dbraw/zinc/72/35/23/496723523.db2.gz DUUCYDUOGRJBQX-ZWKOTPCHSA-N 1 3 371.550 3.439 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246946042 496731970 /nfs/dbraw/zinc/73/19/70/496731970.db2.gz JBAFSRAPWCVEBA-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246946042 496731976 /nfs/dbraw/zinc/73/19/76/496731976.db2.gz JBAFSRAPWCVEBA-MOPGFXCFSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000247032822 496757998 /nfs/dbraw/zinc/75/79/98/496757998.db2.gz MHGOGSVOZBZZGM-XMSQKQJNSA-N 1 3 352.526 3.143 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000191451713 496766703 /nfs/dbraw/zinc/76/67/03/496766703.db2.gz LRFJWVVKLWRYBM-UHFFFAOYSA-N 1 3 361.549 3.496 20 0 FGADHO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503249 496787638 /nfs/dbraw/zinc/78/76/38/496787638.db2.gz BWMYKQZIFKNIFO-PZJWPPBQSA-N 1 3 359.558 3.289 20 0 FGADHO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000191503249 496787643 /nfs/dbraw/zinc/78/76/43/496787643.db2.gz BWMYKQZIFKNIFO-PZJWPPBQSA-N 1 3 359.558 3.289 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273388566 496790857 /nfs/dbraw/zinc/79/08/57/496790857.db2.gz JLEMJUVXXLTECS-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268820743 496795427 /nfs/dbraw/zinc/79/54/27/496795427.db2.gz NUXSVIXOGQJDRO-INIZCTEOSA-N 1 3 373.463 3.306 20 0 FGADHO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)c1 ZINC000268916311 496823386 /nfs/dbraw/zinc/82/33/86/496823386.db2.gz VKPRISPXVXGSAM-KRWDZBQOSA-N 1 3 369.509 3.479 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000247373291 496847116 /nfs/dbraw/zinc/84/71/16/496847116.db2.gz SHLLUSFXJUAENP-UYAOXDASSA-N 1 3 360.546 3.053 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000247373291 496847120 /nfs/dbraw/zinc/84/71/20/496847120.db2.gz SHLLUSFXJUAENP-UYAOXDASSA-N 1 3 360.546 3.053 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000247545374 496884892 /nfs/dbraw/zinc/88/48/92/496884892.db2.gz RMRZZYXQLXPUDX-XMSQKQJNSA-N 1 3 352.526 3.143 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000269329516 496921162 /nfs/dbraw/zinc/92/11/62/496921162.db2.gz BDVGXKRTGGJQLS-UHFFFAOYSA-N 1 3 370.337 3.271 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979724 496937045 /nfs/dbraw/zinc/93/70/45/496937045.db2.gz MEJMZKUHMRWOGG-ZSXHRAQDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000247979724 496937053 /nfs/dbraw/zinc/93/70/53/496937053.db2.gz MEJMZKUHMRWOGG-ZSXHRAQDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979724 496937056 /nfs/dbraw/zinc/93/70/56/496937056.db2.gz MEJMZKUHMRWOGG-ZSXHRAQDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(Cl)cc1 ZINC000247979724 496937062 /nfs/dbraw/zinc/93/70/62/496937062.db2.gz MEJMZKUHMRWOGG-ZSXHRAQDSA-N 1 3 366.933 3.195 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000269678369 496988072 /nfs/dbraw/zinc/98/80/72/496988072.db2.gz ZGLMWPORJZTJNM-UWJYYQICSA-N 1 3 370.541 3.130 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678369 496988077 /nfs/dbraw/zinc/98/80/77/496988077.db2.gz ZGLMWPORJZTJNM-UWJYYQICSA-N 1 3 370.541 3.130 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248409235 497001019 /nfs/dbraw/zinc/00/10/19/497001019.db2.gz FVVMZCTVRZRYIV-DQOBCGMHSA-N 1 3 366.553 3.468 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193894 497028960 /nfs/dbraw/zinc/02/89/60/497028960.db2.gz SGOSEKVBRZWKIX-KNQAVFIVSA-N 1 3 370.541 3.407 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193894 497028966 /nfs/dbraw/zinc/02/89/66/497028966.db2.gz SGOSEKVBRZWKIX-KNQAVFIVSA-N 1 3 370.541 3.407 20 0 FGADHO CC(C)CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000265093043 497045834 /nfs/dbraw/zinc/04/58/34/497045834.db2.gz DAVSQDAKHDOASW-UHFFFAOYSA-N 1 3 357.542 3.475 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723835 497089092 /nfs/dbraw/zinc/08/90/92/497089092.db2.gz UAXKAHVWJSTFID-OXQOHEQNSA-N 1 3 370.541 3.364 20 0 FGADHO Cc1c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723835 497089096 /nfs/dbraw/zinc/08/90/96/497089096.db2.gz UAXKAHVWJSTFID-OXQOHEQNSA-N 1 3 370.541 3.364 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248823531 497109838 /nfs/dbraw/zinc/10/98/38/497109838.db2.gz FNXXPVCGDHHJEG-BXXSPATCSA-N 1 3 350.506 3.375 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823531 497109845 /nfs/dbraw/zinc/10/98/45/497109845.db2.gz FNXXPVCGDHHJEG-BXXSPATCSA-N 1 3 350.506 3.375 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](CN)c3ccccc3)cc2)CC1 ZINC000236634665 497124523 /nfs/dbraw/zinc/12/45/23/497124523.db2.gz SIZGGXUHXAGPPF-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2cccs2)CC1 ZINC000236730326 497139456 /nfs/dbraw/zinc/13/94/56/497139456.db2.gz PTOIHTSQYYPNOL-DLBZAZTESA-N 1 3 361.555 3.027 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236903296 497166196 /nfs/dbraw/zinc/16/61/96/497166196.db2.gz NOVDXXITVIJSNI-NRFANRHFSA-N 1 3 357.542 3.137 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000237009681 497179733 /nfs/dbraw/zinc/17/97/33/497179733.db2.gz ZEMHVADXUBNORF-PKOBYXMFSA-N 1 3 372.557 3.101 20 0 FGADHO COc1ccccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000237171842 497200760 /nfs/dbraw/zinc/20/07/60/497200760.db2.gz LJWCHYKIRGRYSG-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO CC[C@](C)(O)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192841656 497227123 /nfs/dbraw/zinc/22/71/23/497227123.db2.gz XEPYHUPNKLCSNF-QFIPXVFZSA-N 1 3 361.574 3.066 20 0 FGADHO CC[C@](C)(O)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192841656 497227126 /nfs/dbraw/zinc/22/71/26/497227126.db2.gz XEPYHUPNKLCSNF-QFIPXVFZSA-N 1 3 361.574 3.066 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H](N)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000578235778 505894478 /nfs/dbraw/zinc/89/44/78/505894478.db2.gz XNYKBLANJXVWBD-UZKOGDIHSA-N 1 3 365.521 3.493 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H](N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235778 505894483 /nfs/dbraw/zinc/89/44/83/505894483.db2.gz XNYKBLANJXVWBD-UZKOGDIHSA-N 1 3 365.521 3.493 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148971 505901167 /nfs/dbraw/zinc/90/11/67/505901167.db2.gz MBILRFJMDMGXMK-FCEWJHQRSA-N 1 3 354.922 3.100 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148971 505901170 /nfs/dbraw/zinc/90/11/70/505901170.db2.gz MBILRFJMDMGXMK-FCEWJHQRSA-N 1 3 354.922 3.100 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000572148971 505901175 /nfs/dbraw/zinc/90/11/75/505901175.db2.gz MBILRFJMDMGXMK-FCEWJHQRSA-N 1 3 354.922 3.100 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000237931637 497316174 /nfs/dbraw/zinc/31/61/74/497316174.db2.gz NOYPZIZQLNJESP-NRFANRHFSA-N 1 3 351.494 3.247 20 0 FGADHO O=C(CNC1CC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000238167307 497344487 /nfs/dbraw/zinc/34/44/87/497344487.db2.gz WMSKVHUCQQLJMZ-UHFFFAOYSA-N 1 3 363.505 3.318 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000255058654 497356450 /nfs/dbraw/zinc/35/64/50/497356450.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000255058654 497356455 /nfs/dbraw/zinc/35/64/55/497356455.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 1 3 352.567 3.061 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148973 505901554 /nfs/dbraw/zinc/90/15/54/505901554.db2.gz MBILRFJMDMGXMK-GPMSIDNRSA-N 1 3 354.922 3.100 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148973 505901557 /nfs/dbraw/zinc/90/15/57/505901557.db2.gz MBILRFJMDMGXMK-GPMSIDNRSA-N 1 3 354.922 3.100 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000572148973 505901559 /nfs/dbraw/zinc/90/15/59/505901559.db2.gz MBILRFJMDMGXMK-GPMSIDNRSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000255958745 497381712 /nfs/dbraw/zinc/38/17/12/497381712.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000255958745 497381714 /nfs/dbraw/zinc/38/17/14/497381714.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261608303 497418970 /nfs/dbraw/zinc/41/89/70/497418970.db2.gz RUXOTQHUUKJONV-UYAOXDASSA-N 1 3 357.542 3.135 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000275845506 497445247 /nfs/dbraw/zinc/44/52/47/497445247.db2.gz KCURCLRCEAMYQY-FPOVZHCZSA-N 1 3 355.530 3.428 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193977628 497538174 /nfs/dbraw/zinc/53/81/74/497538174.db2.gz IKJZTFDFVYPRCJ-HMXCVIKNSA-N 1 3 358.526 3.454 20 0 FGADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(CN2CCCC2)c1 ZINC000262334354 497541840 /nfs/dbraw/zinc/54/18/40/497541840.db2.gz RZNGVPFVHICFFP-UHFFFAOYSA-N 1 3 370.522 3.458 20 0 FGADHO COc1ccccc1O[C@H](C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581125337 505915801 /nfs/dbraw/zinc/91/58/01/505915801.db2.gz OURWQDSWHRJYPV-CDMIOBSGSA-N 1 3 368.477 3.308 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](N)c1ccccc1 ZINC000262627561 497586002 /nfs/dbraw/zinc/58/60/02/497586002.db2.gz COMNDICWKFMTOP-UTKZUKDTSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000262674868 497597542 /nfs/dbraw/zinc/59/75/42/497597542.db2.gz RJYKWPCILKESHN-BLCKVISQSA-N 1 3 369.553 3.419 20 0 FGADHO COc1cccc([C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)N2CCCC2)c1 ZINC000262682047 497599600 /nfs/dbraw/zinc/59/96/00/497599600.db2.gz SZIUWVGMYJMIJX-HXUWFJFHSA-N 1 3 373.541 3.248 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(CC)CC)cc1 ZINC000572223216 505917671 /nfs/dbraw/zinc/91/76/71/505917671.db2.gz IOGBCBGPCPNKME-CTNGQTDRSA-N 1 3 374.573 3.273 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000572223216 505917673 /nfs/dbraw/zinc/91/76/73/505917673.db2.gz IOGBCBGPCPNKME-CTNGQTDRSA-N 1 3 374.573 3.273 20 0 FGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388371 497615355 /nfs/dbraw/zinc/61/53/55/497615355.db2.gz ISKBOIWIFNERMF-FPOVZHCZSA-N 1 3 370.541 3.273 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130523 497631127 /nfs/dbraw/zinc/63/11/27/497631127.db2.gz JQAWCDPGOPXXOX-DZGCQCFKSA-N 1 3 360.420 3.456 20 0 FGADHO COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272557285 497662041 /nfs/dbraw/zinc/66/20/41/497662041.db2.gz TZLBUWSBPRRTBG-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272557285 497662043 /nfs/dbraw/zinc/66/20/43/497662043.db2.gz TZLBUWSBPRRTBG-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO COc1cccc([C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557285 497662048 /nfs/dbraw/zinc/66/20/48/497662048.db2.gz TZLBUWSBPRRTBG-RBDMOPTHSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000246303481 497689914 /nfs/dbraw/zinc/68/99/14/497689914.db2.gz LTQLEBMHOZIVOR-RBUKOAKNSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000578368138 505923771 /nfs/dbraw/zinc/92/37/71/505923771.db2.gz DCWUSSLMMHUAAP-NRFANRHFSA-N 1 3 374.573 3.258 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000194564913 497706621 /nfs/dbraw/zinc/70/66/21/497706621.db2.gz WYIOUTTYPUTBNQ-LJQANCHMSA-N 1 3 365.521 3.406 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389148 497716908 /nfs/dbraw/zinc/71/69/08/497716908.db2.gz OEMXTDXDARIEKW-FPOVZHCZSA-N 1 3 357.542 3.230 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246389148 497716914 /nfs/dbraw/zinc/71/69/14/497716914.db2.gz OEMXTDXDARIEKW-FPOVZHCZSA-N 1 3 357.542 3.230 20 0 FGADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cc1 ZINC000272755199 497721991 /nfs/dbraw/zinc/72/19/91/497721991.db2.gz OPDRXYUPIBEELI-QGZVFWFLSA-N 1 3 369.509 3.479 20 0 FGADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000263171304 497722517 /nfs/dbraw/zinc/72/25/17/497722517.db2.gz FTIDADGTEBVCOE-HSZRJFAPSA-N 1 3 369.553 3.281 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410059 497723865 /nfs/dbraw/zinc/72/38/65/497723865.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410059 497723866 /nfs/dbraw/zinc/72/38/66/497723866.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 1 3 367.537 3.126 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472693 497745921 /nfs/dbraw/zinc/74/59/21/497745921.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246472693 497745926 /nfs/dbraw/zinc/74/59/26/497745926.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 1 3 372.557 3.069 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246509044 497757675 /nfs/dbraw/zinc/75/76/75/497757675.db2.gz TZGVYWSMPRBWOK-DFQSSKMNSA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750727 497760220 /nfs/dbraw/zinc/76/02/20/497760220.db2.gz URCDHHZUKIOWMI-LEWJYISDSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750727 497760223 /nfs/dbraw/zinc/76/02/23/497760223.db2.gz URCDHHZUKIOWMI-LEWJYISDSA-N 1 3 357.542 3.135 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533965 497766771 /nfs/dbraw/zinc/76/67/71/497766771.db2.gz XWQOPLREEPZNLB-YSIASYRMSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533965 497766776 /nfs/dbraw/zinc/76/67/76/497766776.db2.gz XWQOPLREEPZNLB-YSIASYRMSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246545614 497769749 /nfs/dbraw/zinc/76/97/49/497769749.db2.gz XXBLQHRSLFDVGH-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246545614 497769751 /nfs/dbraw/zinc/76/97/51/497769751.db2.gz XXBLQHRSLFDVGH-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO COc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273125474 497801804 /nfs/dbraw/zinc/80/18/04/497801804.db2.gz YUWQYPCROXACQJ-KRWDZBQOSA-N 1 3 369.509 3.146 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704757 497801859 /nfs/dbraw/zinc/80/18/59/497801859.db2.gz WOCNUTYVFFAQDK-YXYSEUPNSA-N 1 3 357.542 3.182 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000263699760 497809622 /nfs/dbraw/zinc/80/96/22/497809622.db2.gz NBLWRSUKWVGZDP-UHFFFAOYSA-N 1 3 367.921 3.482 20 0 FGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292169520 497907342 /nfs/dbraw/zinc/90/73/42/497907342.db2.gz OAWFNNLOUAMFDO-QGZVFWFLSA-N 1 3 369.509 3.180 20 0 FGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292353538 497982861 /nfs/dbraw/zinc/98/28/61/497982861.db2.gz YIBFZYHXXSHLTH-KRWDZBQOSA-N 1 3 369.509 3.180 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cncc(Br)c1 ZINC000578523921 505960489 /nfs/dbraw/zinc/96/04/89/505960489.db2.gz VLQYBRRDMKKGOC-RBSFLKMASA-N 1 3 370.335 3.384 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000281066989 498008200 /nfs/dbraw/zinc/00/82/00/498008200.db2.gz SJSKUOGDMHHZID-UHFFFAOYSA-N 1 3 372.557 3.087 20 0 FGADHO CC1CC[NH+](C[C@H](O)CN[C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000575360678 505967823 /nfs/dbraw/zinc/96/78/23/505967823.db2.gz YHCFTQRLLPGLRW-UYAOXDASSA-N 1 3 350.934 3.344 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618873 498053963 /nfs/dbraw/zinc/05/39/63/498053963.db2.gz AYOKRAGCTAETBS-PKOBYXMFSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618873 498053968 /nfs/dbraw/zinc/05/39/68/498053968.db2.gz AYOKRAGCTAETBS-PKOBYXMFSA-N 1 3 357.523 3.233 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000581403064 505980366 /nfs/dbraw/zinc/98/03/66/505980366.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000581403064 505980369 /nfs/dbraw/zinc/98/03/69/505980369.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 1 3 366.575 3.159 20 0 FGADHO CCOc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000569693725 505995342 /nfs/dbraw/zinc/99/53/42/505995342.db2.gz YLXKYOUKVKWZKP-QAPCUYQASA-N 1 3 370.440 3.015 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000569699050 505996980 /nfs/dbraw/zinc/99/69/80/505996980.db2.gz HUHVZOHBLZMXDL-PBHICJAKSA-N 1 3 351.560 3.294 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000581484136 505998685 /nfs/dbraw/zinc/99/86/85/505998685.db2.gz VFTTXXHOMKPAMC-RBSFLKMASA-N 1 3 361.313 3.196 20 0 FGADHO C[NH+](C)CCc1ccc(CNCCC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000581484416 505998734 /nfs/dbraw/zinc/99/87/34/505998734.db2.gz ISOHKQCMWGZZKN-UHFFFAOYSA-N 1 3 361.436 3.187 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296907038 498246402 /nfs/dbraw/zinc/24/64/02/498246402.db2.gz PFNQDVUNKDTFGO-QXAKKESOSA-N 1 3 363.933 3.470 20 0 FGADHO CN(Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474072 498279049 /nfs/dbraw/zinc/27/90/49/498279049.db2.gz YAIJRHIVCZQTFL-IBGZPJMESA-N 1 3 372.488 3.081 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000578759146 506014721 /nfs/dbraw/zinc/01/47/21/506014721.db2.gz RPGYYXMDQCTZTP-UNMCSNQZSA-N 1 3 360.542 3.152 20 0 FGADHO COc1ccc([C@@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CCCN2C)cc1 ZINC000365236261 498366832 /nfs/dbraw/zinc/36/68/32/498366832.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 1 3 357.542 3.293 20 0 FGADHO Cn1cc(-c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)s2)cn1 ZINC000282189874 498417224 /nfs/dbraw/zinc/41/72/24/498417224.db2.gz HCDMDAIMTOPWDM-UHFFFAOYSA-N 1 3 370.522 3.379 20 0 FGADHO CN1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720322 498423993 /nfs/dbraw/zinc/42/39/93/498423993.db2.gz XWDBPLWJUKMTAD-VGJDIJDESA-N 1 3 361.555 3.168 20 0 FGADHO C[NH+](C)CC1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCCC1 ZINC000331757804 498443459 /nfs/dbraw/zinc/44/34/59/498443459.db2.gz APCWADWUGDSXGZ-UHFFFAOYSA-N 1 3 373.541 3.094 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000290319508 498507049 /nfs/dbraw/zinc/50/70/49/498507049.db2.gz OEGRYGCXZONRGT-FHWLQOOXSA-N 1 3 362.489 3.179 20 0 FGADHO C[C@@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCCN1Cc1ccccc1 ZINC000575971173 506045671 /nfs/dbraw/zinc/04/56/71/506045671.db2.gz LBPCOBZJGHQJAE-NRFANRHFSA-N 1 3 352.482 3.322 20 0 FGADHO C[N@H+](CCOc1ccccc1Cl)C1CCN(C2CCOCC2)CC1 ZINC000362425666 498514731 /nfs/dbraw/zinc/51/47/31/498514731.db2.gz SRXIZVTXQOUVNS-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO C[N@@H+](CCOc1ccccc1Cl)C1CCN(C2CCOCC2)CC1 ZINC000362425666 498514735 /nfs/dbraw/zinc/51/47/35/498514735.db2.gz SRXIZVTXQOUVNS-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO COc1cccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363039780 498617084 /nfs/dbraw/zinc/61/70/84/498617084.db2.gz FMWQSGVRPYYZCG-UHFFFAOYSA-N 1 3 359.558 3.323 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c(C)c1OC ZINC000287072013 498617101 /nfs/dbraw/zinc/61/71/01/498617101.db2.gz VTRGBOSAWVVRFI-GOSISDBHSA-N 1 3 363.546 3.079 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000302959687 498634984 /nfs/dbraw/zinc/63/49/84/498634984.db2.gz FUVKUXWZVYJIGW-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000302959687 498634991 /nfs/dbraw/zinc/63/49/91/498634991.db2.gz FUVKUXWZVYJIGW-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO c1cc(N2CCC([NH2+]Cc3ccnc(N4CCCCC4)c3)CC2)ccn1 ZINC000294314444 498654439 /nfs/dbraw/zinc/65/44/39/498654439.db2.gz WDLYYUNOLZQJRU-UHFFFAOYSA-N 1 3 351.498 3.226 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000303269753 498659584 /nfs/dbraw/zinc/65/95/84/498659584.db2.gz HAOLEYCIPHJMCR-LEWJYISDSA-N 1 3 372.557 3.258 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000365879667 498684835 /nfs/dbraw/zinc/68/48/35/498684835.db2.gz KIPWNAQXKCNVJI-FGZHOGPDSA-N 1 3 369.553 3.374 20 0 FGADHO CN1CCC(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879667 498684844 /nfs/dbraw/zinc/68/48/44/498684844.db2.gz KIPWNAQXKCNVJI-FGZHOGPDSA-N 1 3 369.553 3.374 20 0 FGADHO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)N(C)C1CC1 ZINC000303536088 498688208 /nfs/dbraw/zinc/68/82/08/498688208.db2.gz SGCXJAXKWRCZSQ-GOSISDBHSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(OCCN(C)C)c1 ZINC000287268908 498695311 /nfs/dbraw/zinc/69/53/11/498695311.db2.gz LCCQXKGYKFSRCI-IEBWSBKVSA-N 1 3 374.529 3.026 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(OCCN(C)C)c1 ZINC000287268902 498695367 /nfs/dbraw/zinc/69/53/67/498695367.db2.gz LCCQXKGYKFSRCI-HKUYNNGSSA-N 1 3 374.529 3.026 20 0 FGADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298260371 498712342 /nfs/dbraw/zinc/71/23/42/498712342.db2.gz FLURLJMTUKIPSC-INIZCTEOSA-N 1 3 353.466 3.390 20 0 FGADHO c1ccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCC2)cc1 ZINC000298392321 498756170 /nfs/dbraw/zinc/75/61/70/498756170.db2.gz GXZKLKUJTLERBY-JOCHJYFZSA-N 1 3 350.510 3.477 20 0 FGADHO COc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000576146493 506087676 /nfs/dbraw/zinc/08/76/76/506087676.db2.gz FOXZHESHJSTSOM-NSHDSACASA-N 1 3 351.397 3.310 20 0 FGADHO C[NH+](C)CCOCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000325979611 498840288 /nfs/dbraw/zinc/84/02/88/498840288.db2.gz ZIFXFPXVRUHDNC-UHFFFAOYSA-N 1 3 358.326 3.392 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000570145950 506101047 /nfs/dbraw/zinc/10/10/47/506101047.db2.gz VDVYRIQFNDFZHQ-IIBYNOLFSA-N 1 3 364.493 3.464 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000570145950 506101049 /nfs/dbraw/zinc/10/10/49/506101049.db2.gz VDVYRIQFNDFZHQ-IIBYNOLFSA-N 1 3 364.493 3.464 20 0 FGADHO CN1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331378 498878287 /nfs/dbraw/zinc/87/82/87/498878287.db2.gz VREHVSDIWKFYJW-PKOBYXMFSA-N 1 3 357.885 3.222 20 0 FGADHO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288185859 498962809 /nfs/dbraw/zinc/96/28/09/498962809.db2.gz PXFRACJNOKSGFN-FXAWDEMLSA-N 1 3 360.546 3.051 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4cc[nH]c43)CC2)CC1 ZINC000573105939 506120288 /nfs/dbraw/zinc/12/02/88/506120288.db2.gz HDWSNGRHLXGKPG-UHFFFAOYSA-N 1 3 354.498 3.303 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000363788811 498994395 /nfs/dbraw/zinc/99/43/95/498994395.db2.gz YCZJUKVZTNXMFM-MSOLQXFVSA-N 1 3 369.557 3.152 20 0 FGADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OCc1c(C)noc1C ZINC000291701704 499040244 /nfs/dbraw/zinc/04/02/44/499040244.db2.gz KGOFODSAOYUVTH-CQSZACIVSA-N 1 3 361.486 3.166 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000291763727 499060071 /nfs/dbraw/zinc/06/00/71/499060071.db2.gz UXRVMHWMOHULQV-QGZVFWFLSA-N 1 3 364.534 3.006 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000291763727 499060075 /nfs/dbraw/zinc/06/00/75/499060075.db2.gz UXRVMHWMOHULQV-QGZVFWFLSA-N 1 3 364.534 3.006 20 0 FGADHO O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000367433015 499198449 /nfs/dbraw/zinc/19/84/49/499198449.db2.gz YNQFQYACYQKHAT-OAQYLSRUSA-N 1 3 369.553 3.217 20 0 FGADHO Cc1cccc2ncc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)n21 ZINC000370276580 499204848 /nfs/dbraw/zinc/20/48/48/499204848.db2.gz OOJKTTKQXKZOID-UHFFFAOYSA-N 1 3 364.493 3.406 20 0 FGADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625475 499236846 /nfs/dbraw/zinc/23/68/46/499236846.db2.gz YLNVFFIVDRCBSG-CABCVRRESA-N 1 3 366.347 3.268 20 0 FGADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625475 499236847 /nfs/dbraw/zinc/23/68/47/499236847.db2.gz YLNVFFIVDRCBSG-CABCVRRESA-N 1 3 366.347 3.268 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650506 499239860 /nfs/dbraw/zinc/23/98/60/499239860.db2.gz DSPPKHDRHGHFQP-IYWMVGAKSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650506 499239862 /nfs/dbraw/zinc/23/98/62/499239862.db2.gz DSPPKHDRHGHFQP-IYWMVGAKSA-N 1 3 363.546 3.142 20 0 FGADHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650506 499239863 /nfs/dbraw/zinc/23/98/63/499239863.db2.gz DSPPKHDRHGHFQP-IYWMVGAKSA-N 1 3 363.546 3.142 20 0 FGADHO NC(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370650988 499239983 /nfs/dbraw/zinc/23/99/83/499239983.db2.gz OHCHWFIHUSYPNI-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO NC(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370650988 499239984 /nfs/dbraw/zinc/23/99/84/499239984.db2.gz OHCHWFIHUSYPNI-UHFFFAOYSA-N 1 3 363.505 3.274 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370698718 499245308 /nfs/dbraw/zinc/24/53/08/499245308.db2.gz JZOHPKNOMFLNKG-QAPCUYQASA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370698718 499245310 /nfs/dbraw/zinc/24/53/10/499245310.db2.gz JZOHPKNOMFLNKG-QAPCUYQASA-N 1 3 371.447 3.043 20 0 FGADHO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698971 499245841 /nfs/dbraw/zinc/24/58/41/499245841.db2.gz KISJEAGISXEUIV-XMSQKQJNSA-N 1 3 367.537 3.306 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3cnc(C4OCCO4)s3)CC2)CC1 ZINC000368027975 499256915 /nfs/dbraw/zinc/25/69/15/499256915.db2.gz BAXCCBOLSCWILL-UHFFFAOYSA-N 1 3 365.543 3.321 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368493202 499301620 /nfs/dbraw/zinc/30/16/20/499301620.db2.gz IBJUJKNBHODKQL-AZUAARDMSA-N 1 3 352.526 3.314 20 0 FGADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)ccn1 ZINC000368520483 499303991 /nfs/dbraw/zinc/30/39/91/499303991.db2.gz VTTUCBRDMLCZLA-AZUAARDMSA-N 1 3 354.498 3.233 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1 ZINC000371320366 499310035 /nfs/dbraw/zinc/31/00/35/499310035.db2.gz CDOBQYYEZGSNPG-LJQANCHMSA-N 1 3 355.526 3.085 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000371320366 499310037 /nfs/dbraw/zinc/31/00/37/499310037.db2.gz CDOBQYYEZGSNPG-LJQANCHMSA-N 1 3 355.526 3.085 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)NC2CC2)CC1 ZINC000371403312 499321570 /nfs/dbraw/zinc/32/15/70/499321570.db2.gz OBSPVLLLVZFYSA-UHFFFAOYSA-N 1 3 357.542 3.135 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)NC2CC2)CC1 ZINC000371403312 499321571 /nfs/dbraw/zinc/32/15/71/499321571.db2.gz OBSPVLLLVZFYSA-UHFFFAOYSA-N 1 3 357.542 3.135 20 0 FGADHO C(=C/C[NH+]1CCC([C@@H]2CCOC2)CC1)\CN1CCC([C@@H]2CCOC2)CC1 ZINC000371742209 499360720 /nfs/dbraw/zinc/36/07/20/499360720.db2.gz CQEKUYHXDWZNHK-HSMZSTHASA-N 1 3 362.558 3.040 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000369062601 499361701 /nfs/dbraw/zinc/36/17/01/499361701.db2.gz HRIYWHJSVGEYKF-QAPCUYQASA-N 1 3 369.475 3.395 20 0 FGADHO CCCN1CCN(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000369158503 499372161 /nfs/dbraw/zinc/37/21/61/499372161.db2.gz YAGHKHMRKKXZAU-UHFFFAOYSA-N 1 3 363.521 3.087 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371986399 499387024 /nfs/dbraw/zinc/38/70/24/499387024.db2.gz ZMGVQLVVQOOWEY-DZFGPLHGSA-N 1 3 373.541 3.260 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000371986399 499387026 /nfs/dbraw/zinc/38/70/26/499387026.db2.gz ZMGVQLVVQOOWEY-DZFGPLHGSA-N 1 3 373.541 3.260 20 0 FGADHO CCOC(=O)C1CCC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000375301977 499504892 /nfs/dbraw/zinc/50/48/92/499504892.db2.gz IZMUGTJCPHZBAI-UHFFFAOYSA-N 1 3 374.525 3.371 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000378415472 499514220 /nfs/dbraw/zinc/51/42/20/499514220.db2.gz GWGRQIKJTMDBNV-CTNGQTDRSA-N 1 3 370.541 3.021 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000378415472 499514222 /nfs/dbraw/zinc/51/42/22/499514222.db2.gz GWGRQIKJTMDBNV-CTNGQTDRSA-N 1 3 370.541 3.021 20 0 FGADHO CN(Cc1cc(Br)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425002 499515734 /nfs/dbraw/zinc/51/57/34/499515734.db2.gz FUOBBBSAOIRORZ-HNNXBMFYSA-N 1 3 372.376 3.111 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654830 499542682 /nfs/dbraw/zinc/54/26/82/499542682.db2.gz KCESAEXKOSOUFG-JRGCBEDISA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654830 499542683 /nfs/dbraw/zinc/54/26/83/499542683.db2.gz KCESAEXKOSOUFG-JRGCBEDISA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654147 499542967 /nfs/dbraw/zinc/54/29/67/499542967.db2.gz HMMJQFSPWWUINM-RLLQIKCJSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654147 499542969 /nfs/dbraw/zinc/54/29/69/499542969.db2.gz HMMJQFSPWWUINM-RLLQIKCJSA-N 1 3 372.484 3.208 20 0 FGADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000380460988 499543786 /nfs/dbraw/zinc/54/37/86/499543786.db2.gz PDHDXLZUJRPUNR-QFBILLFUSA-N 1 3 369.509 3.120 20 0 FGADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000382724668 499546185 /nfs/dbraw/zinc/54/61/85/499546185.db2.gz RCNGBJKGQMIDAK-RTWAWAEBSA-N 1 3 357.542 3.265 20 0 FGADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000382724668 499546186 /nfs/dbraw/zinc/54/61/86/499546186.db2.gz RCNGBJKGQMIDAK-RTWAWAEBSA-N 1 3 357.542 3.265 20 0 FGADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705808 499546910 /nfs/dbraw/zinc/54/69/10/499546910.db2.gz FGVLAWACRBHFAL-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705808 499546911 /nfs/dbraw/zinc/54/69/11/499546911.db2.gz FGVLAWACRBHFAL-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495050 499564051 /nfs/dbraw/zinc/56/40/51/499564051.db2.gz APHDYODDFSOMGY-IBGZPJMESA-N 1 3 368.521 3.330 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056436 499579283 /nfs/dbraw/zinc/57/92/83/499579283.db2.gz VVMOHHRORGQZDM-HOJAQTOUSA-N 1 3 359.562 3.022 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000377194782 499669528 /nfs/dbraw/zinc/66/95/28/499669528.db2.gz IMYYRUIASXRSOW-UHFFFAOYSA-N 1 3 355.482 3.241 20 0 FGADHO CC1CC[NH+](CC2CCN(C(=O)c3ccccc3CN(C)C)CC2)CC1 ZINC000377361654 499683495 /nfs/dbraw/zinc/68/34/95/499683495.db2.gz YDJLPYPCOGCGRK-UHFFFAOYSA-N 1 3 357.542 3.332 20 0 FGADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000377398931 499687136 /nfs/dbraw/zinc/68/71/36/499687136.db2.gz BQOASQOUMNFQQB-PXNSSMCTSA-N 1 3 354.498 3.233 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000573266837 506157742 /nfs/dbraw/zinc/15/77/42/506157742.db2.gz QIRVABPCEZVUSS-MOXWOTFGSA-N 1 3 370.468 3.436 20 0 FGADHO Cc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CCC2)cc1 ZINC000414199790 499768122 /nfs/dbraw/zinc/76/81/22/499768122.db2.gz RJVRMGPPZJCUBO-JOCHJYFZSA-N 1 3 371.569 3.222 20 0 FGADHO CCc1ccc([C@H](CC)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414201674 499768211 /nfs/dbraw/zinc/76/82/11/499768211.db2.gz SXOVZWPSOUDIJJ-NRFANRHFSA-N 1 3 359.558 3.086 20 0 FGADHO OC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000414299506 499775383 /nfs/dbraw/zinc/77/53/83/499775383.db2.gz HXRXNPLVWLRUCO-NRFANRHFSA-N 1 3 369.484 3.289 20 0 FGADHO C[C@@H](CCCc1cccnc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298291 499775452 /nfs/dbraw/zinc/77/54/52/499775452.db2.gz GWVUQQVVXBDSLL-FQEVSTJZSA-N 1 3 367.537 3.410 20 0 FGADHO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414327934 499778353 /nfs/dbraw/zinc/77/83/53/499778353.db2.gz PJFUBJHVCKKGBQ-QGZVFWFLSA-N 1 3 357.542 3.442 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411158 499788292 /nfs/dbraw/zinc/78/82/92/499788292.db2.gz PHGJMAOYCCPQFB-APWZRJJASA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411158 499788293 /nfs/dbraw/zinc/78/82/93/499788293.db2.gz PHGJMAOYCCPQFB-APWZRJJASA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411158 499788296 /nfs/dbraw/zinc/78/82/96/499788296.db2.gz PHGJMAOYCCPQFB-APWZRJJASA-N 1 3 369.475 3.472 20 0 FGADHO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414694687 499821117 /nfs/dbraw/zinc/82/11/17/499821117.db2.gz DPHXWPYQUMKBAV-HNNXBMFYSA-N 1 3 372.340 3.401 20 0 FGADHO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414694687 499821118 /nfs/dbraw/zinc/82/11/18/499821118.db2.gz DPHXWPYQUMKBAV-HNNXBMFYSA-N 1 3 372.340 3.401 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414806440 499833135 /nfs/dbraw/zinc/83/31/35/499833135.db2.gz BSZGTJUTGPVBHU-GJZGRUSLSA-N 1 3 371.481 3.230 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N)CCCCC1 ZINC000414833398 499835677 /nfs/dbraw/zinc/83/56/77/499835677.db2.gz AVESEEYAUCUBOU-ZDUSSCGKSA-N 1 3 368.319 3.417 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCCC1 ZINC000414834447 499835762 /nfs/dbraw/zinc/83/57/62/499835762.db2.gz BYHIAYWCUJDPGL-HNNXBMFYSA-N 1 3 351.922 3.328 20 0 FGADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842274 499836886 /nfs/dbraw/zinc/83/68/86/499836886.db2.gz OFHBPYIPMFHNFX-JSGCOSHPSA-N 1 3 361.408 3.265 20 0 FGADHO [NH3+]C[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944257 499847223 /nfs/dbraw/zinc/84/72/23/499847223.db2.gz PLCSHGCRBKLKBZ-QHCPKHFHSA-N 1 3 360.505 3.489 20 0 FGADHO NC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944257 499847225 /nfs/dbraw/zinc/84/72/25/499847225.db2.gz PLCSHGCRBKLKBZ-QHCPKHFHSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412382236 499850265 /nfs/dbraw/zinc/85/02/65/499850265.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412382236 499850266 /nfs/dbraw/zinc/85/02/66/499850266.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 1 3 357.542 3.231 20 0 FGADHO Brc1cccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415080780 499861802 /nfs/dbraw/zinc/86/18/02/499861802.db2.gz MANCCIYOECGNII-ZACQAIPSSA-N 1 3 353.304 3.338 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1SC ZINC000415132700 499868617 /nfs/dbraw/zinc/86/86/17/499868617.db2.gz UJJDASZHZKFNEM-QFBILLFUSA-N 1 3 350.528 3.135 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415880178 499923758 /nfs/dbraw/zinc/92/37/58/499923758.db2.gz DSWHTZPUSQQUKP-UHFFFAOYSA-N 1 3 366.509 3.448 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415887794 499924751 /nfs/dbraw/zinc/92/47/51/499924751.db2.gz YIYPVAISDGNCHK-UHFFFAOYSA-N 1 3 370.541 3.452 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415887794 499924753 /nfs/dbraw/zinc/92/47/53/499924753.db2.gz YIYPVAISDGNCHK-UHFFFAOYSA-N 1 3 370.541 3.452 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000415899135 499925911 /nfs/dbraw/zinc/92/59/11/499925911.db2.gz JATZQHMUTHAVDL-VQIMIIECSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415910049 499927456 /nfs/dbraw/zinc/92/74/56/499927456.db2.gz AVNFCQBLWZYJSI-DYESRHJHSA-N 1 3 366.509 3.438 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000415923557 499929025 /nfs/dbraw/zinc/92/90/25/499929025.db2.gz WLIVUIXOEDKZDQ-UHFFFAOYSA-N 1 3 358.461 3.141 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000415942217 499931158 /nfs/dbraw/zinc/93/11/58/499931158.db2.gz IRMNUNWPLVADFA-OXQOHEQNSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000415944509 499931445 /nfs/dbraw/zinc/93/14/45/499931445.db2.gz PKONWYHWWRQMOZ-IBGZPJMESA-N 1 3 354.498 3.091 20 0 FGADHO NCc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415971425 499935710 /nfs/dbraw/zinc/93/57/10/499935710.db2.gz NAICWVSHRAUQBF-MRXNPFEDSA-N 1 3 370.419 3.256 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000415974190 499935816 /nfs/dbraw/zinc/93/58/16/499935816.db2.gz QERVMCLSMOGZHF-UZLBHIALSA-N 1 3 352.482 3.363 20 0 FGADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955849 499968130 /nfs/dbraw/zinc/96/81/30/499968130.db2.gz WINWUYSDJMJBLH-KRWDZBQOSA-N 1 3 374.573 3.099 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000413507851 499974813 /nfs/dbraw/zinc/97/48/13/499974813.db2.gz TWDPOZCQOCBSRY-GHTZIAJQSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000413507851 499974817 /nfs/dbraw/zinc/97/48/17/499974817.db2.gz TWDPOZCQOCBSRY-GHTZIAJQSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079777 499999815 /nfs/dbraw/zinc/99/98/15/499999815.db2.gz BFMXWCPXZXJNTP-CZOVOBHWSA-N 1 3 372.557 3.242 20 0 FGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624266 500006082 /nfs/dbraw/zinc/00/60/82/500006082.db2.gz JHTGGKIOHBIURA-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624266 500006083 /nfs/dbraw/zinc/00/60/83/500006083.db2.gz JHTGGKIOHBIURA-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292340 500030974 /nfs/dbraw/zinc/03/09/74/500030974.db2.gz CHZUNQOEDUIRRM-CZUORRHYSA-N 1 3 374.451 3.125 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(CCC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000417314354 500037458 /nfs/dbraw/zinc/03/74/58/500037458.db2.gz RALCNFVLGXNBME-NRFANRHFSA-N 1 3 368.525 3.158 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1(O)CCOCC1 ZINC000417350995 500046097 /nfs/dbraw/zinc/04/60/97/500046097.db2.gz ATTXRQYFJVPJEV-QHAWAJNXSA-N 1 3 372.553 3.054 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000429342339 500056409 /nfs/dbraw/zinc/05/64/09/500056409.db2.gz XTDQYAZAPQXEAO-UHFFFAOYSA-N 1 3 367.493 3.305 20 0 FGADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417385305 500056480 /nfs/dbraw/zinc/05/64/80/500056480.db2.gz LYROTRDAGPGRGY-VNTMZGSJSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385305 500056483 /nfs/dbraw/zinc/05/64/83/500056483.db2.gz LYROTRDAGPGRGY-VNTMZGSJSA-N 1 3 363.496 3.216 20 0 FGADHO FC(F)CN1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385305 500056486 /nfs/dbraw/zinc/05/64/86/500056486.db2.gz LYROTRDAGPGRGY-VNTMZGSJSA-N 1 3 363.496 3.216 20 0 FGADHO Cc1cnccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000582281769 506174963 /nfs/dbraw/zinc/17/49/63/506174963.db2.gz IUCSKGJYPCOPIF-JOCHJYFZSA-N 1 3 365.521 3.408 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545589 500103360 /nfs/dbraw/zinc/10/33/60/500103360.db2.gz XWZPZRHCEAOMNR-HNNXBMFYSA-N 1 3 368.472 3.153 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545589 500103363 /nfs/dbraw/zinc/10/33/63/500103363.db2.gz XWZPZRHCEAOMNR-HNNXBMFYSA-N 1 3 368.472 3.153 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000417616091 500125653 /nfs/dbraw/zinc/12/56/53/500125653.db2.gz ARUQUJNCYSBDJQ-INIZCTEOSA-N 1 3 366.509 3.218 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847651 500136594 /nfs/dbraw/zinc/13/65/94/500136594.db2.gz VPBVXGWHJYGHAQ-PWRODBHTSA-N 1 3 372.557 3.101 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)N(C)C)cc1 ZINC000416847223 500136709 /nfs/dbraw/zinc/13/67/09/500136709.db2.gz UYQBVCCFEVPJIW-KKSFZXQISA-N 1 3 368.525 3.371 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000416847649 500136877 /nfs/dbraw/zinc/13/68/77/500136877.db2.gz VPBVXGWHJYGHAQ-NJDAHSKKSA-N 1 3 372.557 3.101 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677577 500147116 /nfs/dbraw/zinc/14/71/16/500147116.db2.gz GCLHTCPXVUHACN-DYESRHJHSA-N 1 3 372.557 3.419 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820746 500159049 /nfs/dbraw/zinc/15/90/49/500159049.db2.gz NOTFNIPCIZXUNA-OAQYLSRUSA-N 1 3 363.521 3.293 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830973 500160924 /nfs/dbraw/zinc/16/09/24/500160924.db2.gz CEKCZQKPKNWRHZ-QHAWAJNXSA-N 1 3 364.505 3.499 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000417826277 500179912 /nfs/dbraw/zinc/17/99/12/500179912.db2.gz BZMFAKQSQGUABI-DUXKGJEZSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826277 500179915 /nfs/dbraw/zinc/17/99/15/500179915.db2.gz BZMFAKQSQGUABI-DUXKGJEZSA-N 1 3 366.509 3.039 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000417835737 500181136 /nfs/dbraw/zinc/18/11/36/500181136.db2.gz LDHMYGSWROQHAY-DUXKGJEZSA-N 1 3 372.557 3.246 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccsc1 ZINC000417008307 500182664 /nfs/dbraw/zinc/18/26/64/500182664.db2.gz MDFJDTSQXSBNQF-INIZCTEOSA-N 1 3 352.548 3.092 20 0 FGADHO CN(C)C(=O)c1ccccc1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417896648 500194159 /nfs/dbraw/zinc/19/41/59/500194159.db2.gz HTAPUAMVRKKTLG-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430217717 500210641 /nfs/dbraw/zinc/21/06/41/500210641.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430217717 500210643 /nfs/dbraw/zinc/21/06/43/500210643.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 1 3 372.557 3.024 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000570504020 506182675 /nfs/dbraw/zinc/18/26/75/506182675.db2.gz QETQZHWVKQITQW-FQEVSTJZSA-N 1 3 365.521 3.484 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418046184 500219829 /nfs/dbraw/zinc/21/98/29/500219829.db2.gz PYWGWQBNRDBZIS-PZJWPPBQSA-N 1 3 360.546 3.056 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000422172838 500226476 /nfs/dbraw/zinc/22/64/76/500226476.db2.gz XOPPXCLPLJMRNY-IVMQYODDSA-N 1 3 360.546 3.288 20 0 FGADHO CCCN(C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130228 500234222 /nfs/dbraw/zinc/23/42/22/500234222.db2.gz BVYSCYHPLVWGJT-OAQYLSRUSA-N 1 3 372.557 3.071 20 0 FGADHO CCCN(C)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175460 500243035 /nfs/dbraw/zinc/24/30/35/500243035.db2.gz FWXHRCWCAMTOOZ-MAUKXSAKSA-N 1 3 366.937 3.022 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176940 500243442 /nfs/dbraw/zinc/24/34/42/500243442.db2.gz HLTKOQLGHKFABF-MJGOQNOKSA-N 1 3 366.937 3.103 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183364 500244298 /nfs/dbraw/zinc/24/42/98/500244298.db2.gz OKZYYFDFNOLPIR-GOSISDBHSA-N 1 3 366.937 3.103 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000418182730 500244541 /nfs/dbraw/zinc/24/45/41/500244541.db2.gz NHFNNAAYEJTZQD-YLJYHZDGSA-N 1 3 360.546 3.017 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193364 500246929 /nfs/dbraw/zinc/24/69/29/500246929.db2.gz ZLXPFGAQKXAYRJ-BMGDILEWSA-N 1 3 366.937 3.150 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)N(CC)CC)cc1 ZINC000418218233 500250797 /nfs/dbraw/zinc/25/07/97/500250797.db2.gz QKYFGIZMRXCOSS-VDGAXYAQSA-N 1 3 360.546 3.072 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327850 500263269 /nfs/dbraw/zinc/26/32/69/500263269.db2.gz ZXMMQPTYBNFXFN-HXUWFJFHSA-N 1 3 372.557 3.202 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418345468 500266025 /nfs/dbraw/zinc/26/60/25/500266025.db2.gz HAPBJPOWGLOZPS-JIRNRHONSA-N 1 3 358.530 3.076 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418345468 500266028 /nfs/dbraw/zinc/26/60/28/500266028.db2.gz HAPBJPOWGLOZPS-JIRNRHONSA-N 1 3 358.530 3.076 20 0 FGADHO CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000430707559 500273206 /nfs/dbraw/zinc/27/32/06/500273206.db2.gz XVIZDCKCHBBOCX-VCOUNFBDSA-N 1 3 371.569 3.211 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418453774 500278197 /nfs/dbraw/zinc/27/81/97/500278197.db2.gz ZLSSVTGNOLYCBT-SXLOBPIMSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000418455944 500279171 /nfs/dbraw/zinc/27/91/71/500279171.db2.gz FBLQVSXZIDHHJR-KRWDZBQOSA-N 1 3 358.530 3.114 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502771 500285674 /nfs/dbraw/zinc/28/56/74/500285674.db2.gz VYSHWTOUJCCEOX-HXUWFJFHSA-N 1 3 356.514 3.069 20 0 FGADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711616 500288548 /nfs/dbraw/zinc/28/85/48/500288548.db2.gz MZVJFTQXRBFXDD-CEXWTWQISA-N 1 3 351.604 3.248 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCc2ccccc21 ZINC000422714538 500288673 /nfs/dbraw/zinc/28/86/73/500288673.db2.gz LAFLKYSAWTVPAZ-DHJUGAMNSA-N 1 3 363.505 3.283 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722289 500290316 /nfs/dbraw/zinc/29/03/16/500290316.db2.gz PBYKBBVLFSBXBP-CJNGLKHVSA-N 1 3 352.404 3.369 20 0 FGADHO CSc1nnc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725983 500290906 /nfs/dbraw/zinc/29/09/06/500290906.db2.gz CWYNTAVMMQYAKV-SJORKVTESA-N 1 3 359.543 3.323 20 0 FGADHO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422768508 500295898 /nfs/dbraw/zinc/29/58/98/500295898.db2.gz SFNWYLOAEFNYMY-YPAWHYETSA-N 1 3 369.553 3.439 20 0 FGADHO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422768871 500295944 /nfs/dbraw/zinc/29/59/44/500295944.db2.gz VAFDJBUEPVBEOG-SJLPKXTDSA-N 1 3 354.498 3.177 20 0 FGADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418634163 500298785 /nfs/dbraw/zinc/29/87/85/500298785.db2.gz DVGHZSLXOQSBST-GHTZIAJQSA-N 1 3 370.541 3.163 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418636391 500299383 /nfs/dbraw/zinc/29/93/83/500299383.db2.gz IGWLCJQSHBXVGK-LJQANCHMSA-N 1 3 360.546 3.058 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422840452 500304151 /nfs/dbraw/zinc/30/41/51/500304151.db2.gz SYHGLNMDXBSXHA-NVXWUHKLSA-N 1 3 358.555 3.473 20 0 FGADHO Cc1cccc(COc2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422841556 500304606 /nfs/dbraw/zinc/30/46/06/500304606.db2.gz DCKGTGBHYISXJO-MTNREXPMSA-N 1 3 354.494 3.416 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678507 500306548 /nfs/dbraw/zinc/30/65/48/500306548.db2.gz VPBXJQOPMRCUHH-ICSRJNTNSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418687592 500308171 /nfs/dbraw/zinc/30/81/71/500308171.db2.gz DNJBEGCUPJRDEN-QWFCFKBJSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@@H]1CN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932328 500309287 /nfs/dbraw/zinc/30/92/87/500309287.db2.gz DZMUFHBPDSURGG-WRWLIDTKSA-N 1 3 357.523 3.013 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(C)cc2OC(C)C)CC[NH2+]CC1 ZINC000422879963 500309516 /nfs/dbraw/zinc/30/95/16/500309516.db2.gz WIRJPPYCSSZOGD-KRWDZBQOSA-N 1 3 362.514 3.193 20 0 FGADHO C[C@@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000418701413 500309699 /nfs/dbraw/zinc/30/96/99/500309699.db2.gz GGYQOPLZRFZDJF-RBUKOAKNSA-N 1 3 368.525 3.066 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885495 500311095 /nfs/dbraw/zinc/31/10/95/500311095.db2.gz YXEJLSVHBOQSQJ-MKCYZYCBSA-N 1 3 367.603 3.021 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906773 500314909 /nfs/dbraw/zinc/31/49/09/500314909.db2.gz KIORKMYJESBENT-LJHODMEESA-N 1 3 353.913 3.421 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915283 500316390 /nfs/dbraw/zinc/31/63/90/500316390.db2.gz APVCFNKVJAVHQE-BHIFYINESA-N 1 3 356.558 3.157 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922042 500317188 /nfs/dbraw/zinc/31/71/88/500317188.db2.gz RQBWYDONALSHHE-STQMWFEESA-N 1 3 356.869 3.451 20 0 FGADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922857 500317674 /nfs/dbraw/zinc/31/76/74/500317674.db2.gz QYJNDMHLJPNNBR-STQMWFEESA-N 1 3 351.800 3.382 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929166 500318277 /nfs/dbraw/zinc/31/82/77/500318277.db2.gz OMSBSMXEWLOFOF-OQIJWPOYSA-N 1 3 352.906 3.244 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422929167 500318543 /nfs/dbraw/zinc/31/85/43/500318543.db2.gz OMSBSMXEWLOFOF-QXCFHYIPSA-N 1 3 352.906 3.244 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952285 500322836 /nfs/dbraw/zinc/32/28/36/500322836.db2.gz CBLPTMBLVAMAKI-LBPRGKRZSA-N 1 3 371.872 3.445 20 0 FGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431031038 500326081 /nfs/dbraw/zinc/32/60/81/500326081.db2.gz UHDVFZCJADBTQM-UHFFFAOYSA-N 1 3 370.324 3.027 20 0 FGADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015552 500331154 /nfs/dbraw/zinc/33/11/54/500331154.db2.gz ADBQIPVQTODZQL-BMGDILEWSA-N 1 3 352.881 3.257 20 0 FGADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015558 500331208 /nfs/dbraw/zinc/33/12/08/500331208.db2.gz ADBQIPVQTODZQL-ZTFGCOKTSA-N 1 3 352.881 3.257 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025138 500332418 /nfs/dbraw/zinc/33/24/18/500332418.db2.gz KTJMEJQFMIKPSM-RZFNWQHOSA-N 1 3 365.521 3.352 20 0 FGADHO Fc1cccc(NCCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423035579 500333902 /nfs/dbraw/zinc/33/39/02/500333902.db2.gz RWSADXRKFVQDJW-FPOVZHCZSA-N 1 3 355.457 3.473 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCc2ccccc2F)cc1 ZINC000423051784 500335804 /nfs/dbraw/zinc/33/58/04/500335804.db2.gz PAYDYGMQWVTGLX-NYSBEXSLSA-N 1 3 358.457 3.247 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060408 500336958 /nfs/dbraw/zinc/33/69/58/500336958.db2.gz IBHHNNMQIJHAAE-ZHRRBRCNSA-N 1 3 352.526 3.410 20 0 FGADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423073927 500338729 /nfs/dbraw/zinc/33/87/29/500338729.db2.gz SQVFCRZVMBIQDL-HGMXIMQMSA-N 1 3 356.297 3.206 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423075635 500339166 /nfs/dbraw/zinc/33/91/66/500339166.db2.gz PABBEHCCBQYHCZ-XSDIEEQYSA-N 1 3 359.583 3.114 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423076709 500339536 /nfs/dbraw/zinc/33/95/36/500339536.db2.gz RTCXINMEZZZMET-KBMXLJTQSA-N 1 3 358.448 3.155 20 0 FGADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCCCC[C@@H]3N)c2)n1 ZINC000423082204 500340159 /nfs/dbraw/zinc/34/01/59/500340159.db2.gz WMMNAMOKEHYHOO-HOTGVXAUSA-N 1 3 359.495 3.346 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093049 500340969 /nfs/dbraw/zinc/34/09/69/500340969.db2.gz FNBCYGZJFSTGPE-OTUNNCPPSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093049 500340972 /nfs/dbraw/zinc/34/09/72/500340972.db2.gz FNBCYGZJFSTGPE-OTUNNCPPSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCNCC1 ZINC000423093115 500341049 /nfs/dbraw/zinc/34/10/49/500341049.db2.gz FUZZLIKQSNCNOC-CJNGLKHVSA-N 1 3 372.294 3.344 20 0 FGADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCNCc2cccnc2)C3)cc1 ZINC000423182795 500352760 /nfs/dbraw/zinc/35/27/60/500352760.db2.gz FNCBLEJJEVCHTO-WBDAEOGXSA-N 1 3 364.537 3.347 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423193215 500354211 /nfs/dbraw/zinc/35/42/11/500354211.db2.gz VLMKVXATEDYOBK-UONOGXRCSA-N 1 3 354.336 3.129 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423294762 500362688 /nfs/dbraw/zinc/36/26/88/500362688.db2.gz VFYZZUYKVIWJBB-GJZGRUSLSA-N 1 3 361.511 3.319 20 0 FGADHO CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000427177688 500363401 /nfs/dbraw/zinc/36/34/01/500363401.db2.gz IIOKRKWQCZCOTI-FQEVSTJZSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1C[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccsc2S1 ZINC000423384173 500368693 /nfs/dbraw/zinc/36/86/93/500368693.db2.gz JXTDRPXPUKBSFT-UHTWSYAYSA-N 1 3 365.490 3.099 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423409058 500371765 /nfs/dbraw/zinc/37/17/65/500371765.db2.gz BHNLUVZRXNKTOU-LLGFUMIMSA-N 1 3 351.494 3.347 20 0 FGADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)c1 ZINC000423533026 500382789 /nfs/dbraw/zinc/38/27/89/500382789.db2.gz WJWUGRUXLCWQOZ-XPSJVXEXSA-N 1 3 371.525 3.156 20 0 FGADHO COc1cc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)ccc1F ZINC000423580747 500386874 /nfs/dbraw/zinc/38/68/74/500386874.db2.gz YJLPNOAJGFHYAK-QGZVFWFLSA-N 1 3 371.500 3.478 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC000423749771 500399070 /nfs/dbraw/zinc/39/90/70/500399070.db2.gz SGECYOXZTTUXJT-CQSZACIVSA-N 1 3 361.436 3.189 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423754500 500399316 /nfs/dbraw/zinc/39/93/16/500399316.db2.gz YROCTJFCQYUIPI-FUHWJXTLSA-N 1 3 351.922 3.138 20 0 FGADHO C[C@H](CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774688 500401040 /nfs/dbraw/zinc/40/10/40/500401040.db2.gz OIKOUKOXKZTCFP-KDOFPFPSSA-N 1 3 351.922 3.085 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC000431655076 500403748 /nfs/dbraw/zinc/40/37/48/500403748.db2.gz WGZZQMFTDMQPJQ-CTNGQTDRSA-N 1 3 373.541 3.213 20 0 FGADHO COc1cccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC000431655076 500403750 /nfs/dbraw/zinc/40/37/50/500403750.db2.gz WGZZQMFTDMQPJQ-CTNGQTDRSA-N 1 3 373.541 3.213 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423845240 500411248 /nfs/dbraw/zinc/41/12/48/500411248.db2.gz JZIATOAWUXQNST-QGZVFWFLSA-N 1 3 358.530 3.023 20 0 FGADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914461 500419027 /nfs/dbraw/zinc/41/90/27/500419027.db2.gz XXGGPQXHVAPLRY-UXHICEINSA-N 1 3 355.526 3.161 20 0 FGADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914461 500419029 /nfs/dbraw/zinc/41/90/29/500419029.db2.gz XXGGPQXHVAPLRY-UXHICEINSA-N 1 3 355.526 3.161 20 0 FGADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270865 500431724 /nfs/dbraw/zinc/43/17/24/500431724.db2.gz JVODJVVLIBUXKF-HXUWFJFHSA-N 1 3 357.523 3.028 20 0 FGADHO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCNCC1 ZINC000420270865 500431726 /nfs/dbraw/zinc/43/17/26/500431726.db2.gz JVODJVVLIBUXKF-HXUWFJFHSA-N 1 3 357.523 3.028 20 0 FGADHO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCNCC1 ZINC000420270865 500431728 /nfs/dbraw/zinc/43/17/28/500431728.db2.gz JVODJVVLIBUXKF-HXUWFJFHSA-N 1 3 357.523 3.028 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293764 500434884 /nfs/dbraw/zinc/43/48/84/500434884.db2.gz AJXWBSNSGAWYCJ-OFNKIYASSA-N 1 3 368.521 3.500 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303063 500437780 /nfs/dbraw/zinc/43/77/80/500437780.db2.gz NAJMPDCQGOHLHQ-UGKGYDQZSA-N 1 3 354.494 3.109 20 0 FGADHO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431903066 500441491 /nfs/dbraw/zinc/44/14/91/500441491.db2.gz MNKCMZOBCXPAST-FGZHOGPDSA-N 1 3 365.521 3.460 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324625 500441777 /nfs/dbraw/zinc/44/17/77/500441777.db2.gz HLAUOAOGWDZMQS-VSZNYVQBSA-N 1 3 361.555 3.122 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323894 500441888 /nfs/dbraw/zinc/44/18/88/500441888.db2.gz UOSQXGXLYAYHCZ-IFMALSPDSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323894 500441891 /nfs/dbraw/zinc/44/18/91/500441891.db2.gz UOSQXGXLYAYHCZ-IFMALSPDSA-N 1 3 354.494 3.419 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323894 500441892 /nfs/dbraw/zinc/44/18/92/500441892.db2.gz UOSQXGXLYAYHCZ-IFMALSPDSA-N 1 3 354.494 3.419 20 0 FGADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000420368314 500449552 /nfs/dbraw/zinc/44/95/52/500449552.db2.gz NNOIRFWEPBEKBN-MRXNPFEDSA-N 1 3 368.319 3.275 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3cccc4ccccc43)CC2)C1 ZINC000420381342 500452083 /nfs/dbraw/zinc/45/20/83/500452083.db2.gz CITMPYOVZCXORH-SIKLNZKXSA-N 1 3 354.494 3.437 20 0 FGADHO C[C@@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400154 500455240 /nfs/dbraw/zinc/45/52/40/500455240.db2.gz IJEATHPHJPYQKL-WIYYLYMNSA-N 1 3 365.521 3.199 20 0 FGADHO CC(C)[C@@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000428051740 500462734 /nfs/dbraw/zinc/46/27/34/500462734.db2.gz WXOJVCCVXIWZNG-QGZVFWFLSA-N 1 3 371.447 3.112 20 0 FGADHO CC(C)[C@@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000428051740 500462736 /nfs/dbraw/zinc/46/27/36/500462736.db2.gz WXOJVCCVXIWZNG-QGZVFWFLSA-N 1 3 371.447 3.112 20 0 FGADHO [NH3+][C@H](CCC(=O)NCC1CCN(c2ccncc2)CC1)CC1CCCCC1 ZINC000424179400 500463981 /nfs/dbraw/zinc/46/39/81/500463981.db2.gz YVYNGIYNUMPBOY-HXUWFJFHSA-N 1 3 372.557 3.492 20 0 FGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCCN3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000424265288 500478430 /nfs/dbraw/zinc/47/84/30/500478430.db2.gz JTHUTBBCOPUBRP-XBLRLVIHSA-N 1 3 371.569 3.382 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(C)cc3)CC2)CC1 ZINC000573458252 506198697 /nfs/dbraw/zinc/19/86/97/506198697.db2.gz NUQOIUFNVABCGR-FCHUYYIVSA-N 1 3 369.553 3.163 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCCN3C)cc2)CC1 ZINC000420755294 500495312 /nfs/dbraw/zinc/49/53/12/500495312.db2.gz CNFDJEWZIWRXJQ-OAQYLSRUSA-N 1 3 372.557 3.154 20 0 FGADHO OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462048 500512486 /nfs/dbraw/zinc/51/24/86/500512486.db2.gz SVDBSEJMRWDDMZ-KAOXLYBCSA-N 1 3 372.553 3.056 20 0 FGADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000573483087 506202591 /nfs/dbraw/zinc/20/25/91/506202591.db2.gz IPPKZFHEFURJLC-FCHUYYIVSA-N 1 3 365.521 3.420 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566120 /nfs/dbraw/zinc/56/61/20/500566120.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566124 /nfs/dbraw/zinc/56/61/24/500566124.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762158 500622022 /nfs/dbraw/zinc/62/20/22/500622022.db2.gz QEMBJILASUOMCI-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762158 500622025 /nfs/dbraw/zinc/62/20/25/500622025.db2.gz QEMBJILASUOMCI-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762158 500622030 /nfs/dbraw/zinc/62/20/30/500622030.db2.gz QEMBJILASUOMCI-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000433110903 500628445 /nfs/dbraw/zinc/62/84/45/500628445.db2.gz CUALCZYAGCJZPE-QFIPXVFZSA-N 1 3 365.521 3.460 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868088 500636919 /nfs/dbraw/zinc/63/69/19/500636919.db2.gz BNEHZFKWAVVBOT-OAQYLSRUSA-N 1 3 371.569 3.395 20 0 FGADHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928526 500648364 /nfs/dbraw/zinc/64/83/64/500648364.db2.gz PPDAQOLJTQKBAA-QGZVFWFLSA-N 1 3 355.482 3.230 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054781 500669580 /nfs/dbraw/zinc/66/95/80/500669580.db2.gz AEJUAKIJNCFECX-BZSNNMDCSA-N 1 3 357.542 3.192 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437634772 500672880 /nfs/dbraw/zinc/67/28/80/500672880.db2.gz KZIKBOCGPMPHAH-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437634772 500672882 /nfs/dbraw/zinc/67/28/82/500672882.db2.gz KZIKBOCGPMPHAH-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1=CCN(C)CC1 ZINC000443122195 500683201 /nfs/dbraw/zinc/68/32/01/500683201.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 1 3 367.537 3.055 20 0 FGADHO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1=CCN(C)CC1 ZINC000443122195 500683203 /nfs/dbraw/zinc/68/32/03/500683203.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 1 3 367.537 3.055 20 0 FGADHO c1ccc(COc2ccccc2CN2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000573564892 506212520 /nfs/dbraw/zinc/21/25/20/506212520.db2.gz MBDRBOVCBRWYHG-IBGZPJMESA-N 1 3 351.494 3.482 20 0 FGADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964189 500698279 /nfs/dbraw/zinc/69/82/79/500698279.db2.gz PKPOITQJKZZGEW-GOSISDBHSA-N 1 3 352.567 3.062 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376313 500715947 /nfs/dbraw/zinc/71/59/47/500715947.db2.gz WMBWZTZOUPRBHH-SFHVURJKSA-N 1 3 358.486 3.313 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376313 500715949 /nfs/dbraw/zinc/71/59/49/500715949.db2.gz WMBWZTZOUPRBHH-SFHVURJKSA-N 1 3 358.486 3.313 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000570710424 506214729 /nfs/dbraw/zinc/21/47/29/506214729.db2.gz ZTLIRGDSUWHROT-IRXDYDNUSA-N 1 3 354.922 3.098 20 0 FGADHO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000434178525 500806925 /nfs/dbraw/zinc/80/69/25/500806925.db2.gz WSKAJULCVQZAQF-IBGZPJMESA-N 1 3 373.541 3.389 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664869 506219229 /nfs/dbraw/zinc/21/92/29/506219229.db2.gz LJPKKGIINCOKLR-KNKQGSTJSA-N 1 3 371.569 3.271 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000607664869 506219235 /nfs/dbraw/zinc/21/92/35/506219235.db2.gz LJPKKGIINCOKLR-KNKQGSTJSA-N 1 3 371.569 3.271 20 0 FGADHO CC(CN1CCC([C@H]2CCCO2)CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439298799 500882525 /nfs/dbraw/zinc/88/25/25/500882525.db2.gz VVHQSWFQXLTJGX-FGZHOGPDSA-N 1 3 364.574 3.405 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC2(CN(C)C)CCC2)cc1 ZINC000439517020 500909583 /nfs/dbraw/zinc/90/95/83/500909583.db2.gz GZDKMLYNUBXKPK-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@]2(N(C)C)CCSC2)CC1 ZINC000449174967 500940946 /nfs/dbraw/zinc/94/09/46/500940946.db2.gz JGNRIQPBJBZKLB-RXVVDRJESA-N 1 3 361.599 3.109 20 0 FGADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000439839154 500944199 /nfs/dbraw/zinc/94/41/99/500944199.db2.gz VBHSGIZKCSEPMP-OAQYLSRUSA-N 1 3 373.541 3.040 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000449227278 500952486 /nfs/dbraw/zinc/95/24/86/500952486.db2.gz UCKOZFDSVIDVNQ-HXUWFJFHSA-N 1 3 355.526 3.325 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC([C@@H](C)[NH3+])CC3)c2C)cc1 ZINC000435374764 500962577 /nfs/dbraw/zinc/96/25/77/500962577.db2.gz YEIJQQLUTFZXSV-OAHLLOKOSA-N 1 3 356.514 3.116 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435380481 500963885 /nfs/dbraw/zinc/96/38/85/500963885.db2.gz NZVHMNUDRCIDMI-YJLNNSPDSA-N 1 3 360.452 3.327 20 0 FGADHO C[C@H](CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325464 500977750 /nfs/dbraw/zinc/97/77/50/500977750.db2.gz MUVRSJVLOQJWAP-CVEARBPZSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325464 500977752 /nfs/dbraw/zinc/97/77/52/500977752.db2.gz MUVRSJVLOQJWAP-CVEARBPZSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@H](CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325464 500977754 /nfs/dbraw/zinc/97/77/54/500977754.db2.gz MUVRSJVLOQJWAP-CVEARBPZSA-N 1 3 351.485 3.169 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440159848 500981968 /nfs/dbraw/zinc/98/19/68/500981968.db2.gz LGNLVHGKMUWVQA-OAQYLSRUSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440159848 500981970 /nfs/dbraw/zinc/98/19/70/500981970.db2.gz LGNLVHGKMUWVQA-OAQYLSRUSA-N 1 3 355.526 3.174 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ncccc2C)CC1 ZINC000449488157 501015745 /nfs/dbraw/zinc/01/57/45/501015745.db2.gz DEEJSVGHTDWQQF-UHFFFAOYSA-N 1 3 352.526 3.254 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550156 501030643 /nfs/dbraw/zinc/03/06/43/501030643.db2.gz CJKKCSKMVBEBNP-SJBKTWHCSA-N 1 3 371.569 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550156 501030645 /nfs/dbraw/zinc/03/06/45/501030645.db2.gz CJKKCSKMVBEBNP-SJBKTWHCSA-N 1 3 371.569 3.202 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446136624 501080238 /nfs/dbraw/zinc/08/02/38/501080238.db2.gz KCPHNEJYEFTACJ-IBGZPJMESA-N 1 3 360.546 3.195 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777816 501084269 /nfs/dbraw/zinc/08/42/69/501084269.db2.gz VPFUFXYIHBIGMK-LMCOJAPRSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@H](c4nccn4C)C3)CC2)C1 ZINC000449777816 501084273 /nfs/dbraw/zinc/08/42/73/501084273.db2.gz VPFUFXYIHBIGMK-LMCOJAPRSA-N 1 3 360.546 3.273 20 0 FGADHO C[NH+](C)CCOc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436274231 501100361 /nfs/dbraw/zinc/10/03/61/501100361.db2.gz LTIPYQRSNMRHFX-UHFFFAOYSA-N 1 3 356.495 3.368 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441382165 501130837 /nfs/dbraw/zinc/13/08/37/501130837.db2.gz NKEROCDJCOCAJY-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000446565827 501134265 /nfs/dbraw/zinc/13/42/65/501134265.db2.gz QCXAINXBMZQPEL-UHFFFAOYSA-N 1 3 360.546 3.376 20 0 FGADHO CCc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524212 501144822 /nfs/dbraw/zinc/14/48/22/501144822.db2.gz BHVQDGNZFNBISK-QFIPXVFZSA-N 1 3 350.510 3.041 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000446750348 501160741 /nfs/dbraw/zinc/16/07/41/501160741.db2.gz GINSWFNGDNSHLI-GHTZIAJQSA-N 1 3 371.529 3.272 20 0 FGADHO CC(C)[C@@H](COCc1ccccc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446837296 501170848 /nfs/dbraw/zinc/17/08/48/501170848.db2.gz WPIHAZSPAVSYBD-IFMALSPDSA-N 1 3 360.542 3.318 20 0 FGADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@@H]4C)CC3)C2)n(C)n1 ZINC000446920533 501181132 /nfs/dbraw/zinc/18/11/32/501181132.db2.gz MNLKJOCNZGPDGR-DZFGPLHGSA-N 1 3 373.589 3.330 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453169616 501283683 /nfs/dbraw/zinc/28/36/83/501283683.db2.gz XVWHRGRLMSFKCC-VAMGGRTRSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453169616 501283686 /nfs/dbraw/zinc/28/36/86/501283686.db2.gz XVWHRGRLMSFKCC-VAMGGRTRSA-N 1 3 357.542 3.324 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695581 501289402 /nfs/dbraw/zinc/28/94/02/501289402.db2.gz VDMGPXCVKIVVLN-MSOLQXFVSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000457695581 501289403 /nfs/dbraw/zinc/28/94/03/501289403.db2.gz VDMGPXCVKIVVLN-MSOLQXFVSA-N 1 3 366.575 3.255 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCCC[C@@H]1C ZINC000457705950 501291739 /nfs/dbraw/zinc/29/17/39/501291739.db2.gz LNQGSCNFKDQEON-DLBZAZTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCCC[C@@H]1C ZINC000457705950 501291742 /nfs/dbraw/zinc/29/17/42/501291742.db2.gz LNQGSCNFKDQEON-DLBZAZTESA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000458575550 501478298 /nfs/dbraw/zinc/47/82/98/501478298.db2.gz XVJXSSODRJRUEB-PKOBYXMFSA-N 1 3 360.546 3.069 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000454460010 501550525 /nfs/dbraw/zinc/55/05/25/501550525.db2.gz RAHUSYVSCXTRSR-KRWDZBQOSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459271211 501622810 /nfs/dbraw/zinc/62/28/10/501622810.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459271211 501622811 /nfs/dbraw/zinc/62/28/11/501622811.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CCCN(CCC)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460347170 501798811 /nfs/dbraw/zinc/79/88/11/501798811.db2.gz MTMKTQWXYSDJAD-NGRWLJPCSA-N 1 3 359.558 3.381 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544824 501809965 /nfs/dbraw/zinc/80/99/65/501809965.db2.gz BMAPOZQDJVOWCG-ICSRJNTNSA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544824 501809968 /nfs/dbraw/zinc/80/99/68/501809968.db2.gz BMAPOZQDJVOWCG-ICSRJNTNSA-N 1 3 356.514 3.099 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000477884929 501819433 /nfs/dbraw/zinc/81/94/33/501819433.db2.gz VEOUVWFMNUDFOQ-YLJYHZDGSA-N 1 3 360.546 3.097 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccco1 ZINC000477884694 501820002 /nfs/dbraw/zinc/82/00/02/501820002.db2.gz WZZNROWQWKNNRM-WMZOPIPTSA-N 1 3 364.534 3.128 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834853 /nfs/dbraw/zinc/83/48/53/501834853.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834858 /nfs/dbraw/zinc/83/48/58/501834858.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 1 3 374.573 3.459 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnccc3C)CC2)c1 ZINC000474491747 501854398 /nfs/dbraw/zinc/85/43/98/501854398.db2.gz REMFMHFNZLSVPE-UHFFFAOYSA-N 1 3 352.526 3.390 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629628 501899977 /nfs/dbraw/zinc/89/99/77/501899977.db2.gz NBOIHDDYNPQOMT-CYXJOQHWSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629628 501899983 /nfs/dbraw/zinc/89/99/83/501899983.db2.gz NBOIHDDYNPQOMT-CYXJOQHWSA-N 1 3 361.505 3.104 20 0 FGADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482145210 501989256 /nfs/dbraw/zinc/98/92/56/501989256.db2.gz NMMBVSXRLVGUOV-OAQYLSRUSA-N 1 3 354.473 3.010 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1cc(N)ccc1F ZINC000482152685 501990972 /nfs/dbraw/zinc/99/09/72/501990972.db2.gz ACTQMKZUAQOGOO-MAUKXSAKSA-N 1 3 364.509 3.227 20 0 FGADHO C[C@@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCc1ccccc1 ZINC000474979616 502011131 /nfs/dbraw/zinc/01/11/31/502011131.db2.gz YWTXHLFSEBEBLW-ATNRPFFGSA-N 1 3 371.569 3.225 20 0 FGADHO C[C@@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCc1ccccc1 ZINC000474979616 502011133 /nfs/dbraw/zinc/01/11/33/502011133.db2.gz YWTXHLFSEBEBLW-ATNRPFFGSA-N 1 3 371.569 3.225 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC(C[NH+](C)C)CC3)c2C)cc1 ZINC000468408985 502049592 /nfs/dbraw/zinc/04/95/92/502049592.db2.gz QPRVFXBUMMECIO-UHFFFAOYSA-N 1 3 370.541 3.330 20 0 FGADHO CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000468413441 502052070 /nfs/dbraw/zinc/05/20/70/502052070.db2.gz VUGHEEMGTSPCGJ-FPOVZHCZSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000468413441 502052078 /nfs/dbraw/zinc/05/20/78/502052078.db2.gz VUGHEEMGTSPCGJ-FPOVZHCZSA-N 1 3 359.558 3.323 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475098629 502057188 /nfs/dbraw/zinc/05/71/88/502057188.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475098629 502057190 /nfs/dbraw/zinc/05/71/90/502057190.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475113239 502064043 /nfs/dbraw/zinc/06/40/43/502064043.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475113239 502064048 /nfs/dbraw/zinc/06/40/48/502064048.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526074 502099887 /nfs/dbraw/zinc/09/98/87/502099887.db2.gz SMULXXFKAZXGSZ-PKOBYXMFSA-N 1 3 371.525 3.411 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526074 502099890 /nfs/dbraw/zinc/09/98/90/502099890.db2.gz SMULXXFKAZXGSZ-PKOBYXMFSA-N 1 3 371.525 3.411 20 0 FGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000482529430 502101443 /nfs/dbraw/zinc/10/14/43/502101443.db2.gz GTAJCYPEDTTWEP-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536655 502104536 /nfs/dbraw/zinc/10/45/36/502104536.db2.gz MRIAFPLPSYOYEV-CHWSQXEVSA-N 1 3 358.313 3.231 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561158 502111142 /nfs/dbraw/zinc/11/11/42/502111142.db2.gz YVYDBYKTMVUSAX-FGZHOGPDSA-N 1 3 365.521 3.147 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561158 502111145 /nfs/dbraw/zinc/11/11/45/502111145.db2.gz YVYDBYKTMVUSAX-FGZHOGPDSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000461445745 502116478 /nfs/dbraw/zinc/11/64/78/502116478.db2.gz FQHPGMZJXSCTET-BAGYTPMASA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000461445745 502116484 /nfs/dbraw/zinc/11/64/84/502116484.db2.gz FQHPGMZJXSCTET-BAGYTPMASA-N 1 3 369.553 3.231 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000468683547 502145529 /nfs/dbraw/zinc/14/55/29/502145529.db2.gz GOZDNJKOSRUARZ-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000468749171 502169332 /nfs/dbraw/zinc/16/93/32/502169332.db2.gz JCBYZIWAFWUEJP-CQSZACIVSA-N 1 3 365.424 3.038 20 0 FGADHO Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000468749171 502169335 /nfs/dbraw/zinc/16/93/35/502169335.db2.gz JCBYZIWAFWUEJP-CQSZACIVSA-N 1 3 365.424 3.038 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479221932 502197898 /nfs/dbraw/zinc/19/78/98/502197898.db2.gz LPBIKNRRFNPTGI-HXUWFJFHSA-N 1 3 357.473 3.026 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](CN)c3ccc(F)cc3)cc21 ZINC000479229903 502199205 /nfs/dbraw/zinc/19/92/05/502199205.db2.gz RUTCMYYGJYRWKN-LJQANCHMSA-N 1 3 368.456 3.023 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCN1C ZINC000465559808 502307879 /nfs/dbraw/zinc/30/78/79/502307879.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCN1C ZINC000465559808 502307883 /nfs/dbraw/zinc/30/78/83/502307883.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 1 3 372.557 3.343 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006378 502329501 /nfs/dbraw/zinc/32/95/01/502329501.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006378 502329509 /nfs/dbraw/zinc/32/95/09/502329509.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466038658 502461847 /nfs/dbraw/zinc/46/18/47/502461847.db2.gz KVUDQYVHOOWDSX-SJORKVTESA-N 1 3 366.575 3.084 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000483806062 502497843 /nfs/dbraw/zinc/49/78/43/502497843.db2.gz JQMPGYTZSRTRLI-JBACZVJFSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@@H]1C ZINC000483806062 502497844 /nfs/dbraw/zinc/49/78/44/502497844.db2.gz JQMPGYTZSRTRLI-JBACZVJFSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000476480492 502501031 /nfs/dbraw/zinc/50/10/31/502501031.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000476480492 502501035 /nfs/dbraw/zinc/50/10/35/502501035.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 1 3 360.546 3.071 20 0 FGADHO O[C@@H](C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519950 /nfs/dbraw/zinc/51/99/50/502519950.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 1 3 356.432 3.288 20 0 FGADHO O[C@@H](C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519952 /nfs/dbraw/zinc/51/99/52/502519952.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 1 3 356.432 3.288 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000473177154 502537004 /nfs/dbraw/zinc/53/70/04/502537004.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000473177154 502537007 /nfs/dbraw/zinc/53/70/07/502537007.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540813 /nfs/dbraw/zinc/54/08/13/502540813.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540819 /nfs/dbraw/zinc/54/08/19/502540819.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 1 3 364.578 3.157 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597143 /nfs/dbraw/zinc/59/71/43/502597143.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597149 /nfs/dbraw/zinc/59/71/49/502597149.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000476900162 502615437 /nfs/dbraw/zinc/61/54/37/502615437.db2.gz FRYNLBLVVWLQJK-UYAOXDASSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)CN1CCCCC1 ZINC000480705241 502648665 /nfs/dbraw/zinc/64/86/65/502648665.db2.gz QJKJDZVQIBDNOG-KCZVDYSFSA-N 1 3 359.558 3.160 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000488311647 502682209 /nfs/dbraw/zinc/68/22/09/502682209.db2.gz NJVQPUKCGOSXCN-GOSISDBHSA-N 1 3 354.922 3.134 20 0 FGADHO C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668298 502703039 /nfs/dbraw/zinc/70/30/39/502703039.db2.gz GHRADWNPXYQEDR-WIYYLYMNSA-N 1 3 368.525 3.109 20 0 FGADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000488403757 502704571 /nfs/dbraw/zinc/70/45/71/502704571.db2.gz DFPLKRXFNPROOC-IBGZPJMESA-N 1 3 359.558 3.096 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407429 502835626 /nfs/dbraw/zinc/83/56/26/502835626.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 1 3 355.526 3.189 20 0 FGADHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407429 502835630 /nfs/dbraw/zinc/83/56/30/502835630.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 1 3 355.526 3.189 20 0 FGADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058966 502870934 /nfs/dbraw/zinc/87/09/34/502870934.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 1 3 355.526 3.370 20 0 FGADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000489058966 502870938 /nfs/dbraw/zinc/87/09/38/502870938.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 1 3 355.526 3.370 20 0 FGADHO c1ccc(N2CCN(CCCN3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000509401348 502892634 /nfs/dbraw/zinc/89/26/34/502892634.db2.gz RZYRWUGNANFNKT-UHFFFAOYSA-N 1 3 370.585 3.149 20 0 FGADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006846 502910467 /nfs/dbraw/zinc/91/04/67/502910467.db2.gz ITAKBEJFKPKUDI-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000501006846 502910470 /nfs/dbraw/zinc/91/04/70/502910470.db2.gz ITAKBEJFKPKUDI-WOJBJXKFSA-N 1 3 353.595 3.318 20 0 FGADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019865 502913358 /nfs/dbraw/zinc/91/33/58/502913358.db2.gz AXRMYIQGPQKDNG-FDYSRKEFSA-N 1 3 372.557 3.313 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501132304 502945961 /nfs/dbraw/zinc/94/59/61/502945961.db2.gz RMFPJXWEIQZAQW-JOCHJYFZSA-N 1 3 359.558 3.421 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501132304 502945963 /nfs/dbraw/zinc/94/59/63/502945963.db2.gz RMFPJXWEIQZAQW-JOCHJYFZSA-N 1 3 359.558 3.421 20 0 FGADHO C[N@@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400852 502949934 /nfs/dbraw/zinc/94/99/34/502949934.db2.gz JTZLQWONDVPXKM-YADHBBJMSA-N 1 3 372.472 3.075 20 0 FGADHO C[N@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400852 502949936 /nfs/dbraw/zinc/94/99/36/502949936.db2.gz JTZLQWONDVPXKM-YADHBBJMSA-N 1 3 372.472 3.075 20 0 FGADHO CCC(CC)(CNC(=O)N1CCN2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000497442359 502960485 /nfs/dbraw/zinc/96/04/85/502960485.db2.gz MVCPUKIUCFMRJD-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1csc2ccccc12 ZINC000505760634 502980215 /nfs/dbraw/zinc/98/02/15/502980215.db2.gz VIOMMDVTHXRVMP-INIZCTEOSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1csc2ccccc12 ZINC000505760634 502980220 /nfs/dbraw/zinc/98/02/20/502980220.db2.gz VIOMMDVTHXRVMP-INIZCTEOSA-N 1 3 359.539 3.389 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000513613913 502980734 /nfs/dbraw/zinc/98/07/34/502980734.db2.gz UXXYXFZUJVTATP-FCHUYYIVSA-N 1 3 365.521 3.356 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995951 /nfs/dbraw/zinc/99/59/51/502995951.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995955 /nfs/dbraw/zinc/99/59/55/502995955.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000513690590 503001954 /nfs/dbraw/zinc/00/19/54/503001954.db2.gz KVSJRXCOWJONAZ-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000513690590 503001958 /nfs/dbraw/zinc/00/19/58/503001958.db2.gz KVSJRXCOWJONAZ-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000513690590 503001962 /nfs/dbraw/zinc/00/19/62/503001962.db2.gz KVSJRXCOWJONAZ-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)N1CCCC[C@H]1C ZINC000501519033 503028087 /nfs/dbraw/zinc/02/80/87/503028087.db2.gz UHDPIHCZUFFNRR-QZTJIDSGSA-N 1 3 352.567 3.203 20 0 FGADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489794125 503036365 /nfs/dbraw/zinc/03/63/65/503036365.db2.gz SHIYNOGLIPLBBS-NJDAHSKKSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916555 503047720 /nfs/dbraw/zinc/04/77/20/503047720.db2.gz JHPVSKURJJIJIO-QWFCFKBJSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916555 503047723 /nfs/dbraw/zinc/04/77/23/503047723.db2.gz JHPVSKURJJIJIO-QWFCFKBJSA-N 1 3 357.542 3.276 20 0 FGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501742149 503070116 /nfs/dbraw/zinc/07/01/16/503070116.db2.gz MLBCWUCJKFKYJN-KRWDZBQOSA-N 1 3 367.484 3.120 20 0 FGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501742149 503070118 /nfs/dbraw/zinc/07/01/18/503070118.db2.gz MLBCWUCJKFKYJN-KRWDZBQOSA-N 1 3 367.484 3.120 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000501786235 503079224 /nfs/dbraw/zinc/07/92/24/503079224.db2.gz UKYHNEPISCSWTO-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514100001 503088307 /nfs/dbraw/zinc/08/83/07/503088307.db2.gz SKBOSXXRPRDNAY-BHIFYINESA-N 1 3 360.542 3.320 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514133888 503095474 /nfs/dbraw/zinc/09/54/74/503095474.db2.gz DUTDSLFGRPKKTN-FPOVZHCZSA-N 1 3 374.573 3.409 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000514133888 503095476 /nfs/dbraw/zinc/09/54/76/503095476.db2.gz DUTDSLFGRPKKTN-FPOVZHCZSA-N 1 3 374.573 3.409 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170344 503124456 /nfs/dbraw/zinc/12/44/56/503124456.db2.gz CFRYWQWRMNCYKX-SFHVURJKSA-N 1 3 374.529 3.109 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502148794 503150322 /nfs/dbraw/zinc/15/03/22/503150322.db2.gz YCWHUTMIOJYENM-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502148793 503150401 /nfs/dbraw/zinc/15/04/01/503150401.db2.gz YCWHUTMIOJYENM-GGPKGHCWSA-N 1 3 360.546 3.242 20 0 FGADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000498379287 503173981 /nfs/dbraw/zinc/17/39/81/503173981.db2.gz YDHVWBBGBYHNJM-LJQANCHMSA-N 1 3 363.521 3.276 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000498412667 503182197 /nfs/dbraw/zinc/18/21/97/503182197.db2.gz IDNNNQYDXBWFBH-RXVVDRJESA-N 1 3 374.573 3.407 20 0 FGADHO Clc1ccc(CCCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000491140405 503279133 /nfs/dbraw/zinc/27/91/33/503279133.db2.gz UBNAAIKQUMJKOX-MRXNPFEDSA-N 1 3 356.341 3.296 20 0 FGADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000511224943 503282984 /nfs/dbraw/zinc/28/29/84/503282984.db2.gz WAVNVHIYHZXVOI-LJLZWOEMSA-N 1 3 358.526 3.327 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000502842851 503286616 /nfs/dbraw/zinc/28/66/16/503286616.db2.gz MFYLJUIHONPKNY-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000502842851 503286617 /nfs/dbraw/zinc/28/66/17/503286617.db2.gz MFYLJUIHONPKNY-ICSRJNTNSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311428 /nfs/dbraw/zinc/31/14/28/503311428.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311434 /nfs/dbraw/zinc/31/14/34/503311434.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 1 3 372.557 3.154 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H](O)C(F)(F)F ZINC000507510236 503311642 /nfs/dbraw/zinc/31/16/42/503311642.db2.gz MRMQYPRPESFUJT-DISONHOPSA-N 1 3 356.432 3.188 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038351 503331470 /nfs/dbraw/zinc/33/14/70/503331470.db2.gz KMACFHGLWBKHNO-MSOLQXFVSA-N 1 3 360.546 3.147 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000499093779 503332277 /nfs/dbraw/zinc/33/22/77/503332277.db2.gz MFNGLCRGLXBRIM-GNBUJSLZSA-N 1 3 360.546 3.158 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[N@H+](C)C1CC1 ZINC000511562917 503344169 /nfs/dbraw/zinc/34/41/69/503344169.db2.gz XFXRSVABDWITCM-FXAWDEMLSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[N@@H+](C)C1CC1 ZINC000511562917 503344174 /nfs/dbraw/zinc/34/41/74/503344174.db2.gz XFXRSVABDWITCM-FXAWDEMLSA-N 1 3 372.557 3.069 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000503093941 503344831 /nfs/dbraw/zinc/34/48/31/503344831.db2.gz ZSDJFZLYXKNKOR-CEWLAPEOSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000503093941 503344834 /nfs/dbraw/zinc/34/48/34/503344834.db2.gz ZSDJFZLYXKNKOR-CEWLAPEOSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C ZINC000503091111 503345315 /nfs/dbraw/zinc/34/53/15/503345315.db2.gz FGESTYAHWQBIHW-AZUAARDMSA-N 1 3 374.573 3.407 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109553 503348147 /nfs/dbraw/zinc/34/81/47/503348147.db2.gz JSKRRMXLOLLKEJ-DLBZAZTESA-N 1 3 364.534 3.130 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677200 503368035 /nfs/dbraw/zinc/36/80/35/503368035.db2.gz HWARWAYOFKBGHD-DYESRHJHSA-N 1 3 351.494 3.314 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N(C)C ZINC000493924142 503459832 /nfs/dbraw/zinc/45/98/32/503459832.db2.gz BFEXLBNCVSPKIJ-DYXWJJEUSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N(C)C ZINC000493924142 503459836 /nfs/dbraw/zinc/45/98/36/503459836.db2.gz BFEXLBNCVSPKIJ-DYXWJJEUSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C ZINC000508842184 503574979 /nfs/dbraw/zinc/57/49/79/503574979.db2.gz BLCRKSJWDAHLIT-IEBWSBKVSA-N 1 3 360.546 3.112 20 0 FGADHO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508850110 503577255 /nfs/dbraw/zinc/57/72/55/503577255.db2.gz DXPGHFDPLPFXDF-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N(C)C ZINC000508899186 503593904 /nfs/dbraw/zinc/59/39/04/503593904.db2.gz OAMCJBNROYZAHY-ZJOUEHCJSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601355 /nfs/dbraw/zinc/60/13/55/503601355.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 1 3 353.554 3.359 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653205 503604208 /nfs/dbraw/zinc/60/42/08/503604208.db2.gz DEORUCWNVZYMNV-GUDVDZBRSA-N 1 3 369.475 3.371 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653205 503604212 /nfs/dbraw/zinc/60/42/12/503604212.db2.gz DEORUCWNVZYMNV-GUDVDZBRSA-N 1 3 369.475 3.371 20 0 FGADHO CN(CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653205 503604216 /nfs/dbraw/zinc/60/42/16/503604216.db2.gz DEORUCWNVZYMNV-GUDVDZBRSA-N 1 3 369.475 3.371 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122868 503675138 /nfs/dbraw/zinc/67/51/38/503675138.db2.gz TVWFJJOFKDFMLT-AZUAARDMSA-N 1 3 357.542 3.450 20 0 FGADHO CC(C)[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000546592092 503800047 /nfs/dbraw/zinc/80/00/47/503800047.db2.gz OMVZOBAIRZLXDH-IFMALSPDSA-N 1 3 353.510 3.392 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[NH+]1CCCC1 ZINC000543645188 503839210 /nfs/dbraw/zinc/83/92/10/503839210.db2.gz ZINWNQJSCNBUFC-YLJYHZDGSA-N 1 3 366.594 3.259 20 0 FGADHO COc1cccc([C@H]2C[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2(C)C)c1 ZINC000530231712 503885070 /nfs/dbraw/zinc/88/50/70/503885070.db2.gz SUDYMVRAUKJDLD-FSSWDIPSSA-N 1 3 368.521 3.052 20 0 FGADHO COc1cccc([C@H]2C[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2(C)C)c1 ZINC000530231712 503885072 /nfs/dbraw/zinc/88/50/72/503885072.db2.gz SUDYMVRAUKJDLD-FSSWDIPSSA-N 1 3 368.521 3.052 20 0 FGADHO COc1cccc([C@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231712 503885074 /nfs/dbraw/zinc/88/50/74/503885074.db2.gz SUDYMVRAUKJDLD-FSSWDIPSSA-N 1 3 368.521 3.052 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518094716 503907746 /nfs/dbraw/zinc/90/77/46/503907746.db2.gz UQRZKPKPKHYAPS-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@]12CCCO2 ZINC000546870288 503909744 /nfs/dbraw/zinc/90/97/44/503909744.db2.gz FGYGTLRJLRUQMZ-PYYGYTMVSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@]12CCCO2 ZINC000546870288 503909749 /nfs/dbraw/zinc/90/97/49/503909749.db2.gz FGYGTLRJLRUQMZ-PYYGYTMVSA-N 1 3 370.537 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@]12CCCO2 ZINC000546870288 503909754 /nfs/dbraw/zinc/90/97/54/503909754.db2.gz FGYGTLRJLRUQMZ-PYYGYTMVSA-N 1 3 370.537 3.213 20 0 FGADHO CN(CCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccncc1 ZINC000540925684 503940837 /nfs/dbraw/zinc/94/08/37/503940837.db2.gz LNDNYQSHZYDSNK-UHFFFAOYSA-N 1 3 352.482 3.183 20 0 FGADHO CN(CCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1ccncc1 ZINC000540925684 503940845 /nfs/dbraw/zinc/94/08/45/503940845.db2.gz LNDNYQSHZYDSNK-UHFFFAOYSA-N 1 3 352.482 3.183 20 0 FGADHO CCC[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518443305 503986952 /nfs/dbraw/zinc/98/69/52/503986952.db2.gz IFZJTJODNZCGPJ-IBGZPJMESA-N 1 3 371.569 3.320 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)N(C)C)cc1 ZINC000518594343 504023443 /nfs/dbraw/zinc/02/34/43/504023443.db2.gz YQGPWHUJPVVLLC-GGPKGHCWSA-N 1 3 360.546 3.160 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937258 504089067 /nfs/dbraw/zinc/08/90/67/504089067.db2.gz DBQWDEVDCPUUPV-TYNCELHUSA-N 1 3 369.303 3.039 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000544358462 504102781 /nfs/dbraw/zinc/10/27/81/504102781.db2.gz IZWXTRRHMMXYHR-FQEVSTJZSA-N 1 3 367.493 3.233 20 0 FGADHO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000544370497 504105954 /nfs/dbraw/zinc/10/59/54/504105954.db2.gz FVHVDRAEOOPVHT-NQIIRXRSSA-N 1 3 357.542 3.428 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021661 504117360 /nfs/dbraw/zinc/11/73/60/504117360.db2.gz UIBCDEWFCNCQDI-SMKXDYDZSA-N 1 3 369.431 3.129 20 0 FGADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904940 504125233 /nfs/dbraw/zinc/12/52/33/504125233.db2.gz SROVAUUZNOTIST-BEFAXECRSA-N 1 3 354.922 3.195 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555688 504172505 /nfs/dbraw/zinc/17/25/05/504172505.db2.gz JQWZYZFIDOAEHR-UGKGYDQZSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555688 504172507 /nfs/dbraw/zinc/17/25/07/504172507.db2.gz JQWZYZFIDOAEHR-UGKGYDQZSA-N 1 3 371.569 3.178 20 0 FGADHO Cc1ccc(-c2noc(CCCN3CCC(C[NH+](C)C)CC3)n2)cc1F ZINC000531103838 504190484 /nfs/dbraw/zinc/19/04/84/504190484.db2.gz GJVDEUJCYNNGTM-UHFFFAOYSA-N 1 3 360.477 3.390 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000541591209 504191152 /nfs/dbraw/zinc/19/11/52/504191152.db2.gz UWRVUIQVDDZFNC-SFHVURJKSA-N 1 3 368.949 3.440 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000541591209 504191157 /nfs/dbraw/zinc/19/11/57/504191157.db2.gz UWRVUIQVDDZFNC-SFHVURJKSA-N 1 3 368.949 3.440 20 0 FGADHO Cc1ccc(OCCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000541662051 504213805 /nfs/dbraw/zinc/21/38/05/504213805.db2.gz HUZXTCFSXXLGCM-UHFFFAOYSA-N 1 3 373.585 3.422 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000534721169 504223908 /nfs/dbraw/zinc/22/39/08/504223908.db2.gz KRGBQOZHLIZBFS-RTWAWAEBSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000541813183 504262339 /nfs/dbraw/zinc/26/23/39/504262339.db2.gz RTMILKMVBXWXRJ-KRWDZBQOSA-N 1 3 364.578 3.155 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000531391890 504290489 /nfs/dbraw/zinc/29/04/89/504290489.db2.gz ZBBZXNIPAJUSEI-CABCVRRESA-N 1 3 360.454 3.190 20 0 FGADHO CC1(C)[C@@H](c2ccc(F)cc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740619 504360373 /nfs/dbraw/zinc/36/03/73/504360373.db2.gz BYSQSCUTEOFSLW-HXUWFJFHSA-N 1 3 373.516 3.137 20 0 FGADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680477 504391205 /nfs/dbraw/zinc/39/12/05/504391205.db2.gz AMOYMCGQXCDKRE-CQSZACIVSA-N 1 3 370.335 3.488 20 0 FGADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000531680477 504391208 /nfs/dbraw/zinc/39/12/08/504391208.db2.gz AMOYMCGQXCDKRE-CQSZACIVSA-N 1 3 370.335 3.488 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683193 504392109 /nfs/dbraw/zinc/39/21/09/504392109.db2.gz WANKWGBWJUCROO-FQEVSTJZSA-N 1 3 359.558 3.260 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccsc1 ZINC000520554637 504526950 /nfs/dbraw/zinc/52/69/50/504526950.db2.gz IUJDTDHEPFQIFC-SFHVURJKSA-N 1 3 366.575 3.305 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccsc1 ZINC000520554637 504526957 /nfs/dbraw/zinc/52/69/57/504526957.db2.gz IUJDTDHEPFQIFC-SFHVURJKSA-N 1 3 366.575 3.305 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542677456 504573778 /nfs/dbraw/zinc/57/37/78/504573778.db2.gz ITWSHRAGOLIFKR-LJQANCHMSA-N 1 3 363.933 3.250 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000539602725 504622384 /nfs/dbraw/zinc/62/23/84/504622384.db2.gz PSGJAMXDUBUWEK-FQEVSTJZSA-N 1 3 360.546 3.197 20 0 FGADHO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(OCCN(C)C)cc1 ZINC000532476494 504663393 /nfs/dbraw/zinc/66/33/93/504663393.db2.gz GYHGTTPSPPKKJK-KRWDZBQOSA-N 1 3 352.482 3.328 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000539852509 504717779 /nfs/dbraw/zinc/71/77/79/504717779.db2.gz TVPVKAYHTHSVPZ-FPOVZHCZSA-N 1 3 357.542 3.077 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000539852509 504717781 /nfs/dbraw/zinc/71/77/81/504717781.db2.gz TVPVKAYHTHSVPZ-FPOVZHCZSA-N 1 3 357.542 3.077 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000532838155 504765043 /nfs/dbraw/zinc/76/50/43/504765043.db2.gz DCPYAQFBAGCDLW-MOPGFXCFSA-N 1 3 360.546 3.069 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765911 /nfs/dbraw/zinc/76/59/11/504765911.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765914 /nfs/dbraw/zinc/76/59/14/504765914.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 1 3 364.578 3.013 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116549 504785540 /nfs/dbraw/zinc/78/55/40/504785540.db2.gz WQAKKSHCFKTKKY-YLJYHZDGSA-N 1 3 370.493 3.008 20 0 FGADHO OC[C@H](Cc1ccc(F)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000552920869 504787747 /nfs/dbraw/zinc/78/77/47/504787747.db2.gz OFERUPDOZCRIPY-QFIPXVFZSA-N 1 3 356.485 3.026 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076799 504791056 /nfs/dbraw/zinc/79/10/56/504791056.db2.gz RKVKDQYKUCENBD-HOTGVXAUSA-N 1 3 357.473 3.217 20 0 FGADHO C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076799 504791058 /nfs/dbraw/zinc/79/10/58/504791058.db2.gz RKVKDQYKUCENBD-HOTGVXAUSA-N 1 3 357.473 3.217 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000562750315 504932557 /nfs/dbraw/zinc/93/25/57/504932557.db2.gz GNTIUXVSYOCFAR-NHCUHLMSSA-N 1 3 372.488 3.038 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652271 504949597 /nfs/dbraw/zinc/94/95/97/504949597.db2.gz DKCKBMVHJAZSPQ-KGLIPLIRSA-N 1 3 361.313 3.055 20 0 FGADHO CC[C@H](CC(F)(F)F)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565786027 504986903 /nfs/dbraw/zinc/98/69/03/504986903.db2.gz YULUOQFKIUPTOA-OAHLLOKOSA-N 1 3 363.468 3.030 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1 ZINC000553708647 504988564 /nfs/dbraw/zinc/98/85/64/504988564.db2.gz XLDFRHPHDBLCFJ-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000556832978 504989031 /nfs/dbraw/zinc/98/90/31/504989031.db2.gz NYUSEJZVEBFLCZ-KZNAEPCWSA-N 1 3 366.509 3.145 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963556 505032783 /nfs/dbraw/zinc/03/27/83/505032783.db2.gz PRTJBVYOZCBTHY-AZUAARDMSA-N 1 3 362.514 3.201 20 0 FGADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000566057140 505067611 /nfs/dbraw/zinc/06/76/11/505067611.db2.gz PUJPXMFWQGZRIO-IBGZPJMESA-N 1 3 355.482 3.388 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2ccncc2F)CC1 ZINC000550621065 505074443 /nfs/dbraw/zinc/07/44/43/505074443.db2.gz AZFFHXAUBZDQGR-KRWDZBQOSA-N 1 3 356.489 3.209 20 0 FGADHO COc1cc([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)c(F)cn1 ZINC000554071150 505080823 /nfs/dbraw/zinc/08/08/23/505080823.db2.gz HFACENLIWLKDOH-HNNXBMFYSA-N 1 3 361.461 3.063 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244453 505121467 /nfs/dbraw/zinc/12/14/67/505121467.db2.gz UXXUSAXJGKEFRT-XYJFISCASA-N 1 3 358.461 3.176 20 0 FGADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244451 505121715 /nfs/dbraw/zinc/12/17/15/505121715.db2.gz UXXUSAXJGKEFRT-JZXOWHBKSA-N 1 3 358.461 3.176 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000557436011 505134603 /nfs/dbraw/zinc/13/46/03/505134603.db2.gz WFAXRUZWVOFKPQ-QFIPXVFZSA-N 1 3 365.521 3.358 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C(C)C)[C@@H]3C(C)C)CC2)CC1 ZINC000563409795 505135191 /nfs/dbraw/zinc/13/51/91/505135191.db2.gz SAAXCDBRBMHOFM-SFTDATJTSA-N 1 3 363.590 3.322 20 0 FGADHO CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551265432 505188247 /nfs/dbraw/zinc/18/82/47/505188247.db2.gz VKWODOHPQOZXKD-PMACEKPBSA-N 1 3 358.526 3.072 20 0 FGADHO O=C(N[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667924 505205425 /nfs/dbraw/zinc/20/54/25/505205425.db2.gz XPUVHELGCLNZPH-AEFFLSMTSA-N 1 3 355.482 3.017 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3occc3c2)CC1 ZINC000554875714 505287265 /nfs/dbraw/zinc/28/72/65/505287265.db2.gz OBKDBYUBWZGGDV-UHFFFAOYSA-N 1 3 371.525 3.493 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)C1CCN(C)CC1 ZINC000551813595 505317084 /nfs/dbraw/zinc/31/70/84/505317084.db2.gz NFTPSWNGVJEREW-VXKWHMMOSA-N 1 3 357.542 3.360 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)C1CCN(C)CC1 ZINC000551813595 505317088 /nfs/dbraw/zinc/31/70/88/505317088.db2.gz NFTPSWNGVJEREW-VXKWHMMOSA-N 1 3 357.542 3.360 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561426530 505341542 /nfs/dbraw/zinc/34/15/42/505341542.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 1 3 361.505 3.028 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561426530 505341545 /nfs/dbraw/zinc/34/15/45/505341545.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 1 3 361.505 3.028 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccco1 ZINC000558376996 505370583 /nfs/dbraw/zinc/37/05/83/505370583.db2.gz HADYWYSWFOILLD-VQIMIIECSA-N 1 3 372.513 3.270 20 0 FGADHO Clc1cccc([C@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839760 505535129 /nfs/dbraw/zinc/53/51/29/505535129.db2.gz BPOSWFSJOQCPFR-RDJZCZTQSA-N 1 3 359.905 3.351 20 0 FGADHO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000608061218 506402856 /nfs/dbraw/zinc/40/28/56/506402856.db2.gz HENCYMBJRDEGAW-FUHWJXTLSA-N 1 3 355.482 3.242 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000582838287 506448820 /nfs/dbraw/zinc/44/88/20/506448820.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000582838287 506448828 /nfs/dbraw/zinc/44/88/28/506448828.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000603307830 506482027 /nfs/dbraw/zinc/48/20/27/506482027.db2.gz XMFOIRASVAGERK-QZTJIDSGSA-N 1 3 361.530 3.010 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000603307828 506482520 /nfs/dbraw/zinc/48/25/20/506482520.db2.gz XMFOIRASVAGERK-MSOLQXFVSA-N 1 3 361.530 3.010 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000582915517 506487079 /nfs/dbraw/zinc/48/70/79/506487079.db2.gz PEKSIPAGNOZBQL-UHFFFAOYSA-N 1 3 351.494 3.174 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635037 506641671 /nfs/dbraw/zinc/64/16/71/506641671.db2.gz ZZYCTQXTQLFNIV-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635037 506641680 /nfs/dbraw/zinc/64/16/80/506641680.db2.gz ZZYCTQXTQLFNIV-SVFBPWRDSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282328 506694503 /nfs/dbraw/zinc/69/45/03/506694503.db2.gz WRYMIYYUQYOJRH-MISYRCLQSA-N 1 3 368.500 3.442 20 0 FGADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282328 506694507 /nfs/dbraw/zinc/69/45/07/506694507.db2.gz WRYMIYYUQYOJRH-MISYRCLQSA-N 1 3 368.500 3.442 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179909 506739623 /nfs/dbraw/zinc/73/96/23/506739623.db2.gz WNRQPIUSSRDSGZ-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179909 506739624 /nfs/dbraw/zinc/73/96/24/506739624.db2.gz WNRQPIUSSRDSGZ-CTNGQTDRSA-N 1 3 372.557 3.245 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786499 506955774 /nfs/dbraw/zinc/95/57/74/506955774.db2.gz CNIRQQURZQGCMG-SFHVURJKSA-N 1 3 354.922 3.132 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786499 506955781 /nfs/dbraw/zinc/95/57/81/506955781.db2.gz CNIRQQURZQGCMG-SFHVURJKSA-N 1 3 354.922 3.132 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863986 506967660 /nfs/dbraw/zinc/96/76/60/506967660.db2.gz RBXKLRHVNJVNTJ-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863986 506967667 /nfs/dbraw/zinc/96/76/67/506967667.db2.gz RBXKLRHVNJVNTJ-GOSISDBHSA-N 1 3 370.541 3.273 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921542 507052844 /nfs/dbraw/zinc/05/28/44/507052844.db2.gz JGXHGTDWHFBBKQ-UWJYYQICSA-N 1 3 372.557 3.326 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921542 507052846 /nfs/dbraw/zinc/05/28/46/507052846.db2.gz JGXHGTDWHFBBKQ-UWJYYQICSA-N 1 3 372.557 3.326 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000600711393 507076847 /nfs/dbraw/zinc/07/68/47/507076847.db2.gz STIUXEZXAGHMNQ-ZDUSSCGKSA-N 1 3 364.873 3.497 20 0 FGADHO CC(C)(C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000584048847 507123521 /nfs/dbraw/zinc/12/35/21/507123521.db2.gz LKBJECHAZMPGMR-QGZVFWFLSA-N 1 3 358.448 3.320 20 0 FGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1I ZINC000591579393 507301006 /nfs/dbraw/zinc/30/10/06/507301006.db2.gz XJRYJAXLFPVDRQ-FZMZJTMJSA-N 1 3 356.251 3.084 20 0 FGADHO CN1CC=C(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595025364 507358833 /nfs/dbraw/zinc/35/88/33/507358833.db2.gz GUYRBDWKLCDNQU-INIZCTEOSA-N 1 3 368.262 3.130 20 0 FGADHO CCOC(=O)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000595069858 507377274 /nfs/dbraw/zinc/37/72/74/507377274.db2.gz SNDMPHDBQZPHDV-UHFFFAOYSA-N 1 3 359.514 3.005 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c(C)c2)CC1 ZINC000584527549 507395518 /nfs/dbraw/zinc/39/55/18/507395518.db2.gz RUOIZBISPWODND-IBGZPJMESA-N 1 3 360.546 3.100 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(C/C=C\c2ccccc2)CC1 ZINC000606539559 507438369 /nfs/dbraw/zinc/43/83/69/507438369.db2.gz LKJAQSLAOCPMFI-WQLSENKSSA-N 1 3 357.542 3.260 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666934 507475438 /nfs/dbraw/zinc/47/54/38/507475438.db2.gz VQAQAPOTVQKYSS-FPOVZHCZSA-N 1 3 374.573 3.411 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666934 507475441 /nfs/dbraw/zinc/47/54/41/507475441.db2.gz VQAQAPOTVQKYSS-FPOVZHCZSA-N 1 3 374.573 3.411 20 0 FGADHO CC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000584738428 507476817 /nfs/dbraw/zinc/47/68/17/507476817.db2.gz IKHFIOFZLFBGBH-LJQANCHMSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865919 507548274 /nfs/dbraw/zinc/54/82/74/507548274.db2.gz LJAHUADIJKPDSH-FQEVSTJZSA-N 1 3 373.520 3.064 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865919 507548281 /nfs/dbraw/zinc/54/82/81/507548281.db2.gz LJAHUADIJKPDSH-FQEVSTJZSA-N 1 3 373.520 3.064 20 0 FGADHO CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000592393455 507635256 /nfs/dbraw/zinc/63/52/56/507635256.db2.gz ATGQUQUSOURJCA-PIKADFDJSA-N 1 3 352.544 3.187 20 0 FGADHO CCc1ccc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000607227659 507659106 /nfs/dbraw/zinc/65/91/06/507659106.db2.gz ZPHRJYYVEKJZME-FQEVSTJZSA-N 1 3 362.562 3.081 20 0 FGADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000607228450 507661357 /nfs/dbraw/zinc/66/13/57/507661357.db2.gz PUORBTJKDSEHEN-GOSISDBHSA-N 1 3 368.953 3.172 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870890 568396185 /nfs/dbraw/zinc/39/61/85/568396185.db2.gz OUGSNHQYRHYREB-KAOXLYBCSA-N 1 3 371.569 3.178 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139749 568448261 /nfs/dbraw/zinc/44/82/61/568448261.db2.gz OCGCFYJKTHSASV-IRXDYDNUSA-N 1 3 364.534 3.225 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820703720 606914902 /nfs/dbraw/zinc/91/49/02/606914902.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820703720 606914903 /nfs/dbraw/zinc/91/49/03/606914903.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820703720 606914904 /nfs/dbraw/zinc/91/49/04/606914904.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820703720 606914905 /nfs/dbraw/zinc/91/49/05/606914905.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 1 3 368.529 3.343 20 0 FGADHO OC1CC[NH+](CCCN[C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092740568 700440918 /nfs/dbraw/zinc/44/09/18/700440918.db2.gz DHGIPRBVLBDAPT-GOSISDBHSA-N 1 3 367.331 3.263 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727747 705089014 /nfs/dbraw/zinc/08/90/14/705089014.db2.gz ANFNZZJMHBVUMM-WMLDXEAASA-N 1 3 353.963 3.493 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 ZINC000157940479 705167864 /nfs/dbraw/zinc/16/78/64/705167864.db2.gz MHWGMGITLRBXKQ-QGZVFWFLSA-N 1 3 351.922 3.391 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000190204156 712808508 /nfs/dbraw/zinc/80/85/08/712808508.db2.gz HWLNBFJVUSEXLH-HXUWFJFHSA-N 1 3 350.547 3.364 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000190204134 712808540 /nfs/dbraw/zinc/80/85/40/712808540.db2.gz HWLNBFJVUSEXLH-FQEVSTJZSA-N 1 3 350.547 3.364 20 0 FGADHO C[C@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000195191835 713548835 /nfs/dbraw/zinc/54/88/35/713548835.db2.gz VSANCCDWPKZAOJ-YLJYHZDGSA-N 1 3 353.551 3.345 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201380 713549209 /nfs/dbraw/zinc/54/92/09/713549209.db2.gz MFQBKHOAIGVYSE-XLIONFOSSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@H](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000195222974 713549764 /nfs/dbraw/zinc/54/97/64/713549764.db2.gz MUSXACNUDQTWAL-XLIONFOSSA-N 1 3 353.551 3.488 20 0 FGADHO CN1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377010 715320960 /nfs/dbraw/zinc/32/09/60/715320960.db2.gz KWSNLOYXJJOXKX-GFCCVEGCSA-N 1 3 355.276 3.140 20 0 FGADHO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CN(C)C ZINC000623529984 715355033 /nfs/dbraw/zinc/35/50/33/715355033.db2.gz IBUWHYNSSDWFAW-JTQLQIEISA-N 1 3 357.321 3.188 20 0 FGADHO CN(CCCC[NH+]1CCCCC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000640533143 717761016 /nfs/dbraw/zinc/76/10/16/717761016.db2.gz NIXKQDZTDZZICE-UHFFFAOYSA-N 1 3 362.905 3.046 20 0 FGADHO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000644770919 718152537 /nfs/dbraw/zinc/15/25/37/718152537.db2.gz ZQKYSEOYWSQQEY-CXAGYDPISA-N 1 3 367.331 3.119 20 0 FGADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976290 718391311 /nfs/dbraw/zinc/39/13/11/718391311.db2.gz MOTVEDLHFCAIAU-CABCVRRESA-N 1 3 369.962 3.072 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722815 718720440 /nfs/dbraw/zinc/72/04/40/718720440.db2.gz BTPRSTYSBYDQJM-UKPHBRMFSA-N 1 3 358.404 3.288 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000653138208 719016218 /nfs/dbraw/zinc/01/62/18/719016218.db2.gz NVWJLSMZMQVPCB-AAEUAGOBSA-N 1 3 360.351 3.158 20 0 FGADHO CN(Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619202 719048390 /nfs/dbraw/zinc/04/83/90/719048390.db2.gz BZSKMEWJJNDLGQ-JTHBVZDNSA-N 1 3 362.521 3.259 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000654971755 719251704 /nfs/dbraw/zinc/25/17/04/719251704.db2.gz PIWAOOADHHVFMY-UHFFFAOYSA-N 1 3 362.543 3.155 20 0 FGADHO Cc1c(Br)cncc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000657368064 719634726 /nfs/dbraw/zinc/63/47/26/719634726.db2.gz UDZMLPCRLHZLFQ-OKILXGFUSA-N 1 3 370.335 3.132 20 0 FGADHO FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978941 719967350 /nfs/dbraw/zinc/96/73/50/719967350.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 1 3 350.453 3.399 20 0 FGADHO FC1(F)C[C@H]1OCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000659978941 719967352 /nfs/dbraw/zinc/96/73/52/719967352.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 1 3 350.453 3.399 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092791 /nfs/dbraw/zinc/09/27/91/720092791.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 1 3 353.304 3.246 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092797 /nfs/dbraw/zinc/09/27/97/720092797.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 1 3 353.304 3.246 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662356736 720418149 /nfs/dbraw/zinc/41/81/49/720418149.db2.gz VKYFXZIFDBIEDE-UHFFFAOYSA-N 1 3 357.523 3.166 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662444525 720429430 /nfs/dbraw/zinc/42/94/30/720429430.db2.gz JXVIKSDVJITVME-AWEZNQCLSA-N 1 3 357.523 3.253 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)[C@H]1c1cccs1 ZINC000662474068 720432117 /nfs/dbraw/zinc/43/21/17/720432117.db2.gz RYWNGVVWLARIPY-BEFAXECRSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2CNC3)[C@H]1c1cccs1 ZINC000662474068 720432122 /nfs/dbraw/zinc/43/21/22/720432122.db2.gz RYWNGVVWLARIPY-BEFAXECRSA-N 1 3 355.507 3.164 20 0 FGADHO O=C(c1cc2c(s1)CCNC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000662507428 720436294 /nfs/dbraw/zinc/43/62/94/720436294.db2.gz MZHCMYXPBMUASI-UHFFFAOYSA-N 1 3 361.555 3.122 20 0 FGADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663451460 720516290 /nfs/dbraw/zinc/51/62/90/720516290.db2.gz ROINEKKUYBCIMN-SJORKVTESA-N 1 3 364.559 3.011 20 0 FGADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663451460 720516291 /nfs/dbraw/zinc/51/62/91/720516291.db2.gz ROINEKKUYBCIMN-SJORKVTESA-N 1 3 364.559 3.011 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000666770350 720976045 /nfs/dbraw/zinc/97/60/45/720976045.db2.gz VVZSUFLZRQELRP-QGZVFWFLSA-N 1 3 366.347 3.145 20 0 FGADHO Brc1ccccc1CN1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770350 720976047 /nfs/dbraw/zinc/97/60/47/720976047.db2.gz VVZSUFLZRQELRP-QGZVFWFLSA-N 1 3 366.347 3.145 20 0 FGADHO FC(F)Oc1c(Br)cccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953755 721004848 /nfs/dbraw/zinc/00/48/48/721004848.db2.gz GZTXBRMXXFWIJA-GFCCVEGCSA-N 1 3 361.230 3.282 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000667040457 721017792 /nfs/dbraw/zinc/01/77/92/721017792.db2.gz OIOBALOIDYGRJZ-SFHVURJKSA-N 1 3 353.495 3.302 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000667040457 721017795 /nfs/dbraw/zinc/01/77/95/721017795.db2.gz OIOBALOIDYGRJZ-SFHVURJKSA-N 1 3 353.495 3.302 20 0 FGADHO C[C@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000796265280 723629300 /nfs/dbraw/zinc/62/93/00/723629300.db2.gz GNOBFBISXFDKQV-WWDZGPRUSA-N 1 3 353.551 3.391 20 0 FGADHO CC(C)(C)OC(=O)N1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000798272755 723920311 /nfs/dbraw/zinc/92/03/11/723920311.db2.gz DPHQOBUSLMLROH-UHFFFAOYSA-N 1 3 351.535 3.240 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115595 725289665 /nfs/dbraw/zinc/28/96/65/725289665.db2.gz LCANAGMLYKYQDB-QFBILLFUSA-N 1 3 369.550 3.460 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115595 725289667 /nfs/dbraw/zinc/28/96/67/725289667.db2.gz LCANAGMLYKYQDB-QFBILLFUSA-N 1 3 369.550 3.460 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165009 725294127 /nfs/dbraw/zinc/29/41/27/725294127.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 1 3 353.526 3.063 20 0 FGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810165009 725294129 /nfs/dbraw/zinc/29/41/29/725294129.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 1 3 353.526 3.063 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507343 725370675 /nfs/dbraw/zinc/37/06/75/725370675.db2.gz YXPLNYLXCQPSAX-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)C[C@H](CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507343 725370677 /nfs/dbraw/zinc/37/06/77/725370677.db2.gz YXPLNYLXCQPSAX-KZNAEPCWSA-N 1 3 353.551 3.342 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717853 726806102 /nfs/dbraw/zinc/80/61/02/726806102.db2.gz LVIPJMJRTLYSHG-KSZLIROESA-N 1 3 353.551 3.344 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045116 /nfs/dbraw/zinc/04/51/16/727045116.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 1 3 356.432 3.027 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045117 /nfs/dbraw/zinc/04/51/17/727045117.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 1 3 356.432 3.027 20 0 FGADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286855 727236235 /nfs/dbraw/zinc/23/62/35/727236235.db2.gz NFQUVPYNZYSQCY-QGZVFWFLSA-N 1 3 351.535 3.336 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819133367 727350886 /nfs/dbraw/zinc/35/08/86/727350886.db2.gz OWTYGIPPRQHRKG-MCIONIFRSA-N 1 3 361.313 3.196 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCC2)CC1)c1ccccc1Br ZINC000819355250 727370662 /nfs/dbraw/zinc/37/06/62/727370662.db2.gz PPXIIJXEOKNESI-QGZVFWFLSA-N 1 3 353.304 3.089 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825343001 729379553 /nfs/dbraw/zinc/37/95/53/729379553.db2.gz HHDWAYLNLTVXPL-KRWDZBQOSA-N 1 3 355.320 3.193 20 0 FGADHO CCCN1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834353107 729795801 /nfs/dbraw/zinc/79/58/01/729795801.db2.gz CCSAYEVNRNFXDW-QGZVFWFLSA-N 1 3 373.310 3.260 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566643 729815086 /nfs/dbraw/zinc/81/50/86/729815086.db2.gz PTLVZAFTUVTONT-SQNIBIBYSA-N 1 3 353.551 3.484 20 0 FGADHO NC[C@H]([NH2+]CC(=O)Nc1ccccc1SC(F)F)C1CCCCC1 ZINC000842476041 730507154 /nfs/dbraw/zinc/50/71/54/730507154.db2.gz FDIJBSLTRILOIJ-AWEZNQCLSA-N 1 3 357.470 3.437 20 0 FGADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000846665421 730971976 /nfs/dbraw/zinc/97/19/76/730971976.db2.gz KCBYIBICIGGENI-LSDHHAIUSA-N 1 3 356.388 3.172 20 0 FGADHO [NH2+]=C(NCC1(C(F)(F)F)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849052573 731224745 /nfs/dbraw/zinc/22/47/45/731224745.db2.gz MXSCBKPJVHPHEL-UHFFFAOYSA-N 1 3 354.420 3.107 20 0 FGADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849114630 731230607 /nfs/dbraw/zinc/23/06/07/731230607.db2.gz OMEMCCIZFXQXJV-KRWDZBQOSA-N 1 3 369.340 3.349 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040911 /nfs/dbraw/zinc/04/09/11/732040911.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 1 3 360.527 3.074 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040916 /nfs/dbraw/zinc/04/09/16/732040916.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 1 3 360.527 3.074 20 0 FGADHO CN1CCCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245275 732196359 /nfs/dbraw/zinc/19/63/59/732196359.db2.gz GANJOVQTHCVLPI-LXPRWKDFSA-N 1 3 353.551 3.391 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)nn1 ZINC000873247348 735743359 /nfs/dbraw/zinc/74/33/59/735743359.db2.gz LIGJKFPNEWZWCJ-LJQANCHMSA-N 1 3 353.857 3.157 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3ccc(Cl)nn3)CC2)cc1 ZINC000876989906 736171426 /nfs/dbraw/zinc/17/14/26/736171426.db2.gz KBFBGXYUJLSKCP-UHFFFAOYSA-N 1 3 360.889 3.140 20 0 FGADHO C[C@H](CN1CCC2(CC1)CC[NH+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000877684724 736704459 /nfs/dbraw/zinc/70/44/59/736704459.db2.gz UUZMVWFOWCLSPX-QGZVFWFLSA-N 1 3 364.555 3.001 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000883361321 737558235 /nfs/dbraw/zinc/55/82/35/737558235.db2.gz ZQBXVYRYPBEVQE-CFVMTHIKSA-N 1 3 366.374 3.045 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C[C@H]1C(F)(F)F ZINC000892622443 740024446 /nfs/dbraw/zinc/02/44/46/740024446.db2.gz PZZRVGGRVDMLST-CAOSSQGBSA-N 1 3 364.452 3.218 20 0 FGADHO [NH3+]CCCC[C@@H](NCCC(=O)N1CCCCC1)c1ccc(F)cc1F ZINC000902315808 743731021 /nfs/dbraw/zinc/73/10/21/743731021.db2.gz NHSACPLEJROKMZ-GOSISDBHSA-N 1 3 353.457 3.127 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345539 743734811 /nfs/dbraw/zinc/73/48/11/743734811.db2.gz DAQGXHAPWNKLRW-DAYGRLMNSA-N 1 3 374.497 3.080 20 0 FGADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956953 743905267 /nfs/dbraw/zinc/90/52/67/743905267.db2.gz NYFAJTNCAADUCO-PWSUYJOCSA-N 1 3 365.237 3.354 20 0 FGADHO CCN(CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126712 757884022 /nfs/dbraw/zinc/88/40/22/757884022.db2.gz LLKHGRBEYYEXJH-IRXDYDNUSA-N 1 3 368.616 3.079 20 0 FGADHO CCN(CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126712 757884038 /nfs/dbraw/zinc/88/40/38/757884038.db2.gz LLKHGRBEYYEXJH-IRXDYDNUSA-N 1 3 368.616 3.079 20 0 FGADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923489152 759130866 /nfs/dbraw/zinc/13/08/66/759130866.db2.gz CEXJQFOSJHDXQY-SUMWQHHRSA-N 1 3 370.324 3.328 20 0 FGADHO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000924993655 759428887 /nfs/dbraw/zinc/42/88/87/759428887.db2.gz QNPPXAOIHHAGJN-MAUKXSAKSA-N 1 3 363.933 3.199 20 0 FGADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)Oc1ccccc1F ZINC000925217326 759463686 /nfs/dbraw/zinc/46/36/86/759463686.db2.gz XYQWNHXBDNITHW-FBVQUNGASA-N 1 3 350.478 3.215 20 0 FGADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1F ZINC000925217326 759463695 /nfs/dbraw/zinc/46/36/95/759463695.db2.gz XYQWNHXBDNITHW-FBVQUNGASA-N 1 3 350.478 3.215 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000927157828 759909121 /nfs/dbraw/zinc/90/91/21/759909121.db2.gz XVEVXEBVZMDAAM-QZTJIDSGSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171353 765865973 /nfs/dbraw/zinc/86/59/73/765865973.db2.gz YNMGUDORHUDRDU-HCZIRCDUSA-N 1 3 367.896 3.117 20 0 FGADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171353 765865983 /nfs/dbraw/zinc/86/59/83/765865983.db2.gz YNMGUDORHUDRDU-HCZIRCDUSA-N 1 3 367.896 3.117 20 0 FGADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053736 /nfs/dbraw/zinc/05/37/36/766053736.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 1 3 363.571 3.176 20 0 FGADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053743 /nfs/dbraw/zinc/05/37/43/766053743.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 1 3 363.571 3.176 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044379 221399024 /nfs/dbraw/zinc/39/90/24/221399024.db2.gz YXGXLTCGEJTIIL-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO [NH3+][C@@H](CCC(=O)NC1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000573602671 505576279 /nfs/dbraw/zinc/57/62/79/505576279.db2.gz SQFYMVKSHAQSOC-QFIPXVFZSA-N 1 3 365.521 3.290 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865176 505612562 /nfs/dbraw/zinc/61/25/62/505612562.db2.gz ZTHVYZMESKQJDF-FQEVSTJZSA-N 1 3 356.514 3.190 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865176 505612565 /nfs/dbraw/zinc/61/25/65/505612565.db2.gz ZTHVYZMESKQJDF-FQEVSTJZSA-N 1 3 356.514 3.190 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)c(C)c2)CC1 ZINC000573910788 505649391 /nfs/dbraw/zinc/64/93/91/505649391.db2.gz YHNJRGRELJQYLC-FQEVSTJZSA-N 1 3 372.557 3.373 20 0 FGADHO CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571102278 505653711 /nfs/dbraw/zinc/65/37/11/505653711.db2.gz JTESURPBZQQQSK-OAQYLSRUSA-N 1 3 371.569 3.320 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000571146816 505664876 /nfs/dbraw/zinc/66/48/76/505664876.db2.gz NWAIMKDRKQUVIA-WOJBJXKFSA-N 1 3 354.498 3.103 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000047978708 493769148 /nfs/dbraw/zinc/76/91/48/493769148.db2.gz KVLPSTCWVBSMPJ-UHFFFAOYSA-N 1 3 372.557 3.202 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381578 505680581 /nfs/dbraw/zinc/68/05/81/505680581.db2.gz RANBQLFCHZHKNP-DLBZAZTESA-N 1 3 362.514 3.446 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263329 493839922 /nfs/dbraw/zinc/83/99/22/493839922.db2.gz AAZWARBZBGMKRJ-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331190 493866387 /nfs/dbraw/zinc/86/63/87/493866387.db2.gz IGRYYDOGJFVIII-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331190 493866390 /nfs/dbraw/zinc/86/63/90/493866390.db2.gz IGRYYDOGJFVIII-INIZCTEOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332013 493866880 /nfs/dbraw/zinc/86/68/80/493866880.db2.gz QMIXJWDWEQQBAX-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332013 493866882 /nfs/dbraw/zinc/86/68/82/493866882.db2.gz QMIXJWDWEQQBAX-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332347 493867489 /nfs/dbraw/zinc/86/74/89/493867489.db2.gz JRJZXLMJZSEFDG-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332347 493867493 /nfs/dbraw/zinc/86/74/93/493867493.db2.gz JRJZXLMJZSEFDG-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1)C1CC1 ZINC000081334323 493873770 /nfs/dbraw/zinc/87/37/70/493873770.db2.gz XAKCSERCLDAMSQ-IBGZPJMESA-N 1 3 357.542 3.475 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000061020907 493962515 /nfs/dbraw/zinc/96/25/15/493962515.db2.gz YDTZISVUIBBYDC-FQEVSTJZSA-N 1 3 372.557 3.215 20 0 FGADHO CCC1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051761528 493986403 /nfs/dbraw/zinc/98/64/03/493986403.db2.gz WTGVTERLVSUNPW-UHFFFAOYSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077412710 494078081 /nfs/dbraw/zinc/07/80/81/494078081.db2.gz TZFSBDBHBWOLOI-OAQYLSRUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(I)cc1 ZINC000037229459 494102889 /nfs/dbraw/zinc/10/28/89/494102889.db2.gz HOJUKHKGYPZJLF-CYBMUJFWSA-N 1 3 358.267 3.428 20 0 FGADHO CC(C)[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+]1CCCCC1 ZINC000086238868 494145511 /nfs/dbraw/zinc/14/55/11/494145511.db2.gz FTGJQSSKWHBLHG-OAQYLSRUSA-N 1 3 373.541 3.092 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000065444157 494198566 /nfs/dbraw/zinc/19/85/66/494198566.db2.gz BRPFTLKBDDLHLV-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)C1CCN(C)CC1 ZINC000073429004 494369800 /nfs/dbraw/zinc/36/98/00/494369800.db2.gz GOHXYYHNRRRMSD-UHFFFAOYSA-N 1 3 357.542 3.089 20 0 FGADHO COc1cc(-c2noc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382643 505717850 /nfs/dbraw/zinc/71/78/50/505717850.db2.gz HGLKBMHMIFLZRK-HNNXBMFYSA-N 1 3 356.470 3.018 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090541611 494479871 /nfs/dbraw/zinc/47/98/71/494479871.db2.gz JSPASEWFMFRLMN-ILZDJORESA-N 1 3 364.555 3.332 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000074210878 494498092 /nfs/dbraw/zinc/49/80/92/494498092.db2.gz HYWBXVOXBPVEDQ-PKOBYXMFSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580297499 505726372 /nfs/dbraw/zinc/72/63/72/505726372.db2.gz IFJPKXIAFDFQQR-TZIWHRDSSA-N 1 3 372.488 3.038 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618541 /nfs/dbraw/zinc/61/85/41/494618541.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618545 /nfs/dbraw/zinc/61/85/45/494618545.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000115795675 494624177 /nfs/dbraw/zinc/62/41/77/494624177.db2.gz ZEVUTPRGLBRLLN-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000121219032 494653513 /nfs/dbraw/zinc/65/35/13/494653513.db2.gz MBHMNCVURAIKCZ-JKSUJKDBSA-N 1 3 355.473 3.212 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(CC3=Cc4ccccc4OC3)CC2)C[C@@H](C)O1 ZINC000092587319 494678572 /nfs/dbraw/zinc/67/85/72/494678572.db2.gz ZJPDUNQPTCPQNO-QZTJIDSGSA-N 1 3 356.510 3.284 20 0 FGADHO CC(C)C[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131658581 494690102 /nfs/dbraw/zinc/69/01/02/494690102.db2.gz PUAPWYFHHVVGIM-FQEVSTJZSA-N 1 3 364.578 3.155 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCCN(C)C3)c2)cc1 ZINC000108429085 494705971 /nfs/dbraw/zinc/70/59/71/494705971.db2.gz XPKVFIHBLYCGFR-GOSISDBHSA-N 1 3 367.493 3.379 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2ccc(F)cn2)CC1 ZINC000092739573 494733456 /nfs/dbraw/zinc/73/34/56/494733456.db2.gz KXKLWGOBZADLTO-QGZVFWFLSA-N 1 3 356.489 3.209 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739816 494734381 /nfs/dbraw/zinc/73/43/81/494734381.db2.gz XMZCGHWRLRVENN-IBGZPJMESA-N 1 3 370.516 3.469 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000116434531 494784864 /nfs/dbraw/zinc/78/48/64/494784864.db2.gz UXVHLODQNOLQEH-LJQANCHMSA-N 1 3 372.557 3.387 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000047884084 494788096 /nfs/dbraw/zinc/78/80/96/494788096.db2.gz DNMGWHUEZWTLDQ-SFHVURJKSA-N 1 3 366.575 3.303 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126647944 494810634 /nfs/dbraw/zinc/81/06/34/494810634.db2.gz ZGUITAGEXJMFDH-JOCHJYFZSA-N 1 3 353.485 3.350 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000092223308 494813592 /nfs/dbraw/zinc/81/35/92/494813592.db2.gz KEOTYDFQWUEVBK-UHFFFAOYSA-N 1 3 359.558 3.466 20 0 FGADHO CN1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525884 505745663 /nfs/dbraw/zinc/74/56/63/505745663.db2.gz NZSVDSIBWZJSLT-VQIMIIECSA-N 1 3 357.523 3.062 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127278866 494921769 /nfs/dbraw/zinc/92/17/69/494921769.db2.gz TXKCOYHQEOPCTM-LNLFQRSKSA-N 1 3 374.548 3.243 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000574338979 505750565 /nfs/dbraw/zinc/75/05/65/505750565.db2.gz ISFYRCLPIMTMSU-HOTGVXAUSA-N 1 3 352.906 3.256 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOCC1 ZINC000574338979 505750568 /nfs/dbraw/zinc/75/05/68/505750568.db2.gz ISFYRCLPIMTMSU-HOTGVXAUSA-N 1 3 352.906 3.256 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000580409169 505753073 /nfs/dbraw/zinc/75/30/73/505753073.db2.gz BNRFVKCPLRSSQO-UYAOXDASSA-N 1 3 374.916 3.448 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000127994252 495028126 /nfs/dbraw/zinc/02/81/26/495028126.db2.gz HLKXAPGJDJLYKI-OAGGEKHMSA-N 1 3 353.457 3.187 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000127994252 495028132 /nfs/dbraw/zinc/02/81/32/495028132.db2.gz HLKXAPGJDJLYKI-OAGGEKHMSA-N 1 3 353.457 3.187 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000118951471 495056095 /nfs/dbraw/zinc/05/60/95/495056095.db2.gz LXUWLJZLLHAFKC-UHFFFAOYSA-N 1 3 357.542 3.048 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173256 495062983 /nfs/dbraw/zinc/06/29/83/495062983.db2.gz QDZUPBQHMFQMFN-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173256 495062989 /nfs/dbraw/zinc/06/29/89/495062989.db2.gz QDZUPBQHMFQMFN-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173256 495062994 /nfs/dbraw/zinc/06/29/94/495062994.db2.gz QDZUPBQHMFQMFN-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO c1ccc(COc2cccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)c2)nc1 ZINC000580445331 505760759 /nfs/dbraw/zinc/76/07/59/505760759.db2.gz SSBODUTUHFRZEI-HXUWFJFHSA-N 1 3 351.494 3.482 20 0 FGADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128458726 495100166 /nfs/dbraw/zinc/10/01/66/495100166.db2.gz JORNNXKTCBZEIC-MRXNPFEDSA-N 1 3 373.570 3.192 20 0 FGADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000134170504 495116300 /nfs/dbraw/zinc/11/63/00/495116300.db2.gz RGAVDKSGQBOMPH-UHFFFAOYSA-N 1 3 355.530 3.426 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000134170504 495116303 /nfs/dbraw/zinc/11/63/03/495116303.db2.gz RGAVDKSGQBOMPH-UHFFFAOYSA-N 1 3 355.530 3.426 20 0 FGADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000111874816 495123999 /nfs/dbraw/zinc/12/39/99/495123999.db2.gz LHLMIZDAIFFPTI-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCN2CCCC2)CC1 ZINC000112742431 495234056 /nfs/dbraw/zinc/23/40/56/495234056.db2.gz RGFDKGDHSCBMCW-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO CN(C)[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112751077 495236189 /nfs/dbraw/zinc/23/61/89/495236189.db2.gz XEZJMDNSYBSBBS-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000103595557 495249226 /nfs/dbraw/zinc/24/92/26/495249226.db2.gz ZMVOFPLEZJDHEP-UHFFFAOYSA-N 1 3 364.578 3.158 20 0 FGADHO CC[N@@H+]1CC[C@H](NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000124598929 495313666 /nfs/dbraw/zinc/31/36/66/495313666.db2.gz RJQNYJPLMFMFNV-IWQHBPENSA-N 1 3 359.558 3.116 20 0 FGADHO CC[N@H+]1CC[C@H](NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000124598929 495313671 /nfs/dbraw/zinc/31/36/71/495313671.db2.gz RJQNYJPLMFMFNV-IWQHBPENSA-N 1 3 359.558 3.116 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000124598929 495313677 /nfs/dbraw/zinc/31/36/77/495313677.db2.gz RJQNYJPLMFMFNV-IWQHBPENSA-N 1 3 359.558 3.116 20 0 FGADHO CN(C(=O)NCC[N@H+](C)C1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000113617217 495320855 /nfs/dbraw/zinc/32/08/55/495320855.db2.gz BWCQGNYLYTYMLC-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C(=O)NCC[N@@H+](C)C1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000113617217 495320859 /nfs/dbraw/zinc/32/08/59/495320859.db2.gz BWCQGNYLYTYMLC-UHFFFAOYSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149849 495340494 /nfs/dbraw/zinc/34/04/94/495340494.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149849 495340496 /nfs/dbraw/zinc/34/04/96/495340496.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000105425583 495364925 /nfs/dbraw/zinc/36/49/25/495364925.db2.gz ZZHAAQNWHHSNHW-UHFFFAOYSA-N 1 3 357.542 3.048 20 0 FGADHO CC(C)[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000114827188 495432269 /nfs/dbraw/zinc/43/22/69/495432269.db2.gz OUKGBWLNKNONOX-SFHVURJKSA-N 1 3 364.578 3.013 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000125615589 495471968 /nfs/dbraw/zinc/47/19/68/495471968.db2.gz JGLBIVCHKFPWKN-DLBZAZTESA-N 1 3 367.559 3.221 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107636781 495530005 /nfs/dbraw/zinc/53/00/05/495530005.db2.gz JKSVMOAGHPDGEL-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444041 495566525 /nfs/dbraw/zinc/56/65/25/495566525.db2.gz DDOJEGUDKUBSNE-YLJYHZDGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444041 495566528 /nfs/dbraw/zinc/56/65/28/495566528.db2.gz DDOJEGUDKUBSNE-YLJYHZDGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccn1 ZINC000158693050 495569264 /nfs/dbraw/zinc/56/92/64/495569264.db2.gz ALYCAYYTNRNZJU-HXUWFJFHSA-N 1 3 352.526 3.330 20 0 FGADHO C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000173521693 495571000 /nfs/dbraw/zinc/57/10/00/495571000.db2.gz AXBRTFRYAYLKJC-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000154339031 495585554 /nfs/dbraw/zinc/58/55/54/495585554.db2.gz KKPGVBZNFIAFJI-UYAOXDASSA-N 1 3 357.542 3.230 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154344133 495587003 /nfs/dbraw/zinc/58/70/03/495587003.db2.gz RSHMEPMRCABZDL-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000154352017 495589251 /nfs/dbraw/zinc/58/92/51/495589251.db2.gz TVMQKABWMCOFAY-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1SC ZINC000154411910 495609071 /nfs/dbraw/zinc/60/90/71/495609071.db2.gz FLPDIDCVSWVTMP-MRXNPFEDSA-N 1 3 351.560 3.095 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000182563971 495617313 /nfs/dbraw/zinc/61/73/13/495617313.db2.gz GKNDEGKHVVRBOH-CEXWTWQISA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCC(C)CC1 ZINC000182563971 495617317 /nfs/dbraw/zinc/61/73/17/495617317.db2.gz GKNDEGKHVVRBOH-CEXWTWQISA-N 1 3 364.578 3.059 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176368045 495623591 /nfs/dbraw/zinc/62/35/91/495623591.db2.gz WZTRAGXNQULFOZ-RTWAWAEBSA-N 1 3 370.541 3.051 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000182588517 495627265 /nfs/dbraw/zinc/62/72/65/495627265.db2.gz PPRKSXJSNIDZRC-PKOBYXMFSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000580606941 505795816 /nfs/dbraw/zinc/79/58/16/505795816.db2.gz AGFNRVIHTYRQEV-FQEVSTJZSA-N 1 3 357.542 3.232 20 0 FGADHO CN(c1ccccc1CNC[C@@](C)(O)c1cccs1)C1CC[NH+](C)CC1 ZINC000150970971 495697530 /nfs/dbraw/zinc/69/75/30/495697530.db2.gz YCQNYJPJJGRISL-OAQYLSRUSA-N 1 3 373.566 3.276 20 0 FGADHO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150976772 495700116 /nfs/dbraw/zinc/70/01/16/495700116.db2.gz RAIHTGFKZXZLLF-JOCHJYFZSA-N 1 3 361.574 3.494 20 0 FGADHO COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185730980 495701218 /nfs/dbraw/zinc/70/12/18/495701218.db2.gz NOUJJJVFBXCWTG-SJORKVTESA-N 1 3 360.498 3.095 20 0 FGADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755556 495712629 /nfs/dbraw/zinc/71/26/29/495712629.db2.gz MXLINANZBFGRMP-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755556 495712635 /nfs/dbraw/zinc/71/26/35/495712635.db2.gz MXLINANZBFGRMP-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000185755556 495712639 /nfs/dbraw/zinc/71/26/39/495712639.db2.gz MXLINANZBFGRMP-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130801 495747877 /nfs/dbraw/zinc/74/78/77/495747877.db2.gz ACXAOCQADVOTQX-ROUUACIJSA-N 1 3 356.514 3.323 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182898532 495747943 /nfs/dbraw/zinc/74/79/43/495747943.db2.gz SMGDDNOCEPQUEO-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898532 495747951 /nfs/dbraw/zinc/74/79/51/495747951.db2.gz SMGDDNOCEPQUEO-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183148427 495855063 /nfs/dbraw/zinc/85/50/63/495855063.db2.gz YWBAAWLCCCKGRQ-CBPXPLCBSA-N 1 3 358.526 3.072 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1c(C)nc2ccccn2c1=O ZINC000577903886 505815326 /nfs/dbraw/zinc/81/53/26/505815326.db2.gz PUQAMGOBWWUPNI-UYAOXDASSA-N 1 3 370.541 3.036 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1c(C)nc2ccccn2c1=O ZINC000577903886 505815328 /nfs/dbraw/zinc/81/53/28/505815328.db2.gz PUQAMGOBWWUPNI-UYAOXDASSA-N 1 3 370.541 3.036 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000180457885 496003156 /nfs/dbraw/zinc/00/31/56/496003156.db2.gz JZSFDFQJNRBNHT-FQEVSTJZSA-N 1 3 365.949 3.176 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CNCc4ccccc43)cc21 ZINC000580717507 505822339 /nfs/dbraw/zinc/82/23/39/505822339.db2.gz GTYSQFSVXOPGJJ-HXUWFJFHSA-N 1 3 362.477 3.028 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000174650675 496047248 /nfs/dbraw/zinc/04/72/48/496047248.db2.gz BHHYMPYAIODSFA-QZTJIDSGSA-N 1 3 357.542 3.123 20 0 FGADHO CC[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511274 496091756 /nfs/dbraw/zinc/09/17/56/496091756.db2.gz XVUPBLWEEDJOPT-IBGZPJMESA-N 1 3 364.578 3.347 20 0 FGADHO CC(=O)Nc1cccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177510735 496092119 /nfs/dbraw/zinc/09/21/19/496092119.db2.gz AOQSZVQMPKUTKG-ROUUACIJSA-N 1 3 373.541 3.356 20 0 FGADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCCCC2 ZINC000574671668 505828773 /nfs/dbraw/zinc/82/87/73/505828773.db2.gz OMKQPBVLEBXBMH-UXHICEINSA-N 1 3 361.530 3.240 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768827 505834250 /nfs/dbraw/zinc/83/42/50/505834250.db2.gz ABZZQTWWBKRDOT-MBOZVWFJSA-N 1 3 360.523 3.161 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768827 505834252 /nfs/dbraw/zinc/83/42/52/505834252.db2.gz ABZZQTWWBKRDOT-MBOZVWFJSA-N 1 3 360.523 3.161 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582214 496284284 /nfs/dbraw/zinc/28/42/84/496284284.db2.gz NIBMLDWLIRJZPN-SLEUVZQESA-N 1 3 358.267 3.425 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582214 496284288 /nfs/dbraw/zinc/28/42/88/496284288.db2.gz NIBMLDWLIRJZPN-SLEUVZQESA-N 1 3 358.267 3.425 20 0 FGADHO COCCC1(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCCCC1 ZINC000187196620 496334398 /nfs/dbraw/zinc/33/43/98/496334398.db2.gz IJLATQYJCCRVFT-HXUWFJFHSA-N 1 3 351.579 3.075 20 0 FGADHO COCCC1(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000187196620 496334405 /nfs/dbraw/zinc/33/44/05/496334405.db2.gz IJLATQYJCCRVFT-HXUWFJFHSA-N 1 3 351.579 3.075 20 0 FGADHO CCS(=O)(=O)c1c(Cl)cccc1CNC1CCC(C[NH+](C)C)CC1 ZINC000187332863 496397430 /nfs/dbraw/zinc/39/74/30/496397430.db2.gz NMNKPOSNVKQOHV-UHFFFAOYSA-N 1 3 372.962 3.344 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181493649 496418358 /nfs/dbraw/zinc/41/83/58/496418358.db2.gz UKLKEPALCIUXRW-VQTJNVASSA-N 1 3 351.579 3.122 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000162848714 496423352 /nfs/dbraw/zinc/42/33/52/496423352.db2.gz LCWSSZRXXQBCJL-NHCUHLMSSA-N 1 3 373.585 3.173 20 0 FGADHO C[C@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000578025976 505844535 /nfs/dbraw/zinc/84/45/35/505844535.db2.gz LKDTTZQBBMVUPU-WOJBJXKFSA-N 1 3 366.933 3.034 20 0 FGADHO C[C@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000578025976 505844541 /nfs/dbraw/zinc/84/45/41/505844541.db2.gz LKDTTZQBBMVUPU-WOJBJXKFSA-N 1 3 366.933 3.034 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000178539946 496492282 /nfs/dbraw/zinc/49/22/82/496492282.db2.gz GTUQWNHHKFKUNM-UHFFFAOYSA-N 1 3 371.525 3.349 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163296900 496494999 /nfs/dbraw/zinc/49/49/99/496494999.db2.gz FQSAUKYRORGUPS-UONOGXRCSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163296900 496495005 /nfs/dbraw/zinc/49/50/05/496495005.db2.gz FQSAUKYRORGUPS-UONOGXRCSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163296900 496495011 /nfs/dbraw/zinc/49/50/11/496495011.db2.gz FQSAUKYRORGUPS-UONOGXRCSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157534654 496498228 /nfs/dbraw/zinc/49/82/28/496498228.db2.gz LXCCSMXMNOSPOX-CQSZACIVSA-N 1 3 369.351 3.421 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)CCn3cccn3)CC2)c1 ZINC000157543428 496500943 /nfs/dbraw/zinc/50/09/43/496500943.db2.gz XDIZFARTHHVJMB-NRFANRHFSA-N 1 3 369.557 3.162 20 0 FGADHO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175699602 496505921 /nfs/dbraw/zinc/50/59/21/496505921.db2.gz XZQCOSYBRSZVNT-APWZRJJASA-N 1 3 364.578 3.059 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000578048849 505849780 /nfs/dbraw/zinc/84/97/80/505849780.db2.gz SGQBPSYNCJGKOI-NRFANRHFSA-N 1 3 364.493 3.118 20 0 FGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164250987 496598696 /nfs/dbraw/zinc/59/86/96/496598696.db2.gz KXNDJZFGPDCKJS-OAQYLSRUSA-N 1 3 371.569 3.479 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000175967416 496621818 /nfs/dbraw/zinc/62/18/18/496621818.db2.gz VCRMYLGRWIKKTD-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000175967416 496621824 /nfs/dbraw/zinc/62/18/24/496621824.db2.gz VCRMYLGRWIKKTD-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182030999 496641510 /nfs/dbraw/zinc/64/15/10/496641510.db2.gz XVGIDGCSTIRONA-UEXGIBASSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182030999 496641518 /nfs/dbraw/zinc/64/15/18/496641518.db2.gz XVGIDGCSTIRONA-UEXGIBASSA-N 1 3 351.494 3.116 20 0 FGADHO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000158193575 496647603 /nfs/dbraw/zinc/64/76/03/496647603.db2.gz ZAOOYBFBWIMFTH-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000158193575 496647606 /nfs/dbraw/zinc/64/76/06/496647606.db2.gz ZAOOYBFBWIMFTH-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000158193575 496647607 /nfs/dbraw/zinc/64/76/07/496647607.db2.gz ZAOOYBFBWIMFTH-GSPCLOLRSA-N 1 3 350.506 3.090 20 0 FGADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000165885257 496671094 /nfs/dbraw/zinc/67/10/94/496671094.db2.gz OMVXPZGKKGMLGW-LJQANCHMSA-N 1 3 363.571 3.148 20 0 FGADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165885257 496671101 /nfs/dbraw/zinc/67/11/01/496671101.db2.gz OMVXPZGKKGMLGW-LJQANCHMSA-N 1 3 363.571 3.148 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000173416624 496683796 /nfs/dbraw/zinc/68/37/96/496683796.db2.gz BTWJFCHXTIWBPA-ZACQAIPSSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000173416624 496683801 /nfs/dbraw/zinc/68/38/01/496683801.db2.gz BTWJFCHXTIWBPA-ZACQAIPSSA-N 1 3 364.559 3.009 20 0 FGADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176138625 496700068 /nfs/dbraw/zinc/70/00/68/496700068.db2.gz YSRAPUBIRKSYHO-OAQYLSRUSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)O[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000185231722 496712159 /nfs/dbraw/zinc/71/21/59/496712159.db2.gz UECNWTYHAVJRHP-MOPGFXCFSA-N 1 3 351.579 3.118 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1F ZINC000580888254 505861739 /nfs/dbraw/zinc/86/17/39/505861739.db2.gz KFVAKYDIZZQOOQ-HXUWFJFHSA-N 1 3 364.505 3.090 20 0 FGADHO CCS(=O)(=O)C[C@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331507 496730010 /nfs/dbraw/zinc/73/00/10/496730010.db2.gz PIZIFUYJPDQZTO-KRWDZBQOSA-N 1 3 374.550 3.328 20 0 FGADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000246966582 496738317 /nfs/dbraw/zinc/73/83/17/496738317.db2.gz IDSAZKOSYNCCJJ-GOEBONIOSA-N 1 3 367.921 3.306 20 0 FGADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000246966582 496738318 /nfs/dbraw/zinc/73/83/18/496738318.db2.gz IDSAZKOSYNCCJJ-GOEBONIOSA-N 1 3 367.921 3.306 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000191406015 496752514 /nfs/dbraw/zinc/75/25/14/496752514.db2.gz ZUQWIYHPEJPRHL-UHFFFAOYSA-N 1 3 368.363 3.297 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000191406015 496752518 /nfs/dbraw/zinc/75/25/18/496752518.db2.gz ZUQWIYHPEJPRHL-UHFFFAOYSA-N 1 3 368.363 3.297 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049135 496762813 /nfs/dbraw/zinc/76/28/13/496762813.db2.gz NCVOCKZDCSRQAS-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049135 496762814 /nfs/dbraw/zinc/76/28/14/496762814.db2.gz NCVOCKZDCSRQAS-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049135 496762815 /nfs/dbraw/zinc/76/28/15/496762815.db2.gz NCVOCKZDCSRQAS-ZIAGYGMSSA-N 1 3 368.319 3.098 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268781213 496782549 /nfs/dbraw/zinc/78/25/49/496782549.db2.gz XZAWAJOXDSBBBB-VOQZNFBZSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000268781213 496782551 /nfs/dbraw/zinc/78/25/51/496782551.db2.gz XZAWAJOXDSBBBB-VOQZNFBZSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000268783137 496784412 /nfs/dbraw/zinc/78/44/12/496784412.db2.gz JGODFSHLRGYXQZ-DYESRHJHSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000268783137 496784418 /nfs/dbraw/zinc/78/44/18/496784418.db2.gz JGODFSHLRGYXQZ-DYESRHJHSA-N 1 3 369.484 3.056 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140756 496791533 /nfs/dbraw/zinc/79/15/33/496791533.db2.gz SHWBERJFESXBDR-RXVVDRJESA-N 1 3 369.509 3.359 20 0 FGADHO C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000572003946 505867257 /nfs/dbraw/zinc/86/72/57/505867257.db2.gz SKFVRWUXVBYAOU-ROUUACIJSA-N 1 3 357.542 3.221 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@H]21 ZINC000268972593 496839064 /nfs/dbraw/zinc/83/90/64/496839064.db2.gz ATZFHJXLBGEYST-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@H]21 ZINC000268972593 496839070 /nfs/dbraw/zinc/83/90/70/496839070.db2.gz ATZFHJXLBGEYST-NHCUHLMSSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000268993709 496844464 /nfs/dbraw/zinc/84/44/64/496844464.db2.gz NELJUZCSCDWSAD-GHTZIAJQSA-N 1 3 356.510 3.444 20 0 FGADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000277688098 496853889 /nfs/dbraw/zinc/85/38/89/496853889.db2.gz LBMOLCZHDIMMQH-UHFFFAOYSA-N 1 3 371.550 3.305 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000247922245 496927228 /nfs/dbraw/zinc/92/72/28/496927228.db2.gz CBYOAABKXHSJBT-QHAWAJNXSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000195746437 496963894 /nfs/dbraw/zinc/96/38/94/496963894.db2.gz AQEIPXCERJYYFD-FPOVZHCZSA-N 1 3 372.557 3.306 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CSCCc3ccccc32)C1 ZINC000248461021 497020268 /nfs/dbraw/zinc/02/02/68/497020268.db2.gz XCLNYNYZRHUAKE-IFMALSPDSA-N 1 3 368.546 3.373 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CSCCc3ccccc32)C1 ZINC000248461021 497020270 /nfs/dbraw/zinc/02/02/70/497020270.db2.gz XCLNYNYZRHUAKE-IFMALSPDSA-N 1 3 368.546 3.373 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000248462198 497020808 /nfs/dbraw/zinc/02/08/08/497020808.db2.gz YCYINRHXEIOXJY-DENIHFKCSA-N 1 3 352.478 3.039 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248462198 497020814 /nfs/dbraw/zinc/02/08/14/497020814.db2.gz YCYINRHXEIOXJY-DENIHFKCSA-N 1 3 352.478 3.039 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189168446 497031366 /nfs/dbraw/zinc/03/13/66/497031366.db2.gz WZIZBXDNYPZYBH-FQEVSTJZSA-N 1 3 355.526 3.325 20 0 FGADHO CCOC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248828297 497112422 /nfs/dbraw/zinc/11/24/22/497112422.db2.gz GTSPNQWSAKCTJB-LWYYNNOASA-N 1 3 357.498 3.002 20 0 FGADHO CCOC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828297 497112428 /nfs/dbraw/zinc/11/24/28/497112428.db2.gz GTSPNQWSAKCTJB-LWYYNNOASA-N 1 3 357.498 3.002 20 0 FGADHO COc1cccc2c1CC[C@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)C2 ZINC000192443713 497116697 /nfs/dbraw/zinc/11/66/97/497116697.db2.gz CZKDONIZDKFKHL-FQEVSTJZSA-N 1 3 371.569 3.092 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)CCN1Cc1ccccc1 ZINC000278472175 497126101 /nfs/dbraw/zinc/12/61/01/497126101.db2.gz JURMOCJZIAWDDK-SJBKTWHCSA-N 1 3 359.558 3.130 20 0 FGADHO CC(C)(CNC(=O)C[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236659901 497128879 /nfs/dbraw/zinc/12/88/79/497128879.db2.gz KIRACDLGQDBTSI-FQEVSTJZSA-N 1 3 351.494 3.030 20 0 FGADHO CCCN1CCN(c2ccccc2CN[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236804302 497148827 /nfs/dbraw/zinc/14/88/27/497148827.db2.gz ADZOPEXJRWMQOZ-SFTDATJTSA-N 1 3 358.574 3.181 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278549255 497151048 /nfs/dbraw/zinc/15/10/48/497151048.db2.gz PDHGYINAGPRVSP-UHFFFAOYSA-N 1 3 355.482 3.099 20 0 FGADHO C[C@@H](NCCc1cn2c(n1)SCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763061 497159597 /nfs/dbraw/zinc/15/95/97/497159597.db2.gz KQRDDBCHZZVSJI-AEFFLSMTSA-N 1 3 356.539 3.032 20 0 FGADHO C[C@@H](NCCc1cn2c(n1)SCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763061 497159602 /nfs/dbraw/zinc/15/96/02/497159602.db2.gz KQRDDBCHZZVSJI-AEFFLSMTSA-N 1 3 356.539 3.032 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236896014 497165050 /nfs/dbraw/zinc/16/50/50/497165050.db2.gz DLWSUVZNWYFIJR-MLNNCEHLSA-N 1 3 369.553 3.278 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000192754562 497204872 /nfs/dbraw/zinc/20/48/72/497204872.db2.gz UMJFCYQNZPNMDC-HSZRJFAPSA-N 1 3 373.585 3.126 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000192754562 497204878 /nfs/dbraw/zinc/20/48/78/497204878.db2.gz UMJFCYQNZPNMDC-HSZRJFAPSA-N 1 3 373.585 3.126 20 0 FGADHO CC[C@@](C)(O)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192841667 497227550 /nfs/dbraw/zinc/22/75/50/497227550.db2.gz XEPYHUPNKLCSNF-JOCHJYFZSA-N 1 3 361.574 3.066 20 0 FGADHO CC[C@@](C)(O)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192841667 497227556 /nfs/dbraw/zinc/22/75/56/497227556.db2.gz XEPYHUPNKLCSNF-JOCHJYFZSA-N 1 3 361.574 3.066 20 0 FGADHO C[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237428831 497235201 /nfs/dbraw/zinc/23/52/01/497235201.db2.gz UNQGDWOERATGLM-LAUBAEHRSA-N 1 3 365.521 3.276 20 0 FGADHO C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237444866 497237816 /nfs/dbraw/zinc/23/78/16/497237816.db2.gz UFPAQFYMNKXJNE-VDZJLULYSA-N 1 3 357.523 3.337 20 0 FGADHO C[C@H](CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237503627 497247757 /nfs/dbraw/zinc/24/77/57/497247757.db2.gz ISZUQKCLBIHTRT-WIYYLYMNSA-N 1 3 357.542 3.135 20 0 FGADHO c1ccc(CN2CC[C@@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934428 497250720 /nfs/dbraw/zinc/25/07/20/497250720.db2.gz WZNUBUJMYLKXBI-NRFANRHFSA-N 1 3 365.521 3.135 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000250777464 497270255 /nfs/dbraw/zinc/27/02/55/497270255.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 1 3 357.542 3.420 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000250777464 497270258 /nfs/dbraw/zinc/27/02/58/497270258.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237659008 497271141 /nfs/dbraw/zinc/27/11/41/497271141.db2.gz RVTPSSBTLGXKGN-IAGOWNOFSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000251720176 497283544 /nfs/dbraw/zinc/28/35/44/497283544.db2.gz LMNWPUAMYMLKAY-KAGYGMCKSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000251720176 497283548 /nfs/dbraw/zinc/28/35/48/497283548.db2.gz LMNWPUAMYMLKAY-KAGYGMCKSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000245417811 497395965 /nfs/dbraw/zinc/39/59/65/497395965.db2.gz GIAIVFPDWIFOIA-PKOBYXMFSA-N 1 3 363.571 3.368 20 0 FGADHO C[C@H](NC(=O)C[C@H](N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573987 497415470 /nfs/dbraw/zinc/41/54/70/497415470.db2.gz AXSSDISZINDFGF-WMQCIHAUSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H](NC(=O)C[C@H](N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573987 497415476 /nfs/dbraw/zinc/41/54/76/497415476.db2.gz AXSSDISZINDFGF-WMQCIHAUSA-N 1 3 351.494 3.103 20 0 FGADHO c1cc(CN2CCCCC2)cc(-c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)c1 ZINC000261606751 497417633 /nfs/dbraw/zinc/41/76/33/497417633.db2.gz AEKHKBILEULYDG-WIYYLYMNSA-N 1 3 352.482 3.364 20 0 FGADHO CN1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccccc1 ZINC000245619026 497476219 /nfs/dbraw/zinc/47/62/19/497476219.db2.gz DPEFMSKINHCSCZ-WOJBJXKFSA-N 1 3 352.482 3.315 20 0 FGADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977585 497486775 /nfs/dbraw/zinc/48/67/75/497486775.db2.gz GQEOVIPNVFZDNA-HUUCEWRRSA-N 1 3 351.922 3.227 20 0 FGADHO C[C@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1Cc1ccccc1 ZINC000262261726 497531280 /nfs/dbraw/zinc/53/12/80/497531280.db2.gz JLXOJAMMAFNCGQ-OYXUHDIQSA-N 1 3 369.553 3.309 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000280020769 497623073 /nfs/dbraw/zinc/62/30/73/497623073.db2.gz JXTLENMZNIVBBT-UHFFFAOYSA-N 1 3 369.484 3.267 20 0 FGADHO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272437392 497628850 /nfs/dbraw/zinc/62/88/50/497628850.db2.gz SBGNLYNIEATLEQ-WKCHPHFGSA-N 1 3 350.510 3.433 20 0 FGADHO Cc1ccc([C@@H](NCCCC[NH+](C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272522224 497650716 /nfs/dbraw/zinc/65/07/16/497650716.db2.gz YJFLRZOXEATOIE-OAQYLSRUSA-N 1 3 374.550 3.419 20 0 FGADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272529240 497652822 /nfs/dbraw/zinc/65/28/22/497652822.db2.gz AIIJNQRUSDOVKH-MJGOQNOKSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H](NCCNC(=O)c1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272529240 497652826 /nfs/dbraw/zinc/65/28/26/497652826.db2.gz AIIJNQRUSDOVKH-MJGOQNOKSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H](NCCNC(=O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529240 497652830 /nfs/dbraw/zinc/65/28/30/497652830.db2.gz AIIJNQRUSDOVKH-MJGOQNOKSA-N 1 3 369.484 3.056 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194436228 497667453 /nfs/dbraw/zinc/66/74/53/497667453.db2.gz IHJHGEZGMZHOSH-FQEVSTJZSA-N 1 3 372.557 3.120 20 0 FGADHO CC[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000263300234 497753481 /nfs/dbraw/zinc/75/34/81/497753481.db2.gz DASZNZAOKZFXOC-NHCUHLMSSA-N 1 3 351.494 3.030 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531199 497765134 /nfs/dbraw/zinc/76/51/34/497765134.db2.gz VTMDOUDKKPQIHG-JBACZVJFSA-N 1 3 374.573 3.441 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531199 497765138 /nfs/dbraw/zinc/76/51/38/497765138.db2.gz VTMDOUDKKPQIHG-JBACZVJFSA-N 1 3 374.573 3.441 20 0 FGADHO COC[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000246613479 497789339 /nfs/dbraw/zinc/78/93/39/497789339.db2.gz BKWDPQFNPSQRBV-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO COC[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000246613479 497789345 /nfs/dbraw/zinc/78/93/45/497789345.db2.gz BKWDPQFNPSQRBV-FGZHOGPDSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246856757 497817131 /nfs/dbraw/zinc/81/71/31/497817131.db2.gz BSYUOYSJBOMWBN-GUDVDZBRSA-N 1 3 373.541 3.353 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896325 497819134 /nfs/dbraw/zinc/81/91/34/497819134.db2.gz FQSAUKYRORGUPS-ZIAGYGMSSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896325 497819135 /nfs/dbraw/zinc/81/91/35/497819135.db2.gz FQSAUKYRORGUPS-ZIAGYGMSSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896325 497819136 /nfs/dbraw/zinc/81/91/36/497819136.db2.gz FQSAUKYRORGUPS-ZIAGYGMSSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924059 497820583 /nfs/dbraw/zinc/82/05/83/497820583.db2.gz GWEKSUDOLUTFHP-BHPKHCPMSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924059 497820584 /nfs/dbraw/zinc/82/05/84/497820584.db2.gz GWEKSUDOLUTFHP-BHPKHCPMSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000246924759 497820594 /nfs/dbraw/zinc/82/05/94/497820594.db2.gz GQCIQDHXRUBPRY-KZNAEPCWSA-N 1 3 362.514 3.388 20 0 FGADHO C[C@H]1C[C@@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2nccn21 ZINC000296069470 497910813 /nfs/dbraw/zinc/91/08/13/497910813.db2.gz SBSDXRNUXBJOFE-AZUAARDMSA-N 1 3 353.514 3.081 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000578640478 505987142 /nfs/dbraw/zinc/98/71/42/505987142.db2.gz XYWRJBAMUGBQBT-OXQOHEQNSA-N 1 3 368.949 3.489 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005858 498250998 /nfs/dbraw/zinc/25/09/98/498250998.db2.gz UJVJKFJBEZLKAD-CYBMUJFWSA-N 1 3 352.416 3.100 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005858 498251004 /nfs/dbraw/zinc/25/10/04/498251004.db2.gz UJVJKFJBEZLKAD-CYBMUJFWSA-N 1 3 352.416 3.100 20 0 FGADHO FC(F)(F)CN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000578720964 506004662 /nfs/dbraw/zinc/00/46/62/506004662.db2.gz BTQSLFOVRBVAKK-AKHDSKFASA-N 1 3 367.459 3.408 20 0 FGADHO FC(F)(F)CN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000578720964 506004665 /nfs/dbraw/zinc/00/46/65/506004665.db2.gz BTQSLFOVRBVAKK-AKHDSKFASA-N 1 3 367.459 3.408 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578756743 506014297 /nfs/dbraw/zinc/01/42/97/506014297.db2.gz JOIHBIUTEGSDBB-FXAWDEMLSA-N 1 3 354.498 3.023 20 0 FGADHO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000361946422 498443429 /nfs/dbraw/zinc/44/34/29/498443429.db2.gz XEFNHQIVWWFQLQ-APWZRJJASA-N 1 3 372.538 3.106 20 0 FGADHO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000361946428 498443608 /nfs/dbraw/zinc/44/36/08/498443608.db2.gz XEFNHQIVWWFQLQ-VQIMIIECSA-N 1 3 372.538 3.106 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000362217479 498477052 /nfs/dbraw/zinc/47/70/52/498477052.db2.gz HZXLLQKATPNFFA-REWPJTCUSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479181 /nfs/dbraw/zinc/47/91/81/498479181.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 1 3 372.513 3.245 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479185 /nfs/dbraw/zinc/47/91/85/498479185.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 1 3 372.513 3.245 20 0 FGADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000290451619 498558350 /nfs/dbraw/zinc/55/83/50/498558350.db2.gz SXBKORHNVUBPJW-WOJBJXKFSA-N 1 3 370.493 3.062 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000287193070 498667338 /nfs/dbraw/zinc/66/73/38/498667338.db2.gz YSLNVPRXVSKEPF-LJQANCHMSA-N 1 3 358.461 3.312 20 0 FGADHO CN(C)C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000287193070 498667344 /nfs/dbraw/zinc/66/73/44/498667344.db2.gz YSLNVPRXVSKEPF-LJQANCHMSA-N 1 3 358.461 3.312 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462666 498678332 /nfs/dbraw/zinc/67/83/32/498678332.db2.gz LVIDNEIKQBCBCA-WOJBJXKFSA-N 1 3 364.578 3.158 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524693 498687623 /nfs/dbraw/zinc/68/76/23/498687623.db2.gz DASURHIRSIYLBP-LJQANCHMSA-N 1 3 352.567 3.062 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260487 498733278 /nfs/dbraw/zinc/73/32/78/498733278.db2.gz WSPYAOAXNLXMEQ-FDFHNCONSA-N 1 3 367.537 3.229 20 0 FGADHO O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260487 498733287 /nfs/dbraw/zinc/73/32/87/498733287.db2.gz WSPYAOAXNLXMEQ-FDFHNCONSA-N 1 3 367.537 3.229 20 0 FGADHO COc1ccc(COCCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298334807 498735273 /nfs/dbraw/zinc/73/52/73/498735273.db2.gz IZGAZHUTIIVPQU-UHFFFAOYSA-N 1 3 355.482 3.256 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000312681374 498760408 /nfs/dbraw/zinc/76/04/08/498760408.db2.gz KYZYYHQSKAUWKR-KSCDAYEDSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000312681374 498760417 /nfs/dbraw/zinc/76/04/17/498760417.db2.gz KYZYYHQSKAUWKR-KSCDAYEDSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000312681375 498761542 /nfs/dbraw/zinc/76/15/42/498761542.db2.gz KYZYYHQSKAUWKR-OSZJIOELSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000312681375 498761549 /nfs/dbraw/zinc/76/15/49/498761549.db2.gz KYZYYHQSKAUWKR-OSZJIOELSA-N 1 3 365.521 3.349 20 0 FGADHO COc1ccccc1[C@@H](C[NH2+]C1CCN(C2CC2)CC1)N1CCCCC1 ZINC000298424687 498766722 /nfs/dbraw/zinc/76/67/22/498766722.db2.gz MUGDOHDJXPLMCY-OAQYLSRUSA-N 1 3 357.542 3.439 20 0 FGADHO COc1ccccc1[C@@H](CNC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000298424687 498766727 /nfs/dbraw/zinc/76/67/27/498766727.db2.gz MUGDOHDJXPLMCY-OAQYLSRUSA-N 1 3 357.542 3.439 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000320864008 498810344 /nfs/dbraw/zinc/81/03/44/498810344.db2.gz JIBYRTVROFQFJC-ZIAGYGMSSA-N 1 3 361.313 3.055 20 0 FGADHO CC1CC[NH+](CCC[C@H](NC[C@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141740 498812056 /nfs/dbraw/zinc/81/20/56/498812056.db2.gz HRPXIRHVHZUFDA-LEWJYISDSA-N 1 3 364.505 3.120 20 0 FGADHO O=C(C[C@@H]1CCC[N@H+](CCCN2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997633 506096098 /nfs/dbraw/zinc/09/60/98/506096098.db2.gz FXTQUDCSFYIASX-IBGZPJMESA-N 1 3 361.505 3.030 20 0 FGADHO O=C(C[C@@H]1CCC[N@@H+](CCCN2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997633 506096101 /nfs/dbraw/zinc/09/61/01/506096101.db2.gz FXTQUDCSFYIASX-IBGZPJMESA-N 1 3 361.505 3.030 20 0 FGADHO C[C@@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333129303 498908559 /nfs/dbraw/zinc/90/85/59/498908559.db2.gz JJSOIEUPVDYPQE-CVEARBPZSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@@H](NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129303 498908568 /nfs/dbraw/zinc/90/85/68/498908568.db2.gz JJSOIEUPVDYPQE-CVEARBPZSA-N 1 3 354.498 3.121 20 0 FGADHO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCCN(C2CCC2)C1 ZINC000333129303 498908579 /nfs/dbraw/zinc/90/85/79/498908579.db2.gz JJSOIEUPVDYPQE-CVEARBPZSA-N 1 3 354.498 3.121 20 0 FGADHO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(CN2CCCCC2)cc1 ZINC000298906793 498913902 /nfs/dbraw/zinc/91/39/02/498913902.db2.gz AZVXFGJLDVWULN-UHFFFAOYSA-N 1 3 355.526 3.277 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000582011512 506111815 /nfs/dbraw/zinc/11/18/15/506111815.db2.gz FSWRCYFVAJGCBH-QGZVFWFLSA-N 1 3 373.541 3.069 20 0 FGADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000333251607 498953862 /nfs/dbraw/zinc/95/38/62/498953862.db2.gz GWSXBPACGINZFU-OPYAIIAOSA-N 1 3 373.566 3.077 20 0 FGADHO CN1CCC([NH+]2CCC(N[C@@H]3CSCCc4ccccc43)CC2)CC1 ZINC000363788246 498993739 /nfs/dbraw/zinc/99/37/39/498993739.db2.gz ZLULMPWYVUIOPC-OAQYLSRUSA-N 1 3 359.583 3.165 20 0 FGADHO CC(CCN[C@H](CCO)c1ccco1)CC[NH2+][C@H](CCO)c1ccco1 ZINC000299397745 499046330 /nfs/dbraw/zinc/04/63/30/499046330.db2.gz RYFKYYMNMIMLJC-QZTJIDSGSA-N 1 3 364.486 3.015 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852760 499139420 /nfs/dbraw/zinc/13/94/20/499139420.db2.gz OMYZBEQLDZHEEJ-LRQRDZAKSA-N 1 3 372.534 3.434 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127701 499152333 /nfs/dbraw/zinc/15/23/33/499152333.db2.gz VCLPBKVCUMXWRD-ZFMNYDKASA-N 1 3 364.574 3.187 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)C1 ZINC000367127701 499152336 /nfs/dbraw/zinc/15/23/36/499152336.db2.gz VCLPBKVCUMXWRD-ZFMNYDKASA-N 1 3 364.574 3.187 20 0 FGADHO CC(=O)c1ccc(NC(=O)CCN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198460 499159966 /nfs/dbraw/zinc/15/99/66/499159966.db2.gz CAPUSXDEWBOKOK-UHFFFAOYSA-N 1 3 357.498 3.026 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615372 499235608 /nfs/dbraw/zinc/23/56/08/499235608.db2.gz CDRUWTPRRQXFFL-ZXNZYJFHSA-N 1 3 364.505 3.382 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615372 499235609 /nfs/dbraw/zinc/23/56/09/499235609.db2.gz CDRUWTPRRQXFFL-ZXNZYJFHSA-N 1 3 364.505 3.382 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@@H](N)c1ccccc1 ZINC000370763711 499252554 /nfs/dbraw/zinc/25/25/54/499252554.db2.gz OBNVOHZIMAJAFX-HPAHXVRCSA-N 1 3 357.542 3.482 20 0 FGADHO C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000371338035 499312651 /nfs/dbraw/zinc/31/26/51/499312651.db2.gz YAGGZVRWCFPFFX-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000371338035 499312652 /nfs/dbraw/zinc/31/26/52/499312652.db2.gz YAGGZVRWCFPFFX-UZLBHIALSA-N 1 3 372.944 3.346 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368681 506141938 /nfs/dbraw/zinc/14/19/38/506141938.db2.gz QMSBYEKYGJDBAK-RXVVDRJESA-N 1 3 362.514 3.201 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649617 499317319 /nfs/dbraw/zinc/31/73/19/499317319.db2.gz HCDAJYIUHZVXNU-LSTHTHJFSA-N 1 3 374.525 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649617 499317321 /nfs/dbraw/zinc/31/73/21/499317321.db2.gz HCDAJYIUHZVXNU-LSTHTHJFSA-N 1 3 374.525 3.311 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000369108644 499366340 /nfs/dbraw/zinc/36/63/40/499366340.db2.gz JEBDYBYHWSVOFM-UHFFFAOYSA-N 1 3 374.573 3.107 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314653 499390678 /nfs/dbraw/zinc/39/06/78/499390678.db2.gz CVAWZGKUGSNMGK-QXAKKESOSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314653 499390679 /nfs/dbraw/zinc/39/06/79/499390679.db2.gz CVAWZGKUGSNMGK-QXAKKESOSA-N 1 3 358.530 3.042 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378220185 499491373 /nfs/dbraw/zinc/49/13/73/499491373.db2.gz BPEQZJAKRLROTA-GOSISDBHSA-N 1 3 355.482 3.099 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845322 499553242 /nfs/dbraw/zinc/55/32/42/499553242.db2.gz NEKWVQHRFYZBFZ-UIFIKXQLSA-N 1 3 351.494 3.103 20 0 FGADHO c1ccc(CN2CCC[C@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000390582690 499554696 /nfs/dbraw/zinc/55/46/96/499554696.db2.gz JTYHWCJEPYPLNB-QFIPXVFZSA-N 1 3 350.510 3.305 20 0 FGADHO C[N@H+]1CC=C(CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000392216346 499558256 /nfs/dbraw/zinc/55/82/56/499558256.db2.gz AOVNVMDXOROEEX-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000392216346 499558258 /nfs/dbraw/zinc/55/82/58/499558258.db2.gz AOVNVMDXOROEEX-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO C[NH+](C)CCCC(C)(C)NCc1cc2c(cc1Br)OCO2 ZINC000395710643 499562869 /nfs/dbraw/zinc/56/28/69/499562869.db2.gz CEJDJAMYBRVBGZ-UHFFFAOYSA-N 1 3 357.292 3.388 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056438 499579235 /nfs/dbraw/zinc/57/92/35/499579235.db2.gz VVMOHHRORGQZDM-RLLQIKCJSA-N 1 3 359.562 3.022 20 0 FGADHO C[C@H]1COCCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408257 506151504 /nfs/dbraw/zinc/15/15/04/506151504.db2.gz AZIVFAMEGVGJHF-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000376318094 499600090 /nfs/dbraw/zinc/60/00/90/499600090.db2.gz FSEGSHPPCJDAPO-AVRDEDQJSA-N 1 3 365.521 3.437 20 0 FGADHO O=C(NCC1CC1)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173760 499706740 /nfs/dbraw/zinc/70/67/40/499706740.db2.gz NPPIFKFYJREEFN-QFIPXVFZSA-N 1 3 369.553 3.411 20 0 FGADHO CN1CCN([C@@H]2CCCC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674388 499718374 /nfs/dbraw/zinc/71/83/74/499718374.db2.gz NJPXJNHKCRSKIO-LJQANCHMSA-N 1 3 372.582 3.200 20 0 FGADHO CN1CCN([C@@H]2CCCC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674388 499718375 /nfs/dbraw/zinc/71/83/75/499718375.db2.gz NJPXJNHKCRSKIO-LJQANCHMSA-N 1 3 372.582 3.200 20 0 FGADHO CN1CC[NH+]([C@@H]2CCCCN(Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377674388 499718376 /nfs/dbraw/zinc/71/83/76/499718376.db2.gz NJPXJNHKCRSKIO-LJQANCHMSA-N 1 3 372.582 3.200 20 0 FGADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411455464 499742768 /nfs/dbraw/zinc/74/27/68/499742768.db2.gz JEQGAICUDYQULP-GOSISDBHSA-N 1 3 351.922 3.370 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411516088 499750300 /nfs/dbraw/zinc/75/03/00/499750300.db2.gz JDLRYSXAYVRTPX-OAQYLSRUSA-N 1 3 355.526 3.373 20 0 FGADHO CCN1CCC(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCCC2)CC1 ZINC000411544094 499753082 /nfs/dbraw/zinc/75/30/82/499753082.db2.gz NDCGUHSJXUCNAS-UHFFFAOYSA-N 1 3 357.542 3.122 20 0 FGADHO Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1C ZINC000414179270 499766078 /nfs/dbraw/zinc/76/60/78/499766078.db2.gz AFTQZDXCAGTCHX-FQEVSTJZSA-N 1 3 359.558 3.059 20 0 FGADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414199145 499767838 /nfs/dbraw/zinc/76/78/38/499767838.db2.gz QSVCYDWHGQOHTE-IBGZPJMESA-N 1 3 365.949 3.177 20 0 FGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199759 499768185 /nfs/dbraw/zinc/76/81/85/499768185.db2.gz RGOHEGPBGMBTGI-FQEVSTJZSA-N 1 3 373.585 3.129 20 0 FGADHO OC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC000414302188 499775859 /nfs/dbraw/zinc/77/58/59/499775859.db2.gz KGTOFJGIRMILPQ-BHDDXSALSA-N 1 3 372.553 3.198 20 0 FGADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414330277 499778326 /nfs/dbraw/zinc/77/83/26/499778326.db2.gz BMAAMZPZLKGAAX-JXFKEZNVSA-N 1 3 357.542 3.298 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000414346429 499779525 /nfs/dbraw/zinc/77/95/25/499779525.db2.gz VEAQLILYAUOFAT-YADHBBJMSA-N 1 3 369.553 3.442 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000411731408 499783929 /nfs/dbraw/zinc/78/39/29/499783929.db2.gz BBVUNHBKLSJADV-OAHLLOKOSA-N 1 3 357.473 3.230 20 0 FGADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1F ZINC000414555603 499808194 /nfs/dbraw/zinc/80/81/94/499808194.db2.gz NALHZQVMAXOESL-UHFFFAOYSA-N 1 3 369.484 3.121 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706109 499821426 /nfs/dbraw/zinc/82/14/26/499821426.db2.gz OLAAOGFVUVIEPW-QFBILLFUSA-N 1 3 363.933 3.454 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706109 499821429 /nfs/dbraw/zinc/82/14/29/499821429.db2.gz OLAAOGFVUVIEPW-QFBILLFUSA-N 1 3 363.933 3.454 20 0 FGADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414741563 499825546 /nfs/dbraw/zinc/82/55/46/499825546.db2.gz RZSJIGLSIXPIDI-QWHCGFSZSA-N 1 3 357.420 3.143 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777865 499829933 /nfs/dbraw/zinc/82/99/33/499829933.db2.gz INXVTPIHTLAQMO-CABCVRRESA-N 1 3 350.528 3.247 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@@H]21 ZINC000412188531 499832187 /nfs/dbraw/zinc/83/21/87/499832187.db2.gz BUWCHJMACUUAER-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@@H]21 ZINC000412188531 499832189 /nfs/dbraw/zinc/83/21/89/499832189.db2.gz BUWCHJMACUUAER-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414796789 499832343 /nfs/dbraw/zinc/83/23/43/499832343.db2.gz IAODXLKZSOQMRH-GOEBONIOSA-N 1 3 352.404 3.498 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCCC1 ZINC000414848382 499837428 /nfs/dbraw/zinc/83/74/28/499837428.db2.gz VVDCGSGRQBOULU-HNNXBMFYSA-N 1 3 351.922 3.328 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414851388 499837966 /nfs/dbraw/zinc/83/79/66/499837966.db2.gz JCOPKYIZMPVHKG-OWCLPIDISA-N 1 3 351.922 3.055 20 0 FGADHO COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001121 499853422 /nfs/dbraw/zinc/85/34/22/499853422.db2.gz KPFYDKGNDFMXOZ-RIFZZMRRSA-N 1 3 357.473 3.143 20 0 FGADHO COc1cccc(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415001121 499853424 /nfs/dbraw/zinc/85/34/24/499853424.db2.gz KPFYDKGNDFMXOZ-RIFZZMRRSA-N 1 3 357.473 3.143 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3CN(C[C@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102872 499864062 /nfs/dbraw/zinc/86/40/62/499864062.db2.gz JGRCYEHXBSPXFN-YRISNDGFSA-N 1 3 352.482 3.090 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@H]3CCCNC3)C4)n2)cc1 ZINC000415102872 499864064 /nfs/dbraw/zinc/86/40/64/499864064.db2.gz JGRCYEHXBSPXFN-YRISNDGFSA-N 1 3 352.482 3.090 20 0 FGADHO c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@H]3CCCNC3)C4)n2)cc1 ZINC000415102872 499864066 /nfs/dbraw/zinc/86/40/66/499864066.db2.gz JGRCYEHXBSPXFN-YRISNDGFSA-N 1 3 352.482 3.090 20 0 FGADHO FC(F)(F)c1cccc(CN2CCC([NH2+]C[C@H]3CCCNC3)CC2)c1 ZINC000415105466 499864365 /nfs/dbraw/zinc/86/43/65/499864365.db2.gz MIERXSGZBPOXAL-INIZCTEOSA-N 1 3 355.448 3.259 20 0 FGADHO CC(C)c1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415126906 499867106 /nfs/dbraw/zinc/86/71/06/499867106.db2.gz HHDQWQGSZKJYKZ-UHFFFAOYSA-N 1 3 358.555 3.350 20 0 FGADHO CCN(CC)Cc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000415466091 499894840 /nfs/dbraw/zinc/89/48/40/499894840.db2.gz QLKXZNHZORQNSE-HNNXBMFYSA-N 1 3 368.481 3.125 20 0 FGADHO CC1CCC(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000415881742 499924041 /nfs/dbraw/zinc/92/40/41/499924041.db2.gz JKWFCNYGTWTXOX-UHFFFAOYSA-N 1 3 356.514 3.061 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894567 499925156 /nfs/dbraw/zinc/92/51/56/499925156.db2.gz MKWJHHJNDGKESN-RDTXWAMCSA-N 1 3 356.470 3.176 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000415913615 499927524 /nfs/dbraw/zinc/92/75/24/499927524.db2.gz PYVKIOFXLMRUCM-IBGZPJMESA-N 1 3 352.482 3.192 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000415931045 499929868 /nfs/dbraw/zinc/92/98/68/499929868.db2.gz LFPPUUXMLSATFY-OXQOHEQNSA-N 1 3 352.482 3.191 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)N(C)C)cc1 ZINC000415965820 499934584 /nfs/dbraw/zinc/93/45/84/499934584.db2.gz VJMVTRADVAEUPT-HXUWFJFHSA-N 1 3 370.497 3.011 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000415966375 499934692 /nfs/dbraw/zinc/93/46/92/499934692.db2.gz GLIUUOQXCIBIAA-OLZOCXBDSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000415966375 499934694 /nfs/dbraw/zinc/93/46/94/499934694.db2.gz GLIUUOQXCIBIAA-OLZOCXBDSA-N 1 3 372.435 3.406 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979729 499936950 /nfs/dbraw/zinc/93/69/50/499936950.db2.gz XUIOOOVPVQVPAV-PBHICJAKSA-N 1 3 372.469 3.013 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCCN(Cc2ccccc2)CC1 ZINC000416001823 499939950 /nfs/dbraw/zinc/93/99/50/499939950.db2.gz CKLGDHXEAVKMLW-UHFFFAOYSA-N 1 3 350.466 3.030 20 0 FGADHO CN1CC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000416177572 499969743 /nfs/dbraw/zinc/96/97/43/499969743.db2.gz GEHNQAVOBFLFDH-SJBKTWHCSA-N 1 3 351.494 3.241 20 0 FGADHO C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970218 499971114 /nfs/dbraw/zinc/97/11/14/499971114.db2.gz XSEBRIBWUWCXDT-QWFCFKBJSA-N 1 3 374.573 3.173 20 0 FGADHO C[C@@H](NC(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189164 499974241 /nfs/dbraw/zinc/97/42/41/499974241.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H](NC(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189164 499974244 /nfs/dbraw/zinc/97/42/44/499974244.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201215 499979102 /nfs/dbraw/zinc/97/91/02/499979102.db2.gz RKAWZEHNVOGROD-FBBABVLZSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201215 499979106 /nfs/dbraw/zinc/97/91/06/499979106.db2.gz RKAWZEHNVOGROD-FBBABVLZSA-N 1 3 357.542 3.449 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624262 500006054 /nfs/dbraw/zinc/00/60/54/500006054.db2.gz JHTGGKIOHBIURA-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624262 500006058 /nfs/dbraw/zinc/00/60/58/500006058.db2.gz JHTGGKIOHBIURA-LEWJYISDSA-N 1 3 355.526 3.229 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000417587094 500118905 /nfs/dbraw/zinc/11/89/05/500118905.db2.gz NMXBFGLSMTYBPZ-IAGOWNOFSA-N 1 3 354.498 3.026 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000416842043 500135186 /nfs/dbraw/zinc/13/51/86/500135186.db2.gz MOGJXAOBYJZFHI-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO CCCN(C(=O)NCc1ccccc1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000416903166 500151655 /nfs/dbraw/zinc/15/16/55/500151655.db2.gz MTMHMUAQCDVDRU-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO CCCN(C(=O)NCC(C)(C)N[C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000417699722 500151756 /nfs/dbraw/zinc/15/17/56/500151756.db2.gz HYCLGNHCIWNHQX-QGZVFWFLSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828972 500179966 /nfs/dbraw/zinc/17/99/66/500179966.db2.gz QVXNVHONTSTBEM-UIFIKXQLSA-N 1 3 372.557 3.104 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833826 500180315 /nfs/dbraw/zinc/18/03/15/500180315.db2.gz UWGMTOLRNMWWAW-WIYYLYMNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000417852490 500184279 /nfs/dbraw/zinc/18/42/79/500184279.db2.gz ZKTRXQMRZQHTIC-XCJLJZCSSA-N 1 3 372.557 3.104 20 0 FGADHO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000430150924 500200511 /nfs/dbraw/zinc/20/05/11/500200511.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 1 3 354.450 3.261 20 0 FGADHO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)o1 ZINC000430150924 500200512 /nfs/dbraw/zinc/20/05/12/500200512.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 1 3 354.450 3.261 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000579470268 506182968 /nfs/dbraw/zinc/18/29/68/506182968.db2.gz CFJLPSMUIMLTTP-LAUBAEHRSA-N 1 3 366.509 3.203 20 0 FGADHO C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418160228 500239217 /nfs/dbraw/zinc/23/92/17/500239217.db2.gz BDKIRJMKHSHQGR-WIYYLYMNSA-N 1 3 368.525 3.238 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418161112 500239725 /nfs/dbraw/zinc/23/97/25/500239725.db2.gz SNEFANTYKOIWJC-MOPGFXCFSA-N 1 3 360.546 3.104 20 0 FGADHO CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560092 500255004 /nfs/dbraw/zinc/25/50/04/500255004.db2.gz YZLCXNWLOBQTDJ-LJQANCHMSA-N 1 3 359.539 3.261 20 0 FGADHO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)CN ZINC000430560092 500255007 /nfs/dbraw/zinc/25/50/07/500255007.db2.gz YZLCXNWLOBQTDJ-LJQANCHMSA-N 1 3 359.539 3.261 20 0 FGADHO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)CN ZINC000430560092 500255010 /nfs/dbraw/zinc/25/50/10/500255010.db2.gz YZLCXNWLOBQTDJ-LJQANCHMSA-N 1 3 359.539 3.261 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccccc1Br ZINC000430576605 500257196 /nfs/dbraw/zinc/25/71/96/500257196.db2.gz SJBMYPKIKJJGDK-AWEZNQCLSA-N 1 3 356.308 3.083 20 0 FGADHO C[N@H+](CCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418271373 500257977 /nfs/dbraw/zinc/25/79/77/500257977.db2.gz SZCUZURUPMZRKK-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO C[N@@H+](CCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000418271373 500257980 /nfs/dbraw/zinc/25/79/80/500257980.db2.gz SZCUZURUPMZRKK-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO CC(C)c1nnc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)s1 ZINC000426341036 500262092 /nfs/dbraw/zinc/26/20/92/500262092.db2.gz YGDZMOXMGZPJRX-HNNXBMFYSA-N 1 3 362.543 3.495 20 0 FGADHO CC(C)c1nnc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)s1 ZINC000426341037 500262162 /nfs/dbraw/zinc/26/21/62/500262162.db2.gz YGDZMOXMGZPJRX-OAHLLOKOSA-N 1 3 362.543 3.495 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000418354365 500267466 /nfs/dbraw/zinc/26/74/66/500267466.db2.gz OJEXOULQWFLONP-PMACEKPBSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000418354365 500267469 /nfs/dbraw/zinc/26/74/69/500267469.db2.gz OJEXOULQWFLONP-PMACEKPBSA-N 1 3 360.546 3.326 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418407835 500273171 /nfs/dbraw/zinc/27/31/71/500273171.db2.gz MDCVTXZCUDKRMQ-GFOJFJKKSA-N 1 3 372.557 3.198 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000430754737 500279748 /nfs/dbraw/zinc/27/97/48/500279748.db2.gz NFDLILWUAAVMQZ-PGRDOPGGSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000430754737 500279750 /nfs/dbraw/zinc/27/97/50/500279750.db2.gz NFDLILWUAAVMQZ-PGRDOPGGSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCN1 ZINC000422710572 500288574 /nfs/dbraw/zinc/28/85/74/500288574.db2.gz LLXHNFONICJZLE-QRTARXTBSA-N 1 3 352.320 3.148 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418602542 500296144 /nfs/dbraw/zinc/29/61/44/500296144.db2.gz VUOBBTZYDYXNML-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779936 500296487 /nfs/dbraw/zinc/29/64/87/500296487.db2.gz CKEUGFHATZVXGM-IERDGZPVSA-N 1 3 352.457 3.102 20 0 FGADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422784349 500297632 /nfs/dbraw/zinc/29/76/32/500297632.db2.gz LWGHBJYMSVPRKP-GBESFXJTSA-N 1 3 357.523 3.099 20 0 FGADHO CCc1ccc([C@H](N[C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422797876 500298833 /nfs/dbraw/zinc/29/88/33/500298833.db2.gz OWCIISZWSLKUKQ-IERDGZPVSA-N 1 3 374.550 3.459 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809121 500300377 /nfs/dbraw/zinc/30/03/77/500300377.db2.gz PHMKINDUTJOGKM-DHIUTWEWSA-N 1 3 364.537 3.242 20 0 FGADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000422809121 500300378 /nfs/dbraw/zinc/30/03/78/500300378.db2.gz PHMKINDUTJOGKM-DHIUTWEWSA-N 1 3 364.537 3.242 20 0 FGADHO CC(C)(C)CCN1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418653428 500301110 /nfs/dbraw/zinc/30/11/10/500301110.db2.gz AMFDJFZSQRRGLU-LJQANCHMSA-N 1 3 360.546 3.230 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418655612 500301722 /nfs/dbraw/zinc/30/17/22/500301722.db2.gz RCJPNSYNKBLUPK-FQEVSTJZSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833423 500303238 /nfs/dbraw/zinc/30/32/38/500303238.db2.gz GVFYGRRCLAAKAA-DRCTWCGVSA-N 1 3 367.704 3.368 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000422837641 500304357 /nfs/dbraw/zinc/30/43/57/500304357.db2.gz MQTFMTLELFSHGW-GHTZIAJQSA-N 1 3 359.558 3.044 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418669300 500304763 /nfs/dbraw/zinc/30/47/63/500304763.db2.gz HYUWILFBGYZNBB-UGKGYDQZSA-N 1 3 372.557 3.202 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000422860845 500306801 /nfs/dbraw/zinc/30/68/01/500306801.db2.gz LXJLWEALCLCDLO-OXQOHEQNSA-N 1 3 355.482 3.343 20 0 FGADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422861164 500306841 /nfs/dbraw/zinc/30/68/41/500306841.db2.gz MJNCBOPJDIJAQH-HMXCVIKNSA-N 1 3 373.516 3.331 20 0 FGADHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC(F)F ZINC000422877282 500308970 /nfs/dbraw/zinc/30/89/70/500308970.db2.gz HQZZRWLDZLYKBO-GFCCVEGCSA-N 1 3 365.424 3.352 20 0 FGADHO C[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418711630 500310693 /nfs/dbraw/zinc/31/06/93/500310693.db2.gz WNLHCNPYIWDKRC-SQGPQFPESA-N 1 3 372.557 3.054 20 0 FGADHO COc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422890082 500311499 /nfs/dbraw/zinc/31/14/99/500311499.db2.gz RCDQKLUTSLKTEO-PCCBWWKXSA-N 1 3 358.526 3.254 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCOCC1 ZINC000422897228 500313289 /nfs/dbraw/zinc/31/32/89/500313289.db2.gz BNWZMFBGVDSMMH-MAUKXSAKSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422897228 500313291 /nfs/dbraw/zinc/31/32/91/500313291.db2.gz BNWZMFBGVDSMMH-MAUKXSAKSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422901355 500314159 /nfs/dbraw/zinc/31/41/59/500314159.db2.gz BVBRREIYLJMUFM-RHSMWYFYSA-N 1 3 374.916 3.440 20 0 FGADHO COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422906874 500314331 /nfs/dbraw/zinc/31/43/31/500314331.db2.gz VXYZFYQMHVUWER-WBVHZDCISA-N 1 3 354.498 3.034 20 0 FGADHO COc1ccccc1Oc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422905710 500314717 /nfs/dbraw/zinc/31/47/17/500314717.db2.gz IUEUNAGDTDEJRJ-AYOQOUSVSA-N 1 3 356.466 3.329 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422906870 500314932 /nfs/dbraw/zinc/31/49/32/500314932.db2.gz VXYZFYQMHVUWER-NVXWUHKLSA-N 1 3 354.498 3.034 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cs1 ZINC000422916091 500316137 /nfs/dbraw/zinc/31/61/37/500316137.db2.gz ZXVHSWMTJRILSK-SJLPKXTDSA-N 1 3 350.576 3.025 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@H]3N)CC2)cs1 ZINC000422913538 500316355 /nfs/dbraw/zinc/31/63/55/500316355.db2.gz QDSATHUTDKCLHU-QZTJIDSGSA-N 1 3 350.576 3.167 20 0 FGADHO CCOC(=O)C1([C@H](C)NC2(c3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000422934526 500319147 /nfs/dbraw/zinc/31/91/47/500319147.db2.gz JRYDOQVDFVALLF-AWEZNQCLSA-N 1 3 350.890 3.240 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943487 500321355 /nfs/dbraw/zinc/32/13/55/500321355.db2.gz LRQBWOBEULDYNP-RKVPGOIHSA-N 1 3 366.347 3.253 20 0 FGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952592 500322625 /nfs/dbraw/zinc/32/26/25/500322625.db2.gz BKYQSVJXOFDSLM-UTKZUKDTSA-N 1 3 372.557 3.041 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000431017509 500324360 /nfs/dbraw/zinc/32/43/60/500324360.db2.gz QNSXLQCUOSDXHN-VQTJNVASSA-N 1 3 372.557 3.373 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000426821332 500324978 /nfs/dbraw/zinc/32/49/78/500324978.db2.gz RUJDYCFWYIQLJB-ROUUACIJSA-N 1 3 364.505 3.416 20 0 FGADHO COc1ccc([C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)N(C)C)cc1OC ZINC000422985485 500327272 /nfs/dbraw/zinc/32/72/72/500327272.db2.gz FAQYCUQZTIEJOE-QRQLOZEOSA-N 1 3 363.546 3.207 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994736 500328514 /nfs/dbraw/zinc/32/85/14/500328514.db2.gz VZPGVRHGNUOOOU-WZGPROSRSA-N 1 3 370.459 3.367 20 0 FGADHO NC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000431057773 500329660 /nfs/dbraw/zinc/32/96/60/500329660.db2.gz JPSBIARZGUVBJL-OAQYLSRUSA-N 1 3 351.494 3.396 20 0 FGADHO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)cc2)cc1 ZINC000423015089 500331181 /nfs/dbraw/zinc/33/11/81/500331181.db2.gz QKCFILFBAOJGQJ-NPFVIJTESA-N 1 3 370.493 3.372 20 0 FGADHO COc1ccc(Oc2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)cc1 ZINC000423015089 500331182 /nfs/dbraw/zinc/33/11/82/500331182.db2.gz QKCFILFBAOJGQJ-NPFVIJTESA-N 1 3 370.493 3.372 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423046880 500334947 /nfs/dbraw/zinc/33/49/47/500334947.db2.gz FHKDUAYEYZQJSV-IXDOHACOSA-N 1 3 371.447 3.466 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423071583 500338544 /nfs/dbraw/zinc/33/85/44/500338544.db2.gz FQBSSZWCBWMPMZ-UZQPLGKSSA-N 1 3 371.500 3.412 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)c1 ZINC000423084735 500339767 /nfs/dbraw/zinc/33/97/67/500339767.db2.gz IRBSVBCUMFMHQH-BRWVUGGUSA-N 1 3 369.351 3.326 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423108211 500342964 /nfs/dbraw/zinc/34/29/64/500342964.db2.gz FSIWKNDEEGDSQU-HLAWJBBLSA-N 1 3 357.542 3.121 20 0 FGADHO COCCC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)c1ccc(Cl)cc1 ZINC000423111094 500343688 /nfs/dbraw/zinc/34/36/88/500343688.db2.gz VSWJIQPJBCGFLT-QNDJGXFYSA-N 1 3 354.922 3.192 20 0 FGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCCCC[C@H]2[NH3+])cc1Br ZINC000423151440 500348374 /nfs/dbraw/zinc/34/83/74/500348374.db2.gz DFABDDIFTGEGAI-CGTJXYLNSA-N 1 3 369.347 3.158 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423173870 500351280 /nfs/dbraw/zinc/35/12/80/500351280.db2.gz AKGBOERMPIMKHV-QAPCUYQASA-N 1 3 366.347 3.131 20 0 FGADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423192194 500353467 /nfs/dbraw/zinc/35/34/67/500353467.db2.gz UQXVKOHZBNXOQL-OAHLLOKOSA-N 1 3 352.482 3.142 20 0 FGADHO C[C@@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423192421 500353498 /nfs/dbraw/zinc/35/34/98/500353498.db2.gz VGWQZPNBDNULGP-DENIHFKCSA-N 1 3 352.526 3.062 20 0 FGADHO C[C@H]([NH2+]CCCNCc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423192426 500354031 /nfs/dbraw/zinc/35/40/31/500354031.db2.gz VGWQZPNBDNULGP-UGKGYDQZSA-N 1 3 352.526 3.062 20 0 FGADHO CC(C)c1ccc([C@@H]([NH3+])CNC2CCN(Cc3ccccn3)CC2)cc1 ZINC000423248689 500358595 /nfs/dbraw/zinc/35/85/95/500358595.db2.gz RYNGMIZLJFFKHG-QFIPXVFZSA-N 1 3 352.526 3.459 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290050 500361975 /nfs/dbraw/zinc/36/19/75/500361975.db2.gz CCRFCIFLGUPOBG-GCJKJVERSA-N 1 3 353.510 3.178 20 0 FGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314769 500363469 /nfs/dbraw/zinc/36/34/69/500363469.db2.gz HRRHUIKZNRWAQX-YWZLYKJASA-N 1 3 350.466 3.301 20 0 FGADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000431339881 500365876 /nfs/dbraw/zinc/36/58/76/500365876.db2.gz ZNQKEQHFLXTTTF-XLIONFOSSA-N 1 3 373.541 3.201 20 0 FGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423346667 500366229 /nfs/dbraw/zinc/36/62/29/500366229.db2.gz PIQVYKSRYUBGLA-QGZVFWFLSA-N 1 3 362.477 3.484 20 0 FGADHO CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000423357069 500366582 /nfs/dbraw/zinc/36/65/82/500366582.db2.gz LESNIJJSAPQBRM-HXUWFJFHSA-N 1 3 357.542 3.483 20 0 FGADHO COCC1(CN[C@H](c2cccnc2)c2ccc(F)c(C)c2)CC[NH2+]CC1 ZINC000423398964 500370610 /nfs/dbraw/zinc/37/06/10/500370610.db2.gz DQCDHAZKKRYAKS-FQEVSTJZSA-N 1 3 357.473 3.224 20 0 FGADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423455329 500376126 /nfs/dbraw/zinc/37/61/26/500376126.db2.gz MLSGJLIULXUWQL-MDZRGWNJSA-N 1 3 367.896 3.167 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280838 500377582 /nfs/dbraw/zinc/37/75/82/500377582.db2.gz MDTMRODQUVUFOT-WIYYLYMNSA-N 1 3 371.569 3.355 20 0 FGADHO CC(=O)NCCc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423512494 500380862 /nfs/dbraw/zinc/38/08/62/500380862.db2.gz USSQNQALQMQGJX-HTAPYJJXSA-N 1 3 353.510 3.496 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000423547968 500384501 /nfs/dbraw/zinc/38/45/01/500384501.db2.gz QRHZRZWKYCOPTA-REWJHTLYSA-N 1 3 353.304 3.496 20 0 FGADHO Cc1nc2c(s1)[C@@H](NCC1([NH3+])CCN(Cc3ccccc3)CC1)CCC2 ZINC000423562019 500384930 /nfs/dbraw/zinc/38/49/30/500384930.db2.gz KHZNPRJMXBIUHY-SFHVURJKSA-N 1 3 370.566 3.412 20 0 FGADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546044 506192448 /nfs/dbraw/zinc/19/24/48/506192448.db2.gz VILJNXOFARXORG-ICSRJNTNSA-N 1 3 368.456 3.038 20 0 FGADHO C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)C1CC[NH2+]CC1 ZINC000423745765 500398077 /nfs/dbraw/zinc/39/80/77/500398077.db2.gz MUFHWFMWDPYMLH-LJQANCHMSA-N 1 3 359.558 3.035 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000423738191 500398164 /nfs/dbraw/zinc/39/81/64/500398164.db2.gz FURQESHPBUUWDT-UTKZUKDTSA-N 1 3 353.510 3.433 20 0 FGADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423742599 500398343 /nfs/dbraw/zinc/39/83/43/500398343.db2.gz JCEYSQQUKRKNPB-SFTDATJTSA-N 1 3 357.542 3.061 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000431621261 500399526 /nfs/dbraw/zinc/39/95/26/500399526.db2.gz LPUPFFBWOMWAFP-QFIPXVFZSA-N 1 3 365.521 3.414 20 0 FGADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423777842 500400889 /nfs/dbraw/zinc/40/08/89/500400889.db2.gz SJKBNBYPWCOZAT-KYNGSXCRSA-N 1 3 359.901 3.395 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775575 500400976 /nfs/dbraw/zinc/40/09/76/500400976.db2.gz MJUPIAKBWXHONP-QZTJIDSGSA-N 1 3 351.494 3.443 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000423855235 500412438 /nfs/dbraw/zinc/41/24/38/500412438.db2.gz VNBZODCLEHIRLY-HOTGVXAUSA-N 1 3 352.482 3.057 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000423855236 500412531 /nfs/dbraw/zinc/41/25/31/500412531.db2.gz VNBZODCLEHIRLY-HZPDHXFCSA-N 1 3 352.482 3.057 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297913 500437044 /nfs/dbraw/zinc/43/70/44/500437044.db2.gz GNZGOYJDCKGPST-UNMCSNQZSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297913 500437046 /nfs/dbraw/zinc/43/70/46/500437046.db2.gz GNZGOYJDCKGPST-UNMCSNQZSA-N 1 3 356.510 3.257 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301794 500437564 /nfs/dbraw/zinc/43/75/64/500437564.db2.gz JEWYWUZMOHXZJQ-SFHVURJKSA-N 1 3 358.482 3.195 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301794 500437566 /nfs/dbraw/zinc/43/75/66/500437566.db2.gz JEWYWUZMOHXZJQ-SFHVURJKSA-N 1 3 358.482 3.195 20 0 FGADHO Ic1ccc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312405 500439048 /nfs/dbraw/zinc/43/90/48/500439048.db2.gz WXWXNHIHEHGRAH-CJNGLKHVSA-N 1 3 370.278 3.428 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324153 500441498 /nfs/dbraw/zinc/44/14/98/500441498.db2.gz GTRKEDXINFFDQM-JKSUJKDBSA-N 1 3 356.466 3.431 20 0 FGADHO C[C@H](c1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420322529 500441766 /nfs/dbraw/zinc/44/17/66/500441766.db2.gz AIIPFDLEKFIBTO-JLZZUVOBSA-N 1 3 353.304 3.338 20 0 FGADHO CCOC(=O)c1oc2ccccc2c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323698 500441969 /nfs/dbraw/zinc/44/19/69/500441969.db2.gz GTRKEDXINFFDQM-HOTGVXAUSA-N 1 3 356.466 3.431 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369394 500449466 /nfs/dbraw/zinc/44/94/66/500449466.db2.gz IVLUZHQZRYNWTD-NRFANRHFSA-N 1 3 352.478 3.041 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369394 500449468 /nfs/dbraw/zinc/44/94/68/500449468.db2.gz IVLUZHQZRYNWTD-NRFANRHFSA-N 1 3 352.478 3.041 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420388703 500453773 /nfs/dbraw/zinc/45/37/73/500453773.db2.gz XIGGMZZGPWHWLG-SWLSCSKDSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420388703 500453775 /nfs/dbraw/zinc/45/37/75/500453775.db2.gz XIGGMZZGPWHWLG-SWLSCSKDSA-N 1 3 369.391 3.034 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420390501 500454137 /nfs/dbraw/zinc/45/41/37/500454137.db2.gz NRQMOIFLTKRXFI-FUHWJXTLSA-N 1 3 367.331 3.476 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289542 500481893 /nfs/dbraw/zinc/48/18/93/500481893.db2.gz LXGSQOWSGDBSOH-AVRDEDQJSA-N 1 3 369.553 3.498 20 0 FGADHO C[C@@H]1CC2(CN1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298993 500483533 /nfs/dbraw/zinc/48/35/33/500483533.db2.gz VFRBTFJCMVHQNJ-CQSZACIVSA-N 1 3 350.890 3.465 20 0 FGADHO C[C@H]1CC2(CN1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297529 500483583 /nfs/dbraw/zinc/48/35/83/500483583.db2.gz SVDSHQSXIMVQCM-LBPRGKRZSA-N 1 3 367.287 3.142 20 0 FGADHO CCN(C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305499 500483715 /nfs/dbraw/zinc/48/37/15/500483715.db2.gz SLRJLQNFANSHIT-ZBFHGGJFSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@H]1CC[N@H+](C[C@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305499 500483716 /nfs/dbraw/zinc/48/37/16/500483716.db2.gz SLRJLQNFANSHIT-ZBFHGGJFSA-N 1 3 361.427 3.074 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](C[C@H](CN)c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305499 500483719 /nfs/dbraw/zinc/48/37/19/500483719.db2.gz SLRJLQNFANSHIT-ZBFHGGJFSA-N 1 3 361.427 3.074 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244192 500485956 /nfs/dbraw/zinc/48/59/56/500485956.db2.gz XWZMXPFEQAJYSW-BXXSPATCSA-N 1 3 372.553 3.054 20 0 FGADHO C[N@H+](CCN1CCc2ccccc21)CC1CCN(c2ccncc2)CC1 ZINC000428303968 500493742 /nfs/dbraw/zinc/49/37/42/500493742.db2.gz RYHDQSVLMJAUHG-UHFFFAOYSA-N 1 3 350.510 3.293 20 0 FGADHO C[N@@H+](CCN1CCc2ccccc21)CC1CCN(c2ccncc2)CC1 ZINC000428303968 500493744 /nfs/dbraw/zinc/49/37/44/500493744.db2.gz RYHDQSVLMJAUHG-UHFFFAOYSA-N 1 3 350.510 3.293 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000420796336 500503369 /nfs/dbraw/zinc/50/33/69/500503369.db2.gz LPDSIZJWSBYHGV-DAWZGUTISA-N 1 3 366.575 3.303 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(Cl)ccc3OC)CC2)CC1 ZINC000420975927 500545297 /nfs/dbraw/zinc/54/52/97/500545297.db2.gz GIVNJSRQGXRKEX-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000420976505 500545328 /nfs/dbraw/zinc/54/53/28/500545328.db2.gz HCPYIJXRCCPWLU-UHFFFAOYSA-N 1 3 370.516 3.366 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000420982483 500547417 /nfs/dbraw/zinc/54/74/17/500547417.db2.gz OUVIBBDBQVSSEJ-UHFFFAOYSA-N 1 3 353.913 3.471 20 0 FGADHO COC1(CNCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000428858937 500566900 /nfs/dbraw/zinc/56/69/00/500566900.db2.gz GRQJGSWAUROEMV-RTBURBONSA-N 1 3 360.542 3.450 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000573494535 506204033 /nfs/dbraw/zinc/20/40/33/506204033.db2.gz PCYHMWSJPHVQIQ-GHTZIAJQSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000573494535 506204037 /nfs/dbraw/zinc/20/40/37/506204037.db2.gz PCYHMWSJPHVQIQ-GHTZIAJQSA-N 1 3 357.542 3.060 20 0 FGADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCCOCC[NH+](C)C ZINC000447597713 500631756 /nfs/dbraw/zinc/63/17/56/500631756.db2.gz GKJFYCGSCYXQIU-WBMJQRKESA-N 1 3 373.360 3.400 20 0 FGADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862200 500636433 /nfs/dbraw/zinc/63/64/33/500636433.db2.gz FINDOGVWLQSECY-QGZVFWFLSA-N 1 3 355.473 3.355 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878796 500638773 /nfs/dbraw/zinc/63/87/73/500638773.db2.gz UTUQGCYGYMTLQF-FQEVSTJZSA-N 1 3 357.542 3.005 20 0 FGADHO [NH3+]CC[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933047 500649042 /nfs/dbraw/zinc/64/90/42/500649042.db2.gz ZLVIAUATZOFEIH-CRAIPNDOSA-N 1 3 352.906 3.459 20 0 FGADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068408 500673032 /nfs/dbraw/zinc/67/30/32/500673032.db2.gz HZSPCHFRDNIGIG-LJQANCHMSA-N 1 3 357.542 3.066 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000433555519 500711106 /nfs/dbraw/zinc/71/11/06/500711106.db2.gz UUQVFYLYLQNWLX-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636330 500747732 /nfs/dbraw/zinc/74/77/32/500747732.db2.gz AYQCVKKONGTELB-MOPGFXCFSA-N 1 3 357.542 3.267 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571825 500803111 /nfs/dbraw/zinc/80/31/11/500803111.db2.gz BFKPROQUCDEGNR-RTWAWAEBSA-N 1 3 355.526 3.347 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438571825 500803114 /nfs/dbraw/zinc/80/31/14/500803114.db2.gz BFKPROQUCDEGNR-RTWAWAEBSA-N 1 3 355.526 3.347 20 0 FGADHO CC(C)N1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311966 500833198 /nfs/dbraw/zinc/83/31/98/500833198.db2.gz JTDYBLNYLIDFPY-HXUWFJFHSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)CC(CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448835344 500847424 /nfs/dbraw/zinc/84/74/24/500847424.db2.gz MLLLRAHEQDIGCN-UHFFFAOYSA-N 1 3 351.579 3.370 20 0 FGADHO Cc1cc(N2CCC([NH2+]C3CCN([C@@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146781 500863922 /nfs/dbraw/zinc/86/39/22/500863922.db2.gz OEQGYGBDPXGKAK-OXJNMPFZSA-N 1 3 359.562 3.320 20 0 FGADHO Cc1cc(N2CCC(NC3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)CC2)n[nH]1 ZINC000439146781 500863923 /nfs/dbraw/zinc/86/39/23/500863923.db2.gz OEQGYGBDPXGKAK-OXJNMPFZSA-N 1 3 359.562 3.320 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872388 /nfs/dbraw/zinc/87/23/88/500872388.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 1 3 364.578 3.011 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872390 /nfs/dbraw/zinc/87/23/90/500872390.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087308 500921891 /nfs/dbraw/zinc/92/18/91/500921891.db2.gz FTKNRMQKYLHJQW-OAHLLOKOSA-N 1 3 352.544 3.046 20 0 FGADHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087308 500921893 /nfs/dbraw/zinc/92/18/93/500921893.db2.gz FTKNRMQKYLHJQW-OAHLLOKOSA-N 1 3 352.544 3.046 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000607686993 506225211 /nfs/dbraw/zinc/22/52/11/506225211.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000607686993 506225215 /nfs/dbraw/zinc/22/52/15/506225215.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@]2(N(C)C)CCSC2)CC1 ZINC000449174966 500941152 /nfs/dbraw/zinc/94/11/52/500941152.db2.gz JGNRIQPBJBZKLB-NQIIRXRSSA-N 1 3 361.599 3.109 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203607 500946900 /nfs/dbraw/zinc/94/69/00/500946900.db2.gz HMENSNWPWXEHGO-MSOLQXFVSA-N 1 3 366.571 3.151 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203607 500946902 /nfs/dbraw/zinc/94/69/02/500946902.db2.gz HMENSNWPWXEHGO-MSOLQXFVSA-N 1 3 366.571 3.151 20 0 FGADHO C[NH2+]CCC1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435369519 500960453 /nfs/dbraw/zinc/96/04/53/500960453.db2.gz FSXXNJQCKAKKSF-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO O=C(NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375362 500962475 /nfs/dbraw/zinc/96/24/75/500962475.db2.gz UPDDRQXGOURUPM-FXAWDEMLSA-N 1 3 367.493 3.027 20 0 FGADHO CCN1CCN(c2ccccc2C[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000449368104 500988228 /nfs/dbraw/zinc/98/82/28/500988228.db2.gz CWEAKJCYTWSUJQ-UHFFFAOYSA-N 1 3 371.569 3.346 20 0 FGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(CS(C)(=O)=O)CC3)CC2)C1 ZINC000449371185 500989075 /nfs/dbraw/zinc/98/90/75/500989075.db2.gz RFHJONUCHPSMJQ-USWSCHJFSA-N 1 3 370.603 3.223 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781066 501085201 /nfs/dbraw/zinc/08/52/01/501085201.db2.gz ZGSFFTSCYWFIOP-GTAWCEEGSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)CC1 ZINC000449781066 501085205 /nfs/dbraw/zinc/08/52/05/501085205.db2.gz ZGSFFTSCYWFIOP-GTAWCEEGSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472397 501129624 /nfs/dbraw/zinc/12/96/24/501129624.db2.gz FKVHTBSSIXNHHY-AWWSKVOZSA-N 1 3 374.569 3.362 20 0 FGADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000446973227 501188975 /nfs/dbraw/zinc/18/89/75/501188975.db2.gz BZXUSMQHHSOETH-GVDBMIGSSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000446973227 501188978 /nfs/dbraw/zinc/18/89/78/501188978.db2.gz BZXUSMQHHSOETH-GVDBMIGSSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000446973227 501188980 /nfs/dbraw/zinc/18/89/80/501188980.db2.gz BZXUSMQHHSOETH-GVDBMIGSSA-N 1 3 374.422 3.404 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161154 501281813 /nfs/dbraw/zinc/28/18/13/501281813.db2.gz ISASRDKXRZTTDF-OTWHNJEPSA-N 1 3 368.525 3.337 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161154 501281815 /nfs/dbraw/zinc/28/18/15/501281815.db2.gz ISASRDKXRZTTDF-OTWHNJEPSA-N 1 3 368.525 3.337 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457699458 501290404 /nfs/dbraw/zinc/29/04/04/501290404.db2.gz XPPDLLFHEYNNMW-UHFFFAOYSA-N 1 3 370.541 3.021 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498075 501306799 /nfs/dbraw/zinc/30/67/99/501306799.db2.gz NDQBCUMGQBINRQ-YADHBBJMSA-N 1 3 373.585 3.376 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000457800922 501311638 /nfs/dbraw/zinc/31/16/38/501311638.db2.gz XXEGZOGKPHUUPI-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000457800922 501311640 /nfs/dbraw/zinc/31/16/40/501311640.db2.gz XXEGZOGKPHUUPI-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)C[C@@]1(C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458138837 501378423 /nfs/dbraw/zinc/37/84/23/501378423.db2.gz WMSFSXQRZXJFHS-OAQYLSRUSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172535 501384335 /nfs/dbraw/zinc/38/43/35/501384335.db2.gz QUEXZQNDVCRSLG-DENIHFKCSA-N 1 3 371.569 3.178 20 0 FGADHO C[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172535 501384339 /nfs/dbraw/zinc/38/43/39/501384339.db2.gz QUEXZQNDVCRSLG-DENIHFKCSA-N 1 3 371.569 3.178 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000458195665 501389393 /nfs/dbraw/zinc/38/93/93/501389393.db2.gz CGLNYFSAIDCSNW-GOSISDBHSA-N 1 3 363.571 3.293 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000458195665 501389396 /nfs/dbraw/zinc/38/93/96/501389396.db2.gz CGLNYFSAIDCSNW-GOSISDBHSA-N 1 3 363.571 3.293 20 0 FGADHO CC(C)N1CCN(CCCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451902119 501396593 /nfs/dbraw/zinc/39/65/93/501396593.db2.gz NBUCTNCBNOIRPG-UHFFFAOYSA-N 1 3 366.638 3.235 20 0 FGADHO CN(C)Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000458274387 501408848 /nfs/dbraw/zinc/40/88/48/501408848.db2.gz BEKQTRUCRBKOCN-UHFFFAOYSA-N 1 3 359.445 3.080 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CCCCC4)C3)ccc21 ZINC000455892906 501408898 /nfs/dbraw/zinc/40/88/98/501408898.db2.gz CACJDNGJLCSOSU-QUCCMNQESA-N 1 3 356.514 3.328 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508435 501462229 /nfs/dbraw/zinc/46/22/29/501462229.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508435 501462232 /nfs/dbraw/zinc/46/22/32/501462232.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 1 3 372.557 3.024 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000454383616 501529522 /nfs/dbraw/zinc/52/95/22/501529522.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 1 3 372.557 3.215 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000454383616 501529525 /nfs/dbraw/zinc/52/95/25/501529525.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 1 3 372.557 3.215 20 0 FGADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000456785374 501598123 /nfs/dbraw/zinc/59/81/23/501598123.db2.gz DCVXZWVUWIGJJJ-UHFFFAOYSA-N 1 3 365.905 3.093 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000454646024 501600375 /nfs/dbraw/zinc/60/03/75/501600375.db2.gz PIZAEXDZFVMQPG-IAGOWNOFSA-N 1 3 352.567 3.011 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646024 501600377 /nfs/dbraw/zinc/60/03/77/501600377.db2.gz PIZAEXDZFVMQPG-IAGOWNOFSA-N 1 3 352.567 3.011 20 0 FGADHO CCOCC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030712 501604498 /nfs/dbraw/zinc/60/44/98/501604498.db2.gz YQSDJPKJJIMTES-VXKWHMMOSA-N 1 3 374.569 3.397 20 0 FGADHO CCOCC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030712 501604500 /nfs/dbraw/zinc/60/45/00/501604500.db2.gz YQSDJPKJJIMTES-VXKWHMMOSA-N 1 3 374.569 3.397 20 0 FGADHO FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000459560060 501676704 /nfs/dbraw/zinc/67/67/04/501676704.db2.gz KIUSJYKNZPXUEM-RBUKOAKNSA-N 1 3 367.459 3.233 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000457382245 501690992 /nfs/dbraw/zinc/69/09/92/501690992.db2.gz DCQQERBJCQRRJS-UHFFFAOYSA-N 1 3 366.575 3.131 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000459798409 501715197 /nfs/dbraw/zinc/71/51/97/501715197.db2.gz XRXVHXMIGFZJBT-ZDUSSCGKSA-N 1 3 369.303 3.057 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459798409 501715198 /nfs/dbraw/zinc/71/51/98/501715198.db2.gz XRXVHXMIGFZJBT-ZDUSSCGKSA-N 1 3 369.303 3.057 20 0 FGADHO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C12CCC2 ZINC000459799072 501715284 /nfs/dbraw/zinc/71/52/84/501715284.db2.gz YHBKGIOJOIOADL-NHCUHLMSSA-N 1 3 357.542 3.264 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@@H]1C ZINC000463736427 501806174 /nfs/dbraw/zinc/80/61/74/501806174.db2.gz OQUBGGOTEIZTNO-LVCYWYKZSA-N 1 3 357.542 3.427 20 0 FGADHO Cc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000474598970 501888000 /nfs/dbraw/zinc/88/80/00/501888000.db2.gz LXJLSOQDSYLRJH-KDURUIRLSA-N 1 3 356.514 3.160 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000464071300 501890318 /nfs/dbraw/zinc/89/03/18/501890318.db2.gz XAVZJAPGKLAIBJ-BHIFYINESA-N 1 3 372.553 3.328 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896248 /nfs/dbraw/zinc/89/62/48/501896248.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896253 /nfs/dbraw/zinc/89/62/53/501896253.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 1 3 367.921 3.482 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075171 501948579 /nfs/dbraw/zinc/94/85/79/501948579.db2.gz XIYSCVREKOCLOE-OKZBNKHCSA-N 1 3 363.571 3.368 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075171 501948584 /nfs/dbraw/zinc/94/85/84/501948584.db2.gz XIYSCVREKOCLOE-OKZBNKHCSA-N 1 3 363.571 3.368 20 0 FGADHO CC(C)(CNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410421 501972193 /nfs/dbraw/zinc/97/21/93/501972193.db2.gz VKAZERFVTNZQDU-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482112996 501978576 /nfs/dbraw/zinc/97/85/76/501978576.db2.gz IKWKWWXGPAYVHI-FQEVSTJZSA-N 1 3 368.550 3.420 20 0 FGADHO CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475027158 502026066 /nfs/dbraw/zinc/02/60/66/502026066.db2.gz FLVNQSHWEWPZDO-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000468430426 502056608 /nfs/dbraw/zinc/05/66/08/502056608.db2.gz XZDZPYSUIPXFIZ-NRFANRHFSA-N 1 3 374.573 3.197 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127663 502070012 /nfs/dbraw/zinc/07/00/12/502070012.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127663 502070016 /nfs/dbraw/zinc/07/00/16/502070016.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 1 3 372.557 3.165 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492055 502079904 /nfs/dbraw/zinc/07/99/04/502079904.db2.gz LZCANPNMCQANLI-FQEVSTJZSA-N 1 3 357.542 3.135 20 0 FGADHO Cc1cc(C)cc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000475149546 502082458 /nfs/dbraw/zinc/08/24/58/502082458.db2.gz PJCXEXXNYHATKX-GHTZIAJQSA-N 1 3 353.510 3.373 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468532962 502094589 /nfs/dbraw/zinc/09/45/89/502094589.db2.gz RPYRYDVBDOAUOQ-UYAOXDASSA-N 1 3 360.546 3.195 20 0 FGADHO CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(CC)CC ZINC000461451930 502119697 /nfs/dbraw/zinc/11/96/97/502119697.db2.gz GOVAZFMJJJWADX-IZZBFERCSA-N 1 3 359.558 3.380 20 0 FGADHO CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(CC)CC ZINC000461451930 502119702 /nfs/dbraw/zinc/11/97/02/502119702.db2.gz GOVAZFMJJJWADX-IZZBFERCSA-N 1 3 359.558 3.380 20 0 FGADHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288744 502120835 /nfs/dbraw/zinc/12/08/35/502120835.db2.gz UQRFTTVYFVFSNU-HXUWFJFHSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475288744 502120841 /nfs/dbraw/zinc/12/08/41/502120841.db2.gz UQRFTTVYFVFSNU-HXUWFJFHSA-N 1 3 361.493 3.187 20 0 FGADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475288744 502120844 /nfs/dbraw/zinc/12/08/44/502120844.db2.gz UQRFTTVYFVFSNU-HXUWFJFHSA-N 1 3 361.493 3.187 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750418 502170986 /nfs/dbraw/zinc/17/09/86/502170986.db2.gz ZHPBHPODAOZTPM-IRXDYDNUSA-N 1 3 361.555 3.089 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000461803897 502208799 /nfs/dbraw/zinc/20/87/99/502208799.db2.gz SLBBZLVDRZJTSK-UHFFFAOYSA-N 1 3 363.549 3.341 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296654 502217382 /nfs/dbraw/zinc/21/73/82/502217382.db2.gz QJAGHMGIEXPZPA-LJQANCHMSA-N 1 3 373.516 3.030 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000472071346 502219433 /nfs/dbraw/zinc/21/94/33/502219433.db2.gz BXBULCYELZYDGR-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008752 502271951 /nfs/dbraw/zinc/27/19/51/502271951.db2.gz IGZPWPGUISSRMJ-OAQYLSRUSA-N 1 3 359.558 3.274 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462014073 502274331 /nfs/dbraw/zinc/27/43/31/502274331.db2.gz YJEYODYBDVFKGC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000462014073 502274335 /nfs/dbraw/zinc/27/43/35/502274335.db2.gz YJEYODYBDVFKGC-LJQANCHMSA-N 1 3 374.573 3.413 20 0 FGADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479537782 502289678 /nfs/dbraw/zinc/28/96/78/502289678.db2.gz AMNGZBVMGSQJRM-ZXDFIECXSA-N 1 3 357.542 3.055 20 0 FGADHO C(=C\c1ccncc1)\C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000486943899 502312236 /nfs/dbraw/zinc/31/22/36/502312236.db2.gz YHBZGIDTZRVLJZ-SREVYHEPSA-N 1 3 350.510 3.287 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465604114 502323491 /nfs/dbraw/zinc/32/34/91/502323491.db2.gz ULESXYCBWJUPGX-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653690 502337673 /nfs/dbraw/zinc/33/76/73/502337673.db2.gz FWJRXIHISBQRRT-AZUAARDMSA-N 1 3 360.546 3.114 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653690 502337681 /nfs/dbraw/zinc/33/76/81/502337681.db2.gz FWJRXIHISBQRRT-AZUAARDMSA-N 1 3 360.546 3.114 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465692841 502348811 /nfs/dbraw/zinc/34/88/11/502348811.db2.gz KKJVUXRQPXMTJE-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465692841 502348815 /nfs/dbraw/zinc/34/88/15/502348815.db2.gz KKJVUXRQPXMTJE-SFTDATJTSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](c1ccccc1)N(C)C ZINC000479807773 502383288 /nfs/dbraw/zinc/38/32/88/502383288.db2.gz BFPHPXWAAIQUJD-PZJWPPBQSA-N 1 3 374.573 3.489 20 0 FGADHO CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000487320751 502417627 /nfs/dbraw/zinc/41/76/27/502417627.db2.gz OETREIZHMKAUET-MRXNPFEDSA-N 1 3 353.938 3.102 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988478 502447090 /nfs/dbraw/zinc/44/70/90/502447090.db2.gz WCJFTPBNNZXXRQ-MSOLQXFVSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988478 502447097 /nfs/dbraw/zinc/44/70/97/502447097.db2.gz WCJFTPBNNZXXRQ-MSOLQXFVSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005174 502451544 /nfs/dbraw/zinc/45/15/44/502451544.db2.gz UILKRCCCKYBVAU-MJGOQNOKSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005174 502451551 /nfs/dbraw/zinc/45/15/51/502451551.db2.gz UILKRCCCKYBVAU-MJGOQNOKSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000480139716 502481866 /nfs/dbraw/zinc/48/18/66/502481866.db2.gz IQPKFDSTGBXOMS-SFHVURJKSA-N 1 3 353.510 3.436 20 0 FGADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cc(F)ccc2OC)CC1 ZINC000462785785 502572742 /nfs/dbraw/zinc/57/27/42/502572742.db2.gz RRVFDQHRCCMPJJ-UHFFFAOYSA-N 1 3 371.500 3.262 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2cccc(Br)c21 ZINC000484142231 502582028 /nfs/dbraw/zinc/58/20/28/502582028.db2.gz IDXDBCALFKHJKA-SWLSCSKDSA-N 1 3 353.304 3.044 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019064 502602127 /nfs/dbraw/zinc/60/21/27/502602127.db2.gz WDKYZMQFZYPNIJ-LQWHRVPQSA-N 1 3 364.578 3.013 20 0 FGADHO O[C@H]1CC[N@H+](Cc2cccc(NC3CCN(CCC(F)(F)F)CC3)c2)C1 ZINC000462866504 502605823 /nfs/dbraw/zinc/60/58/23/502605823.db2.gz NBWOKGNVEMVMFP-SFHVURJKSA-N 1 3 371.447 3.082 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2cccc(NC3CCN(CCC(F)(F)F)CC3)c2)C1 ZINC000462866504 502605824 /nfs/dbraw/zinc/60/58/24/502605824.db2.gz NBWOKGNVEMVMFP-SFHVURJKSA-N 1 3 371.447 3.082 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584090 502610436 /nfs/dbraw/zinc/61/04/36/502610436.db2.gz PEAYUQUYJWZNDX-TUNNFDKTSA-N 1 3 359.558 3.158 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600046 502616578 /nfs/dbraw/zinc/61/65/78/502616578.db2.gz HJBAYSZDQMAIQN-PGRDOPGGSA-N 1 3 365.521 3.437 20 0 FGADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600046 502616585 /nfs/dbraw/zinc/61/65/85/502616585.db2.gz HJBAYSZDQMAIQN-PGRDOPGGSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@@H]([NH3+])C1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470019526 502632250 /nfs/dbraw/zinc/63/22/50/502632250.db2.gz GEKQGYCWUYWYRI-CYBMUJFWSA-N 1 3 363.303 3.194 20 0 FGADHO CN(C)[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000463241058 502733164 /nfs/dbraw/zinc/73/31/64/502733164.db2.gz ZUVIUEGWZWIPTE-OTYNDTSQSA-N 1 3 359.583 3.209 20 0 FGADHO C[C@@H](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269734 502741105 /nfs/dbraw/zinc/74/11/05/502741105.db2.gz CANNWFPIQWLHNY-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[C@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C(=O)NCCN(C)C ZINC000470364299 502750698 /nfs/dbraw/zinc/75/06/98/502750698.db2.gz TWWCVQPRDNAAHP-QAPCUYQASA-N 1 3 353.938 3.126 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488597471 502761835 /nfs/dbraw/zinc/76/18/35/502761835.db2.gz PEQHHWFSCWSIHG-SFHVURJKSA-N 1 3 352.567 3.014 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763089 /nfs/dbraw/zinc/76/30/89/502763089.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 1 3 372.557 3.336 20 0 FGADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763095 /nfs/dbraw/zinc/76/30/95/502763095.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 1 3 372.557 3.336 20 0 FGADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919654 502777444 /nfs/dbraw/zinc/77/74/44/502777444.db2.gz UXMQQILCMDHHBU-SJORKVTESA-N 1 3 353.466 3.477 20 0 FGADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000474009942 502777991 /nfs/dbraw/zinc/77/79/91/502777991.db2.gz MPFPNZHFLJNAFV-HBFSDRIKSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000500657393 502833640 /nfs/dbraw/zinc/83/36/40/502833640.db2.gz WXMRDUUOLQTTLG-KDURUIRLSA-N 1 3 372.557 3.012 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000500657393 502833645 /nfs/dbraw/zinc/83/36/45/502833645.db2.gz WXMRDUUOLQTTLG-KDURUIRLSA-N 1 3 372.557 3.012 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455176 502841603 /nfs/dbraw/zinc/84/16/03/502841603.db2.gz NEMPNGZZZJSLLJ-WNRNVDISSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455176 502841604 /nfs/dbraw/zinc/84/16/04/502841604.db2.gz NEMPNGZZZJSLLJ-WNRNVDISSA-N 1 3 364.534 3.271 20 0 FGADHO CN(CC(=O)NC1CCCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062241 502925780 /nfs/dbraw/zinc/92/57/80/502925780.db2.gz HZNBHOYMKXXWJH-UHFFFAOYSA-N 1 3 358.530 3.069 20 0 FGADHO C(CN1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399842 502948607 /nfs/dbraw/zinc/94/86/07/502948607.db2.gz ZGMHMTPGPJNAOX-NHCUHLMSSA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399842 502948612 /nfs/dbraw/zinc/94/86/12/502948612.db2.gz ZGMHMTPGPJNAOX-NHCUHLMSSA-N 1 3 350.547 3.162 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000505632721 502954689 /nfs/dbraw/zinc/95/46/89/502954689.db2.gz JEGIVJWPLBRHNG-UTKZUKDTSA-N 1 3 369.509 3.048 20 0 FGADHO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000505632719 502954775 /nfs/dbraw/zinc/95/47/75/502954775.db2.gz JEGIVJWPLBRHNG-DYESRHJHSA-N 1 3 369.509 3.048 20 0 FGADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513672839 502997683 /nfs/dbraw/zinc/99/76/83/502997683.db2.gz MRURYTRNUXNNCY-QHAWAJNXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672839 502997687 /nfs/dbraw/zinc/99/76/87/502997687.db2.gz MRURYTRNUXNNCY-QHAWAJNXSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672839 502997691 /nfs/dbraw/zinc/99/76/91/502997691.db2.gz MRURYTRNUXNNCY-QHAWAJNXSA-N 1 3 357.542 3.182 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613658 502998738 /nfs/dbraw/zinc/99/87/38/502998738.db2.gz TVZKXLMJAALQSQ-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000513696848 503002775 /nfs/dbraw/zinc/00/27/75/503002775.db2.gz FHMBURLOFSQZTO-YPAWHYETSA-N 1 3 352.526 3.472 20 0 FGADHO CCc1cc(OC)ccc1C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000501456273 503013811 /nfs/dbraw/zinc/01/38/11/503013811.db2.gz SRYLTFRFXFZSFF-UHFFFAOYSA-N 1 3 359.558 3.298 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000509987545 503024413 /nfs/dbraw/zinc/02/44/13/503024413.db2.gz RTWOPGJJTNSOLZ-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000501525092 503028503 /nfs/dbraw/zinc/02/85/03/503028503.db2.gz ZIQWEZPMWGYLGU-DLBZAZTESA-N 1 3 362.518 3.011 20 0 FGADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000501525092 503028506 /nfs/dbraw/zinc/02/85/06/503028506.db2.gz ZIQWEZPMWGYLGU-DLBZAZTESA-N 1 3 362.518 3.011 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000489774580 503030947 /nfs/dbraw/zinc/03/09/47/503030947.db2.gz IZAIAPSLDOLFRY-ZCNNSNEGSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784563 503033762 /nfs/dbraw/zinc/03/37/62/503033762.db2.gz WOAFWZVKXJHKFE-GIVPXCGWSA-N 1 3 372.557 3.165 20 0 FGADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489794124 503036169 /nfs/dbraw/zinc/03/61/69/503036169.db2.gz SHIYNOGLIPLBBS-HBMCJLEFSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795876 503037177 /nfs/dbraw/zinc/03/71/77/503037177.db2.gz KTWZETFQISVKTI-QHAWAJNXSA-N 1 3 360.542 3.054 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489808568 503040066 /nfs/dbraw/zinc/04/00/66/503040066.db2.gz UKRKOWGTFANKBM-VAMGGRTRSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810464 503040683 /nfs/dbraw/zinc/04/06/83/503040683.db2.gz XCVAUIKKKBPMIT-HZEGPAAWSA-N 1 3 372.557 3.069 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000501601539 503046905 /nfs/dbraw/zinc/04/69/05/503046905.db2.gz KRJGRTIUPMBBBL-NRFANRHFSA-N 1 3 370.541 3.163 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000501601539 503046907 /nfs/dbraw/zinc/04/69/07/503046907.db2.gz KRJGRTIUPMBBBL-NRFANRHFSA-N 1 3 370.541 3.163 20 0 FGADHO CC(C)[C@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000501615329 503049546 /nfs/dbraw/zinc/04/95/46/503049546.db2.gz LVNYLFBNVBOVED-OAQYLSRUSA-N 1 3 372.557 3.267 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000501737547 503069260 /nfs/dbraw/zinc/06/92/60/503069260.db2.gz XIIOKZWIWFNXGL-SFHVURJKSA-N 1 3 355.473 3.022 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000514055846 503076514 /nfs/dbraw/zinc/07/65/14/503076514.db2.gz RHNLZAHSSMQZPA-QZTJIDSGSA-N 1 3 374.573 3.304 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCCCC1 ZINC000501783568 503079183 /nfs/dbraw/zinc/07/91/83/503079183.db2.gz DJLGTSSALAHJIM-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260149 503080387 /nfs/dbraw/zinc/08/03/87/503080387.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 1 3 357.542 3.278 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260149 503080392 /nfs/dbraw/zinc/08/03/92/503080392.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)C[C@H](C)O1 ZINC000514094779 503085723 /nfs/dbraw/zinc/08/57/23/503085723.db2.gz OOWRTWJTXCJAGC-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)C[C@H](C)O1 ZINC000514094779 503085727 /nfs/dbraw/zinc/08/57/27/503085727.db2.gz OOWRTWJTXCJAGC-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)C[C@H](C)O1 ZINC000514094779 503085730 /nfs/dbraw/zinc/08/57/30/503085730.db2.gz OOWRTWJTXCJAGC-UWZAIZGBSA-N 1 3 371.569 3.258 20 0 FGADHO COCc1ccccc1/C=C(/C)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000510391020 503105190 /nfs/dbraw/zinc/10/51/90/503105190.db2.gz GJIDIGOHBJALEX-MNDPQUGUSA-N 1 3 371.569 3.385 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186299 503107950 /nfs/dbraw/zinc/10/79/50/503107950.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000514186299 503107953 /nfs/dbraw/zinc/10/79/53/503107953.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 1 3 372.557 3.071 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000514669220 503163243 /nfs/dbraw/zinc/16/32/43/503163243.db2.gz WPRRWOPYAWOOML-FYYLOGMGSA-N 1 3 372.553 3.438 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@H]2CCCCN12 ZINC000510999102 503233288 /nfs/dbraw/zinc/23/32/88/503233288.db2.gz ORCXAENYSFCWGU-CSEOROSGSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@H]2CCCCN12 ZINC000510999102 503233290 /nfs/dbraw/zinc/23/32/90/503233290.db2.gz ORCXAENYSFCWGU-CSEOROSGSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H]2CCCCN12 ZINC000510999102 503233293 /nfs/dbraw/zinc/23/32/93/503233293.db2.gz ORCXAENYSFCWGU-CSEOROSGSA-N 1 3 367.537 3.030 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515088916 503268850 /nfs/dbraw/zinc/26/88/50/503268850.db2.gz CSWYZCGASXOITN-RTWAWAEBSA-N 1 3 369.509 3.358 20 0 FGADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000511224939 503282896 /nfs/dbraw/zinc/28/28/96/503282896.db2.gz WAVNVHIYHZXVOI-BIRYMOPTSA-N 1 3 358.526 3.327 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503286998 /nfs/dbraw/zinc/28/69/98/503286998.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 1 3 372.557 3.213 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503287004 /nfs/dbraw/zinc/28/70/04/503287004.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 1 3 372.557 3.213 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](O)C(F)(F)F ZINC000507510238 503311577 /nfs/dbraw/zinc/31/15/77/503311577.db2.gz MRMQYPRPESFUJT-SFFUCWETSA-N 1 3 356.432 3.188 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)CN(C)C ZINC000491573583 503319796 /nfs/dbraw/zinc/31/97/96/503319796.db2.gz SYPFODWSMLNJRD-HNNXBMFYSA-N 1 3 368.363 3.201 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322025 /nfs/dbraw/zinc/32/20/25/503322025.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322029 /nfs/dbraw/zinc/32/20/29/503322029.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000499093780 503332631 /nfs/dbraw/zinc/33/26/31/503332631.db2.gz MFNGLCRGLXBRIM-JPLJXNOCSA-N 1 3 360.546 3.158 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN2CCC1CC2)[NH2+][C@@H](C)c1ccccc1 ZINC000499196636 503353290 /nfs/dbraw/zinc/35/32/90/503353290.db2.gz WETRQPVCWHONTE-AZUAARDMSA-N 1 3 372.557 3.242 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811093 503406006 /nfs/dbraw/zinc/40/60/06/503406006.db2.gz OMYCLNHDIKUOBN-QAPCUYQASA-N 1 3 366.937 3.103 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000511924537 503417004 /nfs/dbraw/zinc/41/70/04/503417004.db2.gz VZIWYUZFYDMIFS-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000511924537 503417005 /nfs/dbraw/zinc/41/70/05/503417005.db2.gz VZIWYUZFYDMIFS-ROUUACIJSA-N 1 3 366.937 3.116 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000493911668 503456715 /nfs/dbraw/zinc/45/67/15/503456715.db2.gz HTIAVMXOZIBMKO-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000493911668 503456718 /nfs/dbraw/zinc/45/67/18/503456718.db2.gz HTIAVMXOZIBMKO-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNC/C=C/c2ccc(F)c(F)c2)c1 ZINC000512137201 503466512 /nfs/dbraw/zinc/46/65/12/503466512.db2.gz UMEMNZAMCVHVBS-GQCTYLIASA-N 1 3 373.447 3.059 20 0 FGADHO CCC(CC)CN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516267731 503486078 /nfs/dbraw/zinc/48/60/78/503486078.db2.gz LERDLUOOUHKQOS-UHFFFAOYSA-N 1 3 351.579 3.467 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000516328653 503495396 /nfs/dbraw/zinc/49/53/96/503495396.db2.gz AXFHDHJBLCNJQH-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422848 503546319 /nfs/dbraw/zinc/54/63/19/503546319.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422848 503546322 /nfs/dbraw/zinc/54/63/22/503546322.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702655 503547341 /nfs/dbraw/zinc/54/73/41/503547341.db2.gz WEPCCNRESVAODB-NXLVEIQXSA-N 1 3 373.585 3.374 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000500096776 503552846 /nfs/dbraw/zinc/55/28/46/503552846.db2.gz FIWDFLQQYLLHIF-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097410 503553168 /nfs/dbraw/zinc/55/31/68/503553168.db2.gz JKBGGSVRPRZURN-AQEOSJORSA-N 1 3 364.534 3.128 20 0 FGADHO C[C@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000500113460 503557068 /nfs/dbraw/zinc/55/70/68/503557068.db2.gz VCFVUVWWBDYDBC-VWEINGBSSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cncc(F)c3)CC2)c1 ZINC000494558747 503564293 /nfs/dbraw/zinc/56/42/93/503564293.db2.gz ASKDYJSQWDCEJW-UHFFFAOYSA-N 1 3 356.489 3.221 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000508849431 503576610 /nfs/dbraw/zinc/57/66/10/503576610.db2.gz BTTUVBLZRJOGQG-IZBJGVDFSA-N 1 3 360.546 3.192 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000508849431 503576613 /nfs/dbraw/zinc/57/66/13/503576613.db2.gz BTTUVBLZRJOGQG-IZBJGVDFSA-N 1 3 360.546 3.192 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)N(C)C ZINC000508891136 503590054 /nfs/dbraw/zinc/59/00/54/503590054.db2.gz ARUIOSUCCZJVOE-HKUYNNGSSA-N 1 3 360.546 3.017 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508896890 503593125 /nfs/dbraw/zinc/59/31/25/503593125.db2.gz MXHJLNZTQSYYCW-NSHGMRRFSA-N 1 3 360.546 3.112 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508896492 503593588 /nfs/dbraw/zinc/59/35/88/503593588.db2.gz MXHJLNZTQSYYCW-NLWGTHIKSA-N 1 3 360.546 3.112 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508904939 503596482 /nfs/dbraw/zinc/59/64/82/503596482.db2.gz JFFCHSNOMKDSGC-JBACZVJFSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601881 /nfs/dbraw/zinc/60/18/81/503601881.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 1 3 353.554 3.359 20 0 FGADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000500439236 503625766 /nfs/dbraw/zinc/62/57/66/503625766.db2.gz INCPOYCEVYVKHW-OAQYLSRUSA-N 1 3 354.494 3.114 20 0 FGADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000500439236 503625769 /nfs/dbraw/zinc/62/57/69/503625769.db2.gz INCPOYCEVYVKHW-OAQYLSRUSA-N 1 3 354.494 3.114 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719656 503679093 /nfs/dbraw/zinc/67/90/93/503679093.db2.gz NWELTCUUFSGFAQ-JOCHJYFZSA-N 1 3 369.553 3.422 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000540137805 503685174 /nfs/dbraw/zinc/68/51/74/503685174.db2.gz RDPOVVOIZXUWED-DENIHFKCSA-N 1 3 374.573 3.025 20 0 FGADHO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000540593406 503827180 /nfs/dbraw/zinc/82/71/80/503827180.db2.gz FLUPBIRXQUYGMH-JKSUJKDBSA-N 1 3 357.498 3.233 20 0 FGADHO C[NH+]1CCC2(CC1)C[C@H](NCCOCC(F)(F)F)c1ccccc1O2 ZINC000537192954 503835950 /nfs/dbraw/zinc/83/59/50/503835950.db2.gz IGIYEBLYGFVKBS-HNNXBMFYSA-N 1 3 358.404 3.143 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCCC1 ZINC000543645185 503840112 /nfs/dbraw/zinc/84/01/12/503840112.db2.gz ZINWNQJSCNBUFC-FXAWDEMLSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN(C)c2ccncc2)CC1 ZINC000543713128 503862702 /nfs/dbraw/zinc/86/27/02/503862702.db2.gz GZAYSSPJMVRKHL-SFHVURJKSA-N 1 3 366.509 3.250 20 0 FGADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707154 503862733 /nfs/dbraw/zinc/86/27/33/503862733.db2.gz PZUARTGCGUFUCL-XZOQPEGZSA-N 1 3 373.585 3.378 20 0 FGADHO CN(CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1)c1cc[nH+]cc1 ZINC000543714696 503864155 /nfs/dbraw/zinc/86/41/55/503864155.db2.gz BDGXOGHEYFYBGA-UHFFFAOYSA-N 1 3 366.509 3.031 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293538 503871523 /nfs/dbraw/zinc/87/15/23/503871523.db2.gz WAKVCMYSRBYSSS-ZIAGYGMSSA-N 1 3 363.889 3.324 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC)c1 ZINC000530213111 503879294 /nfs/dbraw/zinc/87/92/94/503879294.db2.gz VCMQRKMQZIRMKB-BAGYTPMASA-N 1 3 368.477 3.228 20 0 FGADHO COc1cccc([C@@H]2C[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2(C)C)c1 ZINC000530231701 503885079 /nfs/dbraw/zinc/88/50/79/503885079.db2.gz SUDYMVRAUKJDLD-FKBYEOEOSA-N 1 3 368.521 3.052 20 0 FGADHO COc1cccc([C@@H]2C[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2(C)C)c1 ZINC000530231701 503885081 /nfs/dbraw/zinc/88/50/81/503885081.db2.gz SUDYMVRAUKJDLD-FKBYEOEOSA-N 1 3 368.521 3.052 20 0 FGADHO COc1cccc([C@@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231701 503885083 /nfs/dbraw/zinc/88/50/83/503885083.db2.gz SUDYMVRAUKJDLD-FKBYEOEOSA-N 1 3 368.521 3.052 20 0 FGADHO c1ccc2c(c1)cccc2OCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238865 503888654 /nfs/dbraw/zinc/88/86/54/503888654.db2.gz DNHNOKFYCPXFRK-FQEVSTJZSA-N 1 3 354.494 3.309 20 0 FGADHO FC(F)(F)Oc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530242430 503890398 /nfs/dbraw/zinc/89/03/98/503890398.db2.gz SCTPATDYLPCRHV-QGZVFWFLSA-N 1 3 358.404 3.176 20 0 FGADHO Clc1cc(Cl)cc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530241793 503890784 /nfs/dbraw/zinc/89/07/84/503890784.db2.gz RKHWNMUOJMBTSL-KRWDZBQOSA-N 1 3 373.324 3.463 20 0 FGADHO Cc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000530248296 503894487 /nfs/dbraw/zinc/89/44/87/503894487.db2.gz IHAPCEQZGOOLEF-SFHVURJKSA-N 1 3 368.468 3.495 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518067823 503902437 /nfs/dbraw/zinc/90/24/37/503902437.db2.gz DKWYBOLPCCIGFN-GUDVDZBRSA-N 1 3 364.578 3.013 20 0 FGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518094712 503907135 /nfs/dbraw/zinc/90/71/35/503907135.db2.gz UQRZKPKPKHYAPS-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000543910046 503938151 /nfs/dbraw/zinc/93/81/51/503938151.db2.gz JIKVFFYJJBFWFW-XLIONFOSSA-N 1 3 364.578 3.013 20 0 FGADHO COc1ccc([C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc2)cc1 ZINC000537607064 503971294 /nfs/dbraw/zinc/97/12/94/503971294.db2.gz MGMUVELIJYMYTR-QHCPKHFHSA-N 1 3 367.537 3.402 20 0 FGADHO CN(C)c1ccccc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537622810 503980571 /nfs/dbraw/zinc/98/05/71/503980571.db2.gz LYUDFYIHLIFOPS-UHFFFAOYSA-N 1 3 372.601 3.381 20 0 FGADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OCC(C)C ZINC000537630159 503982899 /nfs/dbraw/zinc/98/28/99/503982899.db2.gz IPSDSVZKSXEXRF-UHFFFAOYSA-N 1 3 364.530 3.273 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000537647408 503990950 /nfs/dbraw/zinc/99/09/50/503990950.db2.gz LAWBKTUKQZZPBU-NRFANRHFSA-N 1 3 372.601 3.382 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516659 503995973 /nfs/dbraw/zinc/99/59/73/503995973.db2.gz GXGORJJQGOZYRO-WSTZPKSXSA-N 1 3 350.547 3.299 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612076 504027408 /nfs/dbraw/zinc/02/74/08/504027408.db2.gz XDKZIKXXMYDSSW-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO COc1ccc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000527990215 504028894 /nfs/dbraw/zinc/02/88/94/504028894.db2.gz LKBHBSKARZEOHS-GOSISDBHSA-N 1 3 353.510 3.318 20 0 FGADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528016723 504041380 /nfs/dbraw/zinc/04/13/80/504041380.db2.gz UTXADYRAPZVRMQ-PWRODBHTSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784204 504063222 /nfs/dbraw/zinc/06/32/22/504063222.db2.gz URRHRNFUGUJJTF-DENIHFKCSA-N 1 3 372.553 3.320 20 0 FGADHO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000544370498 504106110 /nfs/dbraw/zinc/10/61/10/504106110.db2.gz FVHVDRAEOOPVHT-RXVVDRJESA-N 1 3 357.542 3.428 20 0 FGADHO O=C(NC[C@H]1CCN1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284343 504146301 /nfs/dbraw/zinc/14/63/01/504146301.db2.gz AYZBRZHMUFSQCV-HXUWFJFHSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528287202 504148936 /nfs/dbraw/zinc/14/89/36/504148936.db2.gz IJTIQBZSPFYWLZ-FQEVSTJZSA-N 1 3 364.578 3.061 20 0 FGADHO Clc1cccc(-c2noc(CC[NH2+]C3CCN(CC4CC4)CC3)n2)c1 ZINC000538159092 504149587 /nfs/dbraw/zinc/14/95/87/504149587.db2.gz KJBVQAWMCSIXHN-UHFFFAOYSA-N 1 3 360.889 3.397 20 0 FGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600744 504269625 /nfs/dbraw/zinc/26/96/25/504269625.db2.gz PPFMTCCLKOTYNL-QUCCMNQESA-N 1 3 361.505 3.028 20 0 FGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600744 504269628 /nfs/dbraw/zinc/26/96/28/504269628.db2.gz PPFMTCCLKOTYNL-QUCCMNQESA-N 1 3 361.505 3.028 20 0 FGADHO Cc1ccc(CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000528596576 504289178 /nfs/dbraw/zinc/28/91/78/504289178.db2.gz YVTBFCWHWOMLJN-UHFFFAOYSA-N 1 3 357.542 3.339 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000519766097 504332807 /nfs/dbraw/zinc/33/28/07/504332807.db2.gz YDHOKNBBGFRVNM-OPYAIIAOSA-N 1 3 369.534 3.082 20 0 FGADHO COCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000548483918 504462800 /nfs/dbraw/zinc/46/28/00/504462800.db2.gz BAKZPPIXDRRGOB-GHTZIAJQSA-N 1 3 369.509 3.107 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507108 504471037 /nfs/dbraw/zinc/47/10/37/504471037.db2.gz STOVQALGIJYSII-QGZVFWFLSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507108 504471041 /nfs/dbraw/zinc/47/10/41/504471041.db2.gz STOVQALGIJYSII-QGZVFWFLSA-N 1 3 357.502 3.048 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548715159 504538252 /nfs/dbraw/zinc/53/82/52/504538252.db2.gz WKWLGEQHLJFOLH-UHFFFAOYSA-N 1 3 361.534 3.133 20 0 FGADHO CCN1CCC(n2nccc2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548715159 504538256 /nfs/dbraw/zinc/53/82/56/504538256.db2.gz WKWLGEQHLJFOLH-UHFFFAOYSA-N 1 3 361.534 3.133 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCN3C3CCCC3)ccc21 ZINC000529116503 504540808 /nfs/dbraw/zinc/54/08/08/504540808.db2.gz YJIOQESWUMZJTF-QUCCMNQESA-N 1 3 356.514 3.374 20 0 FGADHO C[N@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000520622069 504542921 /nfs/dbraw/zinc/54/29/21/504542921.db2.gz SCTICMKNSFQRNT-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000520622069 504542925 /nfs/dbraw/zinc/54/29/25/504542925.db2.gz SCTICMKNSFQRNT-UHFFFAOYSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000520782530 504580853 /nfs/dbraw/zinc/58/08/53/504580853.db2.gz SVTUTAUASGLRNM-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520794947 504584282 /nfs/dbraw/zinc/58/42/82/504584282.db2.gz MGRWWJARXIMDHM-GUDVDZBRSA-N 1 3 351.579 3.323 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520794947 504584285 /nfs/dbraw/zinc/58/42/85/504584285.db2.gz MGRWWJARXIMDHM-GUDVDZBRSA-N 1 3 351.579 3.323 20 0 FGADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(C)CC1 ZINC000520877161 504601383 /nfs/dbraw/zinc/60/13/83/504601383.db2.gz MIKSCXNDYNWOSZ-IBGZPJMESA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634093 /nfs/dbraw/zinc/63/40/93/504634093.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634097 /nfs/dbraw/zinc/63/40/97/504634097.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 1 3 372.557 3.099 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536170750 504656476 /nfs/dbraw/zinc/65/64/76/504656476.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 1 3 372.557 3.386 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536170750 504656481 /nfs/dbraw/zinc/65/64/81/504656481.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530708 504683665 /nfs/dbraw/zinc/68/36/65/504683665.db2.gz GNEZEUKLMFFHSW-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530708 504683669 /nfs/dbraw/zinc/68/36/69/504683669.db2.gz GNEZEUKLMFFHSW-JKSUJKDBSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861313 504720561 /nfs/dbraw/zinc/72/05/61/504720561.db2.gz KAIJTWXIHHXAQT-ROUUACIJSA-N 1 3 374.525 3.169 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000539890772 504731991 /nfs/dbraw/zinc/73/19/91/504731991.db2.gz MMINEEQLQZNTHB-UNMCSNQZSA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000539890772 504731992 /nfs/dbraw/zinc/73/19/92/504731992.db2.gz MMINEEQLQZNTHB-UNMCSNQZSA-N 1 3 357.542 3.220 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4[nH]ccc43)CC2)CC1 ZINC000553085385 504823676 /nfs/dbraw/zinc/82/36/76/504823676.db2.gz VSAYEEZNOIUZQW-UHFFFAOYSA-N 1 3 354.498 3.303 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000549590457 504856090 /nfs/dbraw/zinc/85/60/90/504856090.db2.gz HMOUFKPKUMRWJR-HXUWFJFHSA-N 1 3 374.573 3.270 20 0 FGADHO CC(CN1CCC[C@](CO)(C(C)C)C1)C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000559424517 504859360 /nfs/dbraw/zinc/85/93/60/504859360.db2.gz IXUIAZMPPRXKHY-VXKWHMMOSA-N 1 3 368.606 3.084 20 0 FGADHO CC(CN1CCC[C@](CO)(C(C)C)C1)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000559424517 504859363 /nfs/dbraw/zinc/85/93/63/504859363.db2.gz IXUIAZMPPRXKHY-VXKWHMMOSA-N 1 3 368.606 3.084 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000553268478 504869302 /nfs/dbraw/zinc/86/93/02/504869302.db2.gz NHPPDKMGBMXWTM-QFIPXVFZSA-N 1 3 369.553 3.450 20 0 FGADHO C[N@@H+]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732272 504917719 /nfs/dbraw/zinc/91/77/19/504917719.db2.gz FKDSTQSCDWRBBA-FGZHOGPDSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732272 504917724 /nfs/dbraw/zinc/91/77/24/504917724.db2.gz FKDSTQSCDWRBBA-FGZHOGPDSA-N 1 3 361.493 3.252 20 0 FGADHO Cc1ncccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000549881840 504924108 /nfs/dbraw/zinc/92/41/08/504924108.db2.gz AJBQZJUGUFUXME-QFIPXVFZSA-N 1 3 365.521 3.408 20 0 FGADHO Cc1cc(C)c(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1C ZINC000559876742 504942224 /nfs/dbraw/zinc/94/22/24/504942224.db2.gz CAJUWAIGMBQCTN-UHFFFAOYSA-N 1 3 352.526 3.309 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652273 504949761 /nfs/dbraw/zinc/94/97/61/504949761.db2.gz DKCKBMVHJAZSPQ-ZIAGYGMSSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877591 505003853 /nfs/dbraw/zinc/00/38/53/505003853.db2.gz HNROKGJRKKYUAU-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877591 505003858 /nfs/dbraw/zinc/00/38/58/505003858.db2.gz HNROKGJRKKYUAU-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000553770715 505004839 /nfs/dbraw/zinc/00/48/39/505004839.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000553770715 505004843 /nfs/dbraw/zinc/00/48/43/505004843.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 1 3 364.534 3.006 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000563054943 505034700 /nfs/dbraw/zinc/03/47/00/505034700.db2.gz CMXBVCWNXPUMTF-DYVFJYSZSA-N 1 3 371.447 3.345 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000557032536 505048827 /nfs/dbraw/zinc/04/88/27/505048827.db2.gz HZNNJGWTHYAIER-HNNXBMFYSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000557032536 505048832 /nfs/dbraw/zinc/04/88/32/505048832.db2.gz HZNNJGWTHYAIER-HNNXBMFYSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000553975773 505058139 /nfs/dbraw/zinc/05/81/39/505058139.db2.gz MQSYYZNHFKONOP-UGKGYDQZSA-N 1 3 371.569 3.272 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000550573185 505066670 /nfs/dbraw/zinc/06/66/70/505066670.db2.gz NGZMVYQYQGAXFH-MRXNPFEDSA-N 1 3 350.890 3.275 20 0 FGADHO O=C1C[C@H](C[NH2+]C2CCN(C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000557274391 505102716 /nfs/dbraw/zinc/10/27/16/505102716.db2.gz UMYBKNCJTVAISQ-LJQANCHMSA-N 1 3 355.526 3.032 20 0 FGADHO CN1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185392 505106816 /nfs/dbraw/zinc/10/68/16/505106816.db2.gz BOLZCCGXIVGVRC-OPYAIIAOSA-N 1 3 371.550 3.207 20 0 FGADHO C[C@@H](N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860292 505115059 /nfs/dbraw/zinc/11/50/59/505115059.db2.gz ITAJUWAORVVUFO-CRAIPNDOSA-N 1 3 353.466 3.426 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886557 505120758 /nfs/dbraw/zinc/12/07/58/505120758.db2.gz HMCFIZLOOWAUDF-QZTJIDSGSA-N 1 3 355.530 3.423 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886557 505120762 /nfs/dbraw/zinc/12/07/62/505120762.db2.gz HMCFIZLOOWAUDF-QZTJIDSGSA-N 1 3 355.530 3.423 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252192 505125334 /nfs/dbraw/zinc/12/53/34/505125334.db2.gz GXNGDLMZCCGBQT-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252192 505125338 /nfs/dbraw/zinc/12/53/38/505125338.db2.gz GXNGDLMZCCGBQT-RCCFBDPRSA-N 1 3 364.534 3.273 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563460786 505147005 /nfs/dbraw/zinc/14/70/05/505147005.db2.gz RKTAZOXLJXAXNC-FGZHOGPDSA-N 1 3 368.525 3.207 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000557615659 505182881 /nfs/dbraw/zinc/18/28/81/505182881.db2.gz WJUSPGQNIVYEQN-SLYNCCJLSA-N 1 3 361.574 3.362 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000557627991 505186370 /nfs/dbraw/zinc/18/63/70/505186370.db2.gz NPGZNSUJMSEQOB-RTWAWAEBSA-N 1 3 361.574 3.268 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481313 505187243 /nfs/dbraw/zinc/18/72/43/505187243.db2.gz GYGVOVZRJBKFBR-ZACQAIPSSA-N 1 3 369.431 3.056 20 0 FGADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000560897298 505208658 /nfs/dbraw/zinc/20/86/58/505208658.db2.gz BKHNROXBIGIQGN-QGZVFWFLSA-N 1 3 366.347 3.490 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000561193864 505276894 /nfs/dbraw/zinc/27/68/94/505276894.db2.gz PKHQRSDVAODAPR-HOJAQTOUSA-N 1 3 372.557 3.117 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882720 505288963 /nfs/dbraw/zinc/28/89/63/505288963.db2.gz NPUZIRLCERTMCI-IBGZPJMESA-N 1 3 363.594 3.103 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882720 505288966 /nfs/dbraw/zinc/28/89/66/505288966.db2.gz NPUZIRLCERTMCI-IBGZPJMESA-N 1 3 363.594 3.103 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+]CCC(=O)Nc3ccccc3)cc2)CC1 ZINC000566910088 505309107 /nfs/dbraw/zinc/30/91/07/505309107.db2.gz BCMLRMXXVKTILC-UHFFFAOYSA-N 1 3 367.493 3.278 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000558252911 505345204 /nfs/dbraw/zinc/34/52/04/505345204.db2.gz AUKZFTCWSZDSJC-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000558252911 505345210 /nfs/dbraw/zinc/34/52/10/505345210.db2.gz AUKZFTCWSZDSJC-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000558252911 505345213 /nfs/dbraw/zinc/34/52/13/505345213.db2.gz AUKZFTCWSZDSJC-WBADGQHESA-N 1 3 350.506 3.090 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)N(C)C)cc1 ZINC000567095033 505362842 /nfs/dbraw/zinc/36/28/42/505362842.db2.gz NMZFZRVBHPWXIH-LJQANCHMSA-N 1 3 370.472 3.204 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000558377026 505370821 /nfs/dbraw/zinc/37/08/21/505370821.db2.gz HOFCIAPDXFXOBJ-UHFFFAOYSA-N 1 3 360.546 3.156 20 0 FGADHO C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N1[C@H](C)CC[C@@H]1C ZINC000552025895 505374052 /nfs/dbraw/zinc/37/40/52/505374052.db2.gz PICFDUIWWZQAAN-HPFXQQBRSA-N 1 3 365.949 3.363 20 0 FGADHO CC[C@@H]1C[C@@H](CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147732 505376833 /nfs/dbraw/zinc/37/68/33/505376833.db2.gz YPMGXXYPLAVZOH-YTFSRNRJSA-N 1 3 371.569 3.084 20 0 FGADHO CC[C@@H]1C[C@@H](CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147732 505376837 /nfs/dbraw/zinc/37/68/37/505376837.db2.gz YPMGXXYPLAVZOH-YTFSRNRJSA-N 1 3 371.569 3.084 20 0 FGADHO CNC(=O)c1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383461 /nfs/dbraw/zinc/38/34/61/505383461.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 1 3 371.550 3.370 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383466 /nfs/dbraw/zinc/38/34/66/505383466.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 1 3 371.550 3.370 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637480 505396274 /nfs/dbraw/zinc/39/62/74/505396274.db2.gz FBYRPQQVOUZTOM-YJBOKZPZSA-N 1 3 368.953 3.362 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000567221097 505399037 /nfs/dbraw/zinc/39/90/37/505399037.db2.gz JUPQWAPPGFTJAV-JOCHJYFZSA-N 1 3 371.500 3.363 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000567221097 505399042 /nfs/dbraw/zinc/39/90/42/505399042.db2.gz JUPQWAPPGFTJAV-JOCHJYFZSA-N 1 3 371.500 3.363 20 0 FGADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000558592239 505432978 /nfs/dbraw/zinc/43/29/78/505432978.db2.gz KSLWGKUATMOJGB-OAHLLOKOSA-N 1 3 373.463 3.151 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000552245210 505439624 /nfs/dbraw/zinc/43/96/24/505439624.db2.gz VDFQGGSLBCPGRO-UHFFFAOYSA-N 1 3 369.509 3.203 20 0 FGADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552250239 505440504 /nfs/dbraw/zinc/44/05/04/505440504.db2.gz YZAWRCODWPZIJX-FDFHNCONSA-N 1 3 352.526 3.472 20 0 FGADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552251223 505441596 /nfs/dbraw/zinc/44/15/96/505441596.db2.gz OHOAJYMMSWYNDZ-PWRODBHTSA-N 1 3 357.542 3.135 20 0 FGADHO Cc1ccncc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000555612019 505475091 /nfs/dbraw/zinc/47/50/91/505475091.db2.gz GSPDCEUUPFODGT-JOCHJYFZSA-N 1 3 365.521 3.408 20 0 FGADHO C[C@H](CNC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000567678561 505533047 /nfs/dbraw/zinc/53/30/47/505533047.db2.gz WBURQCBQIPTJHH-JTDSTZFVSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)CN1CCCC1 ZINC000567678561 505533050 /nfs/dbraw/zinc/53/30/50/505533050.db2.gz WBURQCBQIPTJHH-JTDSTZFVSA-N 1 3 354.922 3.100 20 0 FGADHO C[C@H](OC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848452 505538044 /nfs/dbraw/zinc/53/80/44/505538044.db2.gz FEQFPELSACVEPC-JEDBISTDSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(Cl)cc1 ZINC000564848452 505538047 /nfs/dbraw/zinc/53/80/47/505538047.db2.gz FEQFPELSACVEPC-JEDBISTDSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@@H](OC[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000564864730 505543815 /nfs/dbraw/zinc/54/38/15/505543815.db2.gz SSTAENBSGZYMMM-APWZRJJASA-N 1 3 368.949 3.490 20 0 FGADHO C[C@@H](OC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(Cl)cc1 ZINC000564864730 505543816 /nfs/dbraw/zinc/54/38/16/505543816.db2.gz SSTAENBSGZYMMM-APWZRJJASA-N 1 3 368.949 3.490 20 0 FGADHO C[C@@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000582727857 506386066 /nfs/dbraw/zinc/38/60/66/506386066.db2.gz QGMKSKJEPXXQIC-AZUAARDMSA-N 1 3 372.557 3.172 20 0 FGADHO CC(C)(C)N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904261 506482002 /nfs/dbraw/zinc/48/20/02/506482002.db2.gz JBFNGVNTSFQUJI-RBUKOAKNSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)(C)N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904261 506482008 /nfs/dbraw/zinc/48/20/08/506482008.db2.gz JBFNGVNTSFQUJI-RBUKOAKNSA-N 1 3 355.526 3.173 20 0 FGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(I)cc1 ZINC000596651200 506511584 /nfs/dbraw/zinc/51/15/84/506511584.db2.gz BFOYLCBIXBYEPT-LSDHHAIUSA-N 1 3 358.267 3.083 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375816 506533552 /nfs/dbraw/zinc/53/35/52/506533552.db2.gz NDBLQXUVQHUUPM-KRWDZBQOSA-N 1 3 361.530 3.058 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000603593726 506569436 /nfs/dbraw/zinc/56/94/36/506569436.db2.gz XQNYUYYADBNWNN-IEBWSBKVSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000583091207 506584596 /nfs/dbraw/zinc/58/45/96/506584596.db2.gz LJNCFBCJTWEYAB-RXVVDRJESA-N 1 3 365.521 3.313 20 0 FGADHO CCN1CCN(CCC[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000583232464 506662498 /nfs/dbraw/zinc/66/24/98/506662498.db2.gz YPISGESBDGKQEV-MRXNPFEDSA-N 1 3 357.464 3.426 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000583348833 506730180 /nfs/dbraw/zinc/73/01/80/506730180.db2.gz HDIGZCMBQWLPKC-LSDHHAIUSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000583348833 506730181 /nfs/dbraw/zinc/73/01/81/506730181.db2.gz HDIGZCMBQWLPKC-LSDHHAIUSA-N 1 3 367.921 3.386 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000583348833 506730182 /nfs/dbraw/zinc/73/01/82/506730182.db2.gz HDIGZCMBQWLPKC-LSDHHAIUSA-N 1 3 367.921 3.386 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604170892 506733646 /nfs/dbraw/zinc/73/36/46/506733646.db2.gz DRBKYUHAXNMWBT-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590125976 506743872 /nfs/dbraw/zinc/74/38/72/506743872.db2.gz ZXVVIAUHXBUZPN-CQSZACIVSA-N 1 3 361.313 3.007 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193600 506745400 /nfs/dbraw/zinc/74/54/00/506745400.db2.gz BEXPVYRRFXAPDN-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604193600 506745404 /nfs/dbraw/zinc/74/54/04/506745404.db2.gz BEXPVYRRFXAPDN-TZIWHRDSSA-N 1 3 372.557 3.245 20 0 FGADHO COC(=O)c1ccc(Cl)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000597248296 506858514 /nfs/dbraw/zinc/85/85/14/506858514.db2.gz PJCBSZOMVRZULG-UHFFFAOYSA-N 1 3 350.890 3.338 20 0 FGADHO C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1)[C@H](C)c1nc2ccccc2s1 ZINC000583625873 506884216 /nfs/dbraw/zinc/88/42/16/506884216.db2.gz QHZLCAJAYMFNDT-STQMWFEESA-N 1 3 370.526 3.163 20 0 FGADHO CCC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000590637594 506891646 /nfs/dbraw/zinc/89/16/46/506891646.db2.gz WPYQJCVESCGWLN-PXNSSMCTSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000594133707 506965048 /nfs/dbraw/zinc/96/50/48/506965048.db2.gz TXMMZFCVPKFORZ-SBHAEUEKSA-N 1 3 372.557 3.386 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000591096976 507114233 /nfs/dbraw/zinc/11/42/33/507114233.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000591096976 507114236 /nfs/dbraw/zinc/11/42/36/507114236.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 1 3 357.542 3.409 20 0 FGADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239903 /nfs/dbraw/zinc/23/99/03/507239903.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239911 /nfs/dbraw/zinc/23/99/11/507239911.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000584290126 507261801 /nfs/dbraw/zinc/26/18/01/507261801.db2.gz FBIWUWLWGZUMND-NSHGMRRFSA-N 1 3 360.546 3.198 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591541850 507283451 /nfs/dbraw/zinc/28/34/51/507283451.db2.gz OGYUQDVZWNNZRD-SFTDATJTSA-N 1 3 374.573 3.271 20 0 FGADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000594942416 507324477 /nfs/dbraw/zinc/32/44/77/507324477.db2.gz IBUAVTMHCWFNFX-JSNNEVCYSA-N 1 3 356.510 3.074 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N2CCCC2)cc1 ZINC000601290607 507324687 /nfs/dbraw/zinc/32/46/87/507324687.db2.gz UESRKGUQGQTJBV-LEWJYISDSA-N 1 3 372.557 3.304 20 0 FGADHO COC(=O)CC1(CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398683 /nfs/dbraw/zinc/39/86/83/507398683.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 1 3 350.528 3.154 20 0 FGADHO COC(=O)CC1(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398688 /nfs/dbraw/zinc/39/86/88/507398688.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 1 3 350.528 3.154 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670688 507441181 /nfs/dbraw/zinc/44/11/81/507441181.db2.gz LSZDVFLECWJYKW-SEIRJHJZSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670688 507441188 /nfs/dbraw/zinc/44/11/88/507441188.db2.gz LSZDVFLECWJYKW-SEIRJHJZSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670688 507441196 /nfs/dbraw/zinc/44/11/96/507441196.db2.gz LSZDVFLECWJYKW-SEIRJHJZSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000595378065 507475519 /nfs/dbraw/zinc/47/55/19/507475519.db2.gz VOFFOIZNNMTXOR-LJQANCHMSA-N 1 3 373.541 3.156 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000595636284 507607095 /nfs/dbraw/zinc/60/70/95/507607095.db2.gz IPGRLGSSFORSGF-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000595636284 507607101 /nfs/dbraw/zinc/60/71/01/507607101.db2.gz IPGRLGSSFORSGF-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000607125427 507622953 /nfs/dbraw/zinc/62/29/53/507622953.db2.gz PMDXCFWVUACQKA-WIYYLYMNSA-N 1 3 357.542 3.230 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000607125427 507622963 /nfs/dbraw/zinc/62/29/63/507622963.db2.gz PMDXCFWVUACQKA-WIYYLYMNSA-N 1 3 357.542 3.230 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000643228246 568026849 /nfs/dbraw/zinc/02/68/49/568026849.db2.gz XNEYHUTXWDIVIA-MWXLCCTBSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419186 608329180 /nfs/dbraw/zinc/32/91/80/608329180.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419186 608329182 /nfs/dbraw/zinc/32/91/82/608329182.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@H+](CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)C ZINC000825419186 608329184 /nfs/dbraw/zinc/32/91/84/608329184.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)C ZINC000825419186 608329186 /nfs/dbraw/zinc/32/91/86/608329186.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 1 3 370.545 3.447 20 0 FGADHO CC1CCN(CCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177550575 705627624 /nfs/dbraw/zinc/62/76/24/705627624.db2.gz PIMQIBKNYSSGLW-UHFFFAOYSA-N 1 3 353.551 3.345 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893761 713660925 /nfs/dbraw/zinc/66/09/25/713660925.db2.gz TZTRQEDUBGROHT-YOEHRIQHSA-N 1 3 369.893 3.475 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553369 713985273 /nfs/dbraw/zinc/98/52/73/713985273.db2.gz HJZIVWUXYJKCIJ-BSDSXHPESA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553369 713985275 /nfs/dbraw/zinc/98/52/75/713985275.db2.gz HJZIVWUXYJKCIJ-BSDSXHPESA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553371 713985411 /nfs/dbraw/zinc/98/54/11/713985411.db2.gz HJZIVWUXYJKCIJ-MHORFTMASA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553371 713985412 /nfs/dbraw/zinc/98/54/12/713985412.db2.gz HJZIVWUXYJKCIJ-MHORFTMASA-N 1 3 351.535 3.381 20 0 FGADHO CCSc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523304545 714226223 /nfs/dbraw/zinc/22/62/23/714226223.db2.gz MATYHCSRANJBNP-UHFFFAOYSA-N 1 3 361.555 3.087 20 0 FGADHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1Cl ZINC000617507760 714663122 /nfs/dbraw/zinc/66/31/22/714663122.db2.gz IQBZDZXZPCOXNC-ZDUSSCGKSA-N 1 3 360.329 3.304 20 0 FGADHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1Cl ZINC000617507760 714663125 /nfs/dbraw/zinc/66/31/25/714663125.db2.gz IQBZDZXZPCOXNC-ZDUSSCGKSA-N 1 3 360.329 3.304 20 0 FGADHO CN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513044 715351771 /nfs/dbraw/zinc/35/17/71/715351771.db2.gz GWTKIBCJAUFLNK-QGZVFWFLSA-N 1 3 351.922 3.139 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132026 724394376 /nfs/dbraw/zinc/39/43/76/724394376.db2.gz XCTANHWIWKUYQI-ZWKOTPCHSA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132026 724394380 /nfs/dbraw/zinc/39/43/80/724394380.db2.gz XCTANHWIWKUYQI-ZWKOTPCHSA-N 1 3 353.551 3.344 20 0 FGADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(N)CCOCC1 ZINC000629523828 716302614 /nfs/dbraw/zinc/30/26/14/716302614.db2.gz JUHXOPXTZIQSIM-XHDPSFHLSA-N 1 3 371.344 3.330 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639041516 717507656 /nfs/dbraw/zinc/50/76/56/717507656.db2.gz LXZOPYGAOLXJQE-HIFRSBDPSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639041516 717507659 /nfs/dbraw/zinc/50/76/59/717507659.db2.gz LXZOPYGAOLXJQE-HIFRSBDPSA-N 1 3 368.319 3.158 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644583857 718128447 /nfs/dbraw/zinc/12/84/47/718128447.db2.gz ZIAQIMLUHZQALW-RRFJBIMHSA-N 1 3 361.313 3.196 20 0 FGADHO CSc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975970 718390971 /nfs/dbraw/zinc/39/09/71/718390971.db2.gz IHRCCDNWSIBMBO-BBWFWOEESA-N 1 3 361.555 3.447 20 0 FGADHO Cc1cc(Br)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651582466 718835117 /nfs/dbraw/zinc/83/51/17/718835117.db2.gz GMIPWZLIDISRDT-ZDUSSCGKSA-N 1 3 372.376 3.077 20 0 FGADHO CN(Cc1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619200 719048256 /nfs/dbraw/zinc/04/82/56/719048256.db2.gz BZSKMEWJJNDLGQ-GMAHTHKFSA-N 1 3 362.521 3.259 20 0 FGADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717918 719329438 /nfs/dbraw/zinc/32/94/38/719329438.db2.gz GANHAXIYXGDQQH-UXHICEINSA-N 1 3 365.949 3.176 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@@H](N(C)C)C2)cc1 ZINC000655805336 719342265 /nfs/dbraw/zinc/34/22/65/719342265.db2.gz LWISIRQJMAYUHA-PIKOESSRSA-N 1 3 364.555 3.010 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(N)CCCC1 ZINC000656789020 719471024 /nfs/dbraw/zinc/47/10/24/719471024.db2.gz IBSXRVKLPDNDNS-GFCCVEGCSA-N 1 3 359.392 3.163 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493309 719920184 /nfs/dbraw/zinc/92/01/84/719920184.db2.gz XYPHQXJCEQZSJP-MRXNPFEDSA-N 1 3 354.926 3.102 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091081 /nfs/dbraw/zinc/09/10/81/720091081.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091085 /nfs/dbraw/zinc/09/10/85/720091085.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 1 3 373.324 3.151 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC)c3Cl)CC2)CC1 ZINC000660835346 720131178 /nfs/dbraw/zinc/13/11/78/720131178.db2.gz VBDHRSXMSRURBH-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO C[C@@]1(C2CC2)CN(CCCCC[N@@H+]2CCO[C@](C)(C3CC3)C2)CCO1 ZINC000661166450 720200957 /nfs/dbraw/zinc/20/09/57/720200957.db2.gz AUJLBGFDGYXUMQ-SFTDATJTSA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@]1(C2CC2)CN(CCCCC[N@H+]2CCO[C@](C)(C3CC3)C2)CCO1 ZINC000661166450 720200960 /nfs/dbraw/zinc/20/09/60/720200960.db2.gz AUJLBGFDGYXUMQ-SFTDATJTSA-N 1 3 350.547 3.159 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC000662284229 720410022 /nfs/dbraw/zinc/41/00/22/720410022.db2.gz MDIMAQNVPYWDJV-PVAVHDDUSA-N 1 3 356.482 3.418 20 0 FGADHO C[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CCC[NH3+] ZINC000662318331 720414906 /nfs/dbraw/zinc/41/49/06/720414906.db2.gz YEPUQCRWCNKPQC-RHSMWYFYSA-N 1 3 361.921 3.475 20 0 FGADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc2c1CNC2 ZINC000662505546 720436269 /nfs/dbraw/zinc/43/62/69/720436269.db2.gz VQDHFECWCQQFJT-UHFFFAOYSA-N 1 3 357.420 3.026 20 0 FGADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663451459 720516358 /nfs/dbraw/zinc/51/63/58/720516358.db2.gz ROINEKKUYBCIMN-IRXDYDNUSA-N 1 3 364.559 3.011 20 0 FGADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663451459 720516360 /nfs/dbraw/zinc/51/63/60/720516360.db2.gz ROINEKKUYBCIMN-IRXDYDNUSA-N 1 3 364.559 3.011 20 0 FGADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663451457 720516391 /nfs/dbraw/zinc/51/63/91/720516391.db2.gz ROINEKKUYBCIMN-DLBZAZTESA-N 1 3 364.559 3.011 20 0 FGADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663451457 720516392 /nfs/dbraw/zinc/51/63/92/720516392.db2.gz ROINEKKUYBCIMN-DLBZAZTESA-N 1 3 364.559 3.011 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000666555799 720947430 /nfs/dbraw/zinc/94/74/30/720947430.db2.gz NJEJEUSAFPKBQY-NSHDSACASA-N 1 3 362.852 3.012 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000666555799 720947433 /nfs/dbraw/zinc/94/74/33/720947433.db2.gz NJEJEUSAFPKBQY-NSHDSACASA-N 1 3 362.852 3.012 20 0 FGADHO Clc1ccc(OC[C@@H]2CCCO2)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953955 721004607 /nfs/dbraw/zinc/00/46/07/721004607.db2.gz LUNQSKAIGFMGAT-FUHWJXTLSA-N 1 3 350.890 3.130 20 0 FGADHO Cc1cccc(N(c2cc(CN(C)C)ccn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777965 721329469 /nfs/dbraw/zinc/32/94/69/721329469.db2.gz RHKQDOHFUYIZJM-UNMCSNQZSA-N 1 3 366.509 3.111 20 0 FGADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000675175623 721735548 /nfs/dbraw/zinc/73/55/48/721735548.db2.gz HCSMUKLGBHXCAC-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(F)c(Cl)c3Cl)C2)CC1 ZINC000683340708 722291073 /nfs/dbraw/zinc/29/10/73/722291073.db2.gz FULRNMPLDRDXES-ZDUSSCGKSA-N 1 3 360.304 3.391 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000685454656 722385588 /nfs/dbraw/zinc/38/55/88/722385588.db2.gz NSWMXGIAIIKOGJ-UHFFFAOYSA-N 1 3 357.464 3.472 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000685454656 722385589 /nfs/dbraw/zinc/38/55/89/722385589.db2.gz NSWMXGIAIIKOGJ-UHFFFAOYSA-N 1 3 357.464 3.472 20 0 FGADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047062 722949675 /nfs/dbraw/zinc/94/96/75/722949675.db2.gz DRQDVXXRERREQB-KSZLIROESA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000802012047 724353741 /nfs/dbraw/zinc/35/37/41/724353741.db2.gz HQGLEZWDWRSPTC-MAUKXSAKSA-N 1 3 366.937 3.116 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417988 724911435 /nfs/dbraw/zinc/91/14/35/724911435.db2.gz LYSZACHECYFATI-OKILXGFUSA-N 1 3 357.340 3.030 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417988 724911436 /nfs/dbraw/zinc/91/14/36/724911436.db2.gz LYSZACHECYFATI-OKILXGFUSA-N 1 3 357.340 3.030 20 0 FGADHO CN1CCC[C@H](C[N@H+](C)C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053313 727027379 /nfs/dbraw/zinc/02/73/79/727027379.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 1 3 373.310 3.069 20 0 FGADHO CN1CCC[C@H](C[N@@H+](C)C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000815053313 727027381 /nfs/dbraw/zinc/02/73/81/727027381.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 1 3 373.310 3.069 20 0 FGADHO CC[NH+](CC)CCCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825412533 729382272 /nfs/dbraw/zinc/38/22/72/729382272.db2.gz QYMPLNVOGMXZMZ-UHFFFAOYSA-N 1 3 362.547 3.262 20 0 FGADHO CC[NH+](CC)CCCC1CC[NH+](Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825412533 729382273 /nfs/dbraw/zinc/38/22/73/729382273.db2.gz QYMPLNVOGMXZMZ-UHFFFAOYSA-N 1 3 362.547 3.262 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103212 729424292 /nfs/dbraw/zinc/42/42/92/729424292.db2.gz GUILKUUOSWDOMA-RDJZCZTQSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103212 729424293 /nfs/dbraw/zinc/42/42/93/729424293.db2.gz GUILKUUOSWDOMA-RDJZCZTQSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+](C(C)C)C(C)C)cc(Cl)n1 ZINC000830944289 729604590 /nfs/dbraw/zinc/60/45/90/729604590.db2.gz YXIUFBXFWUTYAD-MRXNPFEDSA-N 1 3 354.926 3.058 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566632 729814928 /nfs/dbraw/zinc/81/49/28/729814928.db2.gz PTLVZAFTUVTONT-BZSNNMDCSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399555 730615017 /nfs/dbraw/zinc/61/50/17/730615017.db2.gz KYYOJDWVIUMLJM-FGTMMUONSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399555 730615019 /nfs/dbraw/zinc/61/50/19/730615019.db2.gz KYYOJDWVIUMLJM-FGTMMUONSA-N 1 3 353.551 3.342 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399555 730615022 /nfs/dbraw/zinc/61/50/22/730615022.db2.gz KYYOJDWVIUMLJM-FGTMMUONSA-N 1 3 353.551 3.342 20 0 FGADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849050925 731224402 /nfs/dbraw/zinc/22/44/02/731224402.db2.gz OOQMLTQLVUDERW-AWEZNQCLSA-N 1 3 358.408 3.074 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057680 731224828 /nfs/dbraw/zinc/22/48/28/731224828.db2.gz IYUAPWFOJAVVHO-CYBMUJFWSA-N 1 3 365.934 3.090 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073300 731226149 /nfs/dbraw/zinc/22/61/49/731226149.db2.gz GHDKLIFSEWBXDM-OAHLLOKOSA-N 1 3 367.335 3.164 20 0 FGADHO C[C@]1(CNC(=[NH2+])NCCc2cccs2)CCCN1Cc1ccccc1 ZINC000849098300 731229052 /nfs/dbraw/zinc/22/90/52/731229052.db2.gz WHPVSMMHXFQFJO-HXUWFJFHSA-N 1 3 356.539 3.459 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108036 731230012 /nfs/dbraw/zinc/23/00/12/731230012.db2.gz VDAMUGVWBCNRDT-CJNGLKHVSA-N 1 3 356.436 3.407 20 0 FGADHO CCOC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000850456628 731358902 /nfs/dbraw/zinc/35/89/02/731358902.db2.gz ASXFINDMZTWGOE-VEZWFGLTSA-N 1 3 351.535 3.286 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853241464 731686712 /nfs/dbraw/zinc/68/67/12/731686712.db2.gz VMURLYDJISTQDW-RCCFBDPRSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853241464 731686713 /nfs/dbraw/zinc/68/67/13/731686713.db2.gz VMURLYDJISTQDW-RCCFBDPRSA-N 1 3 351.535 3.144 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241464 731686714 /nfs/dbraw/zinc/68/67/14/731686714.db2.gz VMURLYDJISTQDW-RCCFBDPRSA-N 1 3 351.535 3.144 20 0 FGADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490778 732220133 /nfs/dbraw/zinc/22/01/33/732220133.db2.gz OHNQKNNUDKJFGT-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CC(C)C[NH+]1CCC(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410140 733193555 /nfs/dbraw/zinc/19/35/55/733193555.db2.gz JWBJYQMFVAYACA-HNNXBMFYSA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865410140 733193558 /nfs/dbraw/zinc/19/35/58/733193558.db2.gz JWBJYQMFVAYACA-HNNXBMFYSA-N 1 3 363.493 3.245 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc(Cl)n1 ZINC000867988505 733542909 /nfs/dbraw/zinc/54/29/09/733542909.db2.gz NEKWLPUYYJOPHS-RDTXWAMCSA-N 1 3 358.873 3.259 20 0 FGADHO CCOc1cccc(F)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000873135462 735725058 /nfs/dbraw/zinc/72/50/58/735725058.db2.gz XLHPJVHCHNSCOV-UHFFFAOYSA-N 1 3 350.478 3.205 20 0 FGADHO CN1CCN(C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000879592696 737011975 /nfs/dbraw/zinc/01/19/75/737011975.db2.gz NNHNIYZVWMYTDR-UHFFFAOYSA-N 1 3 372.340 3.084 20 0 FGADHO CCOC(=O)c1csc(CC2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000880263245 737143840 /nfs/dbraw/zinc/14/38/40/737143840.db2.gz HTZMATLIYDMKBR-INIZCTEOSA-N 1 3 365.543 3.059 20 0 FGADHO F[C@H]1CC2(CC[C@@H]1N1CCC(C[NH+]3CCCCCC3)CC1)OCCO2 ZINC000891611734 739920579 /nfs/dbraw/zinc/92/05/79/739920579.db2.gz VDRFWAVRAUVFCU-OALUTQOASA-N 1 3 354.510 3.208 20 0 FGADHO CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)N1CCc2sccc2C1 ZINC000892854628 740050982 /nfs/dbraw/zinc/05/09/82/740050982.db2.gz VGESYOBOBVNFMS-HQSKLWIPSA-N 1 3 361.555 3.016 20 0 FGADHO CSCc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000893565086 742173791 /nfs/dbraw/zinc/17/37/91/742173791.db2.gz XHBXEQYQGLMCOU-UHFFFAOYSA-N 1 3 361.599 3.399 20 0 FGADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CCN1C ZINC000903270063 743832671 /nfs/dbraw/zinc/83/26/71/743832671.db2.gz CEJKJYHOPFXQQK-DZJNRPSUSA-N 1 3 355.448 3.122 20 0 FGADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000904459861 743956768 /nfs/dbraw/zinc/95/67/68/743956768.db2.gz ZALMLAHWOOWROO-GOSISDBHSA-N 1 3 357.523 3.487 20 0 FGADHO CCN(CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126713 757883730 /nfs/dbraw/zinc/88/37/30/757883730.db2.gz LLKHGRBEYYEXJH-SJORKVTESA-N 1 3 368.616 3.079 20 0 FGADHO CCN(CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126713 757883743 /nfs/dbraw/zinc/88/37/43/757883743.db2.gz LLKHGRBEYYEXJH-SJORKVTESA-N 1 3 368.616 3.079 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000918121129 758304653 /nfs/dbraw/zinc/30/46/53/758304653.db2.gz KZXBMUVFBHZGAW-AEFFLSMTSA-N 1 3 366.575 3.305 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386057 758909426 /nfs/dbraw/zinc/90/94/26/758909426.db2.gz DZKZXSQLQFMUKN-LUYZLQTOSA-N 1 3 373.360 3.080 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386057 758909429 /nfs/dbraw/zinc/90/94/29/758909429.db2.gz DZKZXSQLQFMUKN-LUYZLQTOSA-N 1 3 373.360 3.080 20 0 FGADHO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[C@@H](CC[NH3+])C1 ZINC000923488338 759130890 /nfs/dbraw/zinc/13/08/90/759130890.db2.gz RZYWAAGPKFLYHP-VXGBXAGGSA-N 1 3 354.376 3.487 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)cc(Cl)c1 ZINC000925850614 759558551 /nfs/dbraw/zinc/55/85/51/759558551.db2.gz KLZIKMIUPDWMKI-ABAIWWIYSA-N 1 3 357.281 3.329 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](O)C23CCOCC3)CC1 ZINC000927157829 759909276 /nfs/dbraw/zinc/90/92/76/759909276.db2.gz XVEVXEBVZMDAAM-ROUUACIJSA-N 1 3 352.563 3.185 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ccsc2)CC1 ZINC000998013177 765091231 /nfs/dbraw/zinc/09/12/31/765091231.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 1 3 363.571 3.291 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ccsc2)CC1 ZINC000998013177 765091237 /nfs/dbraw/zinc/09/12/37/765091237.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 1 3 363.571 3.291 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC001020170921 765866158 /nfs/dbraw/zinc/86/61/58/765866158.db2.gz DDCKRTOVFPBZST-RAEVTNRLSA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC001020170921 765866163 /nfs/dbraw/zinc/86/61/63/765866163.db2.gz DDCKRTOVFPBZST-RAEVTNRLSA-N 1 3 370.324 3.070 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001046334424 766587271 /nfs/dbraw/zinc/58/72/71/766587271.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001046334424 766587279 /nfs/dbraw/zinc/58/72/79/766587279.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 1 3 363.571 3.176 20 0 FGADHO Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1CCN(C3CC3)C1)CO2 ZINC000102421872 257350626 /nfs/dbraw/zinc/35/06/26/257350626.db2.gz SFESDXLGVJJLJE-CYBMUJFWSA-N 1 3 363.299 3.299 20 0 FGADHO C[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)CN(C)C ZINC000380101586 499543035 /nfs/dbraw/zinc/54/30/35/499543035.db2.gz XKJRLSLGPVSBRS-SNVBAGLBSA-N 1 3 364.125 3.499 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000573666832 505591830 /nfs/dbraw/zinc/59/18/30/505591830.db2.gz VXPHBSBIGAUDGL-INIZCTEOSA-N 1 3 374.529 3.191 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000573666832 505591834 /nfs/dbraw/zinc/59/18/34/505591834.db2.gz VXPHBSBIGAUDGL-INIZCTEOSA-N 1 3 374.529 3.191 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000576898305 505619371 /nfs/dbraw/zinc/61/93/71/505619371.db2.gz DSRDGSRZLMKASB-NQIIRXRSSA-N 1 3 374.573 3.440 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000576898305 505619374 /nfs/dbraw/zinc/61/93/74/505619374.db2.gz DSRDGSRZLMKASB-NQIIRXRSSA-N 1 3 374.573 3.440 20 0 FGADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573839711 505633069 /nfs/dbraw/zinc/63/30/69/505633069.db2.gz GLBJAZWKCIYHFN-IEBWSBKVSA-N 1 3 361.555 3.124 20 0 FGADHO CSc1ccc(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000574019064 505675315 /nfs/dbraw/zinc/67/53/15/505675315.db2.gz AOAURPLYLZSQAB-GOSISDBHSA-N 1 3 366.571 3.200 20 0 FGADHO CSc1ccc(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000574019064 505675319 /nfs/dbraw/zinc/67/53/19/505675319.db2.gz AOAURPLYLZSQAB-GOSISDBHSA-N 1 3 366.571 3.200 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000047978699 493768281 /nfs/dbraw/zinc/76/82/81/493768281.db2.gz TVWINQMTJUYAOD-GOSISDBHSA-N 1 3 372.557 3.202 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000047978699 493768283 /nfs/dbraw/zinc/76/82/83/493768283.db2.gz TVWINQMTJUYAOD-GOSISDBHSA-N 1 3 372.557 3.202 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000081156061 493839317 /nfs/dbraw/zinc/83/93/17/493839317.db2.gz IRVWNLGDECVGEK-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000571224054 505683639 /nfs/dbraw/zinc/68/36/39/505683639.db2.gz PEIQWBQZTOKJOZ-UHFFFAOYSA-N 1 3 371.569 3.458 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330842 493866816 /nfs/dbraw/zinc/86/68/16/493866816.db2.gz GUVYRWAFCYXHOR-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330842 493866820 /nfs/dbraw/zinc/86/68/20/493866820.db2.gz GUVYRWAFCYXHOR-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CC(C)c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797772 493935446 /nfs/dbraw/zinc/93/54/46/493935446.db2.gz IOPHTZMKUDOROX-UHFFFAOYSA-N 1 3 371.569 3.417 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000060546921 493943589 /nfs/dbraw/zinc/94/35/89/493943589.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000060546921 493943593 /nfs/dbraw/zinc/94/35/93/493943593.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[NH+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)C ZINC000060955432 493960756 /nfs/dbraw/zinc/96/07/56/493960756.db2.gz SJJXXLZRIRYRQA-UHFFFAOYSA-N 1 3 374.573 3.241 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000051759063 493985304 /nfs/dbraw/zinc/98/53/04/493985304.db2.gz DTODBVITXUVMQZ-OAQYLSRUSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nnc2ccccn21 ZINC000577265880 505697771 /nfs/dbraw/zinc/69/77/71/505697771.db2.gz CPJGSFDNEDGMBI-LJQANCHMSA-N 1 3 350.470 3.080 20 0 FGADHO C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)(C)C[NH+](C)C ZINC000085387477 494118827 /nfs/dbraw/zinc/11/88/27/494118827.db2.gz STEPAXXIZWRKPP-CVEARBPZSA-N 1 3 366.575 3.161 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000571313484 505704600 /nfs/dbraw/zinc/70/46/00/505704600.db2.gz CGHSYTPEXQYWJU-FQEVSTJZSA-N 1 3 352.482 3.240 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718329 494264612 /nfs/dbraw/zinc/26/46/12/494264612.db2.gz YJPNKPYRZDKPCA-AZUAARDMSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231290 494277208 /nfs/dbraw/zinc/27/72/08/494277208.db2.gz ZPJQUTFCAUIHRI-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231290 494277213 /nfs/dbraw/zinc/27/72/13/494277213.db2.gz ZPJQUTFCAUIHRI-SJORKVTESA-N 1 3 364.559 3.059 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523138 494313448 /nfs/dbraw/zinc/31/34/48/494313448.db2.gz SSCZEDVZGLAYOW-QUCCMNQESA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523138 494313452 /nfs/dbraw/zinc/31/34/52/494313452.db2.gz SSCZEDVZGLAYOW-QUCCMNQESA-N 1 3 360.546 3.017 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259589 505715073 /nfs/dbraw/zinc/71/50/73/505715073.db2.gz OUEPKVQQWNKHOU-OAQYLSRUSA-N 1 3 369.557 3.233 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259589 505715074 /nfs/dbraw/zinc/71/50/74/505715074.db2.gz OUEPKVQQWNKHOU-OAQYLSRUSA-N 1 3 369.557 3.233 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C2CCCCC2)CC1 ZINC000073567971 494392234 /nfs/dbraw/zinc/39/22/34/494392234.db2.gz JQRVMUHCOBQKDQ-UHFFFAOYSA-N 1 3 372.557 3.329 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000073967686 494457824 /nfs/dbraw/zinc/45/78/24/494457824.db2.gz NHXJMEQINSRSJT-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000074104299 494482010 /nfs/dbraw/zinc/48/20/10/494482010.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000074104299 494482015 /nfs/dbraw/zinc/48/20/15/494482015.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 1 3 372.557 3.023 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000074210888 494498432 /nfs/dbraw/zinc/49/84/32/494498432.db2.gz HYWBXVOXBPVEDQ-MJGOQNOKSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074265200 494507060 /nfs/dbraw/zinc/50/70/60/494507060.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074265200 494507063 /nfs/dbraw/zinc/50/70/63/494507063.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046313279 494514313 /nfs/dbraw/zinc/51/43/13/494514313.db2.gz GMHGKAZFGYERPQ-FQEVSTJZSA-N 1 3 360.546 3.058 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000056523099 494519615 /nfs/dbraw/zinc/51/96/15/494519615.db2.gz NVYTWABNCQHYCC-FQEVSTJZSA-N 1 3 362.558 3.388 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000080078243 494586918 /nfs/dbraw/zinc/58/69/18/494586918.db2.gz PDQYAGIDZODRLJ-UHFFFAOYSA-N 1 3 374.573 3.306 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095250 494591953 /nfs/dbraw/zinc/59/19/53/494591953.db2.gz MAOMGJMXDRQQDL-DYXWJJEUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080114997 494603101 /nfs/dbraw/zinc/60/31/01/494603101.db2.gz YTUYTPDWXMVUKJ-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107834329 494608245 /nfs/dbraw/zinc/60/82/45/494608245.db2.gz JQENCAGHMIWAES-SBHAEUEKSA-N 1 3 374.573 3.347 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153717 494615922 /nfs/dbraw/zinc/61/59/22/494615922.db2.gz OHNGXOFVUJLHTD-WIYYLYMNSA-N 1 3 372.557 3.213 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000121166473 494628003 /nfs/dbraw/zinc/62/80/03/494628003.db2.gz DLPBTJDANRXITB-CVEARBPZSA-N 1 3 368.363 3.373 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000107982923 494631891 /nfs/dbraw/zinc/63/18/91/494631891.db2.gz SWTQORAUCZVSMV-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(CO)c3)cc2)CC1 ZINC000121268068 494673896 /nfs/dbraw/zinc/67/38/96/494673896.db2.gz KWASWXVPCZWPCD-LJQANCHMSA-N 1 3 367.537 3.167 20 0 FGADHO COc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587377 494677122 /nfs/dbraw/zinc/67/71/22/494677122.db2.gz UBMPVBFAMULBRU-CALCHBBNSA-N 1 3 362.514 3.025 20 0 FGADHO COc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587377 494677133 /nfs/dbraw/zinc/67/71/33/494677133.db2.gz UBMPVBFAMULBRU-CALCHBBNSA-N 1 3 362.514 3.025 20 0 FGADHO CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000574273964 505735609 /nfs/dbraw/zinc/73/56/09/505735609.db2.gz XORNZRHSKGZYTE-KRWDZBQOSA-N 1 3 353.510 3.420 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075158496 494699193 /nfs/dbraw/zinc/69/91/93/494699193.db2.gz QDJTXXLPBDSLHF-INIZCTEOSA-N 1 3 357.498 3.441 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075158496 494699202 /nfs/dbraw/zinc/69/92/02/494699202.db2.gz QDJTXXLPBDSLHF-INIZCTEOSA-N 1 3 357.498 3.441 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693455 494714769 /nfs/dbraw/zinc/71/47/69/494714769.db2.gz WLNUAMQVDOAHGG-FQEVSTJZSA-N 1 3 358.530 3.021 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000126770058 494835217 /nfs/dbraw/zinc/83/52/17/494835217.db2.gz XRFIXGIDMPSBQN-LJQANCHMSA-N 1 3 365.949 3.478 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746095 /nfs/dbraw/zinc/74/60/95/505746095.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 1 3 350.462 3.369 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746099 /nfs/dbraw/zinc/74/60/99/505746099.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 1 3 350.462 3.369 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)CC(C)C ZINC000109482040 494881322 /nfs/dbraw/zinc/88/13/22/494881322.db2.gz VKMZBNZKAGALAJ-SFHVURJKSA-N 1 3 354.583 3.259 20 0 FGADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000121905887 494886875 /nfs/dbraw/zinc/88/68/75/494886875.db2.gz CFJVHXBVXRAFCJ-LJQANCHMSA-N 1 3 365.949 3.479 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907113 /nfs/dbraw/zinc/90/71/13/494907113.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 1 3 362.514 3.017 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907117 /nfs/dbraw/zinc/90/71/17/494907117.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 1 3 362.514 3.017 20 0 FGADHO CCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735188 494914950 /nfs/dbraw/zinc/91/49/50/494914950.db2.gz VMEXASVOKSOGBM-UHFFFAOYSA-N 1 3 362.514 3.171 20 0 FGADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000109786909 494918197 /nfs/dbraw/zinc/91/81/97/494918197.db2.gz AUJSGNUTRWUWLD-HXUWFJFHSA-N 1 3 356.510 3.386 20 0 FGADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000109786909 494918199 /nfs/dbraw/zinc/91/81/99/494918199.db2.gz AUJSGNUTRWUWLD-HXUWFJFHSA-N 1 3 356.510 3.386 20 0 FGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000127485746 494951764 /nfs/dbraw/zinc/95/17/64/494951764.db2.gz ZRSFTKFLDYLCJX-OAQYLSRUSA-N 1 3 372.557 3.304 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190865 495058572 /nfs/dbraw/zinc/05/85/72/495058572.db2.gz GJFDVVRDYDCWRJ-XJKSGUPXSA-N 1 3 367.946 3.054 20 0 FGADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1 ZINC000101586803 495082708 /nfs/dbraw/zinc/08/27/08/495082708.db2.gz DHANGZXNMWBJKA-UHFFFAOYSA-N 1 3 351.494 3.312 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133950056 495085581 /nfs/dbraw/zinc/08/55/81/495085581.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 1 3 372.601 3.427 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000133950056 495085585 /nfs/dbraw/zinc/08/55/85/495085585.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 1 3 372.601 3.427 20 0 FGADHO Cc1noc(C)c1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134044316 495097957 /nfs/dbraw/zinc/09/79/57/495097957.db2.gz KGUZKAGPZKDCSG-UHFFFAOYSA-N 1 3 356.514 3.154 20 0 FGADHO Cc1noc(C)c1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134044316 495097960 /nfs/dbraw/zinc/09/79/60/495097960.db2.gz KGUZKAGPZKDCSG-UHFFFAOYSA-N 1 3 356.514 3.154 20 0 FGADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)NC1CCCCC1 ZINC000128674265 495133934 /nfs/dbraw/zinc/13/39/34/495133934.db2.gz JTTTXLDKHWEOCE-UHFFFAOYSA-N 1 3 357.542 3.122 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123472875 495137717 /nfs/dbraw/zinc/13/77/17/495137717.db2.gz ZCJPNCCSTHQJID-KRWDZBQOSA-N 1 3 363.521 3.399 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119425568 495164885 /nfs/dbraw/zinc/16/48/85/495164885.db2.gz BQCJEXPOERXPOK-ZIAGYGMSSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119425568 495164888 /nfs/dbraw/zinc/16/48/88/495164888.db2.gz BQCJEXPOERXPOK-ZIAGYGMSSA-N 1 3 369.431 3.496 20 0 FGADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215958 /nfs/dbraw/zinc/21/59/58/495215958.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 1 3 357.542 3.379 20 0 FGADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215961 /nfs/dbraw/zinc/21/59/61/495215961.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 1 3 357.542 3.379 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Cl ZINC000129862201 495306321 /nfs/dbraw/zinc/30/63/21/495306321.db2.gz ZGMXIDFQQYVVTP-OAHLLOKOSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Cl ZINC000129862201 495306324 /nfs/dbraw/zinc/30/63/24/495306324.db2.gz ZGMXIDFQQYVVTP-OAHLLOKOSA-N 1 3 352.910 3.220 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104805481 495307889 /nfs/dbraw/zinc/30/78/89/495307889.db2.gz CROHNTVHADPGLJ-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104805481 495307891 /nfs/dbraw/zinc/30/78/91/495307891.db2.gz CROHNTVHADPGLJ-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CCC(CC)(CNC(=O)NC1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000113579298 495317167 /nfs/dbraw/zinc/31/71/67/495317167.db2.gz ZRVAIMWAYKTUJY-KRWDZBQOSA-N 1 3 360.546 3.289 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083254 495335355 /nfs/dbraw/zinc/33/53/55/495335355.db2.gz LVMMHAKGRMHYQY-PZJWPPBQSA-N 1 3 374.573 3.271 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083254 495335357 /nfs/dbraw/zinc/33/53/57/495335357.db2.gz LVMMHAKGRMHYQY-PZJWPPBQSA-N 1 3 374.573 3.271 20 0 FGADHO COC(=O)c1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000130102430 495341647 /nfs/dbraw/zinc/34/16/47/495341647.db2.gz KDFXVZREIXKTIA-UHFFFAOYSA-N 1 3 371.456 3.356 20 0 FGADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000114455635 495376576 /nfs/dbraw/zinc/37/65/76/495376576.db2.gz MFSBCUNLMFSYQI-JOCHJYFZSA-N 1 3 371.569 3.245 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1 ZINC000125335527 495428100 /nfs/dbraw/zinc/42/81/00/495428100.db2.gz AXXOWFCCWDLROM-NHCUHLMSSA-N 1 3 370.585 3.112 20 0 FGADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000137465193 495441820 /nfs/dbraw/zinc/44/18/20/495441820.db2.gz RIJVMZWNTDOBGM-UWJYYQICSA-N 1 3 351.494 3.141 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895456 495515181 /nfs/dbraw/zinc/51/51/81/495515181.db2.gz HVZCQQWSXVBPAK-ZIAGYGMSSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000176217995 495551013 /nfs/dbraw/zinc/55/10/13/495551013.db2.gz OTDGXBHJGVIBKC-INIZCTEOSA-N 1 3 369.509 3.211 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)s1 ZINC000154360390 495592257 /nfs/dbraw/zinc/59/22/57/495592257.db2.gz TYGVRCAPUSJVQE-CYBMUJFWSA-N 1 3 360.365 3.189 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154483014 495630302 /nfs/dbraw/zinc/63/03/02/495630302.db2.gz YVIUCBNSCBTWBD-MRXNPFEDSA-N 1 3 355.473 3.356 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000574531122 505794079 /nfs/dbraw/zinc/79/40/79/505794079.db2.gz LYKPTXKYRFSVML-AGIUHOORSA-N 1 3 362.827 3.192 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275487 495700173 /nfs/dbraw/zinc/70/01/73/495700173.db2.gz AYJSEKQGHAEWIU-LJQANCHMSA-N 1 3 357.542 3.137 20 0 FGADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000173878338 495728732 /nfs/dbraw/zinc/72/87/32/495728732.db2.gz KOFRCUQFJCHOKQ-KNQAVFIVSA-N 1 3 369.553 3.378 20 0 FGADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000173878338 495728739 /nfs/dbraw/zinc/72/87/39/495728739.db2.gz KOFRCUQFJCHOKQ-KNQAVFIVSA-N 1 3 369.553 3.378 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000568903313 505805205 /nfs/dbraw/zinc/80/52/05/505805205.db2.gz DAKIZANORJAKIB-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000183126567 495845394 /nfs/dbraw/zinc/84/53/94/495845394.db2.gz HYDIJNPXJDXMFD-GPJHCHHRSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000174413739 495948792 /nfs/dbraw/zinc/94/87/92/495948792.db2.gz PNKWYRULVBEKNI-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000174413739 495948798 /nfs/dbraw/zinc/94/87/98/495948798.db2.gz PNKWYRULVBEKNI-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO CN(CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556746 495993989 /nfs/dbraw/zinc/99/39/89/495993989.db2.gz HEQZJNUBRJBXDO-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO CC(C)N1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000180457905 496003915 /nfs/dbraw/zinc/00/39/15/496003915.db2.gz JZSFDFQJNRBNHT-HXUWFJFHSA-N 1 3 365.949 3.176 20 0 FGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000177454564 496067755 /nfs/dbraw/zinc/06/77/55/496067755.db2.gz DYYKBNRNPRDKJG-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000568974457 505822681 /nfs/dbraw/zinc/82/26/81/505822681.db2.gz ZCKZSJHKSTXREB-GHTZIAJQSA-N 1 3 368.525 3.413 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)CC1 ZINC000156058637 496146465 /nfs/dbraw/zinc/14/64/65/496146465.db2.gz UFFGXWBCOIYTKY-HXUWFJFHSA-N 1 3 357.542 3.332 20 0 FGADHO CN(C)Cc1cccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000156218240 496190582 /nfs/dbraw/zinc/19/05/82/496190582.db2.gz RHWOIILGVYHQBQ-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OCCN(C)C)c1 ZINC000156232661 496193906 /nfs/dbraw/zinc/19/39/06/496193906.db2.gz VZEIZMATAFXDPM-GOSISDBHSA-N 1 3 368.525 3.342 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000177851241 496223466 /nfs/dbraw/zinc/22/34/66/496223466.db2.gz KECHYYFNYGUTMM-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000177851241 496223471 /nfs/dbraw/zinc/22/34/71/496223471.db2.gz KECHYYFNYGUTMM-WMZOPIPTSA-N 1 3 366.575 3.114 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000156498129 496262049 /nfs/dbraw/zinc/26/20/49/496262049.db2.gz IKZMMVYQHZGNRG-QGZVFWFLSA-N 1 3 369.509 3.228 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccncc3OCCN(C)C)CC2)C1 ZINC000571886426 505838180 /nfs/dbraw/zinc/83/81/80/505838180.db2.gz UHTZETYFDFNDHR-NQIIRXRSSA-N 1 3 374.573 3.155 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000181299184 496345025 /nfs/dbraw/zinc/34/50/25/496345025.db2.gz VEVXRQBDXWEEOP-GOSISDBHSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]([NH3+])c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000178200304 496367608 /nfs/dbraw/zinc/36/76/08/496367608.db2.gz BDNAZHLJYWMLCJ-SFHVURJKSA-N 1 3 366.509 3.247 20 0 FGADHO CC[C@H](C)[C@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000175412905 496380736 /nfs/dbraw/zinc/38/07/36/496380736.db2.gz LGXJKMVRQQAKEF-IRXDYDNUSA-N 1 3 364.578 3.154 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000184497299 496411379 /nfs/dbraw/zinc/41/13/79/496411379.db2.gz ABQDKFDMCWFALK-SJORKVTESA-N 1 3 367.559 3.363 20 0 FGADHO C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(CN2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844624 /nfs/dbraw/zinc/84/46/24/505844624.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 1 3 366.933 3.034 20 0 FGADHO C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(CN2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844627 /nfs/dbraw/zinc/84/46/27/505844627.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 1 3 366.933 3.034 20 0 FGADHO C[C@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844631 /nfs/dbraw/zinc/84/46/31/505844631.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 1 3 366.933 3.034 20 0 FGADHO C[C@]1(CO)CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844636 /nfs/dbraw/zinc/84/46/36/505844636.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 1 3 366.933 3.034 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000187455252 496448895 /nfs/dbraw/zinc/44/88/95/496448895.db2.gz NYNFNWLSNRHYEG-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000187455252 496448899 /nfs/dbraw/zinc/44/88/99/496448899.db2.gz NYNFNWLSNRHYEG-QFIPXVFZSA-N 1 3 365.521 3.389 20 0 FGADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000181708091 496511124 /nfs/dbraw/zinc/51/11/24/496511124.db2.gz WWJJSTAUUZSQLC-LEWJYISDSA-N 1 3 360.542 3.327 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000175770762 496538487 /nfs/dbraw/zinc/53/84/87/496538487.db2.gz KAVBJNBAUZAEBT-OKZBNKHCSA-N 1 3 366.575 3.303 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+][C@H]3CCN(C4CCCC4)C3)CC2)cc1 ZINC000153732158 496561719 /nfs/dbraw/zinc/56/17/19/496561719.db2.gz YSJBQEGRCYMFHR-NRFANRHFSA-N 1 3 359.533 3.439 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C12CCCC2 ZINC000181827511 496562367 /nfs/dbraw/zinc/56/23/67/496562367.db2.gz AGXITCPNSOIWQL-WOJBJXKFSA-N 1 3 363.590 3.264 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C12CCCC2 ZINC000181827527 496562778 /nfs/dbraw/zinc/56/27/78/496562778.db2.gz AGXITCPNSOIWQL-UXHICEINSA-N 1 3 363.590 3.264 20 0 FGADHO CCn1cc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000163926471 496570551 /nfs/dbraw/zinc/57/05/51/496570551.db2.gz HQXWXHYEZUCGHW-HXUWFJFHSA-N 1 3 369.557 3.152 20 0 FGADHO N[C@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178817854 496583175 /nfs/dbraw/zinc/58/31/75/496583175.db2.gz VSYBWZGTDGFOTE-OAQYLSRUSA-N 1 3 351.494 3.105 20 0 FGADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917870 496616366 /nfs/dbraw/zinc/61/63/66/496616366.db2.gz QRIXIDJCUGJNQX-NRFANRHFSA-N 1 3 357.542 3.404 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000164546566 496618423 /nfs/dbraw/zinc/61/84/23/496618423.db2.gz YTCZTBYJGUKGSF-SFHVURJKSA-N 1 3 357.542 3.101 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740334 496629968 /nfs/dbraw/zinc/62/99/68/496629968.db2.gz CNXIEQANYBSWOZ-SZXPJGKVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740334 496629970 /nfs/dbraw/zinc/62/99/70/496629970.db2.gz CNXIEQANYBSWOZ-SZXPJGKVSA-N 1 3 366.347 3.346 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC000164904161 496638826 /nfs/dbraw/zinc/63/88/26/496638826.db2.gz LSMXVTHATLYIHQ-QAPCUYQASA-N 1 3 351.560 3.273 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000164948173 496640803 /nfs/dbraw/zinc/64/08/03/496640803.db2.gz VKFGXQNYVZWOBT-FCHUYYIVSA-N 1 3 365.521 3.420 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967410 496738356 /nfs/dbraw/zinc/73/83/56/496738356.db2.gz IYWOJRSXHVGZOV-NVXWUHKLSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967410 496738358 /nfs/dbraw/zinc/73/83/58/496738358.db2.gz IYWOJRSXHVGZOV-NVXWUHKLSA-N 1 3 351.922 3.008 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967410 496738362 /nfs/dbraw/zinc/73/83/62/496738362.db2.gz IYWOJRSXHVGZOV-NVXWUHKLSA-N 1 3 351.922 3.008 20 0 FGADHO C[C@H]1C[C@H](NCc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750995 496773147 /nfs/dbraw/zinc/77/31/47/496773147.db2.gz HRNLSBPDPVAETF-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@H](NCc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750995 496773155 /nfs/dbraw/zinc/77/31/55/496773155.db2.gz HRNLSBPDPVAETF-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO COc1ccccc1CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191471780 496774709 /nfs/dbraw/zinc/77/47/09/496774709.db2.gz HNYWGDVHAMNMNJ-UHFFFAOYSA-N 1 3 373.585 3.366 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769709 496780234 /nfs/dbraw/zinc/78/02/34/496780234.db2.gz DNKZCIRMQAZSBA-HFSMHLIXSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769709 496780239 /nfs/dbraw/zinc/78/02/39/496780239.db2.gz DNKZCIRMQAZSBA-HFSMHLIXSA-N 1 3 354.494 3.371 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000273347778 496780658 /nfs/dbraw/zinc/78/06/58/496780658.db2.gz CBRAZNZSIGOWQC-SFHVURJKSA-N 1 3 374.573 3.400 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000191551287 496808084 /nfs/dbraw/zinc/80/80/84/496808084.db2.gz AYQXFQQZJHEXST-UHFFFAOYSA-N 1 3 373.463 3.433 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000191551287 496808092 /nfs/dbraw/zinc/80/80/92/496808092.db2.gz AYQXFQQZJHEXST-UHFFFAOYSA-N 1 3 373.463 3.433 20 0 FGADHO COc1ccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000268898522 496818657 /nfs/dbraw/zinc/81/86/57/496818657.db2.gz LELZZNWPDCXZHM-UHFFFAOYSA-N 1 3 367.921 3.482 20 0 FGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268946370 496831014 /nfs/dbraw/zinc/83/10/14/496831014.db2.gz BEJVTJZGYOAWRX-CYBMUJFWSA-N 1 3 363.502 3.365 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320826 496834219 /nfs/dbraw/zinc/83/42/19/496834219.db2.gz HZVIITUKNYLBMS-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320826 496834222 /nfs/dbraw/zinc/83/42/22/496834222.db2.gz HZVIITUKNYLBMS-RXVVDRJESA-N 1 3 372.557 3.165 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccc4)CCCC3)CC2)CC1 ZINC000195204797 496848636 /nfs/dbraw/zinc/84/86/36/496848636.db2.gz NDIIXMQRGKNBQS-UHFFFAOYSA-N 1 3 369.553 3.173 20 0 FGADHO Cc1c(Cl)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341707 496895366 /nfs/dbraw/zinc/89/53/66/496895366.db2.gz TVZDTGDLEONHNJ-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CC(C)c1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341657 496895851 /nfs/dbraw/zinc/89/58/51/496895851.db2.gz NWWVJDUVDFAYKA-UHFFFAOYSA-N 1 3 358.530 3.490 20 0 FGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000195394309 496910236 /nfs/dbraw/zinc/91/02/36/496910236.db2.gz XJWQSRFAIYXBMS-UHFFFAOYSA-N 1 3 373.566 3.091 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000195551828 496950442 /nfs/dbraw/zinc/95/04/42/496950442.db2.gz CCDJEUQRKKAFNH-NQIIRXRSSA-N 1 3 374.573 3.273 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418792 497005325 /nfs/dbraw/zinc/00/53/25/497005325.db2.gz TZHZAYOXYRPJRU-UZZNCIHVSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418792 497005327 /nfs/dbraw/zinc/00/53/27/497005327.db2.gz TZHZAYOXYRPJRU-UZZNCIHVSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418792 497005332 /nfs/dbraw/zinc/00/53/32/497005332.db2.gz TZHZAYOXYRPJRU-UZZNCIHVSA-N 1 3 364.533 3.479 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888012 497018302 /nfs/dbraw/zinc/01/83/02/497018302.db2.gz VDPRMMMYLQVJGA-QFIPXVFZSA-N 1 3 359.558 3.024 20 0 FGADHO COCc1ccccc1/C=C(\C)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000572065914 505880613 /nfs/dbraw/zinc/88/06/13/505880613.db2.gz CBOHAHXMSJXFMU-KNTRCKAVSA-N 1 3 359.558 3.194 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000248553672 497036560 /nfs/dbraw/zinc/03/65/60/497036560.db2.gz HMQGZNANVSNICT-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000248553672 497036565 /nfs/dbraw/zinc/03/65/65/497036565.db2.gz HMQGZNANVSNICT-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000248553672 497036570 /nfs/dbraw/zinc/03/65/70/497036570.db2.gz HMQGZNANVSNICT-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO COCc1ccccc1/C=C(\C)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000572065914 505880617 /nfs/dbraw/zinc/88/06/17/505880617.db2.gz CBOHAHXMSJXFMU-KNTRCKAVSA-N 1 3 359.558 3.194 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189270647 497065781 /nfs/dbraw/zinc/06/57/81/497065781.db2.gz XNKLCLWTDVDFOQ-UHFFFAOYSA-N 1 3 363.855 3.474 20 0 FGADHO Cc1ccc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)ccc2n1 ZINC000189386570 497102329 /nfs/dbraw/zinc/10/23/29/497102329.db2.gz MQUSRRXLNWGBDA-YADHBBJMSA-N 1 3 353.510 3.401 20 0 FGADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236604588 497120551 /nfs/dbraw/zinc/12/05/51/497120551.db2.gz YJAOAENXKVQARD-OAQYLSRUSA-N 1 3 365.521 3.348 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236650712 497127335 /nfs/dbraw/zinc/12/73/35/497127335.db2.gz IBHQMWVKZAIPMC-NRFANRHFSA-N 1 3 357.542 3.356 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236832503 497153081 /nfs/dbraw/zinc/15/30/81/497153081.db2.gz PUHSTVBWYQJWEY-WMZOPIPTSA-N 1 3 371.447 3.204 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc(OC)c1 ZINC000236881997 497162832 /nfs/dbraw/zinc/16/28/32/497162832.db2.gz FVKSNGQXPMECBG-LRGNLBRXSA-N 1 3 373.541 3.115 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177550 497179345 /nfs/dbraw/zinc/17/93/45/497179345.db2.gz GBJLAPZGWMNJIG-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177550 497179346 /nfs/dbraw/zinc/17/93/46/497179346.db2.gz GBJLAPZGWMNJIG-HIFRSBDPSA-N 1 3 373.310 3.476 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000249379267 497196681 /nfs/dbraw/zinc/19/66/81/497196681.db2.gz OKLKXVMMDSEPOW-OLZOCXBDSA-N 1 3 358.267 3.284 20 0 FGADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000192738100 497200271 /nfs/dbraw/zinc/20/02/71/497200271.db2.gz JHSXPGKPOXTZIR-FQEVSTJZSA-N 1 3 361.574 3.364 20 0 FGADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000192738100 497200273 /nfs/dbraw/zinc/20/02/73/497200273.db2.gz JHSXPGKPOXTZIR-FQEVSTJZSA-N 1 3 361.574 3.364 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000574963124 505892061 /nfs/dbraw/zinc/89/20/61/505892061.db2.gz ZXPMNIPBCRAIMU-SESVDKBCSA-N 1 3 363.505 3.292 20 0 FGADHO C[C@@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237416291 497232883 /nfs/dbraw/zinc/23/28/83/497232883.db2.gz XKODLLYDWXIIHS-FUHWJXTLSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237413279 497233056 /nfs/dbraw/zinc/23/30/56/497233056.db2.gz ZQISNWRFYKZXBV-QKNQBKEWSA-N 1 3 357.542 3.437 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H](N)c1ccccc1 ZINC000237518364 497249911 /nfs/dbraw/zinc/24/99/11/497249911.db2.gz LUHCOIYBMZMBER-CTAFRAEOSA-N 1 3 357.542 3.436 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H](N)c1ccccc1 ZINC000237518364 497249918 /nfs/dbraw/zinc/24/99/18/497249918.db2.gz LUHCOIYBMZMBER-CTAFRAEOSA-N 1 3 357.542 3.436 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237565856 497255950 /nfs/dbraw/zinc/25/59/50/497255950.db2.gz PLVYQKPQLVQXDU-UTKZUKDTSA-N 1 3 351.494 3.270 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000237600118 497261161 /nfs/dbraw/zinc/26/11/61/497261161.db2.gz WDAHXUXCTGIKTC-LSDHHAIUSA-N 1 3 367.921 3.245 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000250431945 497266649 /nfs/dbraw/zinc/26/66/49/497266649.db2.gz JLXUFHILYOPMET-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000250431945 497266652 /nfs/dbraw/zinc/26/66/52/497266652.db2.gz JLXUFHILYOPMET-PZJWPPBQSA-N 1 3 372.557 3.163 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000193003846 497271538 /nfs/dbraw/zinc/27/15/38/497271538.db2.gz SNFOOXQEXCTZDJ-IRLDBZIGSA-N 1 3 359.558 3.160 20 0 FGADHO Brc1ccc2ncc(C[NH2+]C3CCN(C4CCC4)CC3)n2c1 ZINC000266198870 497278397 /nfs/dbraw/zinc/27/83/97/497278397.db2.gz KSTFVSKUAKUOBQ-UHFFFAOYSA-N 1 3 363.303 3.203 20 0 FGADHO Cc1cc(NC(=O)[C@@H](CN)c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237715253 497279786 /nfs/dbraw/zinc/27/97/86/497279786.db2.gz KQTSSGPRNOWMBH-FQEVSTJZSA-N 1 3 367.493 3.151 20 0 FGADHO CNC(=O)c1cccc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000189957490 497306434 /nfs/dbraw/zinc/30/64/34/497306434.db2.gz FUTGDMOFPUQDKP-ROUUACIJSA-N 1 3 365.521 3.292 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000279048518 497316043 /nfs/dbraw/zinc/31/60/43/497316043.db2.gz GWHBBZGAWGBPTE-UHFFFAOYSA-N 1 3 361.599 3.410 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000275659065 497395974 /nfs/dbraw/zinc/39/59/74/497395974.db2.gz NXCHRVQYNLBFEL-UHFFFAOYSA-N 1 3 354.498 3.174 20 0 FGADHO C[C@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728545 497415284 /nfs/dbraw/zinc/41/52/84/497415284.db2.gz ZOTCEWDBMAQDMQ-NRDMVMEKSA-N 1 3 368.525 3.283 20 0 FGADHO C[C@H]1C[C@H](N[C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728545 497415288 /nfs/dbraw/zinc/41/52/88/497415288.db2.gz ZOTCEWDBMAQDMQ-NRDMVMEKSA-N 1 3 368.525 3.283 20 0 FGADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000261977580 497486249 /nfs/dbraw/zinc/48/62/49/497486249.db2.gz GQEOVIPNVFZDNA-CABCVRRESA-N 1 3 351.922 3.227 20 0 FGADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000261996044 497489120 /nfs/dbraw/zinc/48/91/20/497489120.db2.gz NSZPHMQOSOBIPE-ZWKOTPCHSA-N 1 3 371.569 3.453 20 0 FGADHO CC(C)Oc1ccc2ccccc2c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262161708 497518079 /nfs/dbraw/zinc/51/80/79/497518079.db2.gz STANAVYUURTDOO-IBGZPJMESA-N 1 3 353.510 3.107 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369455 497534817 /nfs/dbraw/zinc/53/48/17/497534817.db2.gz SKROTCBEDOPHLR-RXVVDRJESA-N 1 3 372.557 3.069 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935508 497577518 /nfs/dbraw/zinc/57/75/18/497577518.db2.gz IZKUSQWKBQIBTK-NJDAHSKKSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000245935508 497577519 /nfs/dbraw/zinc/57/75/19/497577519.db2.gz IZKUSQWKBQIBTK-NJDAHSKKSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262629465 497587827 /nfs/dbraw/zinc/58/78/27/497587827.db2.gz DLWSUVZNWYFIJR-CZYKHXBRSA-N 1 3 369.553 3.278 20 0 FGADHO C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272300470 497589395 /nfs/dbraw/zinc/58/93/95/497589395.db2.gz PRNBJGDBXCQMQH-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300470 497589403 /nfs/dbraw/zinc/58/94/03/497589403.db2.gz PRNBJGDBXCQMQH-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000262655706 497592934 /nfs/dbraw/zinc/59/29/34/497592934.db2.gz UFPAQFYMNKXJNE-IEZWGBDMSA-N 1 3 357.523 3.337 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CCCN(C)CC3)c2)CC1 ZINC000272324056 497596575 /nfs/dbraw/zinc/59/65/75/497596575.db2.gz BQLYEZLXRAXQBI-UHFFFAOYSA-N 1 3 358.530 3.130 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000190783805 497602890 /nfs/dbraw/zinc/60/28/90/497602890.db2.gz XNCLVHKCARVAFS-UHFFFAOYSA-N 1 3 355.526 3.243 20 0 FGADHO C[C@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN(Cc2ccccc2)C1 ZINC000581134812 505917410 /nfs/dbraw/zinc/91/74/10/505917410.db2.gz DBPFRHKBOBSABJ-QFIPXVFZSA-N 1 3 372.557 3.259 20 0 FGADHO CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272463089 497634958 /nfs/dbraw/zinc/63/49/58/497634958.db2.gz KPEAEMZLYSJHTE-LAUBAEHRSA-N 1 3 351.494 3.046 20 0 FGADHO O=C(CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235949 505922360 /nfs/dbraw/zinc/92/23/60/505922360.db2.gz PGUXZZUOPYBMMT-LJQANCHMSA-N 1 3 369.484 3.309 20 0 FGADHO O=C(CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235949 505922363 /nfs/dbraw/zinc/92/23/63/505922363.db2.gz PGUXZZUOPYBMMT-LJQANCHMSA-N 1 3 369.484 3.309 20 0 FGADHO O=C(CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(F)c1 ZINC000572235949 505922368 /nfs/dbraw/zinc/92/23/68/505922368.db2.gz PGUXZZUOPYBMMT-LJQANCHMSA-N 1 3 369.484 3.309 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710509 497708782 /nfs/dbraw/zinc/70/87/82/497708782.db2.gz AVYUNXOSFWUDDC-QHCPKHFHSA-N 1 3 365.521 3.012 20 0 FGADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730605 497714479 /nfs/dbraw/zinc/71/44/79/497714479.db2.gz ZRHSHRQBIXVHEK-VXGVFTFCSA-N 1 3 369.553 3.324 20 0 FGADHO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730604 497715093 /nfs/dbraw/zinc/71/50/93/497715093.db2.gz ZRHSHRQBIXVHEK-TTWXDQCFSA-N 1 3 369.553 3.324 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000272735372 497715972 /nfs/dbraw/zinc/71/59/72/497715972.db2.gz JQVDMSSUFPNJBS-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000272735372 497715979 /nfs/dbraw/zinc/71/59/79/497715979.db2.gz JQVDMSSUFPNJBS-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000263288639 497750055 /nfs/dbraw/zinc/75/00/55/497750055.db2.gz VSJBNBJQPBCWBE-DWLFOUALSA-N 1 3 365.521 3.003 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000263288639 497750057 /nfs/dbraw/zinc/75/00/57/497750057.db2.gz VSJBNBJQPBCWBE-DWLFOUALSA-N 1 3 365.521 3.003 20 0 FGADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540642 497768381 /nfs/dbraw/zinc/76/83/81/497768381.db2.gz QDZDBYYKBYQCGA-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540642 497768387 /nfs/dbraw/zinc/76/83/87/497768387.db2.gz QDZDBYYKBYQCGA-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564779 497775467 /nfs/dbraw/zinc/77/54/67/497775467.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246564779 497775473 /nfs/dbraw/zinc/77/54/73/497775473.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260702 497790082 /nfs/dbraw/zinc/79/00/82/497790082.db2.gz QYMULSVJBVWYPZ-AWEZNQCLSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260702 497790086 /nfs/dbraw/zinc/79/00/86/497790086.db2.gz QYMULSVJBVWYPZ-AWEZNQCLSA-N 1 3 368.319 3.194 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790021 497811155 /nfs/dbraw/zinc/81/11/55/497811155.db2.gz AHSQFHHVUJLJDO-NQIIRXRSSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000295866467 497834956 /nfs/dbraw/zinc/83/49/56/497834956.db2.gz XDTAJGRUYJBORB-XMCHAPAWSA-N 1 3 352.469 3.426 20 0 FGADHO NC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240536 505940933 /nfs/dbraw/zinc/94/09/33/505940933.db2.gz JEZNUJRFOJJWNB-FPOVZHCZSA-N 1 3 366.509 3.156 20 0 FGADHO NC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240536 505940938 /nfs/dbraw/zinc/94/09/38/505940938.db2.gz JEZNUJRFOJJWNB-FPOVZHCZSA-N 1 3 366.509 3.156 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000569474128 505943969 /nfs/dbraw/zinc/94/39/69/505943969.db2.gz VUAQEQCNMBNAHG-ATZDWAIDSA-N 1 3 371.504 3.299 20 0 FGADHO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285613892 498147063 /nfs/dbraw/zinc/14/70/63/498147063.db2.gz KIQHFKWASHZIPJ-MRXNPFEDSA-N 1 3 365.477 3.333 20 0 FGADHO Cc1ccccc1C(=O)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000572532818 505991127 /nfs/dbraw/zinc/99/11/27/505991127.db2.gz FFPOVMOTVKWDJU-UHFFFAOYSA-N 1 3 363.505 3.035 20 0 FGADHO FC(F)(F)CN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000578720966 506004863 /nfs/dbraw/zinc/00/48/63/506004863.db2.gz BTQSLFOVRBVAKK-MKXGPGLRSA-N 1 3 367.459 3.408 20 0 FGADHO FC(F)(F)CN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000578720966 506004866 /nfs/dbraw/zinc/00/48/66/506004866.db2.gz BTQSLFOVRBVAKK-MKXGPGLRSA-N 1 3 367.459 3.408 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000581522716 506006768 /nfs/dbraw/zinc/00/67/68/506006768.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000581522716 506006769 /nfs/dbraw/zinc/00/67/69/506006769.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 1 3 357.542 3.409 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1OC ZINC000286060142 498282085 /nfs/dbraw/zinc/28/20/85/498282085.db2.gz LIFSFSRSWSBLRN-IRXDYDNUSA-N 1 3 362.514 3.164 20 0 FGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289771710 498286075 /nfs/dbraw/zinc/28/60/75/498286075.db2.gz RISRGRGWXSCEOU-VQTJNVASSA-N 1 3 370.493 3.204 20 0 FGADHO c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642860 498293643 /nfs/dbraw/zinc/29/36/43/498293643.db2.gz RDEKHFLLLKBTHE-BURNTYAHSA-N 1 3 350.510 3.261 20 0 FGADHO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)c1 ZINC000578771012 506016879 /nfs/dbraw/zinc/01/68/79/506016879.db2.gz BAJDUUSKILKNSP-VXKWHMMOSA-N 1 3 368.521 3.078 20 0 FGADHO O[C@H](CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349350 498354279 /nfs/dbraw/zinc/35/42/79/498354279.db2.gz NQRQHGRPKSDXJU-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289931876 498356666 /nfs/dbraw/zinc/35/66/66/498356666.db2.gz YYQHILXDSZZQSS-XODARUQUSA-N 1 3 368.525 3.140 20 0 FGADHO C[C@H](N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289931876 498356670 /nfs/dbraw/zinc/35/66/70/498356670.db2.gz YYQHILXDSZZQSS-XODARUQUSA-N 1 3 368.525 3.140 20 0 FGADHO COC(=O)CCCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000289955817 498369213 /nfs/dbraw/zinc/36/92/13/498369213.db2.gz YBXJNNAVFIQHSQ-UHFFFAOYSA-N 1 3 361.530 3.040 20 0 FGADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(C2CCC2)C1 ZINC000293663150 498446569 /nfs/dbraw/zinc/44/65/69/498446569.db2.gz JMVNPQDBCCQRHB-IBGZPJMESA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000293663150 498446575 /nfs/dbraw/zinc/44/65/75/498446575.db2.gz JMVNPQDBCCQRHB-IBGZPJMESA-N 1 3 369.553 3.231 20 0 FGADHO C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000293663150 498446583 /nfs/dbraw/zinc/44/65/83/498446583.db2.gz JMVNPQDBCCQRHB-IBGZPJMESA-N 1 3 369.553 3.231 20 0 FGADHO CC[NH+]1CCC(CNCc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000581649664 506036667 /nfs/dbraw/zinc/03/66/67/506036667.db2.gz JCQPBVJUHASUFR-UHFFFAOYSA-N 1 3 370.541 3.378 20 0 FGADHO COCCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297562208 498494383 /nfs/dbraw/zinc/49/43/83/498494383.db2.gz HFQVAOABIDBVGM-UHFFFAOYSA-N 1 3 355.482 3.174 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000576002617 506053484 /nfs/dbraw/zinc/05/34/84/506053484.db2.gz ZWURVFBCTYRJHE-PZJWPPBQSA-N 1 3 361.574 3.125 20 0 FGADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000290451611 498558196 /nfs/dbraw/zinc/55/81/96/498558196.db2.gz SXBKORHNVUBPJW-UXHICEINSA-N 1 3 370.493 3.062 20 0 FGADHO C[C@H](CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000569961184 506056827 /nfs/dbraw/zinc/05/68/27/506056827.db2.gz ADBOSMJQFJZUNH-NVXWUHKLSA-N 1 3 358.448 3.463 20 0 FGADHO COc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1OC(F)F ZINC000572841577 506065839 /nfs/dbraw/zinc/06/58/39/506065839.db2.gz IEYARFUNIFFKBA-UHFFFAOYSA-N 1 3 363.408 3.450 20 0 FGADHO CN1CCN(CCCC[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000576129382 506084024 /nfs/dbraw/zinc/08/40/24/506084024.db2.gz UBBWQYRAYFXEKG-UHFFFAOYSA-N 1 3 351.538 3.436 20 0 FGADHO Fc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1-n1ccnc1 ZINC000298228270 498702028 /nfs/dbraw/zinc/70/20/28/498702028.db2.gz BBIVCVWSVZSCNS-UHFFFAOYSA-N 1 3 351.429 3.165 20 0 FGADHO COc1cccc(CCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000303937468 498730551 /nfs/dbraw/zinc/73/05/51/498730551.db2.gz RXHLBJUQKCJBER-KDURUIRLSA-N 1 3 360.542 3.449 20 0 FGADHO O=C(c1ccccc1)N1CC[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021545 498747869 /nfs/dbraw/zinc/74/78/69/498747869.db2.gz GWSKLPZZXGRRSH-FPOVZHCZSA-N 1 3 355.526 3.099 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424419 498752570 /nfs/dbraw/zinc/75/25/70/498752570.db2.gz FQZZBEBSUQEYHA-OALUTQOASA-N 1 3 374.912 3.191 20 0 FGADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424419 498752575 /nfs/dbraw/zinc/75/25/75/498752575.db2.gz FQZZBEBSUQEYHA-OALUTQOASA-N 1 3 374.912 3.191 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000313115929 498765828 /nfs/dbraw/zinc/76/58/28/498765828.db2.gz ZSEVLTPXKUEDOQ-BHIFYINESA-N 1 3 364.489 3.473 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363399400 498800982 /nfs/dbraw/zinc/80/09/82/498800982.db2.gz YCPMUMXEYLTDSA-OAQYLSRUSA-N 1 3 374.573 3.312 20 0 FGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(-n2ccnn2)c1 ZINC000287597749 498808777 /nfs/dbraw/zinc/80/87/77/498808777.db2.gz ILEIEMBDGBXZLN-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CN1CCCC1 ZINC000320702068 498808895 /nfs/dbraw/zinc/80/88/95/498808895.db2.gz INZRMFZPCWVRKN-KBPBESRZSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000320728116 498808979 /nfs/dbraw/zinc/80/89/79/498808979.db2.gz NCAGABKKPUJXTK-DZGCQCFKSA-N 1 3 361.313 3.055 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000570122076 506094746 /nfs/dbraw/zinc/09/47/46/506094746.db2.gz VFKRNYLIBDSVNM-VQTJNVASSA-N 1 3 374.573 3.318 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000570122076 506094750 /nfs/dbraw/zinc/09/47/50/506094750.db2.gz VFKRNYLIBDSVNM-VQTJNVASSA-N 1 3 374.573 3.318 20 0 FGADHO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000295084758 498903691 /nfs/dbraw/zinc/90/36/91/498903691.db2.gz UIBKMDXBRDIICZ-JAXLGGSGSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084758 498903692 /nfs/dbraw/zinc/90/36/92/498903692.db2.gz UIBKMDXBRDIICZ-JAXLGGSGSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084758 498903697 /nfs/dbraw/zinc/90/36/97/498903697.db2.gz UIBKMDXBRDIICZ-JAXLGGSGSA-N 1 3 350.510 3.218 20 0 FGADHO COc1cccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881275 498906070 /nfs/dbraw/zinc/90/60/70/498906070.db2.gz KESXZMJLZNDWEA-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881275 498906076 /nfs/dbraw/zinc/90/60/76/498906076.db2.gz KESXZMJLZNDWEA-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000298881275 498906086 /nfs/dbraw/zinc/90/60/86/498906086.db2.gz KESXZMJLZNDWEA-IRXDYDNUSA-N 1 3 359.514 3.266 20 0 FGADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748021 498972424 /nfs/dbraw/zinc/97/24/24/498972424.db2.gz RUAONBQITLRDMH-YOEHRIQHSA-N 1 3 356.507 3.144 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363748019 498973028 /nfs/dbraw/zinc/97/30/28/498973028.db2.gz RUAONBQITLRDMH-RHSMWYFYSA-N 1 3 356.507 3.144 20 0 FGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362798 498992027 /nfs/dbraw/zinc/99/20/27/498992027.db2.gz XUEMVKZANZUOAB-WOJBJXKFSA-N 1 3 374.525 3.096 20 0 FGADHO C[C@]1(NC(=O)NCCCCC[NH+]2CCCC2)CCN(Cc2ccccc2)C1 ZINC000582066432 506126286 /nfs/dbraw/zinc/12/62/86/506126286.db2.gz CJKDZHDFFHXMRE-QFIPXVFZSA-N 1 3 372.557 3.216 20 0 FGADHO CN1CCC([N@@H+]2CC[C@H](N[C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832660 499015959 /nfs/dbraw/zinc/01/59/59/499015959.db2.gz XQZLFMXOKDFFDI-SIKLNZKXSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@H](N[C@H](c3ccc(F)cc3)c3ccccn3)C2)CC1 ZINC000363832660 499015964 /nfs/dbraw/zinc/01/59/64/499015964.db2.gz XQZLFMXOKDFFDI-SIKLNZKXSA-N 1 3 368.500 3.068 20 0 FGADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284042240 499035936 /nfs/dbraw/zinc/03/59/36/499035936.db2.gz LVBUCGRHKSAKNX-OAQYLSRUSA-N 1 3 356.514 3.171 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000299409338 499049868 /nfs/dbraw/zinc/04/98/68/499049868.db2.gz ZCIYRSPTBBCSEO-FQEVSTJZSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000299409338 499049874 /nfs/dbraw/zinc/04/98/74/499049874.db2.gz ZCIYRSPTBBCSEO-FQEVSTJZSA-N 1 3 357.542 3.135 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3cnnn3Cc3ccccc3)CC2)CC1 ZINC000291765108 499060166 /nfs/dbraw/zinc/06/01/66/499060166.db2.gz SAUKLCXJPAHCLL-UHFFFAOYSA-N 1 3 367.541 3.459 20 0 FGADHO COc1ccc2c(c1)[C@H](C)C[N@@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000367043394 499138953 /nfs/dbraw/zinc/13/89/53/499138953.db2.gz PWBBFIMYXDEUIP-LJQANCHMSA-N 1 3 359.558 3.073 20 0 FGADHO COc1ccc2c(c1)[C@H](C)C[N@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000367043394 499138955 /nfs/dbraw/zinc/13/89/55/499138955.db2.gz PWBBFIMYXDEUIP-LJQANCHMSA-N 1 3 359.558 3.073 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc1 ZINC000370130585 499185256 /nfs/dbraw/zinc/18/52/56/499185256.db2.gz HSPURDYTKRDZNC-UHFFFAOYSA-N 1 3 359.533 3.439 20 0 FGADHO CCN(C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000576346450 506136557 /nfs/dbraw/zinc/13/65/57/506136557.db2.gz OXAINAPSUHOVQD-VQIMIIECSA-N 1 3 361.505 3.057 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367611329 499217537 /nfs/dbraw/zinc/21/75/37/499217537.db2.gz BQMSNTYGXAQPPV-QYZOEREBSA-N 1 3 353.466 3.494 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367621763 499218976 /nfs/dbraw/zinc/21/89/76/499218976.db2.gz TVTKLVMMYUSSCN-INMHGKMJSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367621763 499218978 /nfs/dbraw/zinc/21/89/78/499218978.db2.gz TVTKLVMMYUSSCN-INMHGKMJSA-N 1 3 365.905 3.140 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226269 /nfs/dbraw/zinc/22/62/69/499226269.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226271 /nfs/dbraw/zinc/22/62/71/499226271.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226273 /nfs/dbraw/zinc/22/62/73/499226273.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226275 /nfs/dbraw/zinc/22/62/75/499226275.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644791 499239122 /nfs/dbraw/zinc/23/91/22/499239122.db2.gz GXQKICRABDFMPJ-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2ccnc2)c1 ZINC000370644791 499239123 /nfs/dbraw/zinc/23/91/23/499239123.db2.gz GXQKICRABDFMPJ-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000370669665 499242226 /nfs/dbraw/zinc/24/22/26/499242226.db2.gz OZMHTADMAHWNTD-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000370772360 499253236 /nfs/dbraw/zinc/25/32/36/499253236.db2.gz KXQMKGQKAYHQQW-GSNCRSPSSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@H](N)c1ccccc1 ZINC000370772360 499253238 /nfs/dbraw/zinc/25/32/38/499253238.db2.gz KXQMKGQKAYHQQW-GSNCRSPSSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000368213422 499274419 /nfs/dbraw/zinc/27/44/19/499274419.db2.gz KXGBIHJHQARMOY-UYAOXDASSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[C@H](CNC(=O)c2ccccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000368213422 499274420 /nfs/dbraw/zinc/27/44/20/499274420.db2.gz KXGBIHJHQARMOY-UYAOXDASSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421215 499294150 /nfs/dbraw/zinc/29/41/50/499294150.db2.gz BZJFPIDSXLHHHO-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421215 499294151 /nfs/dbraw/zinc/29/41/51/499294151.db2.gz BZJFPIDSXLHHHO-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368421215 499294152 /nfs/dbraw/zinc/29/41/52/499294152.db2.gz BZJFPIDSXLHHHO-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000368581705 499309861 /nfs/dbraw/zinc/30/98/61/499309861.db2.gz CFWXRDJXMOEWPJ-QAPCUYQASA-N 1 3 372.431 3.359 20 0 FGADHO COc1ccc(OCCCN(C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000368850269 499339507 /nfs/dbraw/zinc/33/95/07/499339507.db2.gz IUBANGJJUITUAM-UHFFFAOYSA-N 1 3 362.514 3.039 20 0 FGADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000368860001 499340552 /nfs/dbraw/zinc/34/05/52/499340552.db2.gz SDKVQHHTDXKGRO-UHFFFAOYSA-N 1 3 354.441 3.363 20 0 FGADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000368860001 499340555 /nfs/dbraw/zinc/34/05/55/499340555.db2.gz SDKVQHHTDXKGRO-UHFFFAOYSA-N 1 3 354.441 3.363 20 0 FGADHO CC1CC[NH+](CC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)CC1 ZINC000371762544 499362968 /nfs/dbraw/zinc/36/29/68/499362968.db2.gz LAYBZVMVWPSXTC-UHFFFAOYSA-N 1 3 357.542 3.332 20 0 FGADHO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000372348722 499423611 /nfs/dbraw/zinc/42/36/11/499423611.db2.gz QSRVMQPSTUMWDZ-ICSRJNTNSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000372348722 499423612 /nfs/dbraw/zinc/42/36/12/499423612.db2.gz QSRVMQPSTUMWDZ-ICSRJNTNSA-N 1 3 366.509 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348722 499423613 /nfs/dbraw/zinc/42/36/13/499423613.db2.gz QSRVMQPSTUMWDZ-ICSRJNTNSA-N 1 3 366.509 3.219 20 0 FGADHO CN1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)(N2CCCCC2)CC1 ZINC000373640998 499481403 /nfs/dbraw/zinc/48/14/03/499481403.db2.gz ADSIKDCODRDKKW-OAQYLSRUSA-N 1 3 356.558 3.463 20 0 FGADHO COc1ccc([C@H]2OCC[C@@H]2NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000375359588 499510743 /nfs/dbraw/zinc/51/07/43/499510743.db2.gz BKSIPLGCIYBYGM-RBBKRZOGSA-N 1 3 367.493 3.174 20 0 FGADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490300 499523493 /nfs/dbraw/zinc/52/34/93/499523493.db2.gz DKZLRKBMFZJVCE-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490300 499523494 /nfs/dbraw/zinc/52/34/94/499523494.db2.gz DKZLRKBMFZJVCE-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CCCCC1 ZINC000382724664 499546152 /nfs/dbraw/zinc/54/61/52/499546152.db2.gz RCNGBJKGQMIDAK-LEWJYISDSA-N 1 3 357.542 3.265 20 0 FGADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC1CCCCC1 ZINC000382724664 499546154 /nfs/dbraw/zinc/54/61/54/499546154.db2.gz RCNGBJKGQMIDAK-LEWJYISDSA-N 1 3 357.542 3.265 20 0 FGADHO c1ccc(CN2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)nc1 ZINC000376003918 499575486 /nfs/dbraw/zinc/57/54/86/499575486.db2.gz PMNZDMGQXUSZPH-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1ccc(CN2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)nc1 ZINC000376003918 499575487 /nfs/dbraw/zinc/57/54/87/499575487.db2.gz PMNZDMGQXUSZPH-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO c1ccc(CN2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000376003918 499575489 /nfs/dbraw/zinc/57/54/89/499575489.db2.gz PMNZDMGQXUSZPH-QFIPXVFZSA-N 1 3 356.558 3.433 20 0 FGADHO CN1CCC2(CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112660 499663334 /nfs/dbraw/zinc/66/33/34/499663334.db2.gz LIXYTFKBVWQVGP-LJQANCHMSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC2(CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112660 499663335 /nfs/dbraw/zinc/66/33/35/499663335.db2.gz LIXYTFKBVWQVGP-LJQANCHMSA-N 1 3 351.535 3.194 20 0 FGADHO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377688178 499719873 /nfs/dbraw/zinc/71/98/73/499719873.db2.gz AAQYKUTWMWUXEI-RLLQIKCJSA-N 1 3 370.493 3.204 20 0 FGADHO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377688178 499719874 /nfs/dbraw/zinc/71/98/74/499719874.db2.gz AAQYKUTWMWUXEI-RLLQIKCJSA-N 1 3 370.493 3.204 20 0 FGADHO CCCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414185592 499766884 /nfs/dbraw/zinc/76/68/84/499766884.db2.gz GRZBTPKJHADQQO-OAQYLSRUSA-N 1 3 359.558 3.304 20 0 FGADHO CC(C)C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414184898 499767070 /nfs/dbraw/zinc/76/70/70/499767070.db2.gz GAKCIJOKXPOYSG-SFHVURJKSA-N 1 3 365.587 3.222 20 0 FGADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414199146 499767777 /nfs/dbraw/zinc/76/77/77/499767777.db2.gz QSVCYDWHGQOHTE-LJQANCHMSA-N 1 3 365.949 3.177 20 0 FGADHO C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414200238 499767991 /nfs/dbraw/zinc/76/79/91/499767991.db2.gz RPCZUDAKDSODAM-GHTZIAJQSA-N 1 3 357.542 3.011 20 0 FGADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414207149 499768474 /nfs/dbraw/zinc/76/84/74/499768474.db2.gz ZDHJTJHTGRBOFN-FQEVSTJZSA-N 1 3 351.579 3.122 20 0 FGADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1cccc(CO)c1 ZINC000414263413 499772603 /nfs/dbraw/zinc/77/26/03/499772603.db2.gz JLQRUKUIUBDZNJ-CDNPAEQRSA-N 1 3 368.521 3.367 20 0 FGADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1cccc(CO)c1 ZINC000414263413 499772605 /nfs/dbraw/zinc/77/26/05/499772605.db2.gz JLQRUKUIUBDZNJ-CDNPAEQRSA-N 1 3 368.521 3.367 20 0 FGADHO OC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000414294293 499775156 /nfs/dbraw/zinc/77/51/56/499775156.db2.gz BXFTZIFETZXIFB-FDFHNCONSA-N 1 3 372.553 3.198 20 0 FGADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1(C)C ZINC000414305772 499776120 /nfs/dbraw/zinc/77/61/20/499776120.db2.gz NQRSHECDNFPEMT-VQTJNVASSA-N 1 3 360.542 3.195 20 0 FGADHO CC(C)O[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1(C)C ZINC000414305767 499776160 /nfs/dbraw/zinc/77/61/60/499776160.db2.gz NQRSHECDNFPEMT-UXHICEINSA-N 1 3 360.542 3.195 20 0 FGADHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000414308994 499776302 /nfs/dbraw/zinc/77/63/02/499776302.db2.gz REMOHPAIIGOSQL-INIZCTEOSA-N 1 3 359.901 3.413 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000414330039 499778316 /nfs/dbraw/zinc/77/83/16/499778316.db2.gz RDHQJNROWNRGCM-VXKWHMMOSA-N 1 3 369.553 3.442 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CC(C)(C)CCc3ccccc32)CC1 ZINC000411697359 499779522 /nfs/dbraw/zinc/77/95/22/499779522.db2.gz SASHNIRUWDJXNN-HXUWFJFHSA-N 1 3 357.542 3.280 20 0 FGADHO CCc1cc(N2CCC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000414351245 499780057 /nfs/dbraw/zinc/78/00/57/499780057.db2.gz MXBSPDAPWDFAGE-HXUWFJFHSA-N 1 3 371.573 3.395 20 0 FGADHO CCc1cc(N2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)ncn1 ZINC000414351245 499780058 /nfs/dbraw/zinc/78/00/58/499780058.db2.gz MXBSPDAPWDFAGE-HXUWFJFHSA-N 1 3 371.573 3.395 20 0 FGADHO Cc1occc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000414398702 499786474 /nfs/dbraw/zinc/78/64/74/499786474.db2.gz RIZPDAILIJRVEE-UHFFFAOYSA-N 1 3 369.509 3.048 20 0 FGADHO CN1CCC(C[NH2+]Cc2ccc(C3CCCC3)cc2)(N2CCOCC2)CC1 ZINC000414477807 499797170 /nfs/dbraw/zinc/79/71/70/499797170.db2.gz CMLFNUAOQRYEDU-UHFFFAOYSA-N 1 3 371.569 3.230 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2F)C2CCCCC2)C1 ZINC000414691839 499820654 /nfs/dbraw/zinc/82/06/54/499820654.db2.gz JVEAJKDDRWUJAR-QGZVFWFLSA-N 1 3 361.505 3.158 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2F)C2CCCCC2)C1 ZINC000414691839 499820656 /nfs/dbraw/zinc/82/06/56/499820656.db2.gz JVEAJKDDRWUJAR-QGZVFWFLSA-N 1 3 361.505 3.158 20 0 FGADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695499 499820926 /nfs/dbraw/zinc/82/09/26/499820926.db2.gz OXSFXUFVCQRLLH-NHCUHLMSSA-N 1 3 359.558 3.307 20 0 FGADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695499 499820927 /nfs/dbraw/zinc/82/09/27/499820927.db2.gz OXSFXUFVCQRLLH-NHCUHLMSSA-N 1 3 359.558 3.307 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697513 499821251 /nfs/dbraw/zinc/82/12/51/499821251.db2.gz WRESJGFWVROHBS-AWEZNQCLSA-N 1 3 370.324 3.155 20 0 FGADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000414697513 499821253 /nfs/dbraw/zinc/82/12/53/499821253.db2.gz WRESJGFWVROHBS-AWEZNQCLSA-N 1 3 370.324 3.155 20 0 FGADHO CCC(CC)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(Cl)cc1 ZINC000414704804 499821500 /nfs/dbraw/zinc/82/15/00/499821500.db2.gz JRFFYEBTEVWCON-HNNXBMFYSA-N 1 3 351.922 3.142 20 0 FGADHO C[C@@H]1C[C@@H](CN2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747870 499826193 /nfs/dbraw/zinc/82/61/93/499826193.db2.gz NIFYZVBFJKASFH-KEYYUXOJSA-N 1 3 353.304 3.211 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](N)c1ccccc1 ZINC000414793930 499832007 /nfs/dbraw/zinc/83/20/07/499832007.db2.gz UVKMDPBNXYICHU-SFHVURJKSA-N 1 3 370.497 3.229 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CCN1 ZINC000414940939 499847071 /nfs/dbraw/zinc/84/70/71/499847071.db2.gz BZYWEZCPDVCIHQ-RHSMWYFYSA-N 1 3 366.347 3.144 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000414994901 499852926 /nfs/dbraw/zinc/85/29/26/499852926.db2.gz DZVPWEPSRHJJSB-APWZRJJASA-N 1 3 374.529 3.234 20 0 FGADHO CC[C@H](CCc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000415045223 499857506 /nfs/dbraw/zinc/85/75/06/499857506.db2.gz TUFGICIIDWYIBK-IAGOWNOFSA-N 1 3 355.320 3.128 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415072079 499860471 /nfs/dbraw/zinc/86/04/71/499860471.db2.gz XOGDGKCMLTUMOP-BLLLJJGKSA-N 1 3 373.419 3.409 20 0 FGADHO C[C@@]1(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC000415099640 499863245 /nfs/dbraw/zinc/86/32/45/499863245.db2.gz GTPJKVGDLJRUIG-GOSISDBHSA-N 1 3 355.448 3.259 20 0 FGADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105706 499864468 /nfs/dbraw/zinc/86/44/68/499864468.db2.gz NDLJBDZSKWVVBO-LVCYWYKZSA-N 1 3 354.498 3.464 20 0 FGADHO CC(C)C[C@H](N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105706 499864469 /nfs/dbraw/zinc/86/44/69/499864469.db2.gz NDLJBDZSKWVVBO-LVCYWYKZSA-N 1 3 354.498 3.464 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C1 ZINC000415129595 499867817 /nfs/dbraw/zinc/86/78/17/499867817.db2.gz VGLRFTMPMUKUPZ-SJLPKXTDSA-N 1 3 372.431 3.346 20 0 FGADHO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415306152 499885043 /nfs/dbraw/zinc/88/50/43/499885043.db2.gz HVIOAHIMKBHKFK-SFHVURJKSA-N 1 3 374.529 3.205 20 0 FGADHO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312826 499885569 /nfs/dbraw/zinc/88/55/69/499885569.db2.gz UGFKQQQZBGMYNJ-SFHVURJKSA-N 1 3 362.518 3.046 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC000415880528 499923888 /nfs/dbraw/zinc/92/38/88/499923888.db2.gz GCUFYTBGLBMULW-UHFFFAOYSA-N 1 3 356.514 3.062 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)CC(C)C ZINC000415967038 499935017 /nfs/dbraw/zinc/93/50/17/499935017.db2.gz CWGREYCRQZTARG-GOSISDBHSA-N 1 3 362.518 3.047 20 0 FGADHO C[C@@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000415973518 499935945 /nfs/dbraw/zinc/93/59/45/499935945.db2.gz QQADVAYROVXOHN-ZDUSSCGKSA-N 1 3 372.435 3.408 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415979096 499936586 /nfs/dbraw/zinc/93/65/86/499936586.db2.gz ZFJORRUICDOEFX-LBPRGKRZSA-N 1 3 360.424 3.406 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415979096 499936588 /nfs/dbraw/zinc/93/65/88/499936588.db2.gz ZFJORRUICDOEFX-LBPRGKRZSA-N 1 3 360.424 3.406 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415981474 499937191 /nfs/dbraw/zinc/93/71/91/499937191.db2.gz JIQGKEBPTSVXIM-FQEVSTJZSA-N 1 3 352.482 3.144 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000428957124 499968232 /nfs/dbraw/zinc/96/82/32/499968232.db2.gz ZVUZTYTZIHPETR-ZIFCJYIRSA-N 1 3 360.546 3.097 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416252914 499995703 /nfs/dbraw/zinc/99/57/03/499995703.db2.gz PWNDAHIRCNSQMS-IBGZPJMESA-N 1 3 359.539 3.331 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(SC)s3)CC2)CC1 ZINC000421369835 500030235 /nfs/dbraw/zinc/03/02/35/500030235.db2.gz HZAIXRFJIUUESY-UHFFFAOYSA-N 1 3 353.601 3.462 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(SC)s3)CC2)CC1 ZINC000421369835 500030238 /nfs/dbraw/zinc/03/02/38/500030238.db2.gz HZAIXRFJIUUESY-UHFFFAOYSA-N 1 3 353.601 3.462 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417298292 500033306 /nfs/dbraw/zinc/03/33/06/500033306.db2.gz PSOXVDZNSYSEOO-HNNXBMFYSA-N 1 3 374.451 3.125 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344124 500045515 /nfs/dbraw/zinc/04/55/15/500045515.db2.gz RSCZPZMEZQCFGV-YZGWKJHDSA-N 1 3 370.566 3.437 20 0 FGADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000425375431 500089378 /nfs/dbraw/zinc/08/93/78/500089378.db2.gz ZOLVMHPCFYPRME-SLFFLAALSA-N 1 3 360.567 3.399 20 0 FGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC[C@@H](O)Cc1ccccc1 ZINC000425432582 500105210 /nfs/dbraw/zinc/10/52/10/500105210.db2.gz KZKULHUHFXWAGW-IPJJNNNSSA-N 1 3 352.522 3.336 20 0 FGADHO CN(C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000416808920 500126277 /nfs/dbraw/zinc/12/62/77/500126277.db2.gz PGELXDPLCUDFNL-WOJBJXKFSA-N 1 3 354.498 3.069 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000416884731 500147199 /nfs/dbraw/zinc/14/71/99/500147199.db2.gz LELBSSTXUJBNIY-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000417698495 500151941 /nfs/dbraw/zinc/15/19/41/500151941.db2.gz GIVUOCJUFXPGCF-APWZRJJASA-N 1 3 354.498 3.115 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833821 500180708 /nfs/dbraw/zinc/18/07/08/500180708.db2.gz UWGMTOLRNMWWAW-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430217714 500210394 /nfs/dbraw/zinc/21/03/94/500210394.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430217714 500210397 /nfs/dbraw/zinc/21/03/97/500210397.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418156839 500238605 /nfs/dbraw/zinc/23/86/05/500238605.db2.gz NPJYOHPLXKPHEN-SXLOBPIMSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164489 500240536 /nfs/dbraw/zinc/24/05/36/500240536.db2.gz WYVVDSXGJOPBNS-RLLQIKCJSA-N 1 3 372.557 3.056 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000418171390 500241847 /nfs/dbraw/zinc/24/18/47/500241847.db2.gz OCLQSYYSDFSEEK-UHFFFAOYSA-N 1 3 364.578 3.064 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192425 500246893 /nfs/dbraw/zinc/24/68/93/500246893.db2.gz YRBXTEAUXYKWML-JCGIZDLHSA-N 1 3 366.937 3.102 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000579477864 506185420 /nfs/dbraw/zinc/18/54/20/506185420.db2.gz NBSIEOKZYQRVQX-LJQANCHMSA-N 1 3 367.493 3.233 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000418321785 500261633 /nfs/dbraw/zinc/26/16/33/500261633.db2.gz CQOAGGMKEMQPHB-NHCUHLMSSA-N 1 3 372.557 3.183 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418351994 500267106 /nfs/dbraw/zinc/26/71/06/500267106.db2.gz MBNMBNHGHBJAIF-FXAWDEMLSA-N 1 3 360.546 3.183 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418351994 500267107 /nfs/dbraw/zinc/26/71/07/500267107.db2.gz MBNMBNHGHBJAIF-FXAWDEMLSA-N 1 3 360.546 3.183 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418355400 500267704 /nfs/dbraw/zinc/26/77/04/500267704.db2.gz BKEMAOPBRKTFES-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000418362035 500267941 /nfs/dbraw/zinc/26/79/41/500267941.db2.gz UVSHNKXEAPKYBX-UXHICEINSA-N 1 3 358.530 3.080 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640705 500285314 /nfs/dbraw/zinc/28/53/14/500285314.db2.gz VVVPNGQWUXXJDM-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000422640705 500285315 /nfs/dbraw/zinc/28/53/15/500285315.db2.gz VVVPNGQWUXXJDM-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000422640705 500285317 /nfs/dbraw/zinc/28/53/17/500285317.db2.gz VVVPNGQWUXXJDM-HZSPNIEDSA-N 1 3 368.319 3.083 20 0 FGADHO CCCN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000418503679 500285692 /nfs/dbraw/zinc/28/56/92/500285692.db2.gz ZEXHQMDTLWMRGV-FQEVSTJZSA-N 1 3 354.498 3.013 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCCN1 ZINC000422701817 500287250 /nfs/dbraw/zinc/28/72/50/500287250.db2.gz CPHKCXGHOHIXFJ-SQWLQELKSA-N 1 3 352.320 3.148 20 0 FGADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711625 500288613 /nfs/dbraw/zinc/28/86/13/500288613.db2.gz MZVJFTQXRBFXDD-IPMKNSEASA-N 1 3 351.604 3.248 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723384 500290150 /nfs/dbraw/zinc/29/01/50/500290150.db2.gz REUYCOVVUCVAFL-OPAMFIHVSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723384 500290152 /nfs/dbraw/zinc/29/01/52/500290152.db2.gz REUYCOVVUCVAFL-OPAMFIHVSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422731695 500291235 /nfs/dbraw/zinc/29/12/35/500291235.db2.gz OAMDKFDRYGZYTF-KEYYUXOJSA-N 1 3 357.420 3.142 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734021 500291245 /nfs/dbraw/zinc/29/12/45/500291245.db2.gz BZALKJQPVDROFO-RXVVDRJESA-N 1 3 359.558 3.044 20 0 FGADHO c1ccc2c(c1)CCN2CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422812332 500301403 /nfs/dbraw/zinc/30/14/03/500301403.db2.gz XLMLBYNMBVGGRT-NFBKMPQASA-N 1 3 363.505 3.285 20 0 FGADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422816661 500301681 /nfs/dbraw/zinc/30/16/81/500301681.db2.gz FQFYNOXHSGPYIE-QHAWAJNXSA-N 1 3 352.526 3.374 20 0 FGADHO COC[C@H](Cc1ccccc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422819688 500301760 /nfs/dbraw/zinc/30/17/60/500301760.db2.gz IUKADVDACLUIGH-VCOUNFBDSA-N 1 3 352.478 3.090 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000422833424 500303546 /nfs/dbraw/zinc/30/35/46/500303546.db2.gz GVFYGRRCLAAKAA-NURSFMCSSA-N 1 3 367.704 3.368 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672628 500305069 /nfs/dbraw/zinc/30/50/69/500305069.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672628 500305071 /nfs/dbraw/zinc/30/50/71/500305071.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 1 3 367.537 3.128 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCSc3c(F)cccc32)CC[NH2+]CC1 ZINC000422847084 500305294 /nfs/dbraw/zinc/30/52/94/500305294.db2.gz QZYARHXGNYIEQZ-CJNGLKHVSA-N 1 3 366.502 3.274 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863458 500307107 /nfs/dbraw/zinc/30/71/07/500307107.db2.gz PBLQEVWKMARJDF-ZNLUXHQJSA-N 1 3 351.494 3.357 20 0 FGADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422869540 500308251 /nfs/dbraw/zinc/30/82/51/500308251.db2.gz ANLYJOFTQVXYTQ-FNAHDJPLSA-N 1 3 369.553 3.121 20 0 FGADHO COc1ccc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422897133 500312906 /nfs/dbraw/zinc/31/29/06/500312906.db2.gz JCQLLYGVOQQLRM-PCCBWWKXSA-N 1 3 358.526 3.254 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1cccc(Cl)c1Cl ZINC000422898228 500313140 /nfs/dbraw/zinc/31/31/40/500313140.db2.gz DSWBKWMJTKVGBC-BFJAYTPKSA-N 1 3 373.324 3.243 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899856 500313171 /nfs/dbraw/zinc/31/31/71/500313171.db2.gz PILJAQRVMPXMCS-VKJFTORMSA-N 1 3 366.347 3.383 20 0 FGADHO C[C@@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961164 500313848 /nfs/dbraw/zinc/31/38/48/500313848.db2.gz MTCUBIRLQAPCOE-UZLBHIALSA-N 1 3 353.466 3.477 20 0 FGADHO Clc1cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000422928422 500318283 /nfs/dbraw/zinc/31/82/83/500318283.db2.gz KMIOYUCCVXRUOU-USXIJHARSA-N 1 3 350.890 3.164 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931358 500319291 /nfs/dbraw/zinc/31/92/91/500319291.db2.gz XJKRMSYNZIOBPV-KSSFIOAISA-N 1 3 360.885 3.202 20 0 FGADHO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc(Br)c1OC ZINC000422947704 500321968 /nfs/dbraw/zinc/32/19/68/500321968.db2.gz QZKMJOXUIDOUIM-KBPBESRZSA-N 1 3 357.292 3.216 20 0 FGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000431018859 500324345 /nfs/dbraw/zinc/32/43/45/500324345.db2.gz JRKPMAMXBSMTOU-RBBKRZOGSA-N 1 3 365.521 3.100 20 0 FGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000431018859 500324347 /nfs/dbraw/zinc/32/43/47/500324347.db2.gz JRKPMAMXBSMTOU-RBBKRZOGSA-N 1 3 365.521 3.100 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000422994734 500328439 /nfs/dbraw/zinc/32/84/39/500328439.db2.gz VZPGVRHGNUOOOU-GDAAHCPNSA-N 1 3 370.459 3.367 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020889 500331435 /nfs/dbraw/zinc/33/14/35/500331435.db2.gz DBQBZETUPLDXNT-MDUILUSMSA-N 1 3 353.913 3.450 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423020889 500331438 /nfs/dbraw/zinc/33/14/38/500331438.db2.gz DBQBZETUPLDXNT-MDUILUSMSA-N 1 3 353.913 3.450 20 0 FGADHO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423035485 500333784 /nfs/dbraw/zinc/33/37/84/500333784.db2.gz RNAXUCCYECTSDZ-HOCLYGCPSA-N 1 3 355.320 3.497 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423049363 500335878 /nfs/dbraw/zinc/33/58/78/500335878.db2.gz JSUUROQOHAPTGC-RHSMWYFYSA-N 1 3 367.415 3.113 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423060407 500336882 /nfs/dbraw/zinc/33/68/82/500336882.db2.gz IBHHNNMQIJHAAE-OPAMFIHVSA-N 1 3 352.526 3.410 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[NH2+]CC[C@H]3C)c2)n1 ZINC000423072732 500338753 /nfs/dbraw/zinc/33/87/53/500338753.db2.gz JSAGGRIUAZWLCK-CJNGLKHVSA-N 1 3 359.495 3.074 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2cc(F)c(Cl)cc2F)CC[NH2+]CC1 ZINC000423088593 500340383 /nfs/dbraw/zinc/34/03/83/500340383.db2.gz SIGLLYPTXHMOFD-NSHDSACASA-N 1 3 360.832 3.029 20 0 FGADHO CC(C)c1nnc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000423123456 500345099 /nfs/dbraw/zinc/34/50/99/500345099.db2.gz DRVRTXRJNPLISH-BEFAXECRSA-N 1 3 358.511 3.050 20 0 FGADHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(Cl)c1OC ZINC000423132652 500346667 /nfs/dbraw/zinc/34/66/67/500346667.db2.gz JRCLPYJIVGUNDL-GFCCVEGCSA-N 1 3 363.889 3.413 20 0 FGADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N(CC)CC)cc1 ZINC000423137840 500347374 /nfs/dbraw/zinc/34/73/74/500347374.db2.gz XAUUPLFYDJQHSZ-AFXVXQJMSA-N 1 3 373.585 3.379 20 0 FGADHO Clc1ccc2c(c1Cl)OCCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423174366 500351152 /nfs/dbraw/zinc/35/11/52/500351152.db2.gz AOKJHLRKRADDJX-HNNXBMFYSA-N 1 3 358.313 3.092 20 0 FGADHO Fc1ccc(N2CC[C@H](N[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423196379 500354156 /nfs/dbraw/zinc/35/41/56/500354156.db2.gz ZTPJUUXFMBUVSV-RBDMOPTHSA-N 1 3 367.468 3.250 20 0 FGADHO C[NH2+]C[C@@H](C)CN[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423255443 500358692 /nfs/dbraw/zinc/35/86/92/500358692.db2.gz ABCJUBSPGAVDJS-CXAGYDPISA-N 1 3 355.320 3.362 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000423316197 500363429 /nfs/dbraw/zinc/36/34/29/500363429.db2.gz ASAGLRISZCLTKD-DYESRHJHSA-N 1 3 351.494 3.443 20 0 FGADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000427320371 500381044 /nfs/dbraw/zinc/38/10/44/500381044.db2.gz LEIRTLJOPKRKCF-CTNGQTDRSA-N 1 3 357.542 3.356 20 0 FGADHO C[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000423533156 500382926 /nfs/dbraw/zinc/38/29/26/500382926.db2.gz SLXJBPZOHJHDQZ-BULFRSBZSA-N 1 3 353.510 3.033 20 0 FGADHO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCCN(C)C)cc1 ZINC000423529654 500383047 /nfs/dbraw/zinc/38/30/47/500383047.db2.gz QFLRFHFLEYEWEH-NKZGEROYSA-N 1 3 371.569 3.431 20 0 FGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1I ZINC000423542180 500383827 /nfs/dbraw/zinc/38/38/27/500383827.db2.gz LWSXJKDISDGIIE-XDQVBPFNSA-N 1 3 370.278 3.330 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423769513 500400126 /nfs/dbraw/zinc/40/01/26/500400126.db2.gz CJXZIJUDZSPSBZ-UIFIKXQLSA-N 1 3 365.521 3.349 20 0 FGADHO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000431656137 500404135 /nfs/dbraw/zinc/40/41/35/500404135.db2.gz VFRJZASMGLPTNL-SFTDATJTSA-N 1 3 351.494 3.070 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423906267 500417746 /nfs/dbraw/zinc/41/77/46/500417746.db2.gz PWZDCBWWMQDEQC-SXLOBPIMSA-N 1 3 355.526 3.188 20 0 FGADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423906267 500417748 /nfs/dbraw/zinc/41/77/48/500417748.db2.gz PWZDCBWWMQDEQC-SXLOBPIMSA-N 1 3 355.526 3.188 20 0 FGADHO CC1CCC(O)(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000427675929 500419814 /nfs/dbraw/zinc/41/98/14/500419814.db2.gz BRBDEIJPHCCWMF-SGBLEOHJSA-N 1 3 352.563 3.139 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000431795796 500426063 /nfs/dbraw/zinc/42/60/63/500426063.db2.gz HVLUWDVNOBTQPQ-SFTDATJTSA-N 1 3 374.573 3.448 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845529 500433198 /nfs/dbraw/zinc/43/31/98/500433198.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 1 3 359.558 3.259 20 0 FGADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431845529 500433200 /nfs/dbraw/zinc/43/32/00/500433200.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 1 3 359.558 3.259 20 0 FGADHO O=C(N[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296762 500436156 /nfs/dbraw/zinc/43/61/56/500436156.db2.gz DTZDRWFBVBKCFO-PGRDOPGGSA-N 1 3 365.521 3.424 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317654 500441031 /nfs/dbraw/zinc/44/10/31/500441031.db2.gz NPBXXBIWCZDQCS-LPHOPBHVSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317654 500441033 /nfs/dbraw/zinc/44/10/33/500441033.db2.gz NPBXXBIWCZDQCS-LPHOPBHVSA-N 1 3 365.481 3.011 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317654 500441035 /nfs/dbraw/zinc/44/10/35/500441035.db2.gz NPBXXBIWCZDQCS-LPHOPBHVSA-N 1 3 365.481 3.011 20 0 FGADHO CC(C)C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340157 500444866 /nfs/dbraw/zinc/44/48/66/500444866.db2.gz MSOOQJBYQJNIEX-NJYVYQBISA-N 1 3 357.542 3.212 20 0 FGADHO [NH3+]C[C@@H]1CN(CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339902 500444984 /nfs/dbraw/zinc/44/49/84/500444984.db2.gz ZIBMYWNDWNVZGM-HXUWFJFHSA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339902 500444988 /nfs/dbraw/zinc/44/49/88/500444988.db2.gz ZIBMYWNDWNVZGM-HXUWFJFHSA-N 1 3 354.494 3.296 20 0 FGADHO NC[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339902 500444989 /nfs/dbraw/zinc/44/49/89/500444989.db2.gz ZIBMYWNDWNVZGM-HXUWFJFHSA-N 1 3 354.494 3.296 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346475 500445338 /nfs/dbraw/zinc/44/53/38/500445338.db2.gz YJFQMIPRMANHSQ-VQTJNVASSA-N 1 3 357.542 3.135 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420367905 500448594 /nfs/dbraw/zinc/44/85/94/500448594.db2.gz AJFJBBXBTMPYIY-ZWKOTPCHSA-N 1 3 356.869 3.076 20 0 FGADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406925 500456837 /nfs/dbraw/zinc/45/68/37/500456837.db2.gz UUOBUYUUUYFADX-YOEHRIQHSA-N 1 3 369.431 3.498 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414062 500457623 /nfs/dbraw/zinc/45/76/23/500457623.db2.gz UFYTZMNLDXOYLD-YSGRDPCXSA-N 1 3 362.420 3.136 20 0 FGADHO COc1ccc([C@H](CN)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000420414062 500457627 /nfs/dbraw/zinc/45/76/27/500457627.db2.gz UFYTZMNLDXOYLD-YSGRDPCXSA-N 1 3 362.420 3.136 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065476 500464223 /nfs/dbraw/zinc/46/42/23/500464223.db2.gz FNHBHPWABVPQBU-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065476 500464225 /nfs/dbraw/zinc/46/42/25/500464225.db2.gz FNHBHPWABVPQBU-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272403 500479796 /nfs/dbraw/zinc/47/97/96/500479796.db2.gz UCPRCYKHJCEATD-IEBWSBKVSA-N 1 3 358.555 3.043 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000420864812 500517954 /nfs/dbraw/zinc/51/79/54/500517954.db2.gz NQESZCDSFWOAAV-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N2CCCC2)cc1 ZINC000420911540 500528352 /nfs/dbraw/zinc/52/83/52/500528352.db2.gz YFISISQDWIUPDJ-CBNMVNINSA-N 1 3 372.557 3.304 20 0 FGADHO CCN1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690805 500544339 /nfs/dbraw/zinc/54/43/39/500544339.db2.gz LSJCOUKOOUOOAF-FPOVZHCZSA-N 1 3 374.573 3.489 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCc3cccc(OC)c3)CC2)CC1 ZINC000420986344 500548621 /nfs/dbraw/zinc/54/86/21/500548621.db2.gz XZMKZPAIUQJACB-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCc3cccc(OC)c3)CC2)CC1 ZINC000420986344 500548623 /nfs/dbraw/zinc/54/86/23/500548623.db2.gz XZMKZPAIUQJACB-UHFFFAOYSA-N 1 3 359.558 3.120 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2sccc2C)CC1 ZINC000573487438 506202823 /nfs/dbraw/zinc/20/28/23/506202823.db2.gz JZEXWIBCZNZXGI-UHFFFAOYSA-N 1 3 351.560 3.117 20 0 FGADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1ccncc1 ZINC000447539261 500620390 /nfs/dbraw/zinc/62/03/90/500620390.db2.gz GIQMCKBUVPQCOL-IHWFROFDSA-N 1 3 367.493 3.384 20 0 FGADHO CCCCc1nc2cc(NC(=O)CCCN3CCC([NH3+])CC3)ccc2[nH]1 ZINC000433114630 500629436 /nfs/dbraw/zinc/62/94/36/500629436.db2.gz GMBXQAPIOQUXLK-UHFFFAOYSA-N 1 3 357.502 3.047 20 0 FGADHO CCCCc1nc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2[nH]1 ZINC000433114630 500629439 /nfs/dbraw/zinc/62/94/39/500629439.db2.gz GMBXQAPIOQUXLK-UHFFFAOYSA-N 1 3 357.502 3.047 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865784 500636037 /nfs/dbraw/zinc/63/60/37/500636037.db2.gz GTTDUEBXQYCIRT-OAHLLOKOSA-N 1 3 373.463 3.304 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888368 500641380 /nfs/dbraw/zinc/64/13/80/500641380.db2.gz GGAHWQDRDBDRBD-SFHVURJKSA-N 1 3 352.526 3.425 20 0 FGADHO COc1ccc(C2CCC([NH2+]CCN3CCN(C)C(C)(C)C3)CC2)cc1 ZINC000442888234 500641602 /nfs/dbraw/zinc/64/16/02/500641602.db2.gz FSWFXRPPAVAVOZ-UHFFFAOYSA-N 1 3 359.558 3.337 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCC23CCC3)CC1 ZINC000433210241 500647529 /nfs/dbraw/zinc/64/75/29/500647529.db2.gz VAUUJAQPYIHJCU-UHFFFAOYSA-N 1 3 355.526 3.094 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(C[NH+](C)C)cc3)cccc21 ZINC000447721654 500653090 /nfs/dbraw/zinc/65/30/90/500653090.db2.gz GWRNMNVBRYWLPK-IBGZPJMESA-N 1 3 353.466 3.386 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000448252167 500738862 /nfs/dbraw/zinc/73/88/62/500738862.db2.gz LZHVGDACBGMKDT-YQVWRLOYSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252167 500738864 /nfs/dbraw/zinc/73/88/64/500738864.db2.gz LZHVGDACBGMKDT-YQVWRLOYSA-N 1 3 364.578 3.059 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000443652706 500750151 /nfs/dbraw/zinc/75/01/51/500750151.db2.gz LOIWOMPWEFNUJQ-APWZRJJASA-N 1 3 362.562 3.127 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000438909483 500833849 /nfs/dbraw/zinc/83/38/49/500833849.db2.gz DESFMTGRTNOXPC-KURKYZTESA-N 1 3 363.571 3.035 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000438909483 500833852 /nfs/dbraw/zinc/83/38/52/500833852.db2.gz DESFMTGRTNOXPC-KURKYZTESA-N 1 3 363.571 3.035 20 0 FGADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000434622127 500867735 /nfs/dbraw/zinc/86/77/35/500867735.db2.gz ATYLMFLXCPMEBI-UHFFFAOYSA-N 1 3 351.441 3.101 20 0 FGADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449080862 500919202 /nfs/dbraw/zinc/91/92/02/500919202.db2.gz ZTTOMCMPHGYRMG-UHFFFAOYSA-N 1 3 355.526 3.356 20 0 FGADHO COCCCN1CCC([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449110589 500927620 /nfs/dbraw/zinc/92/76/20/500927620.db2.gz FBDMGLAARNLRDL-HXUWFJFHSA-N 1 3 373.585 3.173 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439844140 500944887 /nfs/dbraw/zinc/94/48/87/500944887.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000439844140 500944892 /nfs/dbraw/zinc/94/48/92/500944892.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN1C1CCCC1 ZINC000439905071 500953190 /nfs/dbraw/zinc/95/31/90/500953190.db2.gz SLVXOIAWIYZJFC-NRFANRHFSA-N 1 3 355.526 3.306 20 0 FGADHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435371471 500961697 /nfs/dbraw/zinc/96/16/97/500961697.db2.gz VGJSITBKYAEBIT-UHFFFAOYSA-N 1 3 355.482 3.101 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379803 500963488 /nfs/dbraw/zinc/96/34/88/500963488.db2.gz NNTYZXGIDJXNMW-YYWHXJBOSA-N 1 3 365.477 3.117 20 0 FGADHO Cn1nnc2cc(CN(Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425568 500972573 /nfs/dbraw/zinc/97/25/73/500972573.db2.gz DHWSKUQAPJXMEY-IBGZPJMESA-N 1 3 367.522 3.174 20 0 FGADHO Cn1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325056 500977623 /nfs/dbraw/zinc/97/76/23/500977623.db2.gz JNUFUOVIZQPWMJ-SFHVURJKSA-N 1 3 356.489 3.390 20 0 FGADHO Cn1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449325056 500977625 /nfs/dbraw/zinc/97/76/25/500977625.db2.gz JNUFUOVIZQPWMJ-SFHVURJKSA-N 1 3 356.489 3.390 20 0 FGADHO C[C@H](Cc1coc2ccccc12)NCc1ccncc1OCC[NH+](C)C ZINC000449327535 500978957 /nfs/dbraw/zinc/97/89/57/500978957.db2.gz DYBZZWWMURNXNO-MRXNPFEDSA-N 1 3 353.466 3.489 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197892 500986299 /nfs/dbraw/zinc/98/62/99/500986299.db2.gz WVKGLCVVNPEBAF-ADEKHHIBSA-N 1 3 364.578 3.011 20 0 FGADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197892 500986302 /nfs/dbraw/zinc/98/63/02/500986302.db2.gz WVKGLCVVNPEBAF-ADEKHHIBSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CN1C1CC1 ZINC000441287922 501114780 /nfs/dbraw/zinc/11/47/80/501114780.db2.gz RYQJEZQMTFEEND-QZTJIDSGSA-N 1 3 362.562 3.100 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccccc2OCc2ccccc2)CC1(C)C ZINC000441346956 501124743 /nfs/dbraw/zinc/12/47/43/501124743.db2.gz BSYQEFJWJYMZEB-UHFFFAOYSA-N 1 3 367.537 3.381 20 0 FGADHO C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000451056029 501242402 /nfs/dbraw/zinc/24/24/02/501242402.db2.gz NLCJWGYFVOZTTD-OAQYLSRUSA-N 1 3 357.542 3.204 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccncc1 ZINC000453057402 501259935 /nfs/dbraw/zinc/25/99/35/501259935.db2.gz DYWHWEGMINAXHT-QFIPXVFZSA-N 1 3 352.526 3.460 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087035 501265900 /nfs/dbraw/zinc/26/59/00/501265900.db2.gz VHNXDPRYCARPBN-KCLUMXDGSA-N 1 3 357.542 3.324 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087035 501265903 /nfs/dbraw/zinc/26/59/03/501265903.db2.gz VHNXDPRYCARPBN-KCLUMXDGSA-N 1 3 357.542 3.324 20 0 FGADHO C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172536 501384275 /nfs/dbraw/zinc/38/42/75/501384275.db2.gz QUEXZQNDVCRSLG-KNQAVFIVSA-N 1 3 371.569 3.178 20 0 FGADHO C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000458172536 501384279 /nfs/dbraw/zinc/38/42/79/501384279.db2.gz QUEXZQNDVCRSLG-KNQAVFIVSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scnc1C(C)C ZINC000455845235 501399018 /nfs/dbraw/zinc/39/90/18/501399018.db2.gz LSRJBFDOTOVXSB-HNNXBMFYSA-N 1 3 367.563 3.146 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scnc1C(C)C ZINC000455845235 501399019 /nfs/dbraw/zinc/39/90/19/501399019.db2.gz LSRJBFDOTOVXSB-HNNXBMFYSA-N 1 3 367.563 3.146 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000451986922 501413704 /nfs/dbraw/zinc/41/37/04/501413704.db2.gz MAHIJDHSYONYDO-SFHVURJKSA-N 1 3 357.542 3.244 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522833 501465783 /nfs/dbraw/zinc/46/57/83/501465783.db2.gz YKYZSWDDSBZITK-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454190244 501479043 /nfs/dbraw/zinc/47/90/43/501479043.db2.gz IJZCSLLSCOBNFC-LJQANCHMSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000458689420 501508803 /nfs/dbraw/zinc/50/88/03/501508803.db2.gz SSDAQFLKZRALHV-TYPHKJRUSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689420 501508805 /nfs/dbraw/zinc/50/88/05/501508805.db2.gz SSDAQFLKZRALHV-TYPHKJRUSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367189 501524687 /nfs/dbraw/zinc/52/46/87/501524687.db2.gz NSAWSBYMKDYSNU-XLIONFOSSA-N 1 3 370.541 3.138 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459317986 501629620 /nfs/dbraw/zinc/62/96/20/501629620.db2.gz QSXRZILWSSAUBP-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459317986 501629622 /nfs/dbraw/zinc/62/96/22/501629622.db2.gz QSXRZILWSSAUBP-IBGZPJMESA-N 1 3 352.567 3.016 20 0 FGADHO C[C@H]1CN(c2ccccc2CNCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000459378511 501642156 /nfs/dbraw/zinc/64/21/56/501642156.db2.gz OOWHABMLVAHBKZ-SFHVURJKSA-N 1 3 353.510 3.263 20 0 FGADHO CCN1CC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459387809 501644410 /nfs/dbraw/zinc/64/44/10/501644410.db2.gz KFJDZTPVHBICEE-QGZVFWFLSA-N 1 3 353.514 3.492 20 0 FGADHO Fc1ccccc1N1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459446250 501655456 /nfs/dbraw/zinc/65/54/56/501655456.db2.gz DSRLOVOCGHTCMO-SFHVURJKSA-N 1 3 354.473 3.448 20 0 FGADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459515917 501667933 /nfs/dbraw/zinc/66/79/33/501667933.db2.gz DCHJPRDZBXWBAH-UTKZUKDTSA-N 1 3 367.493 3.060 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000457384047 501691110 /nfs/dbraw/zinc/69/11/10/501691110.db2.gz ZOTBZOHTALDGLZ-LJQANCHMSA-N 1 3 360.546 3.243 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460125895 501732286 /nfs/dbraw/zinc/73/22/86/501732286.db2.gz YITZVCWFWRUDDD-UHFFFAOYSA-N 1 3 351.560 3.150 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896437 /nfs/dbraw/zinc/89/64/37/501896437.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 1 3 367.921 3.482 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896441 /nfs/dbraw/zinc/89/64/41/501896441.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 1 3 367.921 3.482 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H](c2cccnc2)C2CCC2)C1 ZINC000481995839 501939653 /nfs/dbraw/zinc/93/96/53/501939653.db2.gz XOOBCOOFZMMNDA-YADHBBJMSA-N 1 3 351.494 3.279 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H](c2cccnc2)C2CCC2)C1 ZINC000481995839 501939656 /nfs/dbraw/zinc/93/96/56/501939656.db2.gz XOOBCOOFZMMNDA-YADHBBJMSA-N 1 3 351.494 3.279 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066781 501945306 /nfs/dbraw/zinc/94/53/06/501945306.db2.gz YDQXNELUVFBGOR-HDICACEKSA-N 1 3 370.541 3.030 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000475149404 502082500 /nfs/dbraw/zinc/08/25/00/502082500.db2.gz DMDWRHPSLSBWST-OAQYLSRUSA-N 1 3 365.521 3.465 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)CC2CCN(C)CC2)CCCC1)c1ccccc1 ZINC000486248108 502098731 /nfs/dbraw/zinc/09/87/31/502098731.db2.gz CFKPEDFKBMKWTR-SFHVURJKSA-N 1 3 357.542 3.498 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526062 502100227 /nfs/dbraw/zinc/10/02/27/502100227.db2.gz SMULXXFKAZXGSZ-IEBWSBKVSA-N 1 3 371.525 3.411 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526062 502100232 /nfs/dbraw/zinc/10/02/32/502100232.db2.gz SMULXXFKAZXGSZ-IEBWSBKVSA-N 1 3 371.525 3.411 20 0 FGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541855 502106506 /nfs/dbraw/zinc/10/65/06/502106506.db2.gz HHTAAFATVPADDF-MLGOLLRUSA-N 1 3 370.324 3.158 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1CCCCCC1 ZINC000461445752 502116814 /nfs/dbraw/zinc/11/68/14/502116814.db2.gz FQHPGMZJXSCTET-HJNYFJLDSA-N 1 3 369.553 3.231 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1CCCCCC1 ZINC000461445752 502116819 /nfs/dbraw/zinc/11/68/19/502116819.db2.gz FQHPGMZJXSCTET-HJNYFJLDSA-N 1 3 369.553 3.231 20 0 FGADHO N[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000471791589 502138117 /nfs/dbraw/zinc/13/81/17/502138117.db2.gz WMKNAWCQAGTMSM-BHDDXSALSA-N 1 3 365.521 3.275 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N2CCCC2)cc1 ZINC000479205368 502192871 /nfs/dbraw/zinc/19/28/71/502192871.db2.gz LECKGYPFRVVAQW-LEWJYISDSA-N 1 3 369.484 3.130 20 0 FGADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482886044 502207113 /nfs/dbraw/zinc/20/71/13/502207113.db2.gz IGFWEWCGHSJLFY-GOSISDBHSA-N 1 3 351.922 3.323 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000472129379 502242417 /nfs/dbraw/zinc/24/24/17/502242417.db2.gz BCTCQVRABMIQLJ-SQNIBIBYSA-N 1 3 369.509 3.058 20 0 FGADHO CC(C)OCC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163675 502254105 /nfs/dbraw/zinc/25/41/05/502254105.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 1 3 360.542 3.151 20 0 FGADHO CC(C)OCC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163675 502254111 /nfs/dbraw/zinc/25/41/11/502254111.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 1 3 360.542 3.151 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435655 502262278 /nfs/dbraw/zinc/26/22/78/502262278.db2.gz BPUOMAHUPFSBMW-FPOVZHCZSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435655 502262283 /nfs/dbraw/zinc/26/22/83/502262283.db2.gz BPUOMAHUPFSBMW-FPOVZHCZSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000462010636 502273352 /nfs/dbraw/zinc/27/33/52/502273352.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000462010636 502273354 /nfs/dbraw/zinc/27/33/54/502273354.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275960 /nfs/dbraw/zinc/27/59/60/502275960.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275964 /nfs/dbraw/zinc/27/59/64/502275964.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 1 3 374.573 3.410 20 0 FGADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479537778 502289818 /nfs/dbraw/zinc/28/98/18/502289818.db2.gz AMNGZBVMGSQJRM-QBKZBJQZSA-N 1 3 357.542 3.055 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465532772 502292454 /nfs/dbraw/zinc/29/24/54/502292454.db2.gz GYGLQQWNSGKHDT-VQTJNVASSA-N 1 3 372.557 3.167 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566884 502309556 /nfs/dbraw/zinc/30/95/56/502309556.db2.gz GQVOHCUDIMCSFJ-OAQYLSRUSA-N 1 3 372.557 3.202 20 0 FGADHO CO[C@H](CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000469321212 502375109 /nfs/dbraw/zinc/37/51/09/502375109.db2.gz HDHZWBJAEWDUNE-BSDSXHPESA-N 1 3 356.432 3.454 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000465767554 502377412 /nfs/dbraw/zinc/37/74/12/502377412.db2.gz CAQCOZPQEZPJCQ-XYJFISCASA-N 1 3 366.575 3.161 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465767551 502377761 /nfs/dbraw/zinc/37/77/61/502377761.db2.gz CAQCOZPQEZPJCQ-BQFCYCMXSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000465769584 502378474 /nfs/dbraw/zinc/37/84/74/502378474.db2.gz HNXCNSCAESQKIH-RXVVDRJESA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCN1C ZINC000465817614 502393843 /nfs/dbraw/zinc/39/38/43/502393843.db2.gz SZKRXQWEBLCJSP-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000469421105 502410515 /nfs/dbraw/zinc/41/05/15/502410515.db2.gz YLSBVKHNAGXPDB-OAQYLSRUSA-N 1 3 374.573 3.317 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740456 502554772 /nfs/dbraw/zinc/55/47/72/502554772.db2.gz BEVZWIKMWATZDC-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740456 502554778 /nfs/dbraw/zinc/55/47/78/502554778.db2.gz BEVZWIKMWATZDC-OAQYLSRUSA-N 1 3 374.573 3.270 20 0 FGADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748965 502557351 /nfs/dbraw/zinc/55/73/51/502557351.db2.gz GLKHVJHGBXRDES-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748965 502557355 /nfs/dbraw/zinc/55/73/55/502557355.db2.gz GLKHVJHGBXRDES-NRFANRHFSA-N 1 3 372.557 3.026 20 0 FGADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865752 502574757 /nfs/dbraw/zinc/57/47/57/502574757.db2.gz YZCIZYNBHKKHID-QFBILLFUSA-N 1 3 363.933 3.037 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290292 502615300 /nfs/dbraw/zinc/61/53/00/502615300.db2.gz BZMSKMBEVUMGMB-SQNIBIBYSA-N 1 3 364.534 3.130 20 0 FGADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676584 /nfs/dbraw/zinc/67/65/84/502676584.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 1 3 357.542 3.279 20 0 FGADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676590 /nfs/dbraw/zinc/67/65/90/502676590.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 1 3 357.542 3.279 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC(C)(C)CN1CCCC1 ZINC000480906624 502702485 /nfs/dbraw/zinc/70/24/85/502702485.db2.gz CWZSDKUEGSVHOU-UHFFFAOYSA-N 1 3 374.481 3.440 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418888 502709119 /nfs/dbraw/zinc/70/91/19/502709119.db2.gz TUVJPVPKVPBHRZ-SFTDATJTSA-N 1 3 361.599 3.444 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416304 502709670 /nfs/dbraw/zinc/70/96/70/502709670.db2.gz QKOYXIYKLNJIOH-RTWAWAEBSA-N 1 3 361.599 3.444 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271121 502742634 /nfs/dbraw/zinc/74/26/34/502742634.db2.gz IOCFWVRHQKWTMA-GHTZIAJQSA-N 1 3 372.557 3.119 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000481180068 502775237 /nfs/dbraw/zinc/77/52/37/502775237.db2.gz LDGHFWAHECAAQZ-SFGWALBWSA-N 1 3 371.569 3.490 20 0 FGADHO CC(C)[N@@H+]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000505267246 502879742 /nfs/dbraw/zinc/87/97/42/502879742.db2.gz UCIUNHYFMUAXDR-UHFFFAOYSA-N 1 3 358.574 3.133 20 0 FGADHO CC(C)[N@H+]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000505267246 502879746 /nfs/dbraw/zinc/87/97/46/502879746.db2.gz UCIUNHYFMUAXDR-UHFFFAOYSA-N 1 3 358.574 3.133 20 0 FGADHO CN(CC(=O)NCCC1=CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027239 502915253 /nfs/dbraw/zinc/91/52/53/502915253.db2.gz UXOYJRCEXPZFFN-UHFFFAOYSA-N 1 3 370.541 3.237 20 0 FGADHO CC(C)CN(CC(C)C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051193 502923376 /nfs/dbraw/zinc/92/33/76/502923376.db2.gz GTTNWWNMTODJAH-UHFFFAOYSA-N 1 3 374.573 3.370 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000501166722 502952990 /nfs/dbraw/zinc/95/29/90/502952990.db2.gz UCGNDTFVEAHPFJ-GOSISDBHSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178287 502953955 /nfs/dbraw/zinc/95/39/55/502953955.db2.gz YGQPJXCQRUFMMD-RCCFBDPRSA-N 1 3 364.559 3.057 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178287 502953959 /nfs/dbraw/zinc/95/39/59/502953959.db2.gz YGQPJXCQRUFMMD-RCCFBDPRSA-N 1 3 364.559 3.057 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000513667335 502995415 /nfs/dbraw/zinc/99/54/15/502995415.db2.gz QNILEKZDSYCMRV-PVAVHDDUSA-N 1 3 350.890 3.464 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000489793880 503036405 /nfs/dbraw/zinc/03/64/05/503036405.db2.gz CZEUWPPADNZYOU-LEWJYISDSA-N 1 3 372.557 3.345 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000513899898 503044646 /nfs/dbraw/zinc/04/46/46/503044646.db2.gz MFQKKKYGXTWWMS-FQEVSTJZSA-N 1 3 360.546 3.163 20 0 FGADHO C[C@H](C(=O)N(C)CC1CCN(c2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000501863442 503096831 /nfs/dbraw/zinc/09/68/31/503096831.db2.gz PPGSNPWODNXXJJ-KZNAEPCWSA-N 1 3 358.530 3.018 20 0 FGADHO Cn1c(=O)oc2cc(C[NH2+]CC3CCN(Cc4cccs4)CC3)ccc21 ZINC000510369208 503100911 /nfs/dbraw/zinc/10/09/11/503100911.db2.gz LCMMFRLEOSLGAI-UHFFFAOYSA-N 1 3 371.506 3.195 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2(C)CCCC2)CC1 ZINC000490132533 503115155 /nfs/dbraw/zinc/11/51/55/503115155.db2.gz IYTSXPKWFWONAV-UHFFFAOYSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514221440 503116930 /nfs/dbraw/zinc/11/69/30/503116930.db2.gz HTZHGIOVNRYSNF-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514221440 503116934 /nfs/dbraw/zinc/11/69/34/503116934.db2.gz HTZHGIOVNRYSNF-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000490167191 503121320 /nfs/dbraw/zinc/12/13/20/503121320.db2.gz GWVCZDAJVUUSNC-GHTZIAJQSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000502148795 503150270 /nfs/dbraw/zinc/15/02/70/503150270.db2.gz YCWHUTMIOJYENM-QWFCFKBJSA-N 1 3 360.546 3.242 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510735375 503182006 /nfs/dbraw/zinc/18/20/06/503182006.db2.gz OEHMAPHPMDFNRA-LEWJYISDSA-N 1 3 355.526 3.181 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CN(C)C)c1)Cc1ccccc1 ZINC000498555988 503210302 /nfs/dbraw/zinc/21/03/02/503210302.db2.gz DDDOCPFGBDKJIH-QFIPXVFZSA-N 1 3 367.537 3.431 20 0 FGADHO CCN(C)c1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221693 /nfs/dbraw/zinc/22/16/93/503221693.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 1 3 364.537 3.492 20 0 FGADHO CCN(C)c1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221695 /nfs/dbraw/zinc/22/16/95/503221695.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 1 3 364.537 3.492 20 0 FGADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000514976468 503240072 /nfs/dbraw/zinc/24/00/72/503240072.db2.gz BRXRQRMNUNXIMW-RBUKOAKNSA-N 1 3 354.897 3.379 20 0 FGADHO Cc1ccc(SCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1C ZINC000490997895 503257738 /nfs/dbraw/zinc/25/77/38/503257738.db2.gz UDVYSMXMFGBPJY-PZJWPPBQSA-N 1 3 361.599 3.353 20 0 FGADHO Cc1ccc(C)c(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000491021623 503262009 /nfs/dbraw/zinc/26/20/09/503262009.db2.gz QHSNKGZXJKKFHN-NHCUHLMSSA-N 1 3 359.558 3.030 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899929 503303156 /nfs/dbraw/zinc/30/31/56/503303156.db2.gz QESVJINPIRAVCA-JQHSSLGASA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899929 503303159 /nfs/dbraw/zinc/30/31/59/503303159.db2.gz QESVJINPIRAVCA-JQHSSLGASA-N 1 3 362.518 3.025 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000499093781 503332441 /nfs/dbraw/zinc/33/24/41/503332441.db2.gz MFNGLCRGLXBRIM-XFKSJGNHSA-N 1 3 360.546 3.158 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000499108874 503336569 /nfs/dbraw/zinc/33/65/69/503336569.db2.gz CRNINFCCNASHLI-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000499108874 503336573 /nfs/dbraw/zinc/33/65/73/503336573.db2.gz CRNINFCCNASHLI-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000503093943 503345557 /nfs/dbraw/zinc/34/55/57/503345557.db2.gz ZSDJFZLYXKNKOR-HMXCVIKNSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000503093943 503345561 /nfs/dbraw/zinc/34/55/61/503345561.db2.gz ZSDJFZLYXKNKOR-HMXCVIKNSA-N 1 3 372.557 3.386 20 0 FGADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000515476801 503346449 /nfs/dbraw/zinc/34/64/49/503346449.db2.gz TZZLVXUTJARGJK-RVKKMQEKSA-N 1 3 350.478 3.301 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C ZINC000499312229 503378664 /nfs/dbraw/zinc/37/86/64/503378664.db2.gz KFMSICABEJWWRG-LNLFQRSKSA-N 1 3 362.562 3.262 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511855841 503401153 /nfs/dbraw/zinc/40/11/53/503401153.db2.gz RCYNHHYOIGWRFM-BHDDXSALSA-N 1 3 369.553 3.244 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000511924544 503416584 /nfs/dbraw/zinc/41/65/84/503416584.db2.gz VZIWYUZFYDMIFS-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000511924544 503416586 /nfs/dbraw/zinc/41/65/86/503416586.db2.gz VZIWYUZFYDMIFS-ZWKOTPCHSA-N 1 3 366.937 3.116 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506635 503421433 /nfs/dbraw/zinc/42/14/33/503421433.db2.gz GMDATQMMEIMEHP-KRWDZBQOSA-N 1 3 371.447 3.194 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506635 503421438 /nfs/dbraw/zinc/42/14/38/503421438.db2.gz GMDATQMMEIMEHP-KRWDZBQOSA-N 1 3 371.447 3.194 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3ncc(CN(C)C)s3)CC2)CC1 ZINC000512054010 503445141 /nfs/dbraw/zinc/44/51/41/503445141.db2.gz UIYMJBOIGFYPIT-UHFFFAOYSA-N 1 3 350.576 3.337 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000508179760 503446656 /nfs/dbraw/zinc/44/66/56/503446656.db2.gz JUTLZRLHGHVINB-UHFFFAOYSA-N 1 3 362.468 3.492 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000508179760 503446657 /nfs/dbraw/zinc/44/66/57/503446657.db2.gz JUTLZRLHGHVINB-UHFFFAOYSA-N 1 3 362.468 3.492 20 0 FGADHO Cc1cc(Br)cc2c1[C@H](NCCC[NH+]1CCC(O)CC1)CC2 ZINC000493944206 503463113 /nfs/dbraw/zinc/46/31/13/503463113.db2.gz HOGUSCGHCIJNAW-QGZVFWFLSA-N 1 3 367.331 3.181 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000516181241 503464265 /nfs/dbraw/zinc/46/42/65/503464265.db2.gz AVKCBLNCEUOHLO-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000516181241 503464271 /nfs/dbraw/zinc/46/42/71/503464271.db2.gz AVKCBLNCEUOHLO-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000499887293 503502668 /nfs/dbraw/zinc/50/26/68/503502668.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000499887293 503502674 /nfs/dbraw/zinc/50/26/74/503502674.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 1 3 357.542 3.374 20 0 FGADHO Cn1c2ccc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506701 /nfs/dbraw/zinc/50/67/01/503506701.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 1 3 365.477 3.085 20 0 FGADHO Cn1c2ccc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506705 /nfs/dbraw/zinc/50/67/05/503506705.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 1 3 365.477 3.085 20 0 FGADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](c2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000516559056 503536044 /nfs/dbraw/zinc/53/60/44/503536044.db2.gz RLCPMDLDMXRPQX-QFUCXCTJSA-N 1 3 360.546 3.099 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545764 /nfs/dbraw/zinc/54/57/64/503545764.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545769 /nfs/dbraw/zinc/54/57/69/503545769.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccc([C@H]([NH2+]CCCCN2CCN(C)CC2)C(C)C)c(F)c1 ZINC000516642034 503558394 /nfs/dbraw/zinc/55/83/94/503558394.db2.gz HILQILGFIQRAMQ-HXUWFJFHSA-N 1 3 351.510 3.149 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C ZINC000508842186 503574888 /nfs/dbraw/zinc/57/48/88/503574888.db2.gz BLCRKSJWDAHLIT-PKOBYXMFSA-N 1 3 360.546 3.112 20 0 FGADHO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000494638106 503580190 /nfs/dbraw/zinc/58/01/90/503580190.db2.gz OXUWGTUJRGNDSM-IFMALSPDSA-N 1 3 355.526 3.033 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508872394 503584455 /nfs/dbraw/zinc/58/44/55/503584455.db2.gz RQQGDYGBVRVAKA-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508872394 503584459 /nfs/dbraw/zinc/58/44/59/503584459.db2.gz RQQGDYGBVRVAKA-NQIIRXRSSA-N 1 3 372.557 3.338 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000494668152 503588340 /nfs/dbraw/zinc/58/83/40/503588340.db2.gz WBCLBFWPNQRJDG-WWMYMODYSA-N 1 3 374.548 3.101 20 0 FGADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)cc(OC)c1OCC(F)F ZINC000516815164 503592063 /nfs/dbraw/zinc/59/20/63/503592063.db2.gz VGDFNRQJDPIPIZ-UHFFFAOYSA-N 1 3 372.456 3.121 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512667856 503608151 /nfs/dbraw/zinc/60/81/51/503608151.db2.gz RJCMBVPKVKZKLG-QKNQBKEWSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512667856 503608156 /nfs/dbraw/zinc/60/81/56/503608156.db2.gz RJCMBVPKVKZKLG-QKNQBKEWSA-N 1 3 369.484 3.490 20 0 FGADHO Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512667856 503608160 /nfs/dbraw/zinc/60/81/60/503608160.db2.gz RJCMBVPKVKZKLG-QKNQBKEWSA-N 1 3 369.484 3.490 20 0 FGADHO CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)cc(Br)c1[O-] ZINC000516955724 503630212 /nfs/dbraw/zinc/63/02/12/503630212.db2.gz MSGAZLYOEOHHDV-UHFFFAOYSA-N 1 3 371.319 3.375 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988297 503645898 /nfs/dbraw/zinc/64/58/98/503645898.db2.gz NNNGOYLSCFMTNA-AWEZNQCLSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988297 503645899 /nfs/dbraw/zinc/64/58/99/503645899.db2.gz NNNGOYLSCFMTNA-AWEZNQCLSA-N 1 3 370.900 3.359 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517064011 503652551 /nfs/dbraw/zinc/65/25/51/503652551.db2.gz RZGLYEMDWXSXGM-QWFCFKBJSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517064011 503652560 /nfs/dbraw/zinc/65/25/60/503652560.db2.gz RZGLYEMDWXSXGM-QWFCFKBJSA-N 1 3 360.546 3.242 20 0 FGADHO COc1ccsc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536666716 503668710 /nfs/dbraw/zinc/66/87/10/503668710.db2.gz SKDHAMICRMMQIA-UHFFFAOYSA-N 1 3 365.587 3.385 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000536666706 503669312 /nfs/dbraw/zinc/66/93/12/503669312.db2.gz RTWUOPKHAQEDGO-NQIIRXRSSA-N 1 3 371.569 3.248 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000536666706 503669315 /nfs/dbraw/zinc/66/93/15/503669315.db2.gz RTWUOPKHAQEDGO-NQIIRXRSSA-N 1 3 371.569 3.248 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719657 503679153 /nfs/dbraw/zinc/67/91/53/503679153.db2.gz NWELTCUUFSGFAQ-QFIPXVFZSA-N 1 3 369.553 3.422 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000527113995 503685342 /nfs/dbraw/zinc/68/53/42/503685342.db2.gz XIRJQMOOSLFONW-FQEVSTJZSA-N 1 3 366.509 3.036 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000533159286 503744989 /nfs/dbraw/zinc/74/49/89/503744989.db2.gz SEEGWQXCEBRQJI-UHFFFAOYSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@@H](C)O1 ZINC000543394339 503751230 /nfs/dbraw/zinc/75/12/30/503751230.db2.gz IRXQUERYJMJXMB-IAGOWNOFSA-N 1 3 374.554 3.255 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000517512883 503760660 /nfs/dbraw/zinc/76/06/60/503760660.db2.gz DQCALXUQARXXKG-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCN2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566084 503790857 /nfs/dbraw/zinc/79/08/57/503790857.db2.gz JXIUJSMGACBKAE-NRFANRHFSA-N 1 3 370.541 3.083 20 0 FGADHO CCC1(C[NH2+][C@H](C)CS(=O)(=O)CC)CCN(Cc2ccccc2)CC1 ZINC000537093199 503800082 /nfs/dbraw/zinc/80/00/82/503800082.db2.gz BKXCATYQMAHTOM-GOSISDBHSA-N 1 3 366.571 3.092 20 0 FGADHO C[C@H]1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H](C)C1 ZINC000533361032 503817569 /nfs/dbraw/zinc/81/75/69/503817569.db2.gz SVSCVLLPPCTHOU-QZTJIDSGSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CCN(C)CC1 ZINC000540607479 503832793 /nfs/dbraw/zinc/83/27/93/503832793.db2.gz UARUFJSFMHAACC-CYBMUJFWSA-N 1 3 355.404 3.274 20 0 FGADHO CC(C)[C@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000540707151 503863195 /nfs/dbraw/zinc/86/31/95/503863195.db2.gz PZUARTGCGUFUCL-DHIUTWEWSA-N 1 3 373.585 3.378 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023371 503892059 /nfs/dbraw/zinc/89/20/59/503892059.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023371 503892065 /nfs/dbraw/zinc/89/20/65/503892065.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518067822 503902169 /nfs/dbraw/zinc/90/21/69/503902169.db2.gz DKWYBOLPCCIGFN-CEXWTWQISA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518067822 503902174 /nfs/dbraw/zinc/90/21/74/503902174.db2.gz DKWYBOLPCCIGFN-CEXWTWQISA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+](CCC1CC1)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000546931746 503931491 /nfs/dbraw/zinc/93/14/91/503931491.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 1 3 357.542 3.151 20 0 FGADHO CC[N@@H+](CCC1CC1)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000546931746 503931494 /nfs/dbraw/zinc/93/14/94/503931494.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 1 3 357.542 3.151 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976269 503961551 /nfs/dbraw/zinc/96/15/51/503961551.db2.gz HFHBWMCCZUWKJE-LRSLUSHPSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976269 503961556 /nfs/dbraw/zinc/96/15/56/503961556.db2.gz HFHBWMCCZUWKJE-LRSLUSHPSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976269 503961560 /nfs/dbraw/zinc/96/15/60/503961560.db2.gz HFHBWMCCZUWKJE-LRSLUSHPSA-N 1 3 358.526 3.072 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000527950022 504013123 /nfs/dbraw/zinc/01/31/23/504013123.db2.gz OUOMJJSSXBQEJY-JBACZVJFSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518593126 504022539 /nfs/dbraw/zinc/02/25/39/504022539.db2.gz ZVGHPAPGGWYHBM-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000518593126 504022543 /nfs/dbraw/zinc/02/25/43/504022543.db2.gz ZVGHPAPGGWYHBM-HSALFYBXSA-N 1 3 364.578 3.014 20 0 FGADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607494 504025965 /nfs/dbraw/zinc/02/59/65/504025965.db2.gz CQEMYWWKZCFIBW-UXHICEINSA-N 1 3 361.530 3.240 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000518758085 504055553 /nfs/dbraw/zinc/05/55/53/504055553.db2.gz RBAMFMDWZXOTIX-LJQANCHMSA-N 1 3 362.901 3.321 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000518758085 504055557 /nfs/dbraw/zinc/05/55/57/504055557.db2.gz RBAMFMDWZXOTIX-LJQANCHMSA-N 1 3 362.901 3.321 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000518998579 504113954 /nfs/dbraw/zinc/11/39/54/504113954.db2.gz NWSXIALFICDYSV-LJQANCHMSA-N 1 3 366.594 3.262 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000518998579 504113962 /nfs/dbraw/zinc/11/39/62/504113962.db2.gz NWSXIALFICDYSV-LJQANCHMSA-N 1 3 366.594 3.262 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N(C)C1CC1 ZINC000519204728 504165063 /nfs/dbraw/zinc/16/50/63/504165063.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N(C)C1CC1 ZINC000519204728 504165067 /nfs/dbraw/zinc/16/50/67/504165067.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 1 3 372.557 3.343 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536715 504169264 /nfs/dbraw/zinc/16/92/64/504169264.db2.gz JJTIIAJFUZQRDC-RXVVDRJESA-N 1 3 352.526 3.001 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536713 504169714 /nfs/dbraw/zinc/16/97/14/504169714.db2.gz JJTIIAJFUZQRDC-GHTZIAJQSA-N 1 3 352.526 3.001 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190996 /nfs/dbraw/zinc/19/09/96/504190996.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190999 /nfs/dbraw/zinc/19/09/99/504190999.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519381311 504208328 /nfs/dbraw/zinc/20/83/28/504208328.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519381311 504208334 /nfs/dbraw/zinc/20/83/34/504208334.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000519449719 504224426 /nfs/dbraw/zinc/22/44/26/504224426.db2.gz KXWDDRXROBVIPB-AZUAARDMSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406626 504238043 /nfs/dbraw/zinc/23/80/43/504238043.db2.gz MVKSZXRODCAMEC-INIZCTEOSA-N 1 3 362.539 3.315 20 0 FGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406626 504238050 /nfs/dbraw/zinc/23/80/50/504238050.db2.gz MVKSZXRODCAMEC-INIZCTEOSA-N 1 3 362.539 3.315 20 0 FGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCCC2 ZINC000538406465 504238352 /nfs/dbraw/zinc/23/83/52/504238352.db2.gz GUIGTLLMISJXIS-MOPGFXCFSA-N 1 3 361.530 3.240 20 0 FGADHO COc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1Cl ZINC000538548082 504281106 /nfs/dbraw/zinc/28/11/06/504281106.db2.gz XBRNIHFZULMBOU-PBHICJAKSA-N 1 3 369.937 3.092 20 0 FGADHO CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544876331 504287564 /nfs/dbraw/zinc/28/75/64/504287564.db2.gz ZNTIOIKMFWJXNA-NRFANRHFSA-N 1 3 366.509 3.031 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000528657041 504316751 /nfs/dbraw/zinc/31/67/51/504316751.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 1 3 357.542 3.134 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000528657041 504316755 /nfs/dbraw/zinc/31/67/55/504316755.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000519770547 504333647 /nfs/dbraw/zinc/33/36/47/504333647.db2.gz OPUMSBUUIVMSJS-GOSISDBHSA-N 1 3 368.953 3.361 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc2c1OCO2 ZINC000538724036 504344222 /nfs/dbraw/zinc/34/42/22/504344222.db2.gz NYNLDRVTOJOTBO-UHFFFAOYSA-N 1 3 373.541 3.043 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075796 504465897 /nfs/dbraw/zinc/46/58/97/504465897.db2.gz LMTUHSTWIQORQR-BBWFWOEESA-N 1 3 359.514 3.111 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937455 504480746 /nfs/dbraw/zinc/48/07/46/504480746.db2.gz ASLGLAXJORVKID-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937455 504480748 /nfs/dbraw/zinc/48/07/48/504480748.db2.gz ASLGLAXJORVKID-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937455 504480751 /nfs/dbraw/zinc/48/07/51/504480751.db2.gz ASLGLAXJORVKID-UGKGYDQZSA-N 1 3 370.541 3.158 20 0 FGADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681295 504506457 /nfs/dbraw/zinc/50/64/57/504506457.db2.gz RZRHAFXNYLOZTE-LJQANCHMSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681295 504506460 /nfs/dbraw/zinc/50/64/60/504506460.db2.gz RZRHAFXNYLOZTE-LJQANCHMSA-N 1 3 357.542 3.230 20 0 FGADHO Cc1c(NCC(C)(C)C)cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532058748 504521150 /nfs/dbraw/zinc/52/11/50/504521150.db2.gz VQPFYTVVIHRUAV-UHFFFAOYSA-N 1 3 362.562 3.018 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299132 504522949 /nfs/dbraw/zinc/52/29/49/504522949.db2.gz WDKZZTJQGYKIHJ-OTWHNJEPSA-N 1 3 368.525 3.337 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299132 504522950 /nfs/dbraw/zinc/52/29/50/504522950.db2.gz WDKZZTJQGYKIHJ-OTWHNJEPSA-N 1 3 368.525 3.337 20 0 FGADHO CCOc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000532120142 504541349 /nfs/dbraw/zinc/54/13/49/504541349.db2.gz XCQKLYZNOMPNIF-UHFFFAOYSA-N 1 3 372.456 3.012 20 0 FGADHO NC(=O)[C@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000542729805 504589600 /nfs/dbraw/zinc/58/96/00/504589600.db2.gz SGMLAQQCRGVNKO-QFIPXVFZSA-N 1 3 365.521 3.249 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000532270291 504592700 /nfs/dbraw/zinc/59/27/00/504592700.db2.gz ZQHFRTXPAKVNKP-HXUWFJFHSA-N 1 3 357.542 3.410 20 0 FGADHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976731 504642538 /nfs/dbraw/zinc/64/25/38/504642538.db2.gz FCOXQBSISLUDNK-OALUTQOASA-N 1 3 370.541 3.375 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536170749 504656159 /nfs/dbraw/zinc/65/61/59/504656159.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 1 3 372.557 3.386 20 0 FGADHO CN1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536170749 504656166 /nfs/dbraw/zinc/65/61/66/504656166.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 1 3 372.557 3.386 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000539832426 504708963 /nfs/dbraw/zinc/70/89/63/504708963.db2.gz VRLPUUCLNGSQIN-UHFFFAOYSA-N 1 3 360.420 3.170 20 0 FGADHO OC1CC[NH+](CCCN[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546163660 504731524 /nfs/dbraw/zinc/73/15/24/504731524.db2.gz OPTXDFCCRZLOGI-NRFANRHFSA-N 1 3 373.928 3.455 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000532834083 504765397 /nfs/dbraw/zinc/76/53/97/504765397.db2.gz SGONNVVPYQLGBS-UHFFFAOYSA-N 1 3 374.573 3.461 20 0 FGADHO Cc1cc(C)n(-c2ccc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2)n1 ZINC000565044272 504779761 /nfs/dbraw/zinc/77/97/61/504779761.db2.gz QZROLYSUTHAGRG-FCHUYYIVSA-N 1 3 368.525 3.207 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000565559715 504922671 /nfs/dbraw/zinc/92/26/71/504922671.db2.gz RRIJSDSNQPVBDI-QFBILLFUSA-N 1 3 363.546 3.359 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCCn1ccnc1)c1ccccc1O2 ZINC000565575661 504926786 /nfs/dbraw/zinc/92/67/86/504926786.db2.gz XYKMIWVRHIOZMV-LJQANCHMSA-N 1 3 354.498 3.241 20 0 FGADHO Cc1ccc(OC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1C ZINC000565599316 504933468 /nfs/dbraw/zinc/93/34/68/504933468.db2.gz YUYSRKWJFHFGDU-GOTSBHOMSA-N 1 3 368.521 3.078 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000565654951 504950406 /nfs/dbraw/zinc/95/04/06/504950406.db2.gz ZMPSTXLCMAVCCD-XLIONFOSSA-N 1 3 360.542 3.272 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832951 504989164 /nfs/dbraw/zinc/98/91/64/504989164.db2.gz NTMJITHHEIFYLS-GOSISDBHSA-N 1 3 366.509 3.148 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832951 504989167 /nfs/dbraw/zinc/98/91/67/504989167.db2.gz NTMJITHHEIFYLS-GOSISDBHSA-N 1 3 366.509 3.148 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553775237 505006167 /nfs/dbraw/zinc/00/61/67/505006167.db2.gz SHNHFOBQGVAGIA-QFUCXCTJSA-N 1 3 373.516 3.123 20 0 FGADHO O=C(CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984396 505009977 /nfs/dbraw/zinc/00/99/77/505009977.db2.gz KGDPSMORIFPDIY-FQEVSTJZSA-N 1 3 351.494 3.169 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984396 505009979 /nfs/dbraw/zinc/00/99/79/505009979.db2.gz KGDPSMORIFPDIY-FQEVSTJZSA-N 1 3 351.494 3.169 20 0 FGADHO O=C(CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984396 505009982 /nfs/dbraw/zinc/00/99/82/505009982.db2.gz KGDPSMORIFPDIY-FQEVSTJZSA-N 1 3 351.494 3.169 20 0 FGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553875666 505030512 /nfs/dbraw/zinc/03/05/12/505030512.db2.gz KHQPRYNWRXHULS-ROUUACIJSA-N 1 3 364.534 3.006 20 0 FGADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000565939830 505032950 /nfs/dbraw/zinc/03/29/50/505032950.db2.gz ICDKETUQBBJYNW-IBGZPJMESA-N 1 3 374.529 3.061 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2c(c1)CNCC2 ZINC000557032512 505048839 /nfs/dbraw/zinc/04/88/39/505048839.db2.gz FYNCTFIDONHXMU-UHFFFAOYSA-N 1 3 364.493 3.250 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036129 505049290 /nfs/dbraw/zinc/04/92/90/505049290.db2.gz ZNGCVSKTFOYMNY-WBVHZDCISA-N 1 3 356.514 3.107 20 0 FGADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036129 505049295 /nfs/dbraw/zinc/04/92/95/505049295.db2.gz ZNGCVSKTFOYMNY-WBVHZDCISA-N 1 3 356.514 3.107 20 0 FGADHO [NH3+]C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCCC1 ZINC000557137431 505075776 /nfs/dbraw/zinc/07/57/76/505075776.db2.gz MVVJNOGYNZZEEJ-MRXNPFEDSA-N 1 3 364.559 3.236 20 0 FGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089293 505077172 /nfs/dbraw/zinc/07/71/72/505077172.db2.gz UCRFYRDURFLTIL-VHRBIJSZSA-N 1 3 362.827 3.050 20 0 FGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000566089293 505077177 /nfs/dbraw/zinc/07/71/77/505077177.db2.gz UCRFYRDURFLTIL-VHRBIJSZSA-N 1 3 362.827 3.050 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000554192599 505112808 /nfs/dbraw/zinc/11/28/08/505112808.db2.gz ZYFJOVPEAAUPPT-NLWGTHIKSA-N 1 3 360.546 3.017 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000554192599 505112812 /nfs/dbraw/zinc/11/28/12/505112812.db2.gz ZYFJOVPEAAUPPT-NLWGTHIKSA-N 1 3 360.546 3.017 20 0 FGADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000560528244 505115884 /nfs/dbraw/zinc/11/58/84/505115884.db2.gz OGWGOBDBGJONRX-FNAHDJPLSA-N 1 3 359.558 3.158 20 0 FGADHO O=C(C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)NCCN1CCCCCC1 ZINC000560547360 505122050 /nfs/dbraw/zinc/12/20/50/505122050.db2.gz SJNZWSMBSJRFOZ-NRFANRHFSA-N 1 3 373.516 3.343 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000560619471 505146282 /nfs/dbraw/zinc/14/62/82/505146282.db2.gz VGBFEEZYCFZPGN-HSZRJFAPSA-N 1 3 373.585 3.449 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000560619471 505146286 /nfs/dbraw/zinc/14/62/86/505146286.db2.gz VGBFEEZYCFZPGN-HSZRJFAPSA-N 1 3 373.585 3.449 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159086 /nfs/dbraw/zinc/15/90/86/505159086.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 1 3 372.557 3.194 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159089 /nfs/dbraw/zinc/15/90/89/505159089.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 1 3 372.557 3.194 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)CC1 ZINC000557562083 505168106 /nfs/dbraw/zinc/16/81/06/505168106.db2.gz CSVUBMDRTJEVJO-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000554443910 505175277 /nfs/dbraw/zinc/17/52/77/505175277.db2.gz VFZZKVABLICDCI-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(CN(C)C)c1 ZINC000557617207 505183405 /nfs/dbraw/zinc/18/34/05/505183405.db2.gz KGLZAAQJMWRBJV-SFHVURJKSA-N 1 3 361.555 3.213 20 0 FGADHO COc1cc(F)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897417 505208960 /nfs/dbraw/zinc/20/89/60/505208960.db2.gz FGLYQCFFGWBJFX-XHSDSOJGSA-N 1 3 368.493 3.383 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921083 505211133 /nfs/dbraw/zinc/21/11/33/505211133.db2.gz VVAXCPPZKBUQDX-RLLQIKCJSA-N 1 3 350.547 3.347 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000563873508 505264156 /nfs/dbraw/zinc/26/41/56/505264156.db2.gz KAPPVRQVDFRVDA-OAQYLSRUSA-N 1 3 366.509 3.319 20 0 FGADHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881273 505265615 /nfs/dbraw/zinc/26/56/15/505265615.db2.gz FDPWHKLUVVXKDJ-DNVCBOLYSA-N 1 3 358.511 3.144 20 0 FGADHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881273 505265618 /nfs/dbraw/zinc/26/56/18/505265618.db2.gz FDPWHKLUVVXKDJ-DNVCBOLYSA-N 1 3 358.511 3.144 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000566791415 505274272 /nfs/dbraw/zinc/27/42/72/505274272.db2.gz BCPNKYYOZFUSER-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000566791415 505274274 /nfs/dbraw/zinc/27/42/74/505274274.db2.gz BCPNKYYOZFUSER-NRFANRHFSA-N 1 3 356.510 3.365 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870582 505296515 /nfs/dbraw/zinc/29/65/15/505296515.db2.gz ZTFBSBJWWCDUMD-BVSLBCMMSA-N 1 3 372.553 3.462 20 0 FGADHO CCc1ccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000558080387 505302843 /nfs/dbraw/zinc/30/28/43/505302843.db2.gz MJFZOUIVHUZJIH-QFIPXVFZSA-N 1 3 357.542 3.279 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000558252907 505345060 /nfs/dbraw/zinc/34/50/60/505345060.db2.gz AUKZFTCWSZDSJC-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000558252907 505345063 /nfs/dbraw/zinc/34/50/63/505345063.db2.gz AUKZFTCWSZDSJC-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000558252907 505345067 /nfs/dbraw/zinc/34/50/67/505345067.db2.gz AUKZFTCWSZDSJC-BXXSPATCSA-N 1 3 350.506 3.090 20 0 FGADHO C[C@@H](CCc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000567085681 505359785 /nfs/dbraw/zinc/35/97/85/505359785.db2.gz DZSHPUXMGLKGNM-ATNRPFFGSA-N 1 3 355.570 3.498 20 0 FGADHO C[C@@H](CCc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000567085681 505359786 /nfs/dbraw/zinc/35/97/86/505359786.db2.gz DZSHPUXMGLKGNM-ATNRPFFGSA-N 1 3 355.570 3.498 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176109 505385651 /nfs/dbraw/zinc/38/56/51/505385651.db2.gz IJMWOUVKIHILFY-STEAMIEHSA-N 1 3 363.933 3.022 20 0 FGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccncc2OCCN(C)C)CC1 ZINC000561782966 505436847 /nfs/dbraw/zinc/43/68/47/505436847.db2.gz SGEKILNNTXZSER-WIYYLYMNSA-N 1 3 374.573 3.155 20 0 FGADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552245003 505439691 /nfs/dbraw/zinc/43/96/91/505439691.db2.gz QBDLODSKGPQEED-KJJMTIBFSA-N 1 3 360.542 3.054 20 0 FGADHO Cc1ccc(CNCC2([NH+]3CCCC3)CCOCC2)c(-c2ccnn2C)c1 ZINC000558778402 505489923 /nfs/dbraw/zinc/48/99/23/505489923.db2.gz FQVNLAWKBFTJLH-UHFFFAOYSA-N 1 3 368.525 3.130 20 0 FGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cccc(-n3cccn3)c2)cc1 ZINC000567589653 505508263 /nfs/dbraw/zinc/50/82/63/505508263.db2.gz WUXLBJFFCUUPOE-KNQAVFIVSA-N 1 3 364.468 3.494 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2cccc(-n3cccn3)c2)cc1 ZINC000567589653 505508266 /nfs/dbraw/zinc/50/82/66/505508266.db2.gz WUXLBJFFCUUPOE-KNQAVFIVSA-N 1 3 364.468 3.494 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680716 505534170 /nfs/dbraw/zinc/53/41/70/505534170.db2.gz CXQJUDOQZIUBOW-ICSRJNTNSA-N 1 3 356.510 3.290 20 0 FGADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000567819746 505565702 /nfs/dbraw/zinc/56/57/02/505565702.db2.gz WZIYPXDONNKDAN-INIZCTEOSA-N 1 3 365.949 3.256 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582904230 506481282 /nfs/dbraw/zinc/48/12/82/506481282.db2.gz HZALUNHCLVHFAD-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000612211067 506485013 /nfs/dbraw/zinc/48/50/13/506485013.db2.gz GWRQICVYRHPPMA-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO CCC(CC)(CNC(=O)N[C@H]1CCCN(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593415 506569491 /nfs/dbraw/zinc/56/94/91/506569491.db2.gz GYSMHZCPCJAWJU-HKUYNNGSSA-N 1 3 360.546 3.289 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1Cl ZINC000583258897 506681734 /nfs/dbraw/zinc/68/17/34/506681734.db2.gz VJBSOYYLTWUJED-LJQANCHMSA-N 1 3 374.912 3.465 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282327 506694734 /nfs/dbraw/zinc/69/47/34/506694734.db2.gz WRYMIYYUQYOJRH-HOJAQTOUSA-N 1 3 368.500 3.442 20 0 FGADHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282327 506694738 /nfs/dbraw/zinc/69/47/38/506694738.db2.gz WRYMIYYUQYOJRH-HOJAQTOUSA-N 1 3 368.500 3.442 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000604171468 506734508 /nfs/dbraw/zinc/73/45/08/506734508.db2.gz NUINIBVQJFKXDR-WOJBJXKFSA-N 1 3 374.573 3.331 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000604171468 506734514 /nfs/dbraw/zinc/73/45/14/506734514.db2.gz NUINIBVQJFKXDR-WOJBJXKFSA-N 1 3 374.573 3.331 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171436 506734812 /nfs/dbraw/zinc/73/48/12/506734812.db2.gz KWQFAVUUQZGZJW-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604171436 506734817 /nfs/dbraw/zinc/73/48/17/506734817.db2.gz KWQFAVUUQZGZJW-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604170466 506734849 /nfs/dbraw/zinc/73/48/49/506734849.db2.gz CDNMUMKRSNZYPA-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO C[NH+]1CCC(CCNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604190663 506743454 /nfs/dbraw/zinc/74/34/54/506743454.db2.gz HOQUZFGSLDGVFH-NRFANRHFSA-N 1 3 372.557 3.245 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604195897 506746980 /nfs/dbraw/zinc/74/69/80/506746980.db2.gz WYJMGMYGJJPOSM-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604195897 506746987 /nfs/dbraw/zinc/74/69/87/506746987.db2.gz WYJMGMYGJJPOSM-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(-c2ccccn2)c1 ZINC000583527061 506828078 /nfs/dbraw/zinc/82/80/78/506828078.db2.gz MBPKPZLKFYXMMM-UHFFFAOYSA-N 1 3 352.526 3.206 20 0 FGADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(-c2ccccn2)c1 ZINC000583527061 506828082 /nfs/dbraw/zinc/82/80/82/506828082.db2.gz MBPKPZLKFYXMMM-UHFFFAOYSA-N 1 3 352.526 3.206 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000604580121 506881517 /nfs/dbraw/zinc/88/15/17/506881517.db2.gz PUVSKFIXSBNGNF-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604656139 506903329 /nfs/dbraw/zinc/90/33/29/506903329.db2.gz CYIFTPMVNDXWJB-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604656139 506903332 /nfs/dbraw/zinc/90/33/32/506903332.db2.gz CYIFTPMVNDXWJB-FPOVZHCZSA-N 1 3 372.557 3.197 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688609 506918321 /nfs/dbraw/zinc/91/83/21/506918321.db2.gz RSMZZQOQRDJDNB-BFHYXJOUSA-N 1 3 361.313 3.196 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000604728132 506920322 /nfs/dbraw/zinc/92/03/22/506920322.db2.gz LAPLHLXIDSGORV-HXUWFJFHSA-N 1 3 359.558 3.381 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)Cc1ccccc1 ZINC000604784941 506943163 /nfs/dbraw/zinc/94/31/63/506943163.db2.gz HTRIHBKJLMCYFF-PKOBYXMFSA-N 1 3 362.562 3.173 20 0 FGADHO COC[C@](C)(O)CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000584087379 507145153 /nfs/dbraw/zinc/14/51/53/507145153.db2.gz XAHKNLMGKCEXKT-NHCUHLMSSA-N 1 3 366.521 3.366 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000600887429 507161902 /nfs/dbraw/zinc/16/19/02/507161902.db2.gz KIOWWDJOXJGVEP-QUCCMNQESA-N 1 3 374.573 3.489 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000600887429 507161906 /nfs/dbraw/zinc/16/19/06/507161906.db2.gz KIOWWDJOXJGVEP-QUCCMNQESA-N 1 3 374.573 3.489 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000600980883 507214208 /nfs/dbraw/zinc/21/42/08/507214208.db2.gz MPDDPVWBAZHXJP-SIKLNZKXSA-N 1 3 371.569 3.319 20 0 FGADHO COc1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000584258821 507240261 /nfs/dbraw/zinc/24/02/61/507240261.db2.gz JBLQDULMYYRZOL-UHFFFAOYSA-N 1 3 362.514 3.497 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)cc1 ZINC000584353780 507299014 /nfs/dbraw/zinc/29/90/14/507299014.db2.gz PBINMIADUJILEY-KRWDZBQOSA-N 1 3 366.509 3.480 20 0 FGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(I)cc32)C1 ZINC000595015364 507356057 /nfs/dbraw/zinc/35/60/57/507356057.db2.gz CQTTUJQKKRONGT-LRDDRELGSA-N 1 3 370.278 3.210 20 0 FGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(I)cc32)C1 ZINC000595015364 507356059 /nfs/dbraw/zinc/35/60/59/507356059.db2.gz CQTTUJQKKRONGT-LRDDRELGSA-N 1 3 370.278 3.210 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000606626105 507457364 /nfs/dbraw/zinc/45/73/64/507457364.db2.gz VSNJVVBURIBUBF-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000584799510 507510987 /nfs/dbraw/zinc/51/09/87/507510987.db2.gz LKDNMDYDOUQCMW-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000607232192 507663021 /nfs/dbraw/zinc/66/30/21/507663021.db2.gz FMKNFNXTAFXSIM-UHFFFAOYSA-N 1 3 374.573 3.023 20 0 FGADHO CCC[NH+]1CCN(c2ccccc2CNc2cccc(N(C)C)n2)CC1 ZINC000541014253 516829867 /nfs/dbraw/zinc/82/98/67/516829867.db2.gz GMYYRKXNPGXCGI-UHFFFAOYSA-N 1 3 353.514 3.292 20 0 FGADHO CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000824954973 608501691 /nfs/dbraw/zinc/50/16/91/608501691.db2.gz NGPBZISMOMBUFI-HXUWFJFHSA-N 1 3 368.529 3.346 20 0 FGADHO CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000824954973 608501692 /nfs/dbraw/zinc/50/16/92/608501692.db2.gz NGPBZISMOMBUFI-HXUWFJFHSA-N 1 3 368.529 3.346 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219192 /nfs/dbraw/zinc/21/91/92/700219192.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 1 3 353.551 3.440 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219198 /nfs/dbraw/zinc/21/91/98/700219198.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 1 3 353.551 3.440 20 0 FGADHO C[NH+](C)CCCCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000137478457 704870632 /nfs/dbraw/zinc/87/06/32/704870632.db2.gz QUUYKOGYGUVYTP-UHFFFAOYSA-N 1 3 352.567 3.158 20 0 FGADHO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000189017596 712783947 /nfs/dbraw/zinc/78/39/47/712783947.db2.gz LKXWMJNAPSVQAN-QGZVFWFLSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@@H](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000195222961 713549923 /nfs/dbraw/zinc/54/99/23/713549923.db2.gz MUSXACNUDQTWAL-PXNSSMCTSA-N 1 3 353.551 3.488 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271556263 713753209 /nfs/dbraw/zinc/75/32/09/713753209.db2.gz VVVSKRXCSVMADV-FGTMMUONSA-N 1 3 350.503 3.330 20 0 FGADHO Cc1nnc([C@@H](C)NCCCCC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000273624936 713754227 /nfs/dbraw/zinc/75/42/27/713754227.db2.gz REVMAOZXRUCBAD-GHMZBOCLSA-N 1 3 354.549 3.178 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462084 713982150 /nfs/dbraw/zinc/98/21/50/713982150.db2.gz BAXBERLKXYAXQN-KZNAEPCWSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000522411797 714187089 /nfs/dbraw/zinc/18/70/89/714187089.db2.gz IWCOJRWEWFKMQX-KRWDZBQOSA-N 1 3 366.575 3.161 20 0 FGADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000522411797 714187090 /nfs/dbraw/zinc/18/70/90/714187090.db2.gz IWCOJRWEWFKMQX-KRWDZBQOSA-N 1 3 366.575 3.161 20 0 FGADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cncc(Cl)c1 ZINC000621262366 714975223 /nfs/dbraw/zinc/97/52/23/714975223.db2.gz ZJEXPNCOFILUER-UHFFFAOYSA-N 1 3 364.965 3.363 20 0 FGADHO CC1CCN([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000621641143 715013683 /nfs/dbraw/zinc/01/36/83/715013683.db2.gz BESPDYUHRMHKBH-MSOLQXFVSA-N 1 3 363.571 3.417 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384103 715323306 /nfs/dbraw/zinc/32/33/06/715323306.db2.gz OUWHEOIWXURNBC-OALUTQOASA-N 1 3 365.949 3.176 20 0 FGADHO C[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392699 715325389 /nfs/dbraw/zinc/32/53/89/715325389.db2.gz NAWCVZFWFIMTIL-OAHLLOKOSA-N 1 3 368.319 3.240 20 0 FGADHO C[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392699 715325396 /nfs/dbraw/zinc/32/53/96/715325396.db2.gz NAWCVZFWFIMTIL-OAHLLOKOSA-N 1 3 368.319 3.240 20 0 FGADHO CN1CC[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1(C)C ZINC000623405551 715328932 /nfs/dbraw/zinc/32/89/32/715328932.db2.gz NLNUTTUZOKUQRP-MOPGFXCFSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121306 715477551 /nfs/dbraw/zinc/47/75/51/715477551.db2.gz SVZKIDAQZAXBIK-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121306 715477553 /nfs/dbraw/zinc/47/75/53/715477553.db2.gz SVZKIDAQZAXBIK-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121306 715477555 /nfs/dbraw/zinc/47/75/55/715477555.db2.gz SVZKIDAQZAXBIK-SJLPKXTDSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000629416700 716284629 /nfs/dbraw/zinc/28/46/29/716284629.db2.gz UOHFECJFEPPINY-YOEHRIQHSA-N 1 3 366.347 3.144 20 0 FGADHO C[C@H]1CC[C@H](NC2CCN(Cc3ccccc3Br)CC2)C[NH2+]1 ZINC000629416700 716284632 /nfs/dbraw/zinc/28/46/32/716284632.db2.gz UOHFECJFEPPINY-YOEHRIQHSA-N 1 3 366.347 3.144 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cc(F)c(Br)cc1F ZINC000629515236 716302009 /nfs/dbraw/zinc/30/20/09/716302009.db2.gz NHESNVSQKXLQGE-NXEZZACHSA-N 1 3 351.235 3.132 20 0 FGADHO Clc1ccc(N2CCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000629523108 716302987 /nfs/dbraw/zinc/30/29/87/716302987.db2.gz KFUXUBZFNBYFAX-UAFMIMERSA-N 1 3 363.933 3.056 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3csc(C)c3C)CC2)CC1 ZINC000633971996 717017103 /nfs/dbraw/zinc/01/71/03/717017103.db2.gz BRRPPUZIWPIKGE-UHFFFAOYSA-N 1 3 363.571 3.177 20 0 FGADHO [NH3+]C[C@@H]1CCN(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2ccccc21 ZINC000639063073 717510676 /nfs/dbraw/zinc/51/06/76/717510676.db2.gz BFYWLMMWAFFCRS-GZBFAFLISA-N 1 3 356.388 3.213 20 0 FGADHO CCC[N@H+](C)[C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126608 724487957 /nfs/dbraw/zinc/48/79/57/724487957.db2.gz ARAORJLBUSEYGY-KRWDZBQOSA-N 1 3 351.922 3.323 20 0 FGADHO CCC[N@@H+](C)[C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126608 724487959 /nfs/dbraw/zinc/48/79/59/724487959.db2.gz ARAORJLBUSEYGY-KRWDZBQOSA-N 1 3 351.922 3.323 20 0 FGADHO C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245576 /nfs/dbraw/zinc/24/55/76/718245576.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 1 3 352.563 3.406 20 0 FGADHO C[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCCN(CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245579 /nfs/dbraw/zinc/24/55/79/718245579.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 1 3 352.563 3.406 20 0 FGADHO Cc1nn2c(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544028 718366796 /nfs/dbraw/zinc/36/67/96/718366796.db2.gz VPGSLNZGUCOHGR-JKSUJKDBSA-N 1 3 361.559 3.434 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707719 718717587 /nfs/dbraw/zinc/71/75/87/718717587.db2.gz LTKMHAQGUFNNOF-LZLYRXPVSA-N 1 3 367.331 3.476 20 0 FGADHO CCOc1c(Cl)cccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707928 718717735 /nfs/dbraw/zinc/71/77/35/718717735.db2.gz QDICMGHYXICPAE-QILLFSRXSA-N 1 3 352.906 3.457 20 0 FGADHO Clc1nnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2[nH]cnc21 ZINC001164628844 719085596 /nfs/dbraw/zinc/08/55/96/719085596.db2.gz OZGWKNYTTLVPFQ-LSDHHAIUSA-N 1 3 368.872 3.107 20 0 FGADHO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2[nH]cnc21 ZINC001164628844 719085600 /nfs/dbraw/zinc/08/56/00/719085600.db2.gz OZGWKNYTTLVPFQ-LSDHHAIUSA-N 1 3 368.872 3.107 20 0 FGADHO CC[C@@H]1C[N@H+](CCCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903693 724610082 /nfs/dbraw/zinc/61/00/82/724610082.db2.gz HEWCMBNPTUCJKV-QZTJIDSGSA-N 1 3 353.551 3.488 20 0 FGADHO CC[C@@H]1C[N@@H+](CCCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903693 724610083 /nfs/dbraw/zinc/61/00/83/724610083.db2.gz HEWCMBNPTUCJKV-QZTJIDSGSA-N 1 3 353.551 3.488 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000658113950 719759307 /nfs/dbraw/zinc/75/93/07/719759307.db2.gz IQCRATHKAYUNBX-LXDWIVHCSA-N 1 3 352.563 3.185 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137546 719761921 /nfs/dbraw/zinc/76/19/21/719761921.db2.gz HJKQZSIHDOJUKT-KSSFIOAISA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137546 719761926 /nfs/dbraw/zinc/76/19/26/719761926.db2.gz HJKQZSIHDOJUKT-KSSFIOAISA-N 1 3 359.539 3.431 20 0 FGADHO FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658166591 719765209 /nfs/dbraw/zinc/76/52/09/719765209.db2.gz BOGQNOIVJIIKDL-OKYOBFRVSA-N 1 3 350.453 3.301 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000662313063 720414118 /nfs/dbraw/zinc/41/41/18/720414118.db2.gz HQEYWLCNBXHTAV-CZUORRHYSA-N 1 3 368.319 3.227 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662444530 720429315 /nfs/dbraw/zinc/42/93/15/720429315.db2.gz JXVIKSDVJITVME-CQSZACIVSA-N 1 3 357.523 3.253 20 0 FGADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368285 720506434 /nfs/dbraw/zinc/50/64/34/720506434.db2.gz CSEXLWSAMMVCAO-SJORKVTESA-N 1 3 356.432 3.192 20 0 FGADHO FC(F)Oc1c(Br)cccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953756 721004763 /nfs/dbraw/zinc/00/47/63/721004763.db2.gz GZTXBRMXXFWIJA-LBPRGKRZSA-N 1 3 361.230 3.282 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908308 722412374 /nfs/dbraw/zinc/41/23/74/722412374.db2.gz QJNMMPWADTVEHI-OWSLCNJRSA-N 1 3 351.535 3.094 20 0 FGADHO CCN(CC)[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000727074637 722440904 /nfs/dbraw/zinc/44/09/04/722440904.db2.gz MLUUKODYVADZSK-INIZCTEOSA-N 1 3 370.632 3.183 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@@H](C)O1 ZINC000753367949 722896020 /nfs/dbraw/zinc/89/60/20/722896020.db2.gz LAFKZIQXSUUDCK-HZPDHXFCSA-N 1 3 360.527 3.184 20 0 FGADHO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CN1CCCC1 ZINC000775205112 723970754 /nfs/dbraw/zinc/97/07/54/723970754.db2.gz SSXFHRCOBJQFLL-ROUUACIJSA-N 1 3 367.331 3.337 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045085 /nfs/dbraw/zinc/04/50/85/727045085.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 1 3 356.432 3.027 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045087 /nfs/dbraw/zinc/04/50/87/727045087.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 1 3 356.432 3.027 20 0 FGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817949547 727289294 /nfs/dbraw/zinc/28/92/94/727289294.db2.gz RDJJJJYCELIKEQ-CYBMUJFWSA-N 1 3 368.449 3.035 20 0 FGADHO COC(OC)c1ccc(F)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000818214788 727301650 /nfs/dbraw/zinc/30/16/50/727301650.db2.gz LTXXAEPVMLWAIZ-UHFFFAOYSA-N 1 3 356.507 3.034 20 0 FGADHO C[NH+](C)CC[C@H](NC[C@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082299 727345515 /nfs/dbraw/zinc/34/55/15/727345515.db2.gz PGXMZFHBUJDQTM-HOTGVXAUSA-N 1 3 357.336 3.439 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085724 727345992 /nfs/dbraw/zinc/34/59/92/727345992.db2.gz WDHHSVWCEJYLAN-UGSOOPFHSA-N 1 3 373.324 3.117 20 0 FGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383045 729334928 /nfs/dbraw/zinc/33/49/28/729334928.db2.gz JFBXWUNDEMNZHH-KZNAEPCWSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383045 729334930 /nfs/dbraw/zinc/33/49/30/729334930.db2.gz JFBXWUNDEMNZHH-KZNAEPCWSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383045 729334931 /nfs/dbraw/zinc/33/49/31/729334931.db2.gz JFBXWUNDEMNZHH-KZNAEPCWSA-N 1 3 353.551 3.484 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827528809 729431346 /nfs/dbraw/zinc/43/13/46/729431346.db2.gz ALCOGCOWHNEUNA-VVFCZOMOSA-N 1 3 366.937 3.060 20 0 FGADHO CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000848989004 731223779 /nfs/dbraw/zinc/22/37/79/731223779.db2.gz RUSYOKNFTREJEP-UHFFFAOYSA-N 1 3 356.436 3.353 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055009 731224584 /nfs/dbraw/zinc/22/45/84/731224584.db2.gz OTLVJPUXKUKPOW-INIZCTEOSA-N 1 3 352.910 3.097 20 0 FGADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057449 731225054 /nfs/dbraw/zinc/22/50/54/731225054.db2.gz KYWHWZGGWOVTEQ-QGZVFWFLSA-N 1 3 357.527 3.217 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065905 731225363 /nfs/dbraw/zinc/22/53/63/731225363.db2.gz HTHDRFBCXOXEPP-INIZCTEOSA-N 1 3 352.910 3.016 20 0 FGADHO C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000849091046 731228031 /nfs/dbraw/zinc/22/80/31/731228031.db2.gz DTIFGYUBYMSLCT-KGLIPLIRSA-N 1 3 356.436 3.440 20 0 FGADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641077 733243952 /nfs/dbraw/zinc/24/39/52/733243952.db2.gz SMCOCTUVRQTWBG-UONOGXRCSA-N 1 3 367.456 3.154 20 0 FGADHO C[N@H+]1CCCC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641077 733243955 /nfs/dbraw/zinc/24/39/55/733243955.db2.gz SMCOCTUVRQTWBG-UONOGXRCSA-N 1 3 367.456 3.154 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641077 733243956 /nfs/dbraw/zinc/24/39/56/733243956.db2.gz SMCOCTUVRQTWBG-UONOGXRCSA-N 1 3 367.456 3.154 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866353218 733339378 /nfs/dbraw/zinc/33/93/78/733339378.db2.gz PXTMARXBYNJJMV-ZDUSSCGKSA-N 1 3 350.894 3.158 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1sccc1Br ZINC000873289925 735746517 /nfs/dbraw/zinc/74/65/17/735746517.db2.gz MIJXJJQXOYUIOZ-RYUDHWBXSA-N 1 3 359.333 3.320 20 0 FGADHO CC(C)(O)C[NH+]1CCC(NCc2cn(C(F)F)c3ccccc23)CC1 ZINC000877656716 736700579 /nfs/dbraw/zinc/70/05/79/736700579.db2.gz AAIGWHWMRCOFDP-UHFFFAOYSA-N 1 3 351.441 3.361 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccsc1 ZINC000891877755 739946960 /nfs/dbraw/zinc/94/69/60/739946960.db2.gz NQWGIWFVEWHGBG-KRWDZBQOSA-N 1 3 364.559 3.011 20 0 FGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892613144 740023264 /nfs/dbraw/zinc/02/32/64/740023264.db2.gz QMOMMFNGXSTGQG-RTBURBONSA-N 1 3 350.478 3.252 20 0 FGADHO C[C@@]1(Br)C[C@H]1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895346552 742400640 /nfs/dbraw/zinc/40/06/40/742400640.db2.gz INVFNZSOFHJYQW-DLBZAZTESA-N 1 3 352.320 3.057 20 0 FGADHO CCOP(=O)(CCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1)OCC ZINC000895555697 742426179 /nfs/dbraw/zinc/42/61/79/742426179.db2.gz AQHFYDOZPICALR-MRXNPFEDSA-N 1 3 355.419 3.248 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091873 743803743 /nfs/dbraw/zinc/80/37/43/743803743.db2.gz BRQHJJWIYSYPHK-VQTJNVASSA-N 1 3 364.917 3.090 20 0 FGADHO C[NH+](C)CC[C@H](NC1CCN(CCC(F)(F)F)CC1)c1cccnc1 ZINC000903380139 743843083 /nfs/dbraw/zinc/84/30/83/743843083.db2.gz KRAIUHJNNLIDAC-KRWDZBQOSA-N 1 3 358.452 3.081 20 0 FGADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723898 743879335 /nfs/dbraw/zinc/87/93/35/743879335.db2.gz JHJPMVUQYBEGMR-AZUAARDMSA-N 1 3 362.901 3.003 20 0 FGADHO FC(F)(F)c1ccnc([C@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461521 743956783 /nfs/dbraw/zinc/95/67/83/743956783.db2.gz CLPWGTBJRUUGBU-NSHDSACASA-N 1 3 368.428 3.192 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130992 743995035 /nfs/dbraw/zinc/99/50/35/743995035.db2.gz BJXVRTRHIACXNV-ZIFCJYIRSA-N 1 3 366.571 3.167 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130992 743995036 /nfs/dbraw/zinc/99/50/36/743995036.db2.gz BJXVRTRHIACXNV-ZIFCJYIRSA-N 1 3 366.571 3.167 20 0 FGADHO CCC[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncccc1Cl ZINC000925038933 759435023 /nfs/dbraw/zinc/43/50/23/759435023.db2.gz HTCDVVMONRWYQI-YJBOKZPZSA-N 1 3 350.938 3.334 20 0 FGADHO CC(C)(C)OC(=O)NCC1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000925220890 759463802 /nfs/dbraw/zinc/46/38/02/759463802.db2.gz KEIXTVFPKNJXFG-UHFFFAOYSA-N 1 3 351.535 3.286 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761488 764560899 /nfs/dbraw/zinc/56/08/99/764560899.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761488 764560902 /nfs/dbraw/zinc/56/09/02/764560902.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC001034941277 766250674 /nfs/dbraw/zinc/25/06/74/766250674.db2.gz OWDNFUFRCJCONZ-ZIFCJYIRSA-N 1 3 363.933 3.151 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC001034941277 766250682 /nfs/dbraw/zinc/25/06/82/766250682.db2.gz OWDNFUFRCJCONZ-ZIFCJYIRSA-N 1 3 363.933 3.151 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894284 210196227 /nfs/dbraw/zinc/19/62/27/210196227.db2.gz FWDOPMPJIZPLKO-NQQQLTFYSA-N 1 3 370.537 3.215 20 0 FGADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCN([C@@H]4CCCC[C@H]4C)CC3)[C@H]2C1 ZINC000573599764 505575334 /nfs/dbraw/zinc/57/53/34/505575334.db2.gz JIIGZWFRFDPUSV-DOYHNPMNSA-N 1 3 361.574 3.266 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000567973422 505587253 /nfs/dbraw/zinc/58/72/53/505587253.db2.gz CGNUVCYZWKKTKR-LJQANCHMSA-N 1 3 352.482 3.042 20 0 FGADHO Cc1nsc(C)c1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000579669325 505598536 /nfs/dbraw/zinc/59/85/36/505598536.db2.gz ZAWUKSYNSVSPTC-HUUCEWRRSA-N 1 3 351.560 3.471 20 0 FGADHO CC(C)OC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000570870889 505599945 /nfs/dbraw/zinc/59/99/45/505599945.db2.gz PXLXDPQQLRUHDD-PZJWPPBQSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870889 505599946 /nfs/dbraw/zinc/59/99/46/505599946.db2.gz PXLXDPQQLRUHDD-PZJWPPBQSA-N 1 3 360.542 3.318 20 0 FGADHO CC(C)OC[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870889 505599948 /nfs/dbraw/zinc/59/99/48/505599948.db2.gz PXLXDPQQLRUHDD-PZJWPPBQSA-N 1 3 360.542 3.318 20 0 FGADHO Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C4CCN(C)CC4)C3)cc2)no1 ZINC000568035835 505600579 /nfs/dbraw/zinc/60/05/79/505600579.db2.gz NNPJWZIHFLWHDM-IBGZPJMESA-N 1 3 370.497 3.121 20 0 FGADHO Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C4CCN(C)CC4)C3)cc2)no1 ZINC000568035835 505600580 /nfs/dbraw/zinc/60/05/80/505600580.db2.gz NNPJWZIHFLWHDM-IBGZPJMESA-N 1 3 370.497 3.121 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045790 505602943 /nfs/dbraw/zinc/60/29/43/505602943.db2.gz JEQHVVPYDVNDLI-MJGOQNOKSA-N 1 3 363.571 3.211 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045790 505602948 /nfs/dbraw/zinc/60/29/48/505602948.db2.gz JEQHVVPYDVNDLI-MJGOQNOKSA-N 1 3 363.571 3.211 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)CC(C)(C)C2)CC1 ZINC000579877472 505637080 /nfs/dbraw/zinc/63/70/80/505637080.db2.gz LYFZSMSLCIZFDH-GOSISDBHSA-N 1 3 371.569 3.444 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879372 505637609 /nfs/dbraw/zinc/63/76/09/505637609.db2.gz BVSFUTVWGULGFC-PXNSSMCTSA-N 1 3 361.505 3.199 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879372 505637613 /nfs/dbraw/zinc/63/76/13/505637613.db2.gz BVSFUTVWGULGFC-PXNSSMCTSA-N 1 3 361.505 3.199 20 0 FGADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571047275 505641278 /nfs/dbraw/zinc/64/12/78/505641278.db2.gz PGNYRDQITYSYCO-RBSFLKMASA-N 1 3 369.431 3.354 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200870 505642232 /nfs/dbraw/zinc/64/22/32/505642232.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200870 505642235 /nfs/dbraw/zinc/64/22/35/505642235.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000571122536 505657968 /nfs/dbraw/zinc/65/79/68/505657968.db2.gz GXNKHZYFMXPVFH-CALCHBBNSA-N 1 3 372.513 3.381 20 0 FGADHO CC(C)(C)N1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000057609857 493776508 /nfs/dbraw/zinc/77/65/08/493776508.db2.gz OMJHCLSINBYRSE-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000081047706 493819661 /nfs/dbraw/zinc/81/96/61/493819661.db2.gz YIGBPVIMPNDSAU-SFHVURJKSA-N 1 3 357.542 3.449 20 0 FGADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050802329 493935626 /nfs/dbraw/zinc/93/56/26/493935626.db2.gz IUVFCCYMRUEKLO-OAQYLSRUSA-N 1 3 357.542 3.245 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000063917491 494097882 /nfs/dbraw/zinc/09/78/82/494097882.db2.gz RXASDDXGNHGZRL-HXUWFJFHSA-N 1 3 369.509 3.491 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000054763874 494268002 /nfs/dbraw/zinc/26/80/02/494268002.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 1 3 360.546 3.072 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000054763874 494268005 /nfs/dbraw/zinc/26/80/05/494268005.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 1 3 360.546 3.072 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000089269117 494282477 /nfs/dbraw/zinc/28/24/77/494282477.db2.gz HRKLJEXGKYRMRO-HNNXBMFYSA-N 1 3 355.473 3.307 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000089269117 494282479 /nfs/dbraw/zinc/28/24/79/494282479.db2.gz HRKLJEXGKYRMRO-HNNXBMFYSA-N 1 3 355.473 3.307 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000079168453 494412369 /nfs/dbraw/zinc/41/23/69/494412369.db2.gz OEPXTNFGICZIII-LJQANCHMSA-N 1 3 372.557 3.133 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079197956 494418182 /nfs/dbraw/zinc/41/81/82/494418182.db2.gz RGPCQPFKYSBLCP-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000073897534 494444605 /nfs/dbraw/zinc/44/46/05/494444605.db2.gz UXZQGMSPXOLYNP-WOJBJXKFSA-N 1 3 360.546 3.114 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000073897534 494444607 /nfs/dbraw/zinc/44/46/07/494444607.db2.gz UXZQGMSPXOLYNP-WOJBJXKFSA-N 1 3 360.546 3.114 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079394517 494446345 /nfs/dbraw/zinc/44/63/45/494446345.db2.gz GRZKXDYFAJXJTF-KDURUIRLSA-N 1 3 374.573 3.306 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000079394517 494446347 /nfs/dbraw/zinc/44/63/47/494446347.db2.gz GRZKXDYFAJXJTF-KDURUIRLSA-N 1 3 374.573 3.306 20 0 FGADHO Cc1csc(N2CCC([NH2+]C[C@H]3CCCN(CC(C)C)C3)CC2)n1 ZINC000090585777 494484644 /nfs/dbraw/zinc/48/46/44/494484644.db2.gz HGCCSZQZDQFGHP-QGZVFWFLSA-N 1 3 350.576 3.378 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000074210886 494498553 /nfs/dbraw/zinc/49/85/53/494498553.db2.gz HYWBXVOXBPVEDQ-IEBWSBKVSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000046313281 494514818 /nfs/dbraw/zinc/51/48/18/494514818.db2.gz GMHGKAZFGYERPQ-HXUWFJFHSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000056503509 494517320 /nfs/dbraw/zinc/51/73/20/494517320.db2.gz FXWKIGPZYNSPGJ-RTBURBONSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000056503509 494517325 /nfs/dbraw/zinc/51/73/25/494517325.db2.gz FXWKIGPZYNSPGJ-RTBURBONSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCN(c2ccccc2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000074400378 494530308 /nfs/dbraw/zinc/53/03/08/494530308.db2.gz MDHVVRHEQLIFSI-GOSISDBHSA-N 1 3 358.530 3.032 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074446646 494538253 /nfs/dbraw/zinc/53/82/53/494538253.db2.gz FMIOJPVDQQLDDP-NRFANRHFSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945225 494554262 /nfs/dbraw/zinc/55/42/62/494554262.db2.gz SNBDIYPDDBKEGH-NQIIRXRSSA-N 1 3 357.542 3.276 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945210 494554349 /nfs/dbraw/zinc/55/43/49/494554349.db2.gz SNBDIYPDDBKEGH-GHTZIAJQSA-N 1 3 357.542 3.276 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091369045 494587997 /nfs/dbraw/zinc/58/79/97/494587997.db2.gz MOWYDJDRMJAVGU-HIFRSBDPSA-N 1 3 352.910 3.234 20 0 FGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121120173 494605745 /nfs/dbraw/zinc/60/57/45/494605745.db2.gz UFMJCKLRKRSZAM-VQIMIIECSA-N 1 3 365.949 3.417 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107834883 494608453 /nfs/dbraw/zinc/60/84/53/494608453.db2.gz DEEHVTOWZQGIGA-RTBURBONSA-N 1 3 366.594 3.308 20 0 FGADHO COc1c(C)cnc(CN2CCC([N@H+](C)CC[C@H]3CCCN3C)CC2)c1C ZINC000091708152 494654665 /nfs/dbraw/zinc/65/46/65/494654665.db2.gz LUPWZZNEWMQFTP-LJQANCHMSA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC([N@@H+](C)CC[C@H]3CCCN3C)CC2)c1C ZINC000091708152 494654671 /nfs/dbraw/zinc/65/46/71/494654671.db2.gz LUPWZZNEWMQFTP-LJQANCHMSA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC(N(C)CC[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000091708152 494654679 /nfs/dbraw/zinc/65/46/79/494654679.db2.gz LUPWZZNEWMQFTP-LJQANCHMSA-N 1 3 374.573 3.088 20 0 FGADHO COc1c(C)cnc(CN2CCC(N(C)CC[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000091708152 494654682 /nfs/dbraw/zinc/65/46/82/494654682.db2.gz LUPWZZNEWMQFTP-LJQANCHMSA-N 1 3 374.573 3.088 20 0 FGADHO CN1CCC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428627 494705844 /nfs/dbraw/zinc/70/58/44/494705844.db2.gz UQEDCDQLXVAEDM-CYBMUJFWSA-N 1 3 351.288 3.156 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCCN(C)C3)c2)cc1 ZINC000108429088 494706260 /nfs/dbraw/zinc/70/62/60/494706260.db2.gz XPKVFIHBLYCGFR-SFHVURJKSA-N 1 3 367.493 3.379 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428306 494706341 /nfs/dbraw/zinc/70/63/41/494706341.db2.gz GOUBILWGEOTUFB-HNNXBMFYSA-N 1 3 352.404 3.323 20 0 FGADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428306 494706349 /nfs/dbraw/zinc/70/63/49/494706349.db2.gz GOUBILWGEOTUFB-HNNXBMFYSA-N 1 3 352.404 3.323 20 0 FGADHO Brc1cc2c(c(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492674 505739118 /nfs/dbraw/zinc/73/91/18/505739118.db2.gz NFLOAZOTOSCNRN-GJZGRUSLSA-N 1 3 365.315 3.206 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@](=O)c1ccccc1 ZINC000092821165 494764223 /nfs/dbraw/zinc/76/42/23/494764223.db2.gz VEZQAWFZRNHYLF-AREMUKBSSA-N 1 3 371.550 3.428 20 0 FGADHO CNC(=O)c1ccc(C[N@H+](C)CCC2CCN(c3ccncc3)CC2)cc1 ZINC000092821669 494764446 /nfs/dbraw/zinc/76/44/46/494764446.db2.gz XPPIZIKKPXLGER-UHFFFAOYSA-N 1 3 366.509 3.180 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)cc1 ZINC000092821669 494764452 /nfs/dbraw/zinc/76/44/52/494764452.db2.gz XPPIZIKKPXLGER-UHFFFAOYSA-N 1 3 366.509 3.180 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116520323 494805855 /nfs/dbraw/zinc/80/58/55/494805855.db2.gz SOBCMTHQLDWXBN-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000121587871 494811982 /nfs/dbraw/zinc/81/19/82/494811982.db2.gz HFUAQKMJDVAWDC-UHFFFAOYSA-N 1 3 369.553 3.159 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000132073964 494813639 /nfs/dbraw/zinc/81/36/39/494813639.db2.gz HKLOLYBOOKSHEV-GHTZIAJQSA-N 1 3 372.557 3.213 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126733296 494828333 /nfs/dbraw/zinc/82/83/33/494828333.db2.gz UYDXSVUIAFBCHF-UNMCSNQZSA-N 1 3 367.537 3.371 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126733296 494828336 /nfs/dbraw/zinc/82/83/36/494828336.db2.gz UYDXSVUIAFBCHF-UNMCSNQZSA-N 1 3 367.537 3.371 20 0 FGADHO CNC(=O)c1ccc(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000121798186 494862766 /nfs/dbraw/zinc/86/27/66/494862766.db2.gz AECQGBBKXTZSMB-QFIPXVFZSA-N 1 3 351.494 3.191 20 0 FGADHO CNC(=O)c1ccc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000121798186 494862772 /nfs/dbraw/zinc/86/27/72/494862772.db2.gz AECQGBBKXTZSMB-QFIPXVFZSA-N 1 3 351.494 3.191 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000109482054 494881189 /nfs/dbraw/zinc/88/11/89/494881189.db2.gz LVTKGCNEBPZFJV-ROUUACIJSA-N 1 3 366.594 3.259 20 0 FGADHO CCCCN(CCCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127470674 494948850 /nfs/dbraw/zinc/94/88/50/494948850.db2.gz FQRBMFKOUPWEPD-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514006 505751833 /nfs/dbraw/zinc/75/18/33/505751833.db2.gz MHTPPQAZZACBTH-SNJCGAMXSA-N 1 3 368.521 3.463 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514006 505751836 /nfs/dbraw/zinc/75/18/36/505751836.db2.gz MHTPPQAZZACBTH-SNJCGAMXSA-N 1 3 368.521 3.463 20 0 FGADHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122554500 494993166 /nfs/dbraw/zinc/99/31/66/494993166.db2.gz STAVCOKTCARZKC-NRFANRHFSA-N 1 3 357.542 3.005 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000118546084 495008616 /nfs/dbraw/zinc/00/86/16/495008616.db2.gz MOWOIHYSBCNKSP-LJQANCHMSA-N 1 3 374.529 3.109 20 0 FGADHO NC(=O)C1CC[NH+](Cc2ccc(CN[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000571531322 505756110 /nfs/dbraw/zinc/75/61/10/505756110.db2.gz QZGKZFFLBZWNJD-JOCHJYFZSA-N 1 3 363.505 3.161 20 0 FGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128411868 495093132 /nfs/dbraw/zinc/09/31/32/495093132.db2.gz JKZSOPLZLMPPKQ-SJORKVTESA-N 1 3 360.571 3.406 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000123192423 495095055 /nfs/dbraw/zinc/09/50/55/495095055.db2.gz XZFKSRFYLYUPSW-KRWDZBQOSA-N 1 3 354.922 3.134 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278573 495129049 /nfs/dbraw/zinc/12/90/49/495129049.db2.gz PMDKQCYMRIWJDD-HXUWFJFHSA-N 1 3 357.542 3.101 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604942 505763142 /nfs/dbraw/zinc/76/31/42/505763142.db2.gz KQWRUEBZQGVZKS-PMACEKPBSA-N 1 3 354.498 3.013 20 0 FGADHO CC(C)CC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119545332 495187554 /nfs/dbraw/zinc/18/75/54/495187554.db2.gz STFDVULVNVADDT-HXUWFJFHSA-N 1 3 364.578 3.155 20 0 FGADHO C[NH+]1CCC(CCNC(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000103300801 495214942 /nfs/dbraw/zinc/21/49/42/495214942.db2.gz MSROBMXHVVEHLZ-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967687 495279220 /nfs/dbraw/zinc/27/92/20/495279220.db2.gz OEMXTDXDARIEKW-CTNGQTDRSA-N 1 3 357.542 3.230 20 0 FGADHO CC1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967687 495279222 /nfs/dbraw/zinc/27/92/22/495279222.db2.gz OEMXTDXDARIEKW-CTNGQTDRSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c2)CC1 ZINC000568760179 505772462 /nfs/dbraw/zinc/77/24/62/505772462.db2.gz NXXCGPHUMSUKPP-SFHVURJKSA-N 1 3 372.557 3.181 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113612716 495321005 /nfs/dbraw/zinc/32/10/05/495321005.db2.gz FARQEZXSECGGBN-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113612716 495321008 /nfs/dbraw/zinc/32/10/08/495321008.db2.gz FARQEZXSECGGBN-SFHVURJKSA-N 1 3 360.546 3.023 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](N(C)C)C3)cc2)CC1 ZINC000105112859 495337770 /nfs/dbraw/zinc/33/77/70/495337770.db2.gz AXNZDCOKEFBHCI-NRFANRHFSA-N 1 3 372.557 3.154 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124955406 495370032 /nfs/dbraw/zinc/37/00/32/495370032.db2.gz HBDQEYFGMBNTIK-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000125334252 495428056 /nfs/dbraw/zinc/42/80/56/495428056.db2.gz GMXHKNTZKKVFQB-IRLDBZIGSA-N 1 3 359.558 3.302 20 0 FGADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCCC1 ZINC000125565823 495463526 /nfs/dbraw/zinc/46/35/26/495463526.db2.gz CAFINOLSIBHILU-HUUCEWRRSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125565823 495463527 /nfs/dbraw/zinc/46/35/27/495463527.db2.gz CAFINOLSIBHILU-HUUCEWRRSA-N 1 3 352.910 3.164 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656832 505784404 /nfs/dbraw/zinc/78/44/04/505784404.db2.gz KLSDZLNQRFASNN-UWJYYQICSA-N 1 3 368.525 3.259 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000571656832 505784405 /nfs/dbraw/zinc/78/44/05/505784405.db2.gz KLSDZLNQRFASNN-UWJYYQICSA-N 1 3 368.525 3.259 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000577749329 505784884 /nfs/dbraw/zinc/78/48/84/505784884.db2.gz YDBKTVYSVCZGAI-IHPCNDPISA-N 1 3 357.542 3.093 20 0 FGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125729087 495488869 /nfs/dbraw/zinc/48/88/69/495488869.db2.gz YWXHKOFFUBXIKH-GJZGRUSLSA-N 1 3 352.910 3.162 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125729087 495488874 /nfs/dbraw/zinc/48/88/74/495488874.db2.gz YWXHKOFFUBXIKH-GJZGRUSLSA-N 1 3 352.910 3.162 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125729087 495488878 /nfs/dbraw/zinc/48/88/78/495488878.db2.gz YWXHKOFFUBXIKH-GJZGRUSLSA-N 1 3 352.910 3.162 20 0 FGADHO O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000580569170 505788405 /nfs/dbraw/zinc/78/84/05/505788405.db2.gz CAGDHRGXVOFXQE-UNMCSNQZSA-N 1 3 355.526 3.033 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176240212 495560662 /nfs/dbraw/zinc/56/06/62/495560662.db2.gz OSPHATGSVCMRKR-UIFIKXQLSA-N 1 3 372.557 3.384 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154359516 495593108 /nfs/dbraw/zinc/59/31/08/495593108.db2.gz JSYLUBGTLIFXFR-SFHVURJKSA-N 1 3 351.922 3.171 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474759 495605842 /nfs/dbraw/zinc/60/58/42/495605842.db2.gz ORJBFWMSXFFIND-ACRUOGEOSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000150751239 495621615 /nfs/dbraw/zinc/62/16/15/495621615.db2.gz QFVCBVSMAYVICF-NRFANRHFSA-N 1 3 374.573 3.046 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000150751239 495621617 /nfs/dbraw/zinc/62/16/17/495621617.db2.gz QFVCBVSMAYVICF-NRFANRHFSA-N 1 3 374.573 3.046 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(F)c1 ZINC000571701191 505793924 /nfs/dbraw/zinc/79/39/24/505793924.db2.gz TYVYNNQCHVPOKJ-UHFFFAOYSA-N 1 3 373.472 3.123 20 0 FGADHO Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000154635634 495679681 /nfs/dbraw/zinc/67/96/81/495679681.db2.gz IFZPZUYVERQIJS-UHFFFAOYSA-N 1 3 374.529 3.028 20 0 FGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc(C[NH+](C)C)c1 ZINC000183326775 495932410 /nfs/dbraw/zinc/93/24/10/495932410.db2.gz LMEHIZOCPANQJP-QHCPKHFHSA-N 1 3 367.537 3.220 20 0 FGADHO CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370833 495936957 /nfs/dbraw/zinc/93/69/57/495936957.db2.gz DKYCXPINIZYREW-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370833 495936958 /nfs/dbraw/zinc/93/69/58/495936958.db2.gz DKYCXPINIZYREW-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370833 495936960 /nfs/dbraw/zinc/93/69/60/495936960.db2.gz DKYCXPINIZYREW-WIYYLYMNSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186340091 495956242 /nfs/dbraw/zinc/95/62/42/495956242.db2.gz ZHKDXVSHISCUIE-QFIPXVFZSA-N 1 3 365.521 3.485 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174537678 495999438 /nfs/dbraw/zinc/99/94/38/495999438.db2.gz FHYOYZUNFTWWMY-FQEVSTJZSA-N 1 3 355.526 3.230 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000177325542 496018772 /nfs/dbraw/zinc/01/87/72/496018772.db2.gz MYISPCDRALIAET-SFHVURJKSA-N 1 3 359.514 3.028 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000152271384 496100223 /nfs/dbraw/zinc/10/02/23/496100223.db2.gz UIFWXWCWXOGTPD-AABGKKOBSA-N 1 3 363.546 3.143 20 0 FGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4ncccn4)CC3)CC2)C1 ZINC000155902810 496102198 /nfs/dbraw/zinc/10/21/98/496102198.db2.gz QYMJRZRDNQFZDR-FXAWDEMLSA-N 1 3 357.546 3.078 20 0 FGADHO COc1cc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc(OC)c1OC ZINC000183952543 496174441 /nfs/dbraw/zinc/17/44/41/496174441.db2.gz ZFZLSOLBSCXHSY-HNNXBMFYSA-N 1 3 350.503 3.485 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000156444629 496246753 /nfs/dbraw/zinc/24/67/53/496246753.db2.gz NVXVBAHMTOABGP-ICSRJNTNSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000156444629 496246756 /nfs/dbraw/zinc/24/67/56/496246756.db2.gz NVXVBAHMTOABGP-ICSRJNTNSA-N 1 3 357.542 3.475 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181061421 496257299 /nfs/dbraw/zinc/25/72/99/496257299.db2.gz OTRWXZQRIYZYJK-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181066192 496257926 /nfs/dbraw/zinc/25/79/26/496257926.db2.gz BTCUDXCNPDUIIK-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000574697536 505834473 /nfs/dbraw/zinc/83/44/73/505834473.db2.gz UYCYIHMXTJVPKB-RTBURBONSA-N 1 3 371.569 3.490 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184222497 496292845 /nfs/dbraw/zinc/29/28/45/496292845.db2.gz XWFWMYMWCFYNHC-UHFFFAOYSA-N 1 3 357.542 3.375 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000172431579 496295384 /nfs/dbraw/zinc/29/53/84/496295384.db2.gz SNGVXWCYHCGTHM-QGZVFWFLSA-N 1 3 363.521 3.447 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000162437941 496352875 /nfs/dbraw/zinc/35/28/75/496352875.db2.gz WMRXDHRTMZLXHJ-NQIIRXRSSA-N 1 3 357.542 3.244 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(OCCN(C)C)cc1 ZINC000178232171 496379452 /nfs/dbraw/zinc/37/94/52/496379452.db2.gz MDNUSEMDOLXSIX-QGZVFWFLSA-N 1 3 354.494 3.455 20 0 FGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000178242284 496384356 /nfs/dbraw/zinc/38/43/56/496384356.db2.gz UVLMCKYSXGOXGW-QZTJIDSGSA-N 1 3 359.558 3.335 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CC3(N(C)C)CCC3)CC2)CC1 ZINC000187333547 496397780 /nfs/dbraw/zinc/39/77/80/496397780.db2.gz GHFSKTRHOJNJLG-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518625 496429552 /nfs/dbraw/zinc/42/95/52/496429552.db2.gz LENYTBJVOQXQHQ-VSKRKVRLSA-N 1 3 371.569 3.117 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000574736550 505844667 /nfs/dbraw/zinc/84/46/67/505844667.db2.gz KWXBENSUYPLNDA-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000163092396 496463150 /nfs/dbraw/zinc/46/31/50/496463150.db2.gz CIEFSLRBNGQYIU-CVEARBPZSA-N 1 3 373.463 3.162 20 0 FGADHO CC(C)N1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163115551 496467779 /nfs/dbraw/zinc/46/77/79/496467779.db2.gz YXERRLVNIVEMQS-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000157502639 496489926 /nfs/dbraw/zinc/48/99/26/496489926.db2.gz XRXAIVCRRGVYPV-QFIPXVFZSA-N 1 3 372.557 3.024 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C12CCCC2 ZINC000181707567 496511061 /nfs/dbraw/zinc/51/10/61/496511061.db2.gz UBRUVTDBGYROOU-FGZHOGPDSA-N 1 3 372.553 3.471 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175730065 496519218 /nfs/dbraw/zinc/51/92/18/496519218.db2.gz ATHQMKGHXVMGSW-SFTDATJTSA-N 1 3 372.557 3.131 20 0 FGADHO O[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000157638715 496521061 /nfs/dbraw/zinc/52/10/61/496521061.db2.gz JICNIMOLSNKZBL-OAQYLSRUSA-N 1 3 360.448 3.295 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164271824 496600894 /nfs/dbraw/zinc/60/08/94/496600894.db2.gz QPSIIJNLEQKSBU-NRFANRHFSA-N 1 3 371.569 3.479 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164271824 496600899 /nfs/dbraw/zinc/60/08/99/496600899.db2.gz QPSIIJNLEQKSBU-NRFANRHFSA-N 1 3 371.569 3.479 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000164546441 496617555 /nfs/dbraw/zinc/61/75/55/496617555.db2.gz YTCZTBYJGUKGSF-GOSISDBHSA-N 1 3 357.542 3.101 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960598 505855292 /nfs/dbraw/zinc/85/52/92/505855292.db2.gz PAIKRGVLVOPWOC-WTIAFYNJSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960598 505855293 /nfs/dbraw/zinc/85/52/93/505855293.db2.gz PAIKRGVLVOPWOC-WTIAFYNJSA-N 1 3 352.522 3.399 20 0 FGADHO CN(c1ccccc1C[NH2+]CCCc1ccccn1)C1CCN(C)CC1 ZINC000178934891 496622195 /nfs/dbraw/zinc/62/21/95/496622195.db2.gz ZKXKRUNMSLAREQ-UHFFFAOYSA-N 1 3 352.526 3.334 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740580 496629909 /nfs/dbraw/zinc/62/99/09/496629909.db2.gz CNXIEQANYBSWOZ-GZOSKZMVSA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740580 496629912 /nfs/dbraw/zinc/62/99/12/496629912.db2.gz CNXIEQANYBSWOZ-GZOSKZMVSA-N 1 3 366.347 3.346 20 0 FGADHO COc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)ccc1F ZINC000154031197 496660074 /nfs/dbraw/zinc/66/00/74/496660074.db2.gz LHFVGMGTLUHIGX-KRWDZBQOSA-N 1 3 363.521 3.435 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000165929386 496673146 /nfs/dbraw/zinc/67/31/46/496673146.db2.gz WWQCJXFSACWDQZ-DZGCQCFKSA-N 1 3 373.335 3.465 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000166329341 496683298 /nfs/dbraw/zinc/68/32/98/496683298.db2.gz RXACMQFGWZRBOB-GHTZIAJQSA-N 1 3 357.542 3.274 20 0 FGADHO CC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN(Cc2ccccc2)CC1 ZINC000182140275 496684999 /nfs/dbraw/zinc/68/49/99/496684999.db2.gz QYLQGQXLLJSIFQ-NRFANRHFSA-N 1 3 369.553 3.233 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000182315421 496729423 /nfs/dbraw/zinc/72/94/23/496729423.db2.gz JMAGTROZTJCCEY-WOJBJXKFSA-N 1 3 360.542 3.415 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)CC1 ZINC000263823318 496735229 /nfs/dbraw/zinc/73/52/29/496735229.db2.gz RFSVUVADPIHAJL-HXUWFJFHSA-N 1 3 357.542 3.332 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979069 496741630 /nfs/dbraw/zinc/74/16/30/496741630.db2.gz JYCQLFGMHHVUJO-LESCRADOSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000246979069 496741634 /nfs/dbraw/zinc/74/16/34/496741634.db2.gz JYCQLFGMHHVUJO-LESCRADOSA-N 1 3 366.347 3.348 20 0 FGADHO Cc1nccnc1[C@H](C)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000188303097 496747181 /nfs/dbraw/zinc/74/71/81/496747181.db2.gz RMHQLWSWKKKGQC-KRWDZBQOSA-N 1 3 354.498 3.153 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000247100514 496778844 /nfs/dbraw/zinc/77/88/44/496778844.db2.gz OOPWEFKEQGJZKG-ZASNGOMBSA-N 1 3 366.571 3.357 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268781211 496782999 /nfs/dbraw/zinc/78/29/99/496782999.db2.gz XZAWAJOXDSBBBB-MTNREXPMSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000268781211 496783004 /nfs/dbraw/zinc/78/30/04/496783004.db2.gz XZAWAJOXDSBBBB-MTNREXPMSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000247145129 496791500 /nfs/dbraw/zinc/79/15/00/496791500.db2.gz WLXHGXISGTYKTE-GUDVDZBRSA-N 1 3 356.514 3.412 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000268921534 496823951 /nfs/dbraw/zinc/82/39/51/496823951.db2.gz WVLSDFYGZLUFIK-UNMCSNQZSA-N 1 3 371.569 3.274 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000268921531 496824047 /nfs/dbraw/zinc/82/40/47/496824047.db2.gz WVLSDFYGZLUFIK-IFMALSPDSA-N 1 3 371.569 3.274 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118539 496825876 /nfs/dbraw/zinc/82/58/76/496825876.db2.gz OBSUBPBTDNNBMO-QGZVFWFLSA-N 1 3 352.910 3.220 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118539 496825881 /nfs/dbraw/zinc/82/58/81/496825881.db2.gz OBSUBPBTDNNBMO-QGZVFWFLSA-N 1 3 352.910 3.220 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838331 /nfs/dbraw/zinc/83/83/31/496838331.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 1 3 354.922 3.193 20 0 FGADHO C[C@H](OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838337 /nfs/dbraw/zinc/83/83/37/496838337.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 1 3 354.922 3.193 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247398513 496850437 /nfs/dbraw/zinc/85/04/37/496850437.db2.gz RDALGCVXFLAXPH-ZVDOUQERSA-N 1 3 374.573 3.411 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976715 496937203 /nfs/dbraw/zinc/93/72/03/496937203.db2.gz KZTAYNLAKUVWIF-QKLQHJQFSA-N 1 3 364.530 3.491 20 0 FGADHO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1(C)C ZINC000188903580 496942522 /nfs/dbraw/zinc/94/25/22/496942522.db2.gz ITOSWVYHMBIQKQ-HKJQZYRSSA-N 1 3 352.563 3.185 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000195551836 496949919 /nfs/dbraw/zinc/94/99/19/496949919.db2.gz CCDJEUQRKKAFNH-RXVVDRJESA-N 1 3 374.573 3.273 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000189093405 497005700 /nfs/dbraw/zinc/00/57/00/497005700.db2.gz SBAUAQQWDCCCKT-ROUUACIJSA-N 1 3 374.504 3.050 20 0 FGADHO COCc1ccccc1/C=C(/C)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000572065915 505880899 /nfs/dbraw/zinc/88/08/99/505880899.db2.gz CBOHAHXMSJXFMU-MNDPQUGUSA-N 1 3 359.558 3.194 20 0 FGADHO COCc1ccccc1/C=C(/C)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000572065915 505880900 /nfs/dbraw/zinc/88/09/00/505880900.db2.gz CBOHAHXMSJXFMU-MNDPQUGUSA-N 1 3 359.558 3.194 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000278225039 497042714 /nfs/dbraw/zinc/04/27/14/497042714.db2.gz JNVWPAWUSQQWBW-UHFFFAOYSA-N 1 3 351.494 3.126 20 0 FGADHO [NH3+][C@H](CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911533 505881736 /nfs/dbraw/zinc/88/17/36/505881736.db2.gz HRVGNWPIGIMVTR-BHDDXSALSA-N 1 3 363.505 3.200 20 0 FGADHO CC1CCN([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000236653820 497127264 /nfs/dbraw/zinc/12/72/64/497127264.db2.gz ZTCQDYBXMWGCLH-NRFANRHFSA-N 1 3 351.494 3.348 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@@H](N)c2ccccc2)c1 ZINC000236922961 497168147 /nfs/dbraw/zinc/16/81/47/497168147.db2.gz UIADQSKOHIBMFS-LAUBAEHRSA-N 1 3 353.510 3.481 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)Cc1ccccc1 ZINC000249281776 497186266 /nfs/dbraw/zinc/18/62/66/497186266.db2.gz KZKULHUHFXWAGW-VNHKHXMHSA-N 1 3 352.522 3.336 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)Cc1ccccc1 ZINC000249281776 497186268 /nfs/dbraw/zinc/18/62/68/497186268.db2.gz KZKULHUHFXWAGW-VNHKHXMHSA-N 1 3 352.522 3.336 20 0 FGADHO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274889943 497191637 /nfs/dbraw/zinc/19/16/37/497191637.db2.gz JFQCWHRHYAOOIH-GHTZIAJQSA-N 1 3 361.493 3.268 20 0 FGADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237178026 497200578 /nfs/dbraw/zinc/20/05/78/497200578.db2.gz WYENJKFOSKOQHC-CRAIPNDOSA-N 1 3 371.447 3.204 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779255 497212053 /nfs/dbraw/zinc/21/20/53/497212053.db2.gz BFUCTRHHNCGDSO-HXUWFJFHSA-N 1 3 365.949 3.209 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779255 497212055 /nfs/dbraw/zinc/21/20/55/497212055.db2.gz BFUCTRHHNCGDSO-HXUWFJFHSA-N 1 3 365.949 3.209 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000192786333 497214277 /nfs/dbraw/zinc/21/42/77/497214277.db2.gz BZGFBDPDEUAGCI-INIZCTEOSA-N 1 3 355.473 3.355 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237400700 497230953 /nfs/dbraw/zinc/23/09/53/497230953.db2.gz HSQJXUNTFFYPGV-SFHVURJKSA-N 1 3 357.542 3.101 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237412595 497232843 /nfs/dbraw/zinc/23/28/43/497232843.db2.gz ZQISNWRFYKZXBV-IRFCIJBXSA-N 1 3 357.542 3.437 20 0 FGADHO Cc1ccc(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237468937 497241258 /nfs/dbraw/zinc/24/12/58/497241258.db2.gz GMTXIJLOBSLNIJ-OXJNMPFZSA-N 1 3 355.482 3.210 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237524359 497250197 /nfs/dbraw/zinc/25/01/97/497250197.db2.gz LQFJOUKNDVQILU-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237524359 497250203 /nfs/dbraw/zinc/25/02/03/497250203.db2.gz LQFJOUKNDVQILU-AVRDEDQJSA-N 1 3 365.521 3.247 20 0 FGADHO N[C@@H](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000237883264 497306976 /nfs/dbraw/zinc/30/69/76/497306976.db2.gz VPOIAWJAXYPEPG-IBGZPJMESA-N 1 3 357.523 3.166 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066831 497344489 /nfs/dbraw/zinc/34/44/89/497344489.db2.gz PHDYWRCWZTWVPV-SFHVURJKSA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066831 497344496 /nfs/dbraw/zinc/34/44/96/497344496.db2.gz PHDYWRCWZTWVPV-SFHVURJKSA-N 1 3 371.529 3.058 20 0 FGADHO c1cc(N2CCC(C[NH2+]CCCc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000193308134 497345854 /nfs/dbraw/zinc/34/58/54/497345854.db2.gz FUVIOIXEGCJGFQ-UHFFFAOYSA-N 1 3 351.494 3.455 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000279157996 497352041 /nfs/dbraw/zinc/35/20/41/497352041.db2.gz TWRFWJJMNLMCOQ-MZADTFQBSA-N 1 3 364.493 3.325 20 0 FGADHO CC[N@@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000578293016 505906231 /nfs/dbraw/zinc/90/62/31/505906231.db2.gz JRLKUSGITWFVKD-FZMZJTMJSA-N 1 3 364.843 3.486 20 0 FGADHO CC[N@H+]1CC[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000578293016 505906234 /nfs/dbraw/zinc/90/62/34/505906234.db2.gz JRLKUSGITWFVKD-FZMZJTMJSA-N 1 3 364.843 3.486 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245629445 497479956 /nfs/dbraw/zinc/47/99/56/497479956.db2.gz HHMWMWOJWOWXPL-RTWAWAEBSA-N 1 3 372.557 3.243 20 0 FGADHO CN(CCCCCCCC[N@H+](C)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000267137010 497490775 /nfs/dbraw/zinc/49/07/75/497490775.db2.gz GOWDZMKPEDMUEI-UHFFFAOYSA-N 1 3 360.550 3.058 20 0 FGADHO CN(CCCCCCCC[N@@H+](C)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000267137010 497490780 /nfs/dbraw/zinc/49/07/80/497490780.db2.gz GOWDZMKPEDMUEI-UHFFFAOYSA-N 1 3 360.550 3.058 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000245860401 497552400 /nfs/dbraw/zinc/55/24/00/497552400.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000245860401 497552404 /nfs/dbraw/zinc/55/24/04/497552404.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)c1oc2ccccc2c1CN(C)C ZINC000276374462 497558096 /nfs/dbraw/zinc/55/80/96/497558096.db2.gz CHPLQGCCZNARSL-UHFFFAOYSA-N 1 3 357.498 3.442 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194069653 497563390 /nfs/dbraw/zinc/56/33/90/497563390.db2.gz NPUGBZSMXLSZNG-BHIFYINESA-N 1 3 370.537 3.081 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272206563 497563754 /nfs/dbraw/zinc/56/37/54/497563754.db2.gz PLQPETLNVDZCHW-PXNSSMCTSA-N 1 3 372.534 3.090 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000578326065 505915236 /nfs/dbraw/zinc/91/52/36/505915236.db2.gz BMJYSACXUXAEHK-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000194219307 497605345 /nfs/dbraw/zinc/60/53/45/497605345.db2.gz DFAXFPZPNXAMRZ-NRFANRHFSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[C@@](C)(N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262717001 497607807 /nfs/dbraw/zinc/60/78/07/497607807.db2.gz VWONZUIKWNTXGR-JOCHJYFZSA-N 1 3 359.558 3.355 20 0 FGADHO C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334210 505917638 /nfs/dbraw/zinc/91/76/38/505917638.db2.gz CZKOWRIZTIJJFT-IPJJNNNSSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334210 505917639 /nfs/dbraw/zinc/91/76/39/505917639.db2.gz CZKOWRIZTIJJFT-IPJJNNNSSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000578334210 505917640 /nfs/dbraw/zinc/91/76/40/505917640.db2.gz CZKOWRIZTIJJFT-IPJJNNNSSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000246274139 497679609 /nfs/dbraw/zinc/67/96/09/497679609.db2.gz JEVRMHAFOLPCCE-JENIJYKNSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442761 497736256 /nfs/dbraw/zinc/73/62/56/497736256.db2.gz IACXPCXCHFMIQT-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442761 497736257 /nfs/dbraw/zinc/73/62/57/497736257.db2.gz IACXPCXCHFMIQT-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608069 497787782 /nfs/dbraw/zinc/78/77/82/497787782.db2.gz WPOXYYYJGFOUBE-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608069 497787784 /nfs/dbraw/zinc/78/77/84/497787784.db2.gz WPOXYYYJGFOUBE-ICSRJNTNSA-N 1 3 360.546 3.071 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000246734956 497805856 /nfs/dbraw/zinc/80/58/56/497805856.db2.gz XXZUXGYRIKVWFV-XLIONFOSSA-N 1 3 360.546 3.010 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896297 497819128 /nfs/dbraw/zinc/81/91/28/497819128.db2.gz FQSAUKYRORGUPS-KGLIPLIRSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896297 497819129 /nfs/dbraw/zinc/81/91/29/497819129.db2.gz FQSAUKYRORGUPS-KGLIPLIRSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896297 497819130 /nfs/dbraw/zinc/81/91/30/497819130.db2.gz FQSAUKYRORGUPS-KGLIPLIRSA-N 1 3 373.419 3.234 20 0 FGADHO CSC1(CN[C@H](Cc2ccccn2)c2cccnc2)CC[NH+](C)CC1 ZINC000578405045 505931515 /nfs/dbraw/zinc/93/15/15/505931515.db2.gz MTTRFMNJYGQGOC-LJQANCHMSA-N 1 3 356.539 3.177 20 0 FGADHO CSC1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCN(C)CC1 ZINC000578405045 505931519 /nfs/dbraw/zinc/93/15/19/505931519.db2.gz MTTRFMNJYGQGOC-LJQANCHMSA-N 1 3 356.539 3.177 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000572319056 505940377 /nfs/dbraw/zinc/94/03/77/505940377.db2.gz FIBSWLMDMZUJFK-WIYYLYMNSA-N 1 3 369.509 3.280 20 0 FGADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443429 505941310 /nfs/dbraw/zinc/94/13/10/505941310.db2.gz UIXBPAAZOGEYMC-OAQYLSRUSA-N 1 3 365.521 3.486 20 0 FGADHO NCC[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443429 505941312 /nfs/dbraw/zinc/94/13/12/505941312.db2.gz UIXBPAAZOGEYMC-OAQYLSRUSA-N 1 3 365.521 3.486 20 0 FGADHO NCC[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443429 505941314 /nfs/dbraw/zinc/94/13/14/505941314.db2.gz UIXBPAAZOGEYMC-OAQYLSRUSA-N 1 3 365.521 3.486 20 0 FGADHO NC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240535 505941325 /nfs/dbraw/zinc/94/13/25/505941325.db2.gz JEZNUJRFOJJWNB-CTNGQTDRSA-N 1 3 366.509 3.156 20 0 FGADHO NC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240535 505941326 /nfs/dbraw/zinc/94/13/26/505941326.db2.gz JEZNUJRFOJJWNB-CTNGQTDRSA-N 1 3 366.509 3.156 20 0 FGADHO c1cncc([C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CCC2)c1 ZINC000280752719 497883821 /nfs/dbraw/zinc/88/38/21/497883821.db2.gz DVWNAJRPERZKAM-JOCHJYFZSA-N 1 3 365.525 3.120 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000569473875 505943829 /nfs/dbraw/zinc/94/38/29/505943829.db2.gz YQULFJAEAKHNON-UXHICEINSA-N 1 3 361.574 3.220 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3c3ccccc3)CC2)CC1 ZINC000581259690 505945482 /nfs/dbraw/zinc/94/54/82/505945482.db2.gz RFKBUHOBMKDVKI-OAQYLSRUSA-N 1 3 355.526 3.156 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329764 505962496 /nfs/dbraw/zinc/96/24/96/505962496.db2.gz FBNBBAWCXSAUSD-PMACEKPBSA-N 1 3 361.530 3.067 20 0 FGADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329764 505962498 /nfs/dbraw/zinc/96/24/98/505962498.db2.gz FBNBBAWCXSAUSD-PMACEKPBSA-N 1 3 361.530 3.067 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558644 505963818 /nfs/dbraw/zinc/96/38/18/505963818.db2.gz BSJCDBMOGJEWPS-PXNSSMCTSA-N 1 3 372.557 3.289 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000569558646 505964197 /nfs/dbraw/zinc/96/41/97/505964197.db2.gz BSJCDBMOGJEWPS-YLJYHZDGSA-N 1 3 372.557 3.289 20 0 FGADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242798 498075257 /nfs/dbraw/zinc/07/52/57/498075257.db2.gz AASMCPZXDMPLLM-LJQANCHMSA-N 1 3 372.509 3.174 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000285671457 498166268 /nfs/dbraw/zinc/16/62/68/498166268.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 1 3 371.294 3.179 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000285671457 498166274 /nfs/dbraw/zinc/16/62/74/498166274.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 1 3 371.294 3.179 20 0 FGADHO COCCOCc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000289535973 498184723 /nfs/dbraw/zinc/18/47/23/498184723.db2.gz CEOFBYLRQNBHSZ-UHFFFAOYSA-N 1 3 372.509 3.080 20 0 FGADHO C[C@@H]1C[C@@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883396 498236268 /nfs/dbraw/zinc/23/62/68/498236268.db2.gz OHQGNPFXXSLRPZ-YLJYHZDGSA-N 1 3 354.498 3.196 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638110 498291426 /nfs/dbraw/zinc/29/14/26/498291426.db2.gz NHGWLNIUHQWSKL-BHDDXSALSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638110 498291431 /nfs/dbraw/zinc/29/14/31/498291431.db2.gz NHGWLNIUHQWSKL-BHDDXSALSA-N 1 3 362.521 3.397 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638110 498291436 /nfs/dbraw/zinc/29/14/36/498291436.db2.gz NHGWLNIUHQWSKL-BHDDXSALSA-N 1 3 362.521 3.397 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165271 498291563 /nfs/dbraw/zinc/29/15/63/498291563.db2.gz VDFCIGAHKDQRNM-HXUWFJFHSA-N 1 3 365.949 3.209 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165271 498291572 /nfs/dbraw/zinc/29/15/72/498291572.db2.gz VDFCIGAHKDQRNM-HXUWFJFHSA-N 1 3 365.949 3.209 20 0 FGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000286328562 498365190 /nfs/dbraw/zinc/36/51/90/498365190.db2.gz XVAKGVAGEYKJAZ-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450867 498389093 /nfs/dbraw/zinc/38/90/93/498389093.db2.gz KOTKVCPYEGVEIZ-JXFKEZNVSA-N 1 3 361.505 3.151 20 0 FGADHO CCN1CCN(c2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297289068 498392979 /nfs/dbraw/zinc/39/29/79/498392979.db2.gz APBWKOSGEQIVSG-UHFFFAOYSA-N 1 3 365.525 3.304 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605258 506026820 /nfs/dbraw/zinc/02/68/20/506026820.db2.gz UYWATYNECOZIAH-PZJWPPBQSA-N 1 3 371.550 3.179 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000578839917 506033108 /nfs/dbraw/zinc/03/31/08/506033108.db2.gz FLBAVYPPYVRKGA-UHFFFAOYSA-N 1 3 364.578 3.064 20 0 FGADHO Cn1cc(-c2ccc(CNCc3cccc(OCC[NH+](C)C)c3)s2)cn1 ZINC000282245686 498436375 /nfs/dbraw/zinc/43/63/75/498436375.db2.gz MKCOQAMGGHBFIZ-UHFFFAOYSA-N 1 3 370.522 3.379 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000362217477 498477679 /nfs/dbraw/zinc/47/76/79/498477679.db2.gz HZXLLQKATPNFFA-OFNKIYASSA-N 1 3 373.585 3.376 20 0 FGADHO CCC(C)(C)C1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000575961378 506042604 /nfs/dbraw/zinc/04/26/04/506042604.db2.gz YWKOSQCLQXZSRB-UHFFFAOYSA-N 1 3 354.583 3.116 20 0 FGADHO COc1ccc(C[NH+]2CCC(CN[C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297657097 498526788 /nfs/dbraw/zinc/52/67/88/498526788.db2.gz KLVLOMZISILZQW-UZLBHIALSA-N 1 3 354.498 3.399 20 0 FGADHO C[C@@]1(CNC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000581726500 506054593 /nfs/dbraw/zinc/05/45/93/506054593.db2.gz PNPJVKVTBJNLQT-GOSISDBHSA-N 1 3 366.347 3.003 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043164 506062572 /nfs/dbraw/zinc/06/25/72/506062572.db2.gz DWTHYWGFKVJLFZ-HZEGPAAWSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000363041677 498619255 /nfs/dbraw/zinc/61/92/55/498619255.db2.gz WXZDEXRNSPRJIU-GHTZIAJQSA-N 1 3 372.557 3.023 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H]1SC ZINC000298040222 498645426 /nfs/dbraw/zinc/64/54/26/498645426.db2.gz HGNPLIZLFDMBAU-ZCNNSNEGSA-N 1 3 364.555 3.158 20 0 FGADHO Cc1ccc(CNCC2([NH+]3CCCC3)CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282798289 498657914 /nfs/dbraw/zinc/65/79/14/498657914.db2.gz ZERAOCJWFRYJEO-UHFFFAOYSA-N 1 3 368.525 3.130 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303503197 498683612 /nfs/dbraw/zinc/68/36/12/498683612.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 1 3 374.573 3.174 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000303503197 498683617 /nfs/dbraw/zinc/68/36/17/498683617.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 1 3 374.573 3.174 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303505552 498683746 /nfs/dbraw/zinc/68/37/46/498683746.db2.gz AZOJUXMUPBCFNU-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303505552 498683753 /nfs/dbraw/zinc/68/37/53/498683753.db2.gz AZOJUXMUPBCFNU-LEWJYISDSA-N 1 3 372.557 3.387 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175157 498687085 /nfs/dbraw/zinc/68/70/85/498687085.db2.gz OQIFDWLXLSNQJL-KCITZHQASA-N 1 3 362.514 3.244 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175157 498687090 /nfs/dbraw/zinc/68/70/90/498687090.db2.gz OQIFDWLXLSNQJL-KCITZHQASA-N 1 3 362.514 3.244 20 0 FGADHO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000303987675 498734046 /nfs/dbraw/zinc/73/40/46/498734046.db2.gz LYOSIEWEFOKDMI-UXHICEINSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000303987675 498734052 /nfs/dbraw/zinc/73/40/52/498734052.db2.gz LYOSIEWEFOKDMI-UXHICEINSA-N 1 3 357.498 3.004 20 0 FGADHO O=C(OCc1ccccc1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000303987675 498734058 /nfs/dbraw/zinc/73/40/58/498734058.db2.gz LYOSIEWEFOKDMI-UXHICEINSA-N 1 3 357.498 3.004 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646352 498760044 /nfs/dbraw/zinc/76/00/44/498760044.db2.gz KELQXAPHWQXEOM-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646352 498760051 /nfs/dbraw/zinc/76/00/51/498760051.db2.gz KELQXAPHWQXEOM-VXKWHMMOSA-N 1 3 368.521 3.155 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648644 498761464 /nfs/dbraw/zinc/76/14/64/498761464.db2.gz GQIRVWIHKZVQRL-VQIMIIECSA-N 1 3 363.502 3.041 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000291032200 498765168 /nfs/dbraw/zinc/76/51/68/498765168.db2.gz GYFCKHFYWLZYAT-QGZVFWFLSA-N 1 3 364.534 3.006 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000291032200 498765171 /nfs/dbraw/zinc/76/51/71/498765171.db2.gz GYFCKHFYWLZYAT-QGZVFWFLSA-N 1 3 364.534 3.006 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000298460554 498778651 /nfs/dbraw/zinc/77/86/51/498778651.db2.gz OFXXSSUKEWGAHV-INIZCTEOSA-N 1 3 355.482 3.288 20 0 FGADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC(F)F ZINC000579087915 506091386 /nfs/dbraw/zinc/09/13/86/506091386.db2.gz GJWYZSICFPERMB-RDJZCZTQSA-N 1 3 370.440 3.015 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963266 506101052 /nfs/dbraw/zinc/10/10/52/506101052.db2.gz SWKCLSYDQYAOQP-RLLQIKCJSA-N 1 3 352.478 3.469 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H]2COc3ccccc3O2)CC[N@H+]1Cc1ccccc1 ZINC000581963266 506101053 /nfs/dbraw/zinc/10/10/53/506101053.db2.gz SWKCLSYDQYAOQP-RLLQIKCJSA-N 1 3 352.478 3.469 20 0 FGADHO Cc1cc2cc[nH]c2cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333147846 498915451 /nfs/dbraw/zinc/91/54/51/498915451.db2.gz GKZUNIPPYVOCHJ-UHFFFAOYSA-N 1 3 369.513 3.156 20 0 FGADHO O=C(Nc1ccc2c(c1F)CCNC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000573074311 506112977 /nfs/dbraw/zinc/11/29/77/506112977.db2.gz QNECGHFAVQEPPR-UHFFFAOYSA-N 1 3 367.468 3.266 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057830 506124102 /nfs/dbraw/zinc/12/41/02/506124102.db2.gz GWRLTRLUVQPFIM-UZLBHIALSA-N 1 3 372.538 3.453 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057830 506124106 /nfs/dbraw/zinc/12/41/06/506124106.db2.gz GWRLTRLUVQPFIM-UZLBHIALSA-N 1 3 372.538 3.453 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000582064822 506125495 /nfs/dbraw/zinc/12/54/95/506125495.db2.gz RKWMDDWIEMIGLC-OAQYLSRUSA-N 1 3 351.494 3.030 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000582064822 506125499 /nfs/dbraw/zinc/12/54/99/506125499.db2.gz RKWMDDWIEMIGLC-OAQYLSRUSA-N 1 3 351.494 3.030 20 0 FGADHO CN1CCC([N@@H+]2CC[C@H](N[C@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829941 499015432 /nfs/dbraw/zinc/01/54/32/499015432.db2.gz UOQIXXCSHCMAEE-SIKLNZKXSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@H](N[C@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829941 499015436 /nfs/dbraw/zinc/01/54/36/499015436.db2.gz UOQIXXCSHCMAEE-SIKLNZKXSA-N 1 3 368.500 3.068 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834619 499017737 /nfs/dbraw/zinc/01/77/37/499017737.db2.gz RUPCZKXBXXRPKC-RAUXBKROSA-N 1 3 374.525 3.388 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834619 499017742 /nfs/dbraw/zinc/01/77/42/499017742.db2.gz RUPCZKXBXXRPKC-RAUXBKROSA-N 1 3 374.525 3.388 20 0 FGADHO CSC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705751 499041803 /nfs/dbraw/zinc/04/18/03/499041803.db2.gz ZJBTUWXFXMKWTF-FQEVSTJZSA-N 1 3 359.583 3.164 20 0 FGADHO CSC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291705751 499041808 /nfs/dbraw/zinc/04/18/08/499041808.db2.gz ZJBTUWXFXMKWTF-FQEVSTJZSA-N 1 3 359.583 3.164 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000366736231 499055306 /nfs/dbraw/zinc/05/53/06/499055306.db2.gz FTXWCEFFCIDVIQ-RBUKOAKNSA-N 1 3 356.514 3.177 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000369872920 499142970 /nfs/dbraw/zinc/14/29/70/499142970.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000369872920 499142972 /nfs/dbraw/zinc/14/29/72/499142972.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cccc(Br)c1 ZINC000367248340 499168193 /nfs/dbraw/zinc/16/81/93/499168193.db2.gz ZZFLMHOGYPNGEZ-GOSISDBHSA-N 1 3 367.331 3.479 20 0 FGADHO CCN1CCN(CCCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367295807 499175121 /nfs/dbraw/zinc/17/51/21/499175121.db2.gz TUXUNIMBSKJDCH-UHFFFAOYSA-N 1 3 351.485 3.218 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370161831 499190657 /nfs/dbraw/zinc/19/06/57/499190657.db2.gz MHGXNRGRJWGNLU-SFHVURJKSA-N 1 3 373.541 3.357 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370161831 499190659 /nfs/dbraw/zinc/19/06/59/499190659.db2.gz MHGXNRGRJWGNLU-SFHVURJKSA-N 1 3 373.541 3.357 20 0 FGADHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698834 499245752 /nfs/dbraw/zinc/24/57/52/499245752.db2.gz KISJEAGISXEUIV-AVRDEDQJSA-N 1 3 367.537 3.306 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000370772361 499253284 /nfs/dbraw/zinc/25/32/84/499253284.db2.gz KXQMKGQKAYHQQW-WVCANSMHSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@@H](N)c1ccccc1 ZINC000370772361 499253286 /nfs/dbraw/zinc/25/32/86/499253286.db2.gz KXQMKGQKAYHQQW-WVCANSMHSA-N 1 3 363.505 3.084 20 0 FGADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368155534 499269572 /nfs/dbraw/zinc/26/95/72/499269572.db2.gz OTDVJDBLBQJYOG-AZUAARDMSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155534 499269573 /nfs/dbraw/zinc/26/95/73/499269573.db2.gz OTDVJDBLBQJYOG-AZUAARDMSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368421216 499294162 /nfs/dbraw/zinc/29/41/62/499294162.db2.gz BZJFPIDSXLHHHO-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H](NCc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421216 499294163 /nfs/dbraw/zinc/29/41/63/499294163.db2.gz BZJFPIDSXLHHHO-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368421216 499294164 /nfs/dbraw/zinc/29/41/64/499294164.db2.gz BZJFPIDSXLHHHO-NQIIRXRSSA-N 1 3 361.493 3.268 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCC34CCOCC4)CC2)c1 ZINC000368525585 499304534 /nfs/dbraw/zinc/30/45/34/499304534.db2.gz FOQSPMHMXUUIMU-QFIPXVFZSA-N 1 3 371.569 3.446 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329856 499311300 /nfs/dbraw/zinc/31/13/00/499311300.db2.gz OPRUVDUVMIRKOE-FXAWDEMLSA-N 1 3 369.509 3.208 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329856 499311302 /nfs/dbraw/zinc/31/13/02/499311302.db2.gz OPRUVDUVMIRKOE-FXAWDEMLSA-N 1 3 369.509 3.208 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624747 499314780 /nfs/dbraw/zinc/31/47/80/499314780.db2.gz WOVVKPQZMOBTTL-GOSISDBHSA-N 1 3 368.525 3.321 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624747 499314782 /nfs/dbraw/zinc/31/47/82/499314782.db2.gz WOVVKPQZMOBTTL-GOSISDBHSA-N 1 3 368.525 3.321 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000368650924 499317381 /nfs/dbraw/zinc/31/73/81/499317381.db2.gz RHFVHLDIIQDWRA-CDNGDFIJSA-N 1 3 360.542 3.296 20 0 FGADHO COc1ccccc1C[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000369182805 499375225 /nfs/dbraw/zinc/37/52/25/499375225.db2.gz IUNKSGMJWFOCLW-NRFANRHFSA-N 1 3 373.585 3.366 20 0 FGADHO COc1ccccc1C[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000369182805 499375227 /nfs/dbraw/zinc/37/52/27/499375227.db2.gz IUNKSGMJWFOCLW-NRFANRHFSA-N 1 3 373.585 3.366 20 0 FGADHO C[C@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000371979570 499386292 /nfs/dbraw/zinc/38/62/92/499386292.db2.gz MORMFMLHUXBXDZ-KRWDZBQOSA-N 1 3 373.541 3.057 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@H](N)c1ccccc1 ZINC000372099328 499398913 /nfs/dbraw/zinc/39/89/13/499398913.db2.gz SZMMAGWYXRNEDC-CBVHJVASSA-N 1 3 357.523 3.193 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[C@H](N)c1ccccc1 ZINC000372099328 499398915 /nfs/dbraw/zinc/39/89/15/499398915.db2.gz SZMMAGWYXRNEDC-CBVHJVASSA-N 1 3 357.523 3.193 20 0 FGADHO CN1CCC2(CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000372433139 499434067 /nfs/dbraw/zinc/43/40/67/499434067.db2.gz BBORNAHIFWJUOU-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373176502 499455612 /nfs/dbraw/zinc/45/56/12/499455612.db2.gz LQJLLAZFMVCUJI-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373176502 499455613 /nfs/dbraw/zinc/45/56/13/499455613.db2.gz LQJLLAZFMVCUJI-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cccc(C)c1OCCCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176502 499455614 /nfs/dbraw/zinc/45/56/14/499455614.db2.gz LQJLLAZFMVCUJI-HXUWFJFHSA-N 1 3 359.558 3.173 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558667 499476903 /nfs/dbraw/zinc/47/69/03/499476903.db2.gz CQIXLAWLRPWUNY-RARDXLECSA-N 1 3 374.525 3.170 20 0 FGADHO COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558667 499476904 /nfs/dbraw/zinc/47/69/04/499476904.db2.gz CQIXLAWLRPWUNY-RARDXLECSA-N 1 3 374.525 3.170 20 0 FGADHO c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(CN2CCC[C@@]23CCOC3)c1 ZINC000375278193 499502648 /nfs/dbraw/zinc/50/26/48/499502648.db2.gz KGPFNJXVVVYOPC-VXKWHMMOSA-N 1 3 356.510 3.196 20 0 FGADHO c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(CN2CCC[C@@]23CCOC3)c1 ZINC000375278193 499502650 /nfs/dbraw/zinc/50/26/50/499502650.db2.gz KGPFNJXVVVYOPC-VXKWHMMOSA-N 1 3 356.510 3.196 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473444 499521396 /nfs/dbraw/zinc/52/13/96/499521396.db2.gz KCTKLFHWZOSPMO-HOJAQTOUSA-N 1 3 357.546 3.078 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622937 499541971 /nfs/dbraw/zinc/54/19/71/499541971.db2.gz HOUMROKIOJSUNH-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622937 499541973 /nfs/dbraw/zinc/54/19/73/499541973.db2.gz HOUMROKIOJSUNH-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379676787 499542588 /nfs/dbraw/zinc/54/25/88/499542588.db2.gz AWNBERMDCQDTBD-QMMLZNLJSA-N 1 3 357.542 3.453 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676787 499542589 /nfs/dbraw/zinc/54/25/89/499542589.db2.gz AWNBERMDCQDTBD-QMMLZNLJSA-N 1 3 357.542 3.453 20 0 FGADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COc1ccccc1 ZINC000380852677 499544224 /nfs/dbraw/zinc/54/42/24/499544224.db2.gz CNDHNLOOIKWDFU-VXKWHMMOSA-N 1 3 368.521 3.318 20 0 FGADHO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381942241 499545332 /nfs/dbraw/zinc/54/53/32/499545332.db2.gz ZFFSXIMUTSGDCO-MAUKXSAKSA-N 1 3 366.431 3.446 20 0 FGADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc2c(c1)CNC2 ZINC000390989978 499556020 /nfs/dbraw/zinc/55/60/20/499556020.db2.gz WSIFTYBHOWXQGX-FRIKZZABSA-N 1 3 361.489 3.215 20 0 FGADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)CNC2 ZINC000390989978 499556022 /nfs/dbraw/zinc/55/60/22/499556022.db2.gz WSIFTYBHOWXQGX-FRIKZZABSA-N 1 3 361.489 3.215 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@@H]21 ZINC000375854595 499562584 /nfs/dbraw/zinc/56/25/84/499562584.db2.gz UWCZDOFXVNDLDY-ACRUOGEOSA-N 1 3 364.493 3.296 20 0 FGADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000375862353 499563003 /nfs/dbraw/zinc/56/30/03/499563003.db2.gz RNRYSDJJYAHZOO-FDFHNCONSA-N 1 3 357.542 3.176 20 0 FGADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000375862353 499563005 /nfs/dbraw/zinc/56/30/05/499563005.db2.gz RNRYSDJJYAHZOO-FDFHNCONSA-N 1 3 357.542 3.176 20 0 FGADHO COc1cccc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397498406 499564124 /nfs/dbraw/zinc/56/41/24/499564124.db2.gz SPEWEANYRKYTSY-GOSISDBHSA-N 1 3 354.494 3.373 20 0 FGADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2 ZINC000397609263 499564587 /nfs/dbraw/zinc/56/45/87/499564587.db2.gz QQCHWRZOTHLQTO-QFIPXVFZSA-N 1 3 366.505 3.299 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC000398058003 499566255 /nfs/dbraw/zinc/56/62/55/499566255.db2.gz LSIGCNMFHVKYLH-DUXKGJEZSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC000398058003 499566257 /nfs/dbraw/zinc/56/62/57/499566257.db2.gz LSIGCNMFHVKYLH-DUXKGJEZSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCN(c4ccnn4C)C3)CC2)C1 ZINC000376056439 499579217 /nfs/dbraw/zinc/57/92/17/499579217.db2.gz VVMOHHRORGQZDM-YZGWKJHDSA-N 1 3 359.562 3.022 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000573238946 506151032 /nfs/dbraw/zinc/15/10/32/506151032.db2.gz FKDCPXWUBQWAGX-GCJKJVERSA-N 1 3 366.505 3.333 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307400 499678536 /nfs/dbraw/zinc/67/85/36/499678536.db2.gz IOTBCMVOHVLUNK-FXAWDEMLSA-N 1 3 353.510 3.136 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307400 499678537 /nfs/dbraw/zinc/67/85/37/499678537.db2.gz IOTBCMVOHVLUNK-FXAWDEMLSA-N 1 3 353.510 3.136 20 0 FGADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377398935 499686914 /nfs/dbraw/zinc/68/69/14/499686914.db2.gz BQOASQOUMNFQQB-XLIONFOSSA-N 1 3 354.498 3.233 20 0 FGADHO CN1CCN(CC2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000377634787 499713531 /nfs/dbraw/zinc/71/35/31/499713531.db2.gz YOTUOFQWBKLAQU-UHFFFAOYSA-N 1 3 361.496 3.315 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411443539 499741032 /nfs/dbraw/zinc/74/10/32/499741032.db2.gz YJSCEQRAXPZLBE-KRWDZBQOSA-N 1 3 357.542 3.205 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928312 499748806 /nfs/dbraw/zinc/74/88/06/499748806.db2.gz XKXRESZPPNNIPM-XPYUAMARSA-N 1 3 363.933 3.179 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928312 499748807 /nfs/dbraw/zinc/74/88/07/499748807.db2.gz XKXRESZPPNNIPM-XPYUAMARSA-N 1 3 363.933 3.179 20 0 FGADHO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558925 499762967 /nfs/dbraw/zinc/76/29/67/499762967.db2.gz MQCOVKUEJSLFRX-LEWJYISDSA-N 1 3 374.525 3.215 20 0 FGADHO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1C ZINC000414179271 499765899 /nfs/dbraw/zinc/76/58/99/499765899.db2.gz AFTQZDXCAGTCHX-HXUWFJFHSA-N 1 3 359.558 3.059 20 0 FGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414184305 499766741 /nfs/dbraw/zinc/76/67/41/499766741.db2.gz FPTNOTRHNVZPPX-VXKWHMMOSA-N 1 3 371.569 3.257 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2sccc21 ZINC000414207192 499768490 /nfs/dbraw/zinc/76/84/90/499768490.db2.gz ZGUSXKSHCWIFKF-SJLPKXTDSA-N 1 3 363.571 3.073 20 0 FGADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411659410 499774053 /nfs/dbraw/zinc/77/40/53/499774053.db2.gz GSOQKKOFQTZEAU-JOCHJYFZSA-N 1 3 358.526 3.442 20 0 FGADHO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414299568 499775354 /nfs/dbraw/zinc/77/53/54/499775354.db2.gz UHINCXIEHQXSPN-DZFGPLHGSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414299568 499775355 /nfs/dbraw/zinc/77/53/55/499775355.db2.gz UHINCXIEHQXSPN-DZFGPLHGSA-N 1 3 356.485 3.402 20 0 FGADHO C[C@H](NC[C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299568 499775358 /nfs/dbraw/zinc/77/53/58/499775358.db2.gz UHINCXIEHQXSPN-DZFGPLHGSA-N 1 3 356.485 3.402 20 0 FGADHO CC(C)n1ccc(C[C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000414312823 499776752 /nfs/dbraw/zinc/77/67/52/499776752.db2.gz WXYKWJFLBVQBGF-IBGZPJMESA-N 1 3 370.541 3.012 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)CC1 ZINC000414346975 499779708 /nfs/dbraw/zinc/77/97/08/499779708.db2.gz WBFRFVWPRZOTMX-UHFFFAOYSA-N 1 3 369.553 3.442 20 0 FGADHO C[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)CC1CCOCC1 ZINC000414519560 499802312 /nfs/dbraw/zinc/80/23/12/499802312.db2.gz BJXOIVRAMOWSLL-LJQANCHMSA-N 1 3 360.542 3.056 20 0 FGADHO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679880 499819981 /nfs/dbraw/zinc/81/99/81/499819981.db2.gz SHCUFWYZGSRQDW-YLJYHZDGSA-N 1 3 357.542 3.318 20 0 FGADHO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414679880 499819983 /nfs/dbraw/zinc/81/99/83/499819983.db2.gz SHCUFWYZGSRQDW-YLJYHZDGSA-N 1 3 357.542 3.318 20 0 FGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771739 499828938 /nfs/dbraw/zinc/82/89/38/499828938.db2.gz AIXFKOZWQPDDJD-KBPBESRZSA-N 1 3 353.304 3.279 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412161057 499829190 /nfs/dbraw/zinc/82/91/90/499829190.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412161057 499829191 /nfs/dbraw/zinc/82/91/91/499829191.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 1 3 357.542 3.275 20 0 FGADHO Clc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784254 499830834 /nfs/dbraw/zinc/83/08/34/499830834.db2.gz RAVSTQVAOUFKPT-HOTGVXAUSA-N 1 3 350.890 3.323 20 0 FGADHO CCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCC ZINC000414786779 499831159 /nfs/dbraw/zinc/83/11/59/499831159.db2.gz LJBBSQSSJXXAAV-NQIIRXRSSA-N 1 3 362.514 3.202 20 0 FGADHO Cc1ccc(-c2ncc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)s2)cc1 ZINC000414795370 499832095 /nfs/dbraw/zinc/83/20/95/499832095.db2.gz WEQFCEXGMMWBMM-MOPGFXCFSA-N 1 3 357.523 3.447 20 0 FGADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000414801740 499832968 /nfs/dbraw/zinc/83/29/68/499832968.db2.gz MCDGLJXKJHCPNH-OALUTQOASA-N 1 3 355.482 3.276 20 0 FGADHO CCN1CCN(c2ccccc2CNCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414806590 499833106 /nfs/dbraw/zinc/83/31/06/499833106.db2.gz HSYBTWUJTXOVKI-GOSISDBHSA-N 1 3 352.526 3.138 20 0 FGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414806437 499833219 /nfs/dbraw/zinc/83/32/19/499833219.db2.gz BSZGTJUTGPVBHU-CABCVRRESA-N 1 3 371.481 3.230 20 0 FGADHO CCOc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414809372 499833514 /nfs/dbraw/zinc/83/35/14/499833514.db2.gz UBEMXIHTUSZTHF-UKRRQHHQSA-N 1 3 371.319 3.464 20 0 FGADHO NC[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C1CC1 ZINC000414815064 499834044 /nfs/dbraw/zinc/83/40/44/499834044.db2.gz ZWBWMCDXFRBWJY-AWEZNQCLSA-N 1 3 352.301 3.400 20 0 FGADHO CC1(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH2+]CC1 ZINC000414897012 499842764 /nfs/dbraw/zinc/84/27/64/499842764.db2.gz CTJIUUBWNHCRSK-UHFFFAOYSA-N 1 3 354.285 3.053 20 0 FGADHO [NH3+]C[C@H](NC1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945701 499847682 /nfs/dbraw/zinc/84/76/82/499847682.db2.gz RYEPHFWIISRWCV-QHCPKHFHSA-N 1 3 360.505 3.489 20 0 FGADHO NC[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000414945701 499847683 /nfs/dbraw/zinc/84/76/83/499847683.db2.gz RYEPHFWIISRWCV-QHCPKHFHSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@H](CCCC[NH3+])NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415015155 499855107 /nfs/dbraw/zinc/85/51/07/499855107.db2.gz NOUCLGKUFFGODG-GFCCVEGCSA-N 1 3 351.292 3.446 20 0 FGADHO C[C@@H](CCCC[NH3+])NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000415015157 499855474 /nfs/dbraw/zinc/85/54/74/499855474.db2.gz NOUCLGKUFFGODG-LBPRGKRZSA-N 1 3 351.292 3.446 20 0 FGADHO C[C@@H](CCC[NH3+])NCc1ccc(I)cc1Cl ZINC000415027698 499856226 /nfs/dbraw/zinc/85/62/26/499856226.db2.gz XEQAKJGVMZYRSX-VIFPVBQESA-N 1 3 352.647 3.162 20 0 FGADHO COc1ccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075303 499860827 /nfs/dbraw/zinc/86/08/27/499860827.db2.gz BGOPMCMJKNYDIA-DOTOQJQBSA-N 1 3 350.503 3.155 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415073040 499860831 /nfs/dbraw/zinc/86/08/31/499860831.db2.gz YVVDOQVXHDBIHO-MLGOLLRUSA-N 1 3 368.319 3.273 20 0 FGADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000415081810 499861778 /nfs/dbraw/zinc/86/17/78/499861778.db2.gz CGXIAHVJKZORDN-IERDGZPVSA-N 1 3 371.912 3.216 20 0 FGADHO c1ccc([C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091539 499862509 /nfs/dbraw/zinc/86/25/09/499862509.db2.gz QQSIYCACODWEDC-VABKMULXSA-N 1 3 365.521 3.143 20 0 FGADHO CCCCCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103251 499863910 /nfs/dbraw/zinc/86/39/10/499863910.db2.gz CYPYGCLFVUIRFV-LJQANCHMSA-N 1 3 357.502 3.143 20 0 FGADHO CCOc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415124886 499866917 /nfs/dbraw/zinc/86/69/17/499866917.db2.gz CWRJAELYSQKQFN-UHFFFAOYSA-N 1 3 353.510 3.168 20 0 FGADHO COc1ccc(C)cc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137945 499869194 /nfs/dbraw/zinc/86/91/94/499869194.db2.gz UNHZIZQYNJDSMG-UHFFFAOYSA-N 1 3 353.510 3.087 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000413193545 499925312 /nfs/dbraw/zinc/92/53/12/499925312.db2.gz AMFJWUJXDXPWBQ-RTBURBONSA-N 1 3 364.578 3.059 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000415903229 499926243 /nfs/dbraw/zinc/92/62/43/499926243.db2.gz PZKYEKIPTCUASE-GOSISDBHSA-N 1 3 360.889 3.484 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000415914027 499927623 /nfs/dbraw/zinc/92/76/23/499927623.db2.gz UBTKEYWRHSUKQO-FXAWDEMLSA-N 1 3 366.509 3.438 20 0 FGADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415965961 499934669 /nfs/dbraw/zinc/93/46/69/499934669.db2.gz FWRRAJQQRNGOHS-KRWDZBQOSA-N 1 3 370.419 3.114 20 0 FGADHO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415965961 499934671 /nfs/dbraw/zinc/93/46/71/499934671.db2.gz FWRRAJQQRNGOHS-KRWDZBQOSA-N 1 3 370.419 3.114 20 0 FGADHO CC[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000415973657 499935805 /nfs/dbraw/zinc/93/58/05/499935805.db2.gz JRZXQRYYNQCACA-FQEVSTJZSA-N 1 3 352.482 3.104 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977787 499936636 /nfs/dbraw/zinc/93/66/36/499936636.db2.gz YRNRNGCKNNAFER-UTKZUKDTSA-N 1 3 366.509 3.438 20 0 FGADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CNC4)C2)CC1 ZINC000415988232 499938112 /nfs/dbraw/zinc/93/81/12/499938112.db2.gz CNIGDFNTGDUKOT-QGZVFWFLSA-N 1 3 356.514 3.266 20 0 FGADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415988832 499938120 /nfs/dbraw/zinc/93/81/20/499938120.db2.gz DZIOIFDNHPRLPD-UHFFFAOYSA-N 1 3 372.435 3.418 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415991507 499938408 /nfs/dbraw/zinc/93/84/08/499938408.db2.gz PNVMBLWQOBSKAQ-FQEVSTJZSA-N 1 3 352.482 3.192 20 0 FGADHO C[C@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202155 500003687 /nfs/dbraw/zinc/00/36/87/500003687.db2.gz ZGFLVNHSQOTQAI-DYESRHJHSA-N 1 3 368.525 3.261 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C/C=C/c3ccc(F)cc3F)CC2)CC1 ZINC000421374088 500031352 /nfs/dbraw/zinc/03/13/52/500031352.db2.gz NHQCLEDVRLAIAO-HWKANZROSA-N 1 3 363.496 3.470 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)cc1 ZINC000417356902 500047980 /nfs/dbraw/zinc/04/79/80/500047980.db2.gz QQAHKRGRQOJGOF-SFHLNBCPSA-N 1 3 372.557 3.196 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429336921 500054750 /nfs/dbraw/zinc/05/47/50/500054750.db2.gz WYBKBEPCQIOHRJ-GOSISDBHSA-N 1 3 367.468 3.322 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000429478544 500084599 /nfs/dbraw/zinc/08/45/99/500084599.db2.gz TVODDRFIRKIQHG-QGZVFWFLSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000429522627 500092707 /nfs/dbraw/zinc/09/27/07/500092707.db2.gz PVCMHJACPZFDRM-UZLBHIALSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000429522626 500092749 /nfs/dbraw/zinc/09/27/49/500092749.db2.gz PVCMHJACPZFDRM-OXQOHEQNSA-N 1 3 369.484 3.374 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000417537154 500100388 /nfs/dbraw/zinc/10/03/88/500100388.db2.gz CPKXFPHIKWNIOF-PXNSSMCTSA-N 1 3 360.546 3.229 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537154 500100392 /nfs/dbraw/zinc/10/03/92/500100392.db2.gz CPKXFPHIKWNIOF-PXNSSMCTSA-N 1 3 360.546 3.229 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564622 500104636 /nfs/dbraw/zinc/10/46/36/500104636.db2.gz FNOHXQFKGIVHNO-DYESRHJHSA-N 1 3 357.542 3.196 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416831311 500132076 /nfs/dbraw/zinc/13/20/76/500132076.db2.gz AVZRKDORIACFIV-OAQYLSRUSA-N 1 3 368.525 3.240 20 0 FGADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416839771 500134762 /nfs/dbraw/zinc/13/47/62/500134762.db2.gz KGGVUNOUZDWLOC-SFHVURJKSA-N 1 3 372.538 3.056 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000416850283 500137603 /nfs/dbraw/zinc/13/76/03/500137603.db2.gz ZMCXLJRIGRBUCV-OAQYLSRUSA-N 1 3 368.525 3.022 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417677578 500146828 /nfs/dbraw/zinc/14/68/28/500146828.db2.gz GCLHTCPXVUHACN-LAUBAEHRSA-N 1 3 372.557 3.419 20 0 FGADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417690767 500149150 /nfs/dbraw/zinc/14/91/50/500149150.db2.gz LRPFDIWMAKDHMU-XLIONFOSSA-N 1 3 360.546 3.227 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357408 506178787 /nfs/dbraw/zinc/17/87/87/506178787.db2.gz ASYNLOHSAVPSRG-SYYKKAFVSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357408 506178789 /nfs/dbraw/zinc/17/87/89/506178789.db2.gz ASYNLOHSAVPSRG-SYYKKAFVSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000573357408 506178790 /nfs/dbraw/zinc/17/87/90/506178790.db2.gz ASYNLOHSAVPSRG-SYYKKAFVSA-N 1 3 360.542 3.152 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417698274 500151654 /nfs/dbraw/zinc/15/16/54/500151654.db2.gz XGYTVFSLPJZXSZ-OXJNMPFZSA-N 1 3 358.530 3.029 20 0 FGADHO CCCN(C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000417699721 500152081 /nfs/dbraw/zinc/15/20/81/500152081.db2.gz HYCLGNHCIWNHQX-KRWDZBQOSA-N 1 3 360.546 3.289 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417702895 500152280 /nfs/dbraw/zinc/15/22/80/500152280.db2.gz JEOLDPDOYQXRIN-QUCCMNQESA-N 1 3 358.530 3.126 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702895 500152283 /nfs/dbraw/zinc/15/22/83/500152283.db2.gz JEOLDPDOYQXRIN-QUCCMNQESA-N 1 3 358.530 3.126 20 0 FGADHO COc1ccc([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850230 500163156 /nfs/dbraw/zinc/16/31/56/500163156.db2.gz DDUJEQXJDOUVGN-LJQANCHMSA-N 1 3 351.510 3.147 20 0 FGADHO COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000421867959 500166078 /nfs/dbraw/zinc/16/60/78/500166078.db2.gz PTWBJWRMFCWTPW-FYZZASKESA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1Cc1ccccc1 ZINC000417835739 500181310 /nfs/dbraw/zinc/18/13/10/500181310.db2.gz LDHMYGSWROQHAY-QMMLZNLJSA-N 1 3 372.557 3.246 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3C(F)F)CC2)CC1 ZINC000425699340 500184785 /nfs/dbraw/zinc/18/47/85/500184785.db2.gz IHPXHJQNJJYZNA-UHFFFAOYSA-N 1 3 366.456 3.304 20 0 FGADHO N=C1Nc2nc3ccccc3n2[C@@]2(CC[N@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301383 506181196 /nfs/dbraw/zinc/18/11/96/506181196.db2.gz DFIQYPYEIVPSMR-JOCHJYFZSA-N 1 3 372.476 3.468 20 0 FGADHO N=C1Nc2nc3ccccc3n2[C@@]2(CC[N@@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301383 506181201 /nfs/dbraw/zinc/18/12/01/506181201.db2.gz DFIQYPYEIVPSMR-JOCHJYFZSA-N 1 3 372.476 3.468 20 0 FGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430217716 500210788 /nfs/dbraw/zinc/21/07/88/500210788.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430217716 500210789 /nfs/dbraw/zinc/21/07/89/500210789.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430244199 500214253 /nfs/dbraw/zinc/21/42/53/500214253.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430244199 500214255 /nfs/dbraw/zinc/21/42/55/500214255.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000426134225 500239845 /nfs/dbraw/zinc/23/98/45/500239845.db2.gz SHELQQBNHFSQKO-KRWDZBQOSA-N 1 3 362.518 3.013 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH3+])Cc1ccccc1)N(C)C ZINC000418175993 500242830 /nfs/dbraw/zinc/24/28/30/500242830.db2.gz GNSKZJUJONQUIM-NQIIRXRSSA-N 1 3 368.525 3.157 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000418182721 500244396 /nfs/dbraw/zinc/24/43/96/500244396.db2.gz NGGRUTCXEWIKBG-FXAWDEMLSA-N 1 3 360.546 3.017 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418188996 500245748 /nfs/dbraw/zinc/24/57/48/500245748.db2.gz GXZTYCJVUVYLQW-QHAWAJNXSA-N 1 3 372.557 3.024 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418229263 500253346 /nfs/dbraw/zinc/25/33/46/500253346.db2.gz GONHFGFABQHDKQ-ZWKOTPCHSA-N 1 3 366.575 3.026 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418233571 500253866 /nfs/dbraw/zinc/25/38/66/500253866.db2.gz GUULIVDKKQWAFW-UFYCRDLUSA-N 1 3 364.578 3.061 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](N)CC1CCCCC1 ZINC000570519125 506186198 /nfs/dbraw/zinc/18/61/98/506186198.db2.gz BJTYYXJDYINTRL-OAQYLSRUSA-N 1 3 372.557 3.444 20 0 FGADHO CCCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418386216 500270955 /nfs/dbraw/zinc/27/09/55/500270955.db2.gz MQEIYHBKZBZKSP-CBNMVNINSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418407836 500272910 /nfs/dbraw/zinc/27/29/10/500272910.db2.gz MDCVTXZCUDKRMQ-PMXSJFBMSA-N 1 3 372.557 3.198 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705242 500287551 /nfs/dbraw/zinc/28/75/51/500287551.db2.gz RCTAZOBFUDAVIH-RCCFBDPRSA-N 1 3 362.514 3.155 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422705926 500287912 /nfs/dbraw/zinc/28/79/12/500287912.db2.gz DBMZBCOEHMSXGU-QAPCUYQASA-N 1 3 355.448 3.387 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCN1 ZINC000422710573 500288735 /nfs/dbraw/zinc/28/87/35/500288735.db2.gz LLXHNFONICJZLE-UKPHBRMFSA-N 1 3 352.320 3.148 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422722290 500290284 /nfs/dbraw/zinc/29/02/84/500290284.db2.gz PBYKBBVLFSBXBP-CZUORRHYSA-N 1 3 352.404 3.369 20 0 FGADHO C[C@@H]1Cc2ccccc2N1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752931 500293992 /nfs/dbraw/zinc/29/39/92/500293992.db2.gz BMSKUPDMCLBTBE-HCLVMJGWSA-N 1 3 363.505 3.283 20 0 FGADHO O=C(c1ccccc1)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422768503 500295951 /nfs/dbraw/zinc/29/59/51/500295951.db2.gz SFNWYLOAEFNYMY-BHIFYINESA-N 1 3 369.553 3.439 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418602957 500296023 /nfs/dbraw/zinc/29/60/23/500296023.db2.gz WFLFQBOSQSKOOQ-DUXKGJEZSA-N 1 3 372.557 3.198 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000422772287 500296058 /nfs/dbraw/zinc/29/60/58/500296058.db2.gz WPODFTCIQYHVDF-GHTZIAJQSA-N 1 3 357.542 3.439 20 0 FGADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422784346 500297675 /nfs/dbraw/zinc/29/76/75/500297675.db2.gz LWGHBJYMSVPRKP-CEXWTWQISA-N 1 3 357.523 3.099 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636389 500299069 /nfs/dbraw/zinc/29/90/69/500299069.db2.gz IGWLCJQSHBXVGK-IBGZPJMESA-N 1 3 360.546 3.058 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418636018 500299245 /nfs/dbraw/zinc/29/92/45/500299245.db2.gz HNRKVLBXOSRJFZ-HXUWFJFHSA-N 1 3 372.557 3.071 20 0 FGADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840513 500304079 /nfs/dbraw/zinc/30/40/79/500304079.db2.gz TVVPSJYUUIVKGU-RJGXRXQPSA-N 1 3 371.569 3.044 20 0 FGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875700 500308682 /nfs/dbraw/zinc/30/86/82/500308682.db2.gz CWTIKAVQRXCPJR-KBPBESRZSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875700 500308685 /nfs/dbraw/zinc/30/86/85/500308685.db2.gz CWTIKAVQRXCPJR-KBPBESRZSA-N 1 3 355.320 3.213 20 0 FGADHO COc1cc(OC)c(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884267 500310529 /nfs/dbraw/zinc/31/05/29/500310529.db2.gz DQVCAVQOAQCVHT-HOTGVXAUSA-N 1 3 350.503 3.155 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422890057 500311842 /nfs/dbraw/zinc/31/18/42/500311842.db2.gz HSELBRCDXKBXGB-QAPCUYQASA-N 1 3 366.347 3.131 20 0 FGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430965638 500314168 /nfs/dbraw/zinc/31/41/68/500314168.db2.gz LXXIIAYZJKKKDG-UHFFFAOYSA-N 1 3 352.526 3.432 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422906775 500314557 /nfs/dbraw/zinc/31/45/57/500314557.db2.gz KIORKMYJESBENT-LSBZLQRGSA-N 1 3 353.913 3.421 20 0 FGADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(CN)nc3C)CC2)cc1 ZINC000422911701 500315250 /nfs/dbraw/zinc/31/52/50/500315250.db2.gz UHYWQXXXASBHPS-MRXNPFEDSA-N 1 3 366.509 3.113 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc3ccccc3n2CC)CC[NH2+]CC1 ZINC000422909314 500315746 /nfs/dbraw/zinc/31/57/46/500315746.db2.gz FPNQMLKJAGLWNO-HOTGVXAUSA-N 1 3 372.513 3.028 20 0 FGADHO COc1cccc(OCCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422923363 500317685 /nfs/dbraw/zinc/31/76/85/500317685.db2.gz RUKIQQIFMQVXSU-RBBKRZOGSA-N 1 3 368.477 3.310 20 0 FGADHO Cc1sc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000422930640 500318215 /nfs/dbraw/zinc/31/82/15/500318215.db2.gz VIMOCMRBROPXEL-GBESFXJTSA-N 1 3 371.550 3.408 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422928816 500318548 /nfs/dbraw/zinc/31/85/48/500318548.db2.gz MTUNEJQFUWGSKG-LBPRGKRZSA-N 1 3 361.873 3.167 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422931359 500319184 /nfs/dbraw/zinc/31/91/84/500319184.db2.gz XJKRMSYNZIOBPV-RDTXWAMCSA-N 1 3 360.885 3.202 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000422935169 500319760 /nfs/dbraw/zinc/31/97/60/500319760.db2.gz DEMQOCQNCKZYPE-HSQYWUDLSA-N 1 3 354.494 3.150 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(OCc2ccccc2)cc1 ZINC000422935169 500319763 /nfs/dbraw/zinc/31/97/63/500319763.db2.gz DEMQOCQNCKZYPE-HSQYWUDLSA-N 1 3 354.494 3.150 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(OCCN[C@@H](C)C[C@@H](C)[NH3+])c2)cc1 ZINC000422958252 500323973 /nfs/dbraw/zinc/32/39/73/500323973.db2.gz OUYXWEJDPGLOAS-CVEARBPZSA-N 1 3 371.481 3.042 20 0 FGADHO c1cc(COc2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc2)ccn1 ZINC000576584253 506192141 /nfs/dbraw/zinc/19/21/41/506192141.db2.gz KNVNAPWFDGYMPQ-NRFANRHFSA-N 1 3 351.494 3.482 20 0 FGADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1COc2ccccc21 ZINC000423004662 500329996 /nfs/dbraw/zinc/32/99/96/500329996.db2.gz POLLXESDAANQKA-FTFYGEEPSA-N 1 3 350.462 3.397 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423026246 500332610 /nfs/dbraw/zinc/33/26/10/500332610.db2.gz PWLAPDPVNADUFP-YHJVDBJQSA-N 1 3 372.900 3.125 20 0 FGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423026244 500332658 /nfs/dbraw/zinc/33/26/58/500332658.db2.gz PWLAPDPVNADUFP-GMVOTWDCSA-N 1 3 372.900 3.125 20 0 FGADHO Fc1ccc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028083 500333219 /nfs/dbraw/zinc/33/32/19/500333219.db2.gz FTHQDUFGRXIGLY-JXFKEZNVSA-N 1 3 362.395 3.492 20 0 FGADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)[C@H]3CCCCN3)nc12 ZINC000423038256 500333837 /nfs/dbraw/zinc/33/38/37/500333837.db2.gz ODMQMOLOUISWOD-XJKSGUPXSA-N 1 3 365.319 3.068 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102636 500342783 /nfs/dbraw/zinc/34/27/83/500342783.db2.gz KIRVIGRLWOKJEV-YPAWHYETSA-N 1 3 357.542 3.170 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000423106973 500343218 /nfs/dbraw/zinc/34/32/18/500343218.db2.gz KDEXJLWEAHGFOS-YOEHRIQHSA-N 1 3 366.347 3.232 20 0 FGADHO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000423106973 500343221 /nfs/dbraw/zinc/34/32/21/500343221.db2.gz KDEXJLWEAHGFOS-YOEHRIQHSA-N 1 3 366.347 3.232 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423127104 500345874 /nfs/dbraw/zinc/34/58/74/500345874.db2.gz SXXHSZYIYQWDHV-YPMHNXCESA-N 1 3 356.919 3.300 20 0 FGADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN(C2CCC(C[NH3+])CC2)CC1 ZINC000423156464 500348999 /nfs/dbraw/zinc/34/89/99/500348999.db2.gz LBADYTHDSSTUAN-UHFFFAOYSA-N 1 3 372.509 3.032 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423332529 500364566 /nfs/dbraw/zinc/36/45/66/500364566.db2.gz NNNHNDXUSUGCDU-NRFANRHFSA-N 1 3 357.542 3.373 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423363763 500367653 /nfs/dbraw/zinc/36/76/53/500367653.db2.gz VFKGGXKBOWGMPB-CYBMUJFWSA-N 1 3 373.884 3.459 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423363763 500367656 /nfs/dbraw/zinc/36/76/56/500367656.db2.gz VFKGGXKBOWGMPB-CYBMUJFWSA-N 1 3 373.884 3.459 20 0 FGADHO Cc1ccc([C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CCCC2)o1 ZINC000423374544 500368030 /nfs/dbraw/zinc/36/80/30/500368030.db2.gz CIFYVXSLJGJIEO-IAGOWNOFSA-N 1 3 359.436 3.245 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000423392420 500369741 /nfs/dbraw/zinc/36/97/41/500369741.db2.gz QLGGCNPQMUWOMT-FZMZJTMJSA-N 1 3 369.353 3.192 20 0 FGADHO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000423395814 500370657 /nfs/dbraw/zinc/37/06/57/500370657.db2.gz RYLPXOPCYIHOMM-UHFFFAOYSA-N 1 3 369.896 3.338 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423409059 500371797 /nfs/dbraw/zinc/37/17/97/500371797.db2.gz BHNLUVZRXNKTOU-WWMYMODYSA-N 1 3 351.494 3.347 20 0 FGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423445058 500375659 /nfs/dbraw/zinc/37/56/59/500375659.db2.gz BMCADORQHYDKJB-LSKLOWJMSA-N 1 3 370.324 3.291 20 0 FGADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529897 500382916 /nfs/dbraw/zinc/38/29/16/500382916.db2.gz QLEGZBUECROABV-MBAXHRRTSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000423741212 500398148 /nfs/dbraw/zinc/39/81/48/500398148.db2.gz HGHPSVJOUSRESU-PZJWPPBQSA-N 1 3 359.558 3.035 20 0 FGADHO C[C@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423750110 500398918 /nfs/dbraw/zinc/39/89/18/500398918.db2.gz SMBJAEGLUWCBMO-CYBMUJFWSA-N 1 3 358.313 3.013 20 0 FGADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423775036 500401010 /nfs/dbraw/zinc/40/10/10/500401010.db2.gz OKXIRNYWGYKYQR-QGPMSJSTSA-N 1 3 351.922 3.085 20 0 FGADHO C[C@@H](CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774692 500401046 /nfs/dbraw/zinc/40/10/46/500401046.db2.gz OIKOUKOXKZTCFP-KSSFIOAISA-N 1 3 351.922 3.085 20 0 FGADHO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](N)c1ccccc1 ZINC000423784520 500401598 /nfs/dbraw/zinc/40/15/98/500401598.db2.gz MLUOWDWGRNDPLX-HXUWFJFHSA-N 1 3 366.509 3.140 20 0 FGADHO O=C(NCCC[NH2+]C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000419913431 500405879 /nfs/dbraw/zinc/40/58/79/500405879.db2.gz YZDGFVRZGXSGJP-UHFFFAOYSA-N 1 3 357.542 3.327 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423839860 500410104 /nfs/dbraw/zinc/41/01/04/500410104.db2.gz DNGAERPANBDCKM-LSTHTHJFSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841898 500410497 /nfs/dbraw/zinc/41/04/97/500410497.db2.gz GKTYLVZRKLNNDP-UZLBHIALSA-N 1 3 358.530 3.021 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000431867496 500436279 /nfs/dbraw/zinc/43/62/79/500436279.db2.gz ZQQILZSOMCQVHR-SFTDATJTSA-N 1 3 374.573 3.448 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000431867490 500436291 /nfs/dbraw/zinc/43/62/91/500436291.db2.gz ZQQILZSOMCQVHR-LEWJYISDSA-N 1 3 374.573 3.448 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000420305322 500437722 /nfs/dbraw/zinc/43/77/22/500437722.db2.gz PLFMAMMNSXKLGC-GIVPXCGWSA-N 1 3 356.535 3.032 20 0 FGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000420305322 500437726 /nfs/dbraw/zinc/43/77/26/500437726.db2.gz PLFMAMMNSXKLGC-GIVPXCGWSA-N 1 3 356.535 3.032 20 0 FGADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000420305322 500437728 /nfs/dbraw/zinc/43/77/28/500437728.db2.gz PLFMAMMNSXKLGC-GIVPXCGWSA-N 1 3 356.535 3.032 20 0 FGADHO c1ccc(-n2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335975 500443736 /nfs/dbraw/zinc/44/37/36/500443736.db2.gz VHSSSAYPZGWFNZ-QZTJIDSGSA-N 1 3 350.510 3.183 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1 ZINC000420364565 500448607 /nfs/dbraw/zinc/44/86/07/500448607.db2.gz DABZXPWRWGLYDA-FQEVSTJZSA-N 1 3 365.521 3.265 20 0 FGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376274 500450111 /nfs/dbraw/zinc/45/01/11/500450111.db2.gz JUFUQFYBOUGSJM-BLLLJJGKSA-N 1 3 353.392 3.154 20 0 FGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420376274 500450114 /nfs/dbraw/zinc/45/01/14/500450114.db2.gz JUFUQFYBOUGSJM-BLLLJJGKSA-N 1 3 353.392 3.154 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390445 500454186 /nfs/dbraw/zinc/45/41/86/500454186.db2.gz NKEQZZSWKBVXQE-MAUKXSAKSA-N 1 3 372.431 3.303 20 0 FGADHO C[C@H]1CC2(CN1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301148 500483154 /nfs/dbraw/zinc/48/31/54/500483154.db2.gz XFHKTDYTDLVJTI-KRWDZBQOSA-N 1 3 350.510 3.325 20 0 FGADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428231483 500484782 /nfs/dbraw/zinc/48/47/82/500484782.db2.gz WFYSKYQVDHSCOI-QHAWAJNXSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231483 500484783 /nfs/dbraw/zinc/48/47/83/500484783.db2.gz WFYSKYQVDHSCOI-QHAWAJNXSA-N 1 3 357.542 3.183 20 0 FGADHO CCCNC(=O)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231483 500484785 /nfs/dbraw/zinc/48/47/85/500484785.db2.gz WFYSKYQVDHSCOI-QHAWAJNXSA-N 1 3 357.542 3.183 20 0 FGADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780810 500499313 /nfs/dbraw/zinc/49/93/13/500499313.db2.gz QMVQOXOPIRYVJL-NRFANRHFSA-N 1 3 372.557 3.298 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420786023 500501036 /nfs/dbraw/zinc/50/10/36/500501036.db2.gz BIZAADBBBSAWOX-OAQYLSRUSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792145 500502201 /nfs/dbraw/zinc/50/22/01/500502201.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792145 500502204 /nfs/dbraw/zinc/50/22/04/500502204.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697543 500545976 /nfs/dbraw/zinc/54/59/76/500545976.db2.gz AYRQCTSCIWTHRF-LJQANCHMSA-N 1 3 372.557 3.387 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3OC3CC3)CC2)CC1 ZINC000420980784 500546702 /nfs/dbraw/zinc/54/67/02/500546702.db2.gz LYNKPSNRILJWAW-UHFFFAOYSA-N 1 3 357.542 3.220 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)c(Cl)c3)CC2)CC1 ZINC000420985837 500548613 /nfs/dbraw/zinc/54/86/13/500548613.db2.gz WZDLPSQLEPVWTA-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000442244136 500575510 /nfs/dbraw/zinc/57/55/10/500575510.db2.gz SKQWENJRHRPFQO-CBNMVNINSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043611 500595590 /nfs/dbraw/zinc/59/55/90/500595590.db2.gz VNCCNOQAKMGTMC-FCHUYYIVSA-N 1 3 371.569 3.477 20 0 FGADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000437043611 500595593 /nfs/dbraw/zinc/59/55/93/500595593.db2.gz VNCCNOQAKMGTMC-FCHUYYIVSA-N 1 3 371.569 3.477 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000442610644 500604469 /nfs/dbraw/zinc/60/44/69/500604469.db2.gz PYMXYNNXZIDFRT-UHFFFAOYSA-N 1 3 364.578 3.016 20 0 FGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783604 500625661 /nfs/dbraw/zinc/62/56/61/500625661.db2.gz QFOSKTVCFZUPQG-GUXCAODWSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783604 500625664 /nfs/dbraw/zinc/62/56/64/500625664.db2.gz QFOSKTVCFZUPQG-GUXCAODWSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783604 500625666 /nfs/dbraw/zinc/62/56/66/500625666.db2.gz QFOSKTVCFZUPQG-GUXCAODWSA-N 1 3 357.523 3.013 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868083 500637392 /nfs/dbraw/zinc/63/73/92/500637392.db2.gz BNEHZFKWAVVBOT-NRFANRHFSA-N 1 3 371.569 3.395 20 0 FGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433298783 500665445 /nfs/dbraw/zinc/66/54/45/500665445.db2.gz ALLFHHBDGPNADM-NRFANRHFSA-N 1 3 371.500 3.409 20 0 FGADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061679 500671247 /nfs/dbraw/zinc/67/12/47/500671247.db2.gz SDKHHXHOHCYTBD-IIBYNOLFSA-N 1 3 361.505 3.234 20 0 FGADHO C[C@H]1C[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000573565498 506212746 /nfs/dbraw/zinc/21/27/46/506212746.db2.gz MUICIEUYTGJPBG-WMZOPIPTSA-N 1 3 363.933 3.153 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CCCCOc3ccccc3)CC2)CC1 ZINC000438099968 500737411 /nfs/dbraw/zinc/73/74/11/500737411.db2.gz YTIUNNUMZOEODP-UHFFFAOYSA-N 1 3 359.558 3.336 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448247282 500738259 /nfs/dbraw/zinc/73/82/59/500738259.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 1 3 366.594 3.260 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448247282 500738261 /nfs/dbraw/zinc/73/82/61/500738261.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 1 3 366.594 3.260 20 0 FGADHO C[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000434178527 500807090 /nfs/dbraw/zinc/80/70/90/500807090.db2.gz WSKAJULCVQZAQF-LJQANCHMSA-N 1 3 373.541 3.389 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCN(CCN(C)C)CC1 ZINC000438835113 500824314 /nfs/dbraw/zinc/82/43/14/500824314.db2.gz KCIZMYBCCNWNQK-NRFANRHFSA-N 1 3 354.542 3.469 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829989 500824554 /nfs/dbraw/zinc/82/45/54/500824554.db2.gz SWJBPNSIPRXERV-JWUVWSEFSA-N 1 3 360.542 3.053 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829989 500824557 /nfs/dbraw/zinc/82/45/57/500824557.db2.gz SWJBPNSIPRXERV-JWUVWSEFSA-N 1 3 360.542 3.053 20 0 FGADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690998 500880101 /nfs/dbraw/zinc/88/01/01/500880101.db2.gz MIPMIQSJTYHMGP-DHSIGJKJSA-N 1 3 371.447 3.332 20 0 FGADHO C[C@@H](CN1CCC(CCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449024895 500902053 /nfs/dbraw/zinc/90/20/53/500902053.db2.gz ACOBRTJXWQDGKI-KRWDZBQOSA-N 1 3 366.571 3.247 20 0 FGADHO C[C@H](CNCCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061315 500914672 /nfs/dbraw/zinc/91/46/72/500914672.db2.gz IFEFLFKMXFEERJ-QGZVFWFLSA-N 1 3 366.571 3.438 20 0 FGADHO C[C@H](CNCCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061315 500914673 /nfs/dbraw/zinc/91/46/73/500914673.db2.gz IFEFLFKMXFEERJ-QGZVFWFLSA-N 1 3 366.571 3.438 20 0 FGADHO CC(C)[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449070438 500917314 /nfs/dbraw/zinc/91/73/14/500917314.db2.gz KFCMFEOYUKDDBR-NZQKXSOJSA-N 1 3 373.585 3.028 20 0 FGADHO CSCC1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000449107913 500927472 /nfs/dbraw/zinc/92/74/72/500927472.db2.gz OZNWMYIYZICYNM-UHFFFAOYSA-N 1 3 362.587 3.105 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449220383 500951282 /nfs/dbraw/zinc/95/12/82/500951282.db2.gz PUCJOWFTWKUCKT-HNNXBMFYSA-N 1 3 374.356 3.378 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4C[C@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375407 500962570 /nfs/dbraw/zinc/96/25/70/500962570.db2.gz UXIRBTGNXWXYOW-HKUYNNGSSA-N 1 3 364.493 3.391 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376740 500962892 /nfs/dbraw/zinc/96/28/92/500962892.db2.gz UJFLWPHYUQKOTA-KKUMJFAQSA-N 1 3 358.404 3.196 20 0 FGADHO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376742 500962984 /nfs/dbraw/zinc/96/29/84/500962984.db2.gz UJFLWPHYUQKOTA-SOUVJXGZSA-N 1 3 358.404 3.196 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435380478 500963550 /nfs/dbraw/zinc/96/35/50/500963550.db2.gz NZVHMNUDRCIDMI-FNHZYXHNSA-N 1 3 360.452 3.327 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449364939 500987579 /nfs/dbraw/zinc/98/75/79/500987579.db2.gz UKZNWJHZADQPKM-YHYVQYDKSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364939 500987581 /nfs/dbraw/zinc/98/75/81/500987581.db2.gz UKZNWJHZADQPKM-YHYVQYDKSA-N 1 3 356.485 3.372 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000449486445 501015020 /nfs/dbraw/zinc/01/50/20/501015020.db2.gz SHXLWVOEAPUOTO-MSOLQXFVSA-N 1 3 362.514 3.252 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000449486445 501015025 /nfs/dbraw/zinc/01/50/25/501015025.db2.gz SHXLWVOEAPUOTO-MSOLQXFVSA-N 1 3 362.514 3.252 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449503960 501019433 /nfs/dbraw/zinc/01/94/33/501019433.db2.gz IOSCKZJGCLXOJQ-GGAORHGYSA-N 1 3 371.569 3.105 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CCN(C)CC1 ZINC000449557565 501033065 /nfs/dbraw/zinc/03/30/65/501033065.db2.gz UZNZMRBFURXMHP-KNKQGSTJSA-N 1 3 371.569 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CCN(C)CC1 ZINC000449557565 501033068 /nfs/dbraw/zinc/03/30/68/501033068.db2.gz UZNZMRBFURXMHP-KNKQGSTJSA-N 1 3 371.569 3.200 20 0 FGADHO COC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000449781712 501086026 /nfs/dbraw/zinc/08/60/26/501086026.db2.gz XQWVAYZAEUBMBE-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO COC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000449781712 501086029 /nfs/dbraw/zinc/08/60/29/501086029.db2.gz XQWVAYZAEUBMBE-IBGZPJMESA-N 1 3 359.558 3.466 20 0 FGADHO CN(Cc1cc(C[N@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389909 501109007 /nfs/dbraw/zinc/10/90/07/501109007.db2.gz KVLXDTYHCKINFC-ROUUACIJSA-N 1 3 372.431 3.147 20 0 FGADHO CN(Cc1cc(C[N@@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389909 501109011 /nfs/dbraw/zinc/10/90/11/501109011.db2.gz KVLXDTYHCKINFC-ROUUACIJSA-N 1 3 372.431 3.147 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000446744686 501160323 /nfs/dbraw/zinc/16/03/23/501160323.db2.gz KFPURUJPKSSHAC-GHTZIAJQSA-N 1 3 371.529 3.130 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCN1C ZINC000607722327 506239589 /nfs/dbraw/zinc/23/95/89/506239589.db2.gz YMGCJFKVGVDION-YLJYHZDGSA-N 1 3 358.530 3.319 20 0 FGADHO CN(CC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)Cc1ccccc1 ZINC000450791556 501209788 /nfs/dbraw/zinc/20/97/88/501209788.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 1 3 352.526 3.138 20 0 FGADHO CN(CC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)Cc1ccccc1 ZINC000450791556 501209789 /nfs/dbraw/zinc/20/97/89/501209789.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 1 3 352.526 3.138 20 0 FGADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453077058 501264048 /nfs/dbraw/zinc/26/40/48/501264048.db2.gz VYYQYZNLCGTBRO-ZLNRFVROSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCCC[C@H]1C ZINC000457705951 501291867 /nfs/dbraw/zinc/29/18/67/501291867.db2.gz LNQGSCNFKDQEON-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCCC[C@H]1C ZINC000457705951 501291870 /nfs/dbraw/zinc/29/18/70/501291870.db2.gz LNQGSCNFKDQEON-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO COCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453213269 501292678 /nfs/dbraw/zinc/29/26/78/501292678.db2.gz MHXMGFDNGYZNST-YPAWHYETSA-N 1 3 368.525 3.062 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000451464233 501298523 /nfs/dbraw/zinc/29/85/23/501298523.db2.gz YMIDOLTUOPHBRP-OAQYLSRUSA-N 1 3 369.553 3.388 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451498073 501306821 /nfs/dbraw/zinc/30/68/21/501306821.db2.gz NDQBCUMGQBINRQ-FGZHOGPDSA-N 1 3 373.585 3.376 20 0 FGADHO COC(=O)c1ccc(CNCCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000453598734 501357833 /nfs/dbraw/zinc/35/78/33/501357833.db2.gz QECOPPOGDWRZHI-UHFFFAOYSA-N 1 3 369.303 3.200 20 0 FGADHO COC(=O)c1ccc(CNCCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000453598734 501357835 /nfs/dbraw/zinc/35/78/35/501357835.db2.gz QECOPPOGDWRZHI-UHFFFAOYSA-N 1 3 369.303 3.200 20 0 FGADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCN3CCCC(C)(C)C3)ccc21 ZINC000455854638 501400876 /nfs/dbraw/zinc/40/08/76/501400876.db2.gz NGLGKLHDWCCQQG-IBGZPJMESA-N 1 3 358.530 3.479 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000452160164 501448315 /nfs/dbraw/zinc/44/83/15/501448315.db2.gz BWYPDTBKHUIVTR-IEBWSBKVSA-N 1 3 363.571 3.392 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000452160164 501448316 /nfs/dbraw/zinc/44/83/16/501448316.db2.gz BWYPDTBKHUIVTR-IEBWSBKVSA-N 1 3 363.571 3.392 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451337 /nfs/dbraw/zinc/45/13/37/501451337.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 1 3 355.526 3.227 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451338 /nfs/dbraw/zinc/45/13/38/501451338.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 1 3 355.526 3.227 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000454460011 501550271 /nfs/dbraw/zinc/55/02/71/501550271.db2.gz RAHUSYVSCXTRSR-QGZVFWFLSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000458946962 501564286 /nfs/dbraw/zinc/56/42/86/501564286.db2.gz ZXRFDEBTLKFXBU-IBGZPJMESA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273303 501623383 /nfs/dbraw/zinc/62/33/83/501623383.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000459273303 501623384 /nfs/dbraw/zinc/62/33/84/501623384.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)c2)CC1 ZINC000455061958 501680887 /nfs/dbraw/zinc/68/08/87/501680887.db2.gz QAXVZQJTGIVOSC-PZJWPPBQSA-N 1 3 370.541 3.129 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173302 501729463 /nfs/dbraw/zinc/72/94/63/501729463.db2.gz GAQPSSNATFZPNY-GJHJYOIJSA-N 1 3 370.541 3.138 20 0 FGADHO COCC[NH+]1CCC(Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)CC1 ZINC000477868100 501814298 /nfs/dbraw/zinc/81/42/98/501814298.db2.gz UWRRZBLUTDOVKV-UHFFFAOYSA-N 1 3 374.573 3.048 20 0 FGADHO CN1CCO[C@@H]([C@H](NCC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630741 501836931 /nfs/dbraw/zinc/83/69/31/501836931.db2.gz SADHHAAWJXNZTC-RTBURBONSA-N 1 3 365.949 3.033 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@H+](CCc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000471012243 501890957 /nfs/dbraw/zinc/89/09/57/501890957.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 1 3 364.489 3.064 20 0 FGADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000471012243 501890964 /nfs/dbraw/zinc/89/09/64/501890964.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 1 3 364.489 3.064 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000468089341 501953244 /nfs/dbraw/zinc/95/32/44/501953244.db2.gz VOWWTYIVGOVGIU-IBGZPJMESA-N 1 3 363.571 3.383 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1OC ZINC000482126365 501982156 /nfs/dbraw/zinc/98/21/56/501982156.db2.gz XEYCMLBSURBHIJ-OAQYLSRUSA-N 1 3 368.525 3.343 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000485910712 501985291 /nfs/dbraw/zinc/98/52/91/501985291.db2.gz XRQWYCGKNDKLIK-BDTNDASRSA-N 1 3 369.553 3.245 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000486027833 502024077 /nfs/dbraw/zinc/02/40/77/502024077.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 1 3 357.542 3.087 20 0 FGADHO CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000486027833 502024083 /nfs/dbraw/zinc/02/40/83/502024083.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000475020606 502024152 /nfs/dbraw/zinc/02/41/52/502024152.db2.gz YTLKFDQJZZKLLR-FQEVSTJZSA-N 1 3 360.546 3.021 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccccc1CN(C)C ZINC000486092225 502044499 /nfs/dbraw/zinc/04/44/99/502044499.db2.gz JHONEHBLKUSSIE-UHFFFAOYSA-N 1 3 353.510 3.472 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000468428020 502056902 /nfs/dbraw/zinc/05/69/02/502056902.db2.gz QCJXAJYEDGXHDT-FQEVSTJZSA-N 1 3 360.546 3.197 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475109864 502062270 /nfs/dbraw/zinc/06/22/70/502062270.db2.gz NADCSXBWERSCNJ-OAQYLSRUSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475109863 502062519 /nfs/dbraw/zinc/06/25/19/502062519.db2.gz NADCSXBWERSCNJ-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475137121 502075671 /nfs/dbraw/zinc/07/56/71/502075671.db2.gz JTANWJWATUOMAC-NRFANRHFSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525293 502092010 /nfs/dbraw/zinc/09/20/10/502092010.db2.gz VDBDZNWYGAEITN-OPYAIIAOSA-N 1 3 357.542 3.058 20 0 FGADHO CC(C)[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525293 502092016 /nfs/dbraw/zinc/09/20/16/502092016.db2.gz VDBDZNWYGAEITN-OPYAIIAOSA-N 1 3 357.542 3.058 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568550 502113616 /nfs/dbraw/zinc/11/36/16/502113616.db2.gz HFUURTMIQGOGEP-YJBOKZPZSA-N 1 3 371.550 3.456 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568550 502113620 /nfs/dbraw/zinc/11/36/20/502113620.db2.gz HFUURTMIQGOGEP-YJBOKZPZSA-N 1 3 371.550 3.456 20 0 FGADHO CO[C@H](CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)C(F)(F)F ZINC000468613021 502125149 /nfs/dbraw/zinc/12/51/49/502125149.db2.gz QVLVEHWDLOPATO-GOSISDBHSA-N 1 3 373.463 3.274 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000464965039 502159224 /nfs/dbraw/zinc/15/92/24/502159224.db2.gz UASIDNWLZHKWMN-SIKLNZKXSA-N 1 3 371.569 3.272 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479395518 502245830 /nfs/dbraw/zinc/24/58/30/502245830.db2.gz UTIFXVWPRKQQLX-XSYGEPLQSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395518 502245833 /nfs/dbraw/zinc/24/58/33/502245833.db2.gz UTIFXVWPRKQQLX-XSYGEPLQSA-N 1 3 360.546 3.097 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000461946413 502247380 /nfs/dbraw/zinc/24/73/80/502247380.db2.gz GSGLERPFHKTQBF-VQTJNVASSA-N 1 3 360.546 3.195 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000461968059 502257297 /nfs/dbraw/zinc/25/72/97/502257297.db2.gz GUXJUANQWQIMSB-UHFFFAOYSA-N 1 3 369.619 3.176 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435654 502262162 /nfs/dbraw/zinc/26/21/62/502262162.db2.gz BPUOMAHUPFSBMW-CTNGQTDRSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435654 502262168 /nfs/dbraw/zinc/26/21/68/502262168.db2.gz BPUOMAHUPFSBMW-CTNGQTDRSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2NC2CCN(C)CC2)CC1 ZINC000461999437 502267535 /nfs/dbraw/zinc/26/75/35/502267535.db2.gz GKUAKEYDMJIPJH-UHFFFAOYSA-N 1 3 358.530 3.252 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000483098445 502271012 /nfs/dbraw/zinc/27/10/12/502271012.db2.gz CUCGIPSGUVVQAU-HXUWFJFHSA-N 1 3 357.542 3.409 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465530086 502290983 /nfs/dbraw/zinc/29/09/83/502290983.db2.gz YREIYOVEWTWINP-RBUKOAKNSA-N 1 3 360.546 3.023 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000462140184 502321430 /nfs/dbraw/zinc/32/14/30/502321430.db2.gz LNAJUYRURKZBEP-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620082 502327589 /nfs/dbraw/zinc/32/75/89/502327589.db2.gz UNBZDUHOTRFQHG-SFTDATJTSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620082 502327593 /nfs/dbraw/zinc/32/75/93/502327593.db2.gz UNBZDUHOTRFQHG-SFTDATJTSA-N 1 3 374.573 3.441 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773091 502379769 /nfs/dbraw/zinc/37/97/69/502379769.db2.gz DGSKALFQODOSMN-OAQYLSRUSA-N 1 3 372.557 3.346 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822360 502396301 /nfs/dbraw/zinc/39/63/01/502396301.db2.gz VZOOWROLOMBKJP-LEWJYISDSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822360 502396304 /nfs/dbraw/zinc/39/63/04/502396304.db2.gz VZOOWROLOMBKJP-LEWJYISDSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822362 502396374 /nfs/dbraw/zinc/39/63/74/502396374.db2.gz VZOOWROLOMBKJP-RTWAWAEBSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)N(C)C)cc1 ZINC000465822362 502396377 /nfs/dbraw/zinc/39/63/77/502396377.db2.gz VZOOWROLOMBKJP-RTWAWAEBSA-N 1 3 372.557 3.161 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988479 502447487 /nfs/dbraw/zinc/44/74/87/502447487.db2.gz WCJFTPBNNZXXRQ-QZTJIDSGSA-N 1 3 354.583 3.259 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988479 502447492 /nfs/dbraw/zinc/44/74/92/502447492.db2.gz WCJFTPBNNZXXRQ-QZTJIDSGSA-N 1 3 354.583 3.259 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000483630167 502447777 /nfs/dbraw/zinc/44/77/77/502447777.db2.gz XBWYQKITRCMJLC-CTNGQTDRSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000466018557 502456273 /nfs/dbraw/zinc/45/62/73/502456273.db2.gz OQXJAYIPTXZJGU-WIYYLYMNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760760 502534646 /nfs/dbraw/zinc/53/46/46/502534646.db2.gz NAQNTBUIADBLOL-QZTJIDSGSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396947 502557793 /nfs/dbraw/zinc/55/77/93/502557793.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466396947 502557796 /nfs/dbraw/zinc/55/77/96/502557796.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 1 3 372.557 3.213 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462785227 502571122 /nfs/dbraw/zinc/57/11/22/502571122.db2.gz KPZOGEUIMKWSFT-XPWALMASSA-N 1 3 371.569 3.119 20 0 FGADHO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)cs2)cs1 ZINC000484143534 502581977 /nfs/dbraw/zinc/58/19/77/502581977.db2.gz UFFZQQMVXYGQOZ-LBPRGKRZSA-N 1 3 351.541 3.287 20 0 FGADHO CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N(CC)CC ZINC000469902334 502591485 /nfs/dbraw/zinc/59/14/85/502591485.db2.gz QBVSDYDWYZENFD-MRXNPFEDSA-N 1 3 355.910 3.339 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990233 502620148 /nfs/dbraw/zinc/62/01/48/502620148.db2.gz IGWCQNUVOHKMIT-IMKFEJLOSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990233 502620158 /nfs/dbraw/zinc/62/01/58/502620158.db2.gz IGWCQNUVOHKMIT-IMKFEJLOSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000484433060 502642885 /nfs/dbraw/zinc/64/28/85/502642885.db2.gz AHQUNCVRDNCIEK-FXAWDEMLSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)CN1CCCCC1 ZINC000480705242 502648087 /nfs/dbraw/zinc/64/80/87/502648087.db2.gz QJKJDZVQIBDNOG-RZUBCFFCSA-N 1 3 359.558 3.160 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739350 502657989 /nfs/dbraw/zinc/65/79/89/502657989.db2.gz MSVKXSJVVKABFK-FPOVZHCZSA-N 1 3 374.573 3.299 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211528 502659592 /nfs/dbraw/zinc/65/95/92/502659592.db2.gz ANKJHTLUMFPYNI-QUCCMNQESA-N 1 3 366.594 3.259 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000480905182 502701858 /nfs/dbraw/zinc/70/18/58/502701858.db2.gz GZMWSGMVLCGEMU-GOSISDBHSA-N 1 3 369.509 3.016 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420491 502710338 /nfs/dbraw/zinc/71/03/38/502710338.db2.gz WIJNITZAIGQTRB-UXHICEINSA-N 1 3 361.599 3.444 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000466914885 502723827 /nfs/dbraw/zinc/72/38/27/502723827.db2.gz BWLOOTFQRRYBLT-BGYRXZFFSA-N 1 3 357.542 3.292 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000466914885 502723831 /nfs/dbraw/zinc/72/38/31/502723831.db2.gz BWLOOTFQRRYBLT-BGYRXZFFSA-N 1 3 357.542 3.292 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466922236 502727589 /nfs/dbraw/zinc/72/75/89/502727589.db2.gz VTROXXRYGZDGEI-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)N(C)CCN(C)C2CC2)CCCC1)c1ccccc1 ZINC000473917225 502748845 /nfs/dbraw/zinc/74/88/45/502748845.db2.gz DKHMQBPMLNLSGD-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470369916 502753077 /nfs/dbraw/zinc/75/30/77/502753077.db2.gz RTRMAGNJPGPUNY-KRWDZBQOSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)CNC4)cc2)C1 ZINC000470369916 502753083 /nfs/dbraw/zinc/75/30/83/502753083.db2.gz RTRMAGNJPGPUNY-KRWDZBQOSA-N 1 3 363.505 3.452 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCC(F)(F)CC1 ZINC000474025814 502782652 /nfs/dbraw/zinc/78/26/52/502782652.db2.gz XHDIAQWSZFTZJX-QGZVFWFLSA-N 1 3 366.500 3.397 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000470464179 502784720 /nfs/dbraw/zinc/78/47/20/502784720.db2.gz GEFCNHKYAQKOAO-YPGOJHLTSA-N 1 3 363.505 3.176 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000470464179 502784722 /nfs/dbraw/zinc/78/47/22/502784722.db2.gz GEFCNHKYAQKOAO-YPGOJHLTSA-N 1 3 363.505 3.176 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)(N2CCCCC2)CC1 ZINC000474049754 502789684 /nfs/dbraw/zinc/78/96/84/502789684.db2.gz CAPNSXHJTGOWMK-NJDAHSKKSA-N 1 3 363.590 3.122 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154931 502834712 /nfs/dbraw/zinc/83/47/12/502834712.db2.gz PEHXNPUWTOLXPS-GDBMZVCRSA-N 1 3 370.440 3.235 20 0 FGADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000513261780 502891256 /nfs/dbraw/zinc/89/12/56/502891256.db2.gz PENBSNFHPVMXID-BDTNDASRSA-N 1 3 365.521 3.331 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163489 502951727 /nfs/dbraw/zinc/95/17/27/502951727.db2.gz MQBHUCXACLUQIA-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163489 502951729 /nfs/dbraw/zinc/95/17/29/502951729.db2.gz MQBHUCXACLUQIA-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CN(C)[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362788 502992990 /nfs/dbraw/zinc/99/29/90/502992990.db2.gz PSRPTZLNLWTXLM-UXHICEINSA-N 1 3 360.546 3.099 20 0 FGADHO CN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713834 503007447 /nfs/dbraw/zinc/00/74/47/503007447.db2.gz UQWDBYJZEPUOGU-RJGXRXQPSA-N 1 3 370.585 3.051 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760205 503018033 /nfs/dbraw/zinc/01/80/33/503018033.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760205 503018034 /nfs/dbraw/zinc/01/80/34/503018034.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760205 503018036 /nfs/dbraw/zinc/01/80/36/503018036.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 1 3 357.542 3.295 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)N1CCCC[C@@H]1C ZINC000501532204 503031144 /nfs/dbraw/zinc/03/11/44/503031144.db2.gz NARIMQZTUNZJPA-ROUUACIJSA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCCC[C@@H]1C ZINC000501532204 503031146 /nfs/dbraw/zinc/03/11/46/503031146.db2.gz NARIMQZTUNZJPA-ROUUACIJSA-N 1 3 352.567 3.203 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489811554 503041125 /nfs/dbraw/zinc/04/11/25/503041125.db2.gz QFINFXBVSAVWCZ-RTWAWAEBSA-N 1 3 374.573 3.065 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045577 /nfs/dbraw/zinc/04/55/77/503045577.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045579 /nfs/dbraw/zinc/04/55/79/503045579.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(C)C ZINC000497835708 503051771 /nfs/dbraw/zinc/05/17/71/503051771.db2.gz KEEDKSPZOZTHNG-UEXGIBASSA-N 1 3 372.557 3.302 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N(C)C ZINC000497835708 503051775 /nfs/dbraw/zinc/05/17/75/503051775.db2.gz KEEDKSPZOZTHNG-UEXGIBASSA-N 1 3 372.557 3.302 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000514015394 503068866 /nfs/dbraw/zinc/06/88/66/503068866.db2.gz KFNYEKJTWCLFKP-NRFANRHFSA-N 1 3 372.557 3.307 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965937 503075860 /nfs/dbraw/zinc/07/58/60/503075860.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965937 503075864 /nfs/dbraw/zinc/07/58/64/503075864.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 1 3 357.542 3.275 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501846880 503093037 /nfs/dbraw/zinc/09/30/37/503093037.db2.gz AZHPHKYHROTULX-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501846880 503093041 /nfs/dbraw/zinc/09/30/41/503093041.db2.gz AZHPHKYHROTULX-PZJWPPBQSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000514127775 503094539 /nfs/dbraw/zinc/09/45/39/503094539.db2.gz YYUMTGOLWPVVFH-WOJBJXKFSA-N 1 3 374.573 3.176 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000501937404 503111561 /nfs/dbraw/zinc/11/15/61/503111561.db2.gz ICDJEOOCLDAGFK-CMKODMSKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](c1ccccc1)N(C)C ZINC000501955583 503115837 /nfs/dbraw/zinc/11/58/37/503115837.db2.gz JIBLPFODSNIMQQ-IEBWSBKVSA-N 1 3 360.546 3.099 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000514453302 503129607 /nfs/dbraw/zinc/12/96/07/503129607.db2.gz HRCYRSIPMVRPTD-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000510521247 503131926 /nfs/dbraw/zinc/13/19/26/503131926.db2.gz IAVFAIXFRLRBFZ-LAUBAEHRSA-N 1 3 353.510 3.478 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnnn2Cc2ccccc2)C1 ZINC000490553493 503194792 /nfs/dbraw/zinc/19/47/92/503194792.db2.gz BHUZMLAHBDAYFQ-KDURUIRLSA-N 1 3 355.530 3.174 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnnn2Cc2ccccc2)C1 ZINC000490553493 503194794 /nfs/dbraw/zinc/19/47/94/503194794.db2.gz BHUZMLAHBDAYFQ-KDURUIRLSA-N 1 3 355.530 3.174 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000490812346 503230988 /nfs/dbraw/zinc/23/09/88/503230988.db2.gz KLGOPGBVWCXYEW-QKNQBKEWSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000490812346 503230994 /nfs/dbraw/zinc/23/09/94/503230994.db2.gz KLGOPGBVWCXYEW-QKNQBKEWSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490971303 503254106 /nfs/dbraw/zinc/25/41/06/503254106.db2.gz WBCPGKMGLQQUGG-PZJWPPBQSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490971303 503254110 /nfs/dbraw/zinc/25/41/10/503254110.db2.gz WBCPGKMGLQQUGG-PZJWPPBQSA-N 1 3 359.558 3.179 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899927 503303236 /nfs/dbraw/zinc/30/32/36/503303236.db2.gz QESVJINPIRAVCA-CGTJXYLNSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899927 503303237 /nfs/dbraw/zinc/30/32/37/503303237.db2.gz QESVJINPIRAVCA-CGTJXYLNSA-N 1 3 362.518 3.025 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)NCCN2CCCCC2)CCCC1)c1ccccc1 ZINC000502910168 503305388 /nfs/dbraw/zinc/30/53/88/503305388.db2.gz AQZVVMHSNNTDCH-IBGZPJMESA-N 1 3 372.557 3.435 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C ZINC000499312227 503377579 /nfs/dbraw/zinc/37/75/79/503377579.db2.gz KFMSICABEJWWRG-AOIWGVFYSA-N 1 3 362.562 3.262 20 0 FGADHO CCN(Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000511782931 503386353 /nfs/dbraw/zinc/38/63/53/503386353.db2.gz AVLOMZSSKJAMDM-UHFFFAOYSA-N 1 3 355.526 3.275 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000503316528 503388783 /nfs/dbraw/zinc/38/87/83/503388783.db2.gz MARVQQNFOQGCBV-FQEVSTJZSA-N 1 3 372.557 3.411 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000503316528 503388786 /nfs/dbraw/zinc/38/87/86/503388786.db2.gz MARVQQNFOQGCBV-FQEVSTJZSA-N 1 3 372.557 3.411 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000503423260 503406681 /nfs/dbraw/zinc/40/66/81/503406681.db2.gz SETKEYZUSFJVOB-IBGZPJMESA-N 1 3 361.505 3.030 20 0 FGADHO CN(C)CCOc1cc(C[NH2+]CCc2ccc(F)cc2Cl)ccn1 ZINC000515930047 503421628 /nfs/dbraw/zinc/42/16/28/503421628.db2.gz VWJCSVPGGHWNPK-UHFFFAOYSA-N 1 3 351.853 3.147 20 0 FGADHO C[C@@](O)(CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601399 503441126 /nfs/dbraw/zinc/44/11/26/503441126.db2.gz XOLXHGLDAVRYPE-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@@](O)(CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601399 503441132 /nfs/dbraw/zinc/44/11/32/503441132.db2.gz XOLXHGLDAVRYPE-QGZVFWFLSA-N 1 3 356.432 3.288 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000516562181 503537532 /nfs/dbraw/zinc/53/75/32/503537532.db2.gz DCVVQSCPJKSAEY-BJWHIEROSA-N 1 3 368.569 3.035 20 0 FGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562181 503537535 /nfs/dbraw/zinc/53/75/35/503537535.db2.gz DCVVQSCPJKSAEY-BJWHIEROSA-N 1 3 368.569 3.035 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cccc(C)c4C3)CC2)CC1 ZINC000516582587 503542723 /nfs/dbraw/zinc/54/27/23/503542723.db2.gz RYFQYGIXHJLUDP-UHFFFAOYSA-N 1 3 369.553 3.076 20 0 FGADHO C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508714570 503549795 /nfs/dbraw/zinc/54/97/95/503549795.db2.gz BVNDZOYLWNRDRP-HKUYNNGSSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@H](NCCOc1ccc2c(c1)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714570 503549799 /nfs/dbraw/zinc/54/97/99/503549799.db2.gz BVNDZOYLWNRDRP-HKUYNNGSSA-N 1 3 368.477 3.294 20 0 FGADHO C[C@H](NCCOc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714570 503549802 /nfs/dbraw/zinc/54/98/02/503549802.db2.gz BVNDZOYLWNRDRP-HKUYNNGSSA-N 1 3 368.477 3.294 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000516633062 503555800 /nfs/dbraw/zinc/55/58/00/503555800.db2.gz XEQZIAPJXOVREJ-KSSFIOAISA-N 1 3 356.470 3.176 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508845832 503575857 /nfs/dbraw/zinc/57/58/57/503575857.db2.gz KVOWCAVPSNNDPS-AZUAARDMSA-N 1 3 362.562 3.360 20 0 FGADHO CSc1ccc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000500244780 503586629 /nfs/dbraw/zinc/58/66/29/503586629.db2.gz JRFMHUDJVKNKQQ-OXJNMPFZSA-N 1 3 371.550 3.478 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1CC[NH+](C)CC1)N(C)C ZINC000494699079 503594621 /nfs/dbraw/zinc/59/46/21/503594621.db2.gz YVYQEIFSKNCKGI-PXNSSMCTSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000508903124 503595708 /nfs/dbraw/zinc/59/57/08/503595708.db2.gz FHMKEGSXVSPATK-DFQSSKMNSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000508903124 503595713 /nfs/dbraw/zinc/59/57/13/503595713.db2.gz FHMKEGSXVSPATK-DFQSSKMNSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@@H]1C ZINC000512667499 503607830 /nfs/dbraw/zinc/60/78/30/503607830.db2.gz PWMRXRLTWFYKRZ-OPYAIIAOSA-N 1 3 357.542 3.427 20 0 FGADHO CCC[N@H+](C)[C@@H](CNC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627148 /nfs/dbraw/zinc/62/71/48/503627148.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 1 3 366.937 3.070 20 0 FGADHO CCC[N@@H+](C)[C@@H](CNC(=O)N1CCCN(C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627153 /nfs/dbraw/zinc/62/71/53/503627153.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 1 3 366.937 3.070 20 0 FGADHO COc1ccc(Br)cc1CNCC1(SC)CC[NH+](C)CC1 ZINC000517061059 503651823 /nfs/dbraw/zinc/65/18/23/503651823.db2.gz VKACOLPWONZAOC-UHFFFAOYSA-N 1 3 373.360 3.375 20 0 FGADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC(C)C ZINC000536675042 503672297 /nfs/dbraw/zinc/67/22/97/503672297.db2.gz JYHVCGZFRRAMQU-UHFFFAOYSA-N 1 3 350.503 3.025 20 0 FGADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000546224881 503677366 /nfs/dbraw/zinc/67/73/66/503677366.db2.gz SFMUGXLFCSEVLO-TZIWHRDSSA-N 1 3 359.558 3.160 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154349 503691347 /nfs/dbraw/zinc/69/13/47/503691347.db2.gz RDPLHFSFNXVMQL-IAGOWNOFSA-N 1 3 365.587 3.291 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154349 503691353 /nfs/dbraw/zinc/69/13/53/503691353.db2.gz RDPLHFSFNXVMQL-IAGOWNOFSA-N 1 3 365.587 3.291 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154347 503692106 /nfs/dbraw/zinc/69/21/06/503692106.db2.gz RDPLHFSFNXVMQL-DLBZAZTESA-N 1 3 365.587 3.291 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154347 503692110 /nfs/dbraw/zinc/69/21/10/503692110.db2.gz RDPLHFSFNXVMQL-DLBZAZTESA-N 1 3 365.587 3.291 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c(OC)cc3C)CC2)CC1 ZINC000517391256 503733040 /nfs/dbraw/zinc/73/30/40/503733040.db2.gz JYHNWCDEZVRGQZ-UHFFFAOYSA-N 1 3 373.541 3.447 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865569 503743450 /nfs/dbraw/zinc/74/34/50/503743450.db2.gz YPRFCVRCBVBDBJ-OTWHNJEPSA-N 1 3 356.514 3.412 20 0 FGADHO Clc1ccc(-c2noc(CC[NH2+]C3CCN(CC4CC4)CC3)n2)cc1 ZINC000537057628 503790417 /nfs/dbraw/zinc/79/04/17/503790417.db2.gz KVWAECIOLQJMJA-UHFFFAOYSA-N 1 3 360.889 3.397 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000540505039 503797676 /nfs/dbraw/zinc/79/76/76/503797676.db2.gz ONDQVOOICFZDRX-UHFFFAOYSA-N 1 3 350.551 3.040 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000530026421 503800105 /nfs/dbraw/zinc/80/01/05/503800105.db2.gz UCLXBPQHIYHDGJ-FQEVSTJZSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693358 503808592 /nfs/dbraw/zinc/80/85/92/503808592.db2.gz PNNRHVCIOIFCHN-PGRDOPGGSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693358 503808598 /nfs/dbraw/zinc/80/85/98/503808598.db2.gz PNNRHVCIOIFCHN-PGRDOPGGSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000543639319 503837599 /nfs/dbraw/zinc/83/75/99/503837599.db2.gz DAZWXDFXMVXVQX-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@@H](C)O1 ZINC000537204300 503841454 /nfs/dbraw/zinc/84/14/54/503841454.db2.gz ISHDDWJJVRCZDO-QZTJIDSGSA-N 1 3 370.541 3.285 20 0 FGADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889395 503859745 /nfs/dbraw/zinc/85/97/45/503859745.db2.gz KZGQTCIRZWIBKI-JBACZVJFSA-N 1 3 372.557 3.242 20 0 FGADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000540702165 503861353 /nfs/dbraw/zinc/86/13/53/503861353.db2.gz SBVFCSVSZOOPEM-KRWDZBQOSA-N 1 3 364.559 3.012 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000530214918 503880319 /nfs/dbraw/zinc/88/03/19/503880319.db2.gz YXRMJUGZQBOTTQ-RZKFTEDPSA-N 1 3 353.304 3.194 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762211 503883679 /nfs/dbraw/zinc/88/36/79/503883679.db2.gz ISNZKCFPDVAAFX-JFJDKTSWSA-N 1 3 368.521 3.321 20 0 FGADHO Clc1ccc2cccnc2c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242900 503890452 /nfs/dbraw/zinc/89/04/52/503890452.db2.gz VSCNAXNLPCSCMK-KRWDZBQOSA-N 1 3 359.901 3.479 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000518457909 503991962 /nfs/dbraw/zinc/99/19/62/503991962.db2.gz WCNHAUQHGJYCSG-QRVBRYPASA-N 1 3 373.541 3.039 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1)C1CC1 ZINC000518618591 504028606 /nfs/dbraw/zinc/02/86/06/504028606.db2.gz VNQSFQHIMVTNFO-OAQYLSRUSA-N 1 3 355.526 3.371 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1)C1CC1 ZINC000518618591 504028611 /nfs/dbraw/zinc/02/86/11/504028611.db2.gz VNQSFQHIMVTNFO-OAQYLSRUSA-N 1 3 355.526 3.371 20 0 FGADHO COc1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000527991432 504029947 /nfs/dbraw/zinc/02/99/47/504029947.db2.gz VPJIFAULTGSIDA-PWRODBHTSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1cccc(OCC[NH+](C)C)c1 ZINC000528009644 504037815 /nfs/dbraw/zinc/03/78/15/504037815.db2.gz ZCSSFDYPUBULJX-IERDGZPVSA-N 1 3 367.493 3.105 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792455 504044225 /nfs/dbraw/zinc/04/42/25/504044225.db2.gz MUEIKARLCYQUEZ-FQEVSTJZSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987413 504102726 /nfs/dbraw/zinc/10/27/26/504102726.db2.gz OCLJWGWWIXYNAJ-ZWNOBZJWSA-N 1 3 351.800 3.062 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987413 504102731 /nfs/dbraw/zinc/10/27/31/504102731.db2.gz OCLJWGWWIXYNAJ-ZWNOBZJWSA-N 1 3 351.800 3.062 20 0 FGADHO c1cc2c(cc1CN1CCC[C@@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411534 504215663 /nfs/dbraw/zinc/21/56/63/504215663.db2.gz KTSWPKPEGMYTGQ-HXUWFJFHSA-N 1 3 350.462 3.441 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396099 504234629 /nfs/dbraw/zinc/23/46/29/504234629.db2.gz QBDFKFHFBXEHDM-PLACYPQZSA-N 1 3 360.542 3.489 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396099 504234632 /nfs/dbraw/zinc/23/46/32/504234632.db2.gz QBDFKFHFBXEHDM-PLACYPQZSA-N 1 3 360.542 3.489 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000534793898 504242441 /nfs/dbraw/zinc/24/24/41/504242441.db2.gz BOLLIKRARFFSKO-OAHLLOKOSA-N 1 3 373.722 3.136 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780925 504252033 /nfs/dbraw/zinc/25/20/33/504252033.db2.gz ISOCRTWTNOYNTK-FGTMMUONSA-N 1 3 366.594 3.115 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780925 504252036 /nfs/dbraw/zinc/25/20/36/504252036.db2.gz ISOCRTWTNOYNTK-FGTMMUONSA-N 1 3 366.594 3.115 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531357242 504276957 /nfs/dbraw/zinc/27/69/57/504276957.db2.gz GVDAHCTYHVGBQM-HUUCEWRRSA-N 1 3 372.340 3.049 20 0 FGADHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)Cc2ccccc2C1 ZINC000541882364 504289552 /nfs/dbraw/zinc/28/95/52/504289552.db2.gz FJDIKBQFZBVDGR-XPWALMASSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)Cc2ccccc2C1 ZINC000541882364 504289557 /nfs/dbraw/zinc/28/95/57/504289557.db2.gz FJDIKBQFZBVDGR-XPWALMASSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)Cc2ccccc2C1 ZINC000541882364 504289564 /nfs/dbraw/zinc/28/95/64/504289564.db2.gz FJDIKBQFZBVDGR-XPWALMASSA-N 1 3 362.517 3.017 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922996 504303254 /nfs/dbraw/zinc/30/32/54/504303254.db2.gz WOPMHLSBLXGFPR-FUHWJXTLSA-N 1 3 355.482 3.192 20 0 FGADHO COC(=O)c1ccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922996 504303256 /nfs/dbraw/zinc/30/32/56/504303256.db2.gz WOPMHLSBLXGFPR-FUHWJXTLSA-N 1 3 355.482 3.192 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342138 /nfs/dbraw/zinc/34/21/38/504342138.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342143 /nfs/dbraw/zinc/34/21/43/504342143.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 1 3 360.546 3.067 20 0 FGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343590 /nfs/dbraw/zinc/34/35/90/504343590.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 1 3 358.486 3.262 20 0 FGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343595 /nfs/dbraw/zinc/34/35/95/504343595.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 1 3 358.486 3.262 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000531684882 504392582 /nfs/dbraw/zinc/39/25/82/504392582.db2.gz CBNCZSPFUUHJNF-MRXNPFEDSA-N 1 3 373.463 3.306 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(OCCO)cc1 ZINC000539069946 504463793 /nfs/dbraw/zinc/46/37/93/504463793.db2.gz AXBIKQKOVWSFOG-PGRDOPGGSA-N 1 3 354.494 3.058 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(OCCO)cc1 ZINC000539069946 504463798 /nfs/dbraw/zinc/46/37/98/504463798.db2.gz AXBIKQKOVWSFOG-PGRDOPGGSA-N 1 3 354.494 3.058 20 0 FGADHO Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989064 504484907 /nfs/dbraw/zinc/48/49/07/504484907.db2.gz NWWUPDJESLYUKN-GOSISDBHSA-N 1 3 374.529 3.074 20 0 FGADHO CC(C)N1CCC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680169 504506134 /nfs/dbraw/zinc/50/61/34/504506134.db2.gz IXLMKCGKJGTDLG-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680169 504506137 /nfs/dbraw/zinc/50/61/37/504506137.db2.gz IXLMKCGKJGTDLG-NRFANRHFSA-N 1 3 369.553 3.374 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000539295392 504522183 /nfs/dbraw/zinc/52/21/83/504522183.db2.gz LMAQNUPUDSXVSF-OAHLLOKOSA-N 1 3 358.448 3.320 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307070 504525323 /nfs/dbraw/zinc/52/53/23/504525323.db2.gz NVZZJYNAJCQIAS-QAPCUYQASA-N 1 3 351.922 3.169 20 0 FGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000539317559 504527712 /nfs/dbraw/zinc/52/77/12/504527712.db2.gz PITBKTWSMUBHFE-JOCHJYFZSA-N 1 3 368.500 3.400 20 0 FGADHO CC(C)c1nn(-c2ccccc2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000532120508 504540864 /nfs/dbraw/zinc/54/08/64/504540864.db2.gz HJZCAXQUPCDBLY-UHFFFAOYSA-N 1 3 370.541 3.321 20 0 FGADHO CCc1nc2ccccc2c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000548791429 504569156 /nfs/dbraw/zinc/56/91/56/504569156.db2.gz PCJVYLRENWOJRU-KRWDZBQOSA-N 1 3 353.510 3.440 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224545 504579675 /nfs/dbraw/zinc/57/96/75/504579675.db2.gz LERMQLYTIREVEL-OXJNMPFZSA-N 1 3 352.494 3.199 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499895 504591222 /nfs/dbraw/zinc/59/12/22/504591222.db2.gz MVXWTLMGRCOVLG-FCHUYYIVSA-N 1 3 371.569 3.261 20 0 FGADHO CN(CCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784493 504608988 /nfs/dbraw/zinc/60/89/88/504608988.db2.gz MBHCIURDEVXEOA-NRFANRHFSA-N 1 3 366.509 3.031 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542787667 504610600 /nfs/dbraw/zinc/61/06/00/504610600.db2.gz DYZHPWFMWAKZTP-UHFFFAOYSA-N 1 3 374.916 3.152 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539609280 504625026 /nfs/dbraw/zinc/62/50/26/504625026.db2.gz QUAIMQDKMVYMNP-IRXDYDNUSA-N 1 3 356.432 3.388 20 0 FGADHO C[C@@H](NC[C@H]1COc2ccccc2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000539609770 504625229 /nfs/dbraw/zinc/62/52/29/504625229.db2.gz MNHUUSPDQUABLX-APWZRJJASA-N 1 3 356.466 3.118 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000529404211 504658293 /nfs/dbraw/zinc/65/82/93/504658293.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 1 3 369.553 3.230 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000529404211 504658298 /nfs/dbraw/zinc/65/82/98/504658298.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 1 3 369.553 3.230 20 0 FGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000521319755 504708261 /nfs/dbraw/zinc/70/82/61/504708261.db2.gz LKBSCEXGRSVQCY-IRLDBZIGSA-N 1 3 354.494 3.025 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000521520013 504751693 /nfs/dbraw/zinc/75/16/93/504751693.db2.gz NOCXTOJTSYDFRK-NRFANRHFSA-N 1 3 374.573 3.361 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000532836745 504765369 /nfs/dbraw/zinc/76/53/69/504765369.db2.gz BNPSFASKJHUBOL-UHFFFAOYSA-N 1 3 360.546 3.072 20 0 FGADHO CC[N@H+](CCC1CCN(CCn2c(C)csc2=O)CC1)CC1CC1 ZINC000540050085 504765845 /nfs/dbraw/zinc/76/58/45/504765845.db2.gz MJTGPRKYAHULSP-UHFFFAOYSA-N 1 3 351.560 3.052 20 0 FGADHO CC[N@@H+](CCC1CCN(CCn2c(C)csc2=O)CC1)CC1CC1 ZINC000540050085 504765848 /nfs/dbraw/zinc/76/58/48/504765848.db2.gz MJTGPRKYAHULSP-UHFFFAOYSA-N 1 3 351.560 3.052 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033596 504776930 /nfs/dbraw/zinc/77/69/30/504776930.db2.gz BSBYJAPGNYUKRL-ROUUACIJSA-N 1 3 357.542 3.221 20 0 FGADHO C[C@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091515 504779715 /nfs/dbraw/zinc/77/97/15/504779715.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 1 3 357.542 3.420 20 0 FGADHO C[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000559091515 504779720 /nfs/dbraw/zinc/77/97/20/504779720.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 1 3 357.542 3.420 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)cc3C)CC2)CC1 ZINC000552930572 504789812 /nfs/dbraw/zinc/78/98/12/504789812.db2.gz HQVSTPBRXDQIFG-UHFFFAOYSA-N 1 3 357.542 3.116 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000559276615 504817611 /nfs/dbraw/zinc/81/76/11/504817611.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000559276615 504817614 /nfs/dbraw/zinc/81/76/14/504817614.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 1 3 357.542 3.374 20 0 FGADHO Cc1cccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)c1 ZINC000553364647 504894557 /nfs/dbraw/zinc/89/45/57/504894557.db2.gz WLNDSFIEXIBJTH-OAQYLSRUSA-N 1 3 357.542 3.415 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391824 504901929 /nfs/dbraw/zinc/90/19/29/504901929.db2.gz JQFDODVUKMNDCA-FCHUYYIVSA-N 1 3 365.521 3.236 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000553391824 504901933 /nfs/dbraw/zinc/90/19/33/504901933.db2.gz JQFDODVUKMNDCA-FCHUYYIVSA-N 1 3 365.521 3.236 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000549807465 504903038 /nfs/dbraw/zinc/90/30/38/504903038.db2.gz BKSAGJHOCPLKOG-NQIIRXRSSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000549807465 504903041 /nfs/dbraw/zinc/90/30/41/504903041.db2.gz BKSAGJHOCPLKOG-NQIIRXRSSA-N 1 3 373.541 3.213 20 0 FGADHO Cc1ccccc1C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CC1 ZINC000556584014 504910862 /nfs/dbraw/zinc/91/08/62/504910862.db2.gz NKBNAFFWJJAOPQ-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000562769924 504939321 /nfs/dbraw/zinc/93/93/21/504939321.db2.gz QPVNPTVNOSEULQ-UHFFFAOYSA-N 1 3 367.497 3.311 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000559896617 504946609 /nfs/dbraw/zinc/94/66/09/504946609.db2.gz VSQNTSUCPFFDCD-DBXWQHBBSA-N 1 3 355.530 3.324 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000565654955 504950729 /nfs/dbraw/zinc/95/07/29/504950729.db2.gz ZMPSTXLCMAVCCD-YLJYHZDGSA-N 1 3 360.542 3.272 20 0 FGADHO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556884087 505005454 /nfs/dbraw/zinc/00/54/54/505005454.db2.gz PIZLLRBUUAFKHK-PWRODBHTSA-N 1 3 367.541 3.121 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262722 505006043 /nfs/dbraw/zinc/00/60/43/505006043.db2.gz PJDAQYZMUNIPAX-HLAWJBBLSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000553775239 505006178 /nfs/dbraw/zinc/00/61/78/505006178.db2.gz SHNHFOBQGVAGIA-SLYNCCJLSA-N 1 3 373.516 3.123 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565895004 505019526 /nfs/dbraw/zinc/01/95/26/505019526.db2.gz OAGONEMBLHEYOD-IHWFROFDSA-N 1 3 370.541 3.067 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940746 505033780 /nfs/dbraw/zinc/03/37/80/505033780.db2.gz QYOHFKWQQSZFRE-YLJYHZDGSA-N 1 3 372.557 3.147 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000557045500 505052759 /nfs/dbraw/zinc/05/27/59/505052759.db2.gz FSAJBALVEMFYOB-HNNXBMFYSA-N 1 3 365.481 3.032 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000554087406 505085594 /nfs/dbraw/zinc/08/55/94/505085594.db2.gz AUKZFTCWSZDSJC-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000554087406 505085596 /nfs/dbraw/zinc/08/55/96/505085596.db2.gz AUKZFTCWSZDSJC-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000554087406 505085600 /nfs/dbraw/zinc/08/56/00/505085600.db2.gz AUKZFTCWSZDSJC-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cccc(C(=O)NC)c2)CC1)CC1CC1 ZINC000557187909 505088723 /nfs/dbraw/zinc/08/87/23/505088723.db2.gz WWOGOHSWFQUOCD-UHFFFAOYSA-N 1 3 357.542 3.380 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cccc(C(=O)NC)c2)CC1)CC1CC1 ZINC000557187909 505088727 /nfs/dbraw/zinc/08/87/27/505088727.db2.gz WWOGOHSWFQUOCD-UHFFFAOYSA-N 1 3 357.542 3.380 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1 ZINC000554218418 505118723 /nfs/dbraw/zinc/11/87/23/505118723.db2.gz OJRKPQPLLPRBJW-SESVDKBCSA-N 1 3 372.557 3.338 20 0 FGADHO CC(C)OC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000560598967 505139225 /nfs/dbraw/zinc/13/92/25/505139225.db2.gz ZPGMPEFYOGWZJV-HWELCPFYSA-N 1 3 372.553 3.461 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000563452400 505144483 /nfs/dbraw/zinc/14/44/83/505144483.db2.gz IYNKTOGOYQBZIE-XLIONFOSSA-N 1 3 365.456 3.094 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000566332917 505146585 /nfs/dbraw/zinc/14/65/85/505146585.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 1 3 360.546 3.069 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000566332917 505146589 /nfs/dbraw/zinc/14/65/89/505146589.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000563466786 505148156 /nfs/dbraw/zinc/14/81/56/505148156.db2.gz IDHSFKBKEBIOPD-ZWKOTPCHSA-N 1 3 374.529 3.142 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3scnc3C(C)C)CC2)CC1 ZINC000566467162 505183725 /nfs/dbraw/zinc/18/37/25/505183725.db2.gz SEQOQIFFZOGMQG-UHFFFAOYSA-N 1 3 364.559 3.401 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239172 505184010 /nfs/dbraw/zinc/18/40/10/505184010.db2.gz NEIOBFXEIMLTNF-DOTOQJQBSA-N 1 3 373.463 3.370 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239172 505184011 /nfs/dbraw/zinc/18/40/11/505184011.db2.gz NEIOBFXEIMLTNF-DOTOQJQBSA-N 1 3 373.463 3.370 20 0 FGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000566481310 505187292 /nfs/dbraw/zinc/18/72/92/505187292.db2.gz GYGVOVZRJBKFBR-IKGGRYGDSA-N 1 3 369.431 3.056 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)NCCCCC[NH+]2CCCC2)cc1 ZINC000563671187 505206175 /nfs/dbraw/zinc/20/61/75/505206175.db2.gz QZTHEOARTGWAOD-SFHVURJKSA-N 1 3 352.544 3.013 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899032 505209655 /nfs/dbraw/zinc/20/96/55/505209655.db2.gz DGWWHAAFGJRXGP-AEFFLSMTSA-N 1 3 357.523 3.121 20 0 FGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899032 505209658 /nfs/dbraw/zinc/20/96/58/505209658.db2.gz DGWWHAAFGJRXGP-AEFFLSMTSA-N 1 3 357.523 3.121 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751425 505228826 /nfs/dbraw/zinc/22/88/26/505228826.db2.gz AQZQKPDLDZXFCB-FQEVSTJZSA-N 1 3 356.489 3.234 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000566806301 505277722 /nfs/dbraw/zinc/27/77/22/505277722.db2.gz QDSOUGBIBAOJIP-JOCHJYFZSA-N 1 3 369.553 3.026 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000561280734 505302377 /nfs/dbraw/zinc/30/23/77/505302377.db2.gz OQMFWUIBTBGDQC-UYAOXDASSA-N 1 3 359.445 3.199 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000564145561 505336934 /nfs/dbraw/zinc/33/69/34/505336934.db2.gz ZBMRQBIIJRBQBW-FQEVSTJZSA-N 1 3 368.525 3.078 20 0 FGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000561449844 505349176 /nfs/dbraw/zinc/34/91/76/505349176.db2.gz LDYHRHKLYWFYRR-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555133776 505359585 /nfs/dbraw/zinc/35/95/85/505359585.db2.gz WRJBKCHFCCTJRF-CRAIPNDOSA-N 1 3 366.937 3.116 20 0 FGADHO CC(C)[NH2+]CCCNC1CCN(Cc2ccccc2Br)CC1 ZINC000564318946 505382348 /nfs/dbraw/zinc/38/23/48/505382348.db2.gz YFRJTUVTSONQFD-UHFFFAOYSA-N 1 3 368.363 3.391 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000567174426 505385838 /nfs/dbraw/zinc/38/58/38/505385838.db2.gz SGKFDMLIMURXHZ-LJQANCHMSA-N 1 3 370.516 3.469 20 0 FGADHO CN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000552063728 505386636 /nfs/dbraw/zinc/38/66/36/505386636.db2.gz KMYHRXXUTPZXLN-KWXGJIJISA-N 1 3 359.480 3.254 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388138 /nfs/dbraw/zinc/38/81/38/505388138.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 1 3 356.558 3.109 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388139 /nfs/dbraw/zinc/38/81/39/505388139.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 1 3 356.558 3.109 20 0 FGADHO C[N@@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284055 505417743 /nfs/dbraw/zinc/41/77/43/505417743.db2.gz AMBHTAZMRQERCA-LEWJYISDSA-N 1 3 351.494 3.118 20 0 FGADHO C[N@H+]1CC[C@H](NCCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284055 505417747 /nfs/dbraw/zinc/41/77/47/505417747.db2.gz AMBHTAZMRQERCA-LEWJYISDSA-N 1 3 351.494 3.118 20 0 FGADHO CSC1(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCC1 ZINC000558566359 505424848 /nfs/dbraw/zinc/42/48/48/505424848.db2.gz FMEGBOZYERFFFG-UHFFFAOYSA-N 1 3 363.571 3.035 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000564497851 505434331 /nfs/dbraw/zinc/43/43/31/505434331.db2.gz MXCGINHGVIBXCY-RBBKRZOGSA-N 1 3 370.585 3.277 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452939 505468177 /nfs/dbraw/zinc/46/81/77/505468177.db2.gz BCTCMNVWFCMWDC-IERDGZPVSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000567452939 505468182 /nfs/dbraw/zinc/46/81/82/505468182.db2.gz BCTCMNVWFCMWDC-IERDGZPVSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989520 505565761 /nfs/dbraw/zinc/56/57/61/505565761.db2.gz PNFLNWYEBCCLDV-DKKFBQAASA-N 1 3 369.509 3.320 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000582833054 506445747 /nfs/dbraw/zinc/44/57/47/506445747.db2.gz FYXXXJUGSNZZFG-VQTJNVASSA-N 1 3 354.498 3.103 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357727 506524145 /nfs/dbraw/zinc/52/41/45/506524145.db2.gz GELDYTBPCUQUDF-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357727 506524151 /nfs/dbraw/zinc/52/41/51/506524151.db2.gz GELDYTBPCUQUDF-TZIWHRDSSA-N 1 3 357.542 3.279 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000583033564 506552100 /nfs/dbraw/zinc/55/21/00/506552100.db2.gz HUCITQTVQICCAN-DFQSSKMNSA-N 1 3 361.574 3.268 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CSc4ccccc43)CC2)CC1 ZINC000583272184 506689568 /nfs/dbraw/zinc/68/95/68/506689568.db2.gz BXWHPIYUHATEEQ-IBGZPJMESA-N 1 3 373.566 3.146 20 0 FGADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000604081386 506707086 /nfs/dbraw/zinc/70/70/86/506707086.db2.gz QYYQHZWSIMTJAF-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604170464 506733937 /nfs/dbraw/zinc/73/39/37/506733937.db2.gz CDNMUMKRSNZYPA-CTNGQTDRSA-N 1 3 372.557 3.387 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000604185206 506740835 /nfs/dbraw/zinc/74/08/35/506740835.db2.gz QUCPVRYPPIFTJE-FQEVSTJZSA-N 1 3 370.541 3.099 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025807 506749445 /nfs/dbraw/zinc/74/94/45/506749445.db2.gz AIUCBPLRNHGEAS-QIJUGHKUSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000600025807 506749448 /nfs/dbraw/zinc/74/94/48/506749448.db2.gz AIUCBPLRNHGEAS-QIJUGHKUSA-N 1 3 369.553 3.073 20 0 FGADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441381 506782322 /nfs/dbraw/zinc/78/23/22/506782322.db2.gz YTLGIVCGBHAJOJ-AHIWAGSCSA-N 1 3 368.308 3.030 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593829961 506793785 /nfs/dbraw/zinc/79/37/85/506793785.db2.gz GKBVTUCANHYHOK-CTNGQTDRSA-N 1 3 373.516 3.125 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593829989 506793832 /nfs/dbraw/zinc/79/38/32/506793832.db2.gz GKBVTUCANHYHOK-TZIWHRDSSA-N 1 3 373.516 3.125 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963854 506854127 /nfs/dbraw/zinc/85/41/27/506854127.db2.gz FCAWMEJRTLRMDG-TZIWHRDSSA-N 1 3 373.516 3.125 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000583820045 506991454 /nfs/dbraw/zinc/99/14/54/506991454.db2.gz URDWSYCFLSHULW-OAHLLOKOSA-N 1 3 370.472 3.113 20 0 FGADHO CC[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998872 507027167 /nfs/dbraw/zinc/02/71/67/507027167.db2.gz JWHXQNVAQSETEL-IBGZPJMESA-N 1 3 357.542 3.411 20 0 FGADHO C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961964 507072019 /nfs/dbraw/zinc/07/20/19/507072019.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961964 507072025 /nfs/dbraw/zinc/07/20/25/507072025.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 1 3 357.542 3.135 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594310435 507073572 /nfs/dbraw/zinc/07/35/72/507073572.db2.gz FJHJUTVSVAUZDT-OALUTQOASA-N 1 3 366.594 3.403 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594310435 507073575 /nfs/dbraw/zinc/07/35/75/507073575.db2.gz FJHJUTVSVAUZDT-OALUTQOASA-N 1 3 366.594 3.403 20 0 FGADHO Cc1cnc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000584169968 507192128 /nfs/dbraw/zinc/19/21/28/507192128.db2.gz SRRBRWBLMOUQQJ-WOJBJXKFSA-N 1 3 359.558 3.452 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000601215162 507298463 /nfs/dbraw/zinc/29/84/63/507298463.db2.gz YBFSFZMBECNTHK-SJORKVTESA-N 1 3 364.559 3.057 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024499 507358328 /nfs/dbraw/zinc/35/83/28/507358328.db2.gz GSFJYYXXUBXYRX-DIOULYMOSA-N 1 3 370.278 3.351 20 0 FGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024499 507358334 /nfs/dbraw/zinc/35/83/34/507358334.db2.gz GSFJYYXXUBXYRX-DIOULYMOSA-N 1 3 370.278 3.351 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536705 /nfs/dbraw/zinc/53/67/05/507536705.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 1 3 358.404 3.382 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536714 /nfs/dbraw/zinc/53/67/14/507536714.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 1 3 358.404 3.382 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541823 /nfs/dbraw/zinc/54/18/23/507541823.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541831 /nfs/dbraw/zinc/54/18/31/507541831.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO CCc1ccc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000607227660 507659528 /nfs/dbraw/zinc/65/95/28/507659528.db2.gz ZPHRJYYVEKJZME-HXUWFJFHSA-N 1 3 362.562 3.081 20 0 FGADHO CCOC(=O)C1([C@H](C)NC2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000592470699 507670167 /nfs/dbraw/zinc/67/01/67/507670167.db2.gz DLDRSYVFAYKLPT-AWEZNQCLSA-N 1 3 350.890 3.240 20 0 FGADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000607246882 507670768 /nfs/dbraw/zinc/67/07/68/507670768.db2.gz SWIQGJJTHZLHNT-OALUTQOASA-N 1 3 372.557 3.023 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125586178 700737603 /nfs/dbraw/zinc/73/76/03/700737603.db2.gz SOHMLXAKLTXHML-KRWDZBQOSA-N 1 3 358.404 3.083 20 0 FGADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429287 705344426 /nfs/dbraw/zinc/34/44/26/705344426.db2.gz QTPPFBGQMSWFLZ-IAGOWNOFSA-N 1 3 351.535 3.430 20 0 FGADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429287 705344431 /nfs/dbraw/zinc/34/44/31/705344431.db2.gz QTPPFBGQMSWFLZ-IAGOWNOFSA-N 1 3 351.535 3.430 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581897 713626710 /nfs/dbraw/zinc/62/67/10/713626710.db2.gz SEWJCYSOFRLGNC-KURKYZTESA-N 1 3 353.551 3.486 20 0 FGADHO CN1CCC2(CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000374325399 713913929 /nfs/dbraw/zinc/91/39/29/713913929.db2.gz PENYKGUFBHJPBK-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC2(CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000374325399 713913931 /nfs/dbraw/zinc/91/39/31/713913931.db2.gz PENYKGUFBHJPBK-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000384457566 713982126 /nfs/dbraw/zinc/98/21/26/713982126.db2.gz ZINOEYSWLKWZAW-MSOLQXFVSA-N 1 3 353.551 3.391 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462085 713982145 /nfs/dbraw/zinc/98/21/45/713982145.db2.gz BAXBERLKXYAXQN-SQNIBIBYSA-N 1 3 353.551 3.484 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414927966 714005995 /nfs/dbraw/zinc/00/59/95/714005995.db2.gz PQPOXGWTENHRRY-OSAQELSMSA-N 1 3 354.292 3.026 20 0 FGADHO Cc1cc(NCCN2CCSCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524839930 714304676 /nfs/dbraw/zinc/30/46/76/714304676.db2.gz HCOZGBGPVDCIFL-UHFFFAOYSA-N 1 3 353.438 3.027 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000562992736 714438655 /nfs/dbraw/zinc/43/86/55/714438655.db2.gz WXUNOZDTJRPVBJ-SFHVURJKSA-N 1 3 366.933 3.385 20 0 FGADHO COc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc(Br)c1OC ZINC000623404733 715329033 /nfs/dbraw/zinc/32/90/33/715329033.db2.gz IUZWJVJNWWYSOE-CYBMUJFWSA-N 1 3 371.319 3.429 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 ZINC000624118282 715475827 /nfs/dbraw/zinc/47/58/27/715475827.db2.gz DHROZYMGRFAIJS-IBGZPJMESA-N 1 3 365.949 3.398 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624119907 715476416 /nfs/dbraw/zinc/47/64/16/715476416.db2.gz MDPCWBKNHQTFMF-FUMNGEBKSA-N 1 3 363.933 3.008 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624119907 715476421 /nfs/dbraw/zinc/47/64/21/715476421.db2.gz MDPCWBKNHQTFMF-FUMNGEBKSA-N 1 3 363.933 3.008 20 0 FGADHO C[C@@H]1CN(CCOCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654781 715767552 /nfs/dbraw/zinc/76/75/52/715767552.db2.gz QUKODWIPQUXHOZ-RUPPMWDTSA-N 1 3 368.459 3.449 20 0 FGADHO C[C@@H]1C[NH+](CCOCCN2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654781 715767558 /nfs/dbraw/zinc/76/75/58/715767558.db2.gz QUKODWIPQUXHOZ-RUPPMWDTSA-N 1 3 368.459 3.449 20 0 FGADHO CN1C[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@H](c2ccccc2)C1 ZINC000647249225 718343239 /nfs/dbraw/zinc/34/32/39/718343239.db2.gz KUMOWYZAYNLRKI-AEFFLSMTSA-N 1 3 360.299 3.279 20 0 FGADHO COc1cc(CNCc2ccc(C[NH3+])cc2)ccc1OCC(F)(F)F ZINC000647553219 718367399 /nfs/dbraw/zinc/36/73/99/718367399.db2.gz JXLMFCKYFWOORQ-UHFFFAOYSA-N 1 3 354.372 3.385 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379246 718420692 /nfs/dbraw/zinc/42/06/92/718420692.db2.gz WTHVQXDFDRMXCA-INIZCTEOSA-N 1 3 351.878 3.414 20 0 FGADHO COC1CCN(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000648500177 718432392 /nfs/dbraw/zinc/43/23/92/718432392.db2.gz NWWXFWVHBJDXRR-UHFFFAOYSA-N 1 3 353.595 3.366 20 0 FGADHO C[C@@H]1OCC[C@@]1(C)NCc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489581 718520452 /nfs/dbraw/zinc/52/04/52/718520452.db2.gz SZLVPVJXVOULNY-HZVDNRATSA-N 1 3 350.478 3.140 20 0 FGADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705364 718716539 /nfs/dbraw/zinc/71/65/39/718716539.db2.gz FKGVDJNUOKZWAV-YQQAZPJKSA-N 1 3 368.905 3.076 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707380 718717683 /nfs/dbraw/zinc/71/76/83/718717683.db2.gz DVZLFYOCROEYFY-CPUCHLNUSA-N 1 3 358.404 3.145 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](N[C@H]3CCc4ccc(F)c(Cl)c43)C2)CC1 ZINC000651709095 718853686 /nfs/dbraw/zinc/85/36/86/718853686.db2.gz KLXQTIHKHPIYQL-PBHICJAKSA-N 1 3 351.897 3.225 20 0 FGADHO O=C([C@H]1CCC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000653149826 719017432 /nfs/dbraw/zinc/01/74/32/719017432.db2.gz HSMKZWMZGGGRAG-SFHVURJKSA-N 1 3 363.933 3.154 20 0 FGADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717916 719329389 /nfs/dbraw/zinc/32/93/89/719329389.db2.gz GANHAXIYXGDQQH-PMACEKPBSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N)CCCC1 ZINC000656789675 719471287 /nfs/dbraw/zinc/47/12/87/719471287.db2.gz VDGLROTVOJCGQN-GFCCVEGCSA-N 1 3 354.292 3.027 20 0 FGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)[C@]3(O)CCCOC3)CC2)C1 ZINC000658313070 719784405 /nfs/dbraw/zinc/78/44/05/719784405.db2.gz WQUBIBSOKSUIRG-QFUCXCTJSA-N 1 3 352.563 3.187 20 0 FGADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000659427382 719912790 /nfs/dbraw/zinc/91/27/90/719912790.db2.gz MKLYEQNHDXOJQA-SJORKVTESA-N 1 3 366.575 3.194 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090811 /nfs/dbraw/zinc/09/08/11/720090811.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 1 3 373.324 3.151 20 0 FGADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090817 /nfs/dbraw/zinc/09/08/17/720090817.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 1 3 373.324 3.151 20 0 FGADHO Clc1ccc(O[C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257479 720405293 /nfs/dbraw/zinc/40/52/93/720405293.db2.gz CZWRCBZHBYTPDY-CABCVRRESA-N 1 3 371.308 3.358 20 0 FGADHO Brc1ccccc1[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258505 720405989 /nfs/dbraw/zinc/40/59/89/720405989.db2.gz JFULEXXAETWTPD-BBRMVZONSA-N 1 3 351.288 3.107 20 0 FGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)[C@@H]1c1cccs1 ZINC000662474070 720432325 /nfs/dbraw/zinc/43/23/25/720432325.db2.gz RYWNGVVWLARIPY-HNAYVOBHSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CNC3)[C@@H]1c1cccs1 ZINC000662474070 720432327 /nfs/dbraw/zinc/43/23/27/720432327.db2.gz RYWNGVVWLARIPY-HNAYVOBHSA-N 1 3 355.507 3.164 20 0 FGADHO C[NH2+]CCCC(=O)N1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000663502156 720520302 /nfs/dbraw/zinc/52/03/02/720520302.db2.gz CTQDDBCOOCNFMK-UHFFFAOYSA-N 1 3 358.313 3.074 20 0 FGADHO O=C(CN1CCC2(CC2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000677718147 721911226 /nfs/dbraw/zinc/91/12/26/721911226.db2.gz XUVYLLVEEYEWRH-UHFFFAOYSA-N 1 3 359.539 3.050 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000749186808 722719484 /nfs/dbraw/zinc/71/94/84/722719484.db2.gz QPWJFKPITABNNM-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000756644244 722968135 /nfs/dbraw/zinc/96/81/35/722968135.db2.gz ZWWIRIDHGXLIEZ-VIQWUECVSA-N 1 3 364.555 3.236 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596246 725074601 /nfs/dbraw/zinc/07/46/01/725074601.db2.gz YCLMRUBDJAIGDQ-MRXNPFEDSA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146484 725292780 /nfs/dbraw/zinc/29/27/80/725292780.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 1 3 355.542 3.073 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146484 725292783 /nfs/dbraw/zinc/29/27/83/725292783.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 1 3 355.542 3.073 20 0 FGADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000817929604 727288088 /nfs/dbraw/zinc/28/80/88/727288088.db2.gz IRYOYQPKXHZISM-MLHJIOFPSA-N 1 3 367.331 3.383 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818969465 727332465 /nfs/dbraw/zinc/33/24/65/727332465.db2.gz QHICDOZQGXSADV-INIZCTEOSA-N 1 3 355.320 3.335 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818969592 727332495 /nfs/dbraw/zinc/33/24/95/727332495.db2.gz QHICDOZQGXSADV-MRXNPFEDSA-N 1 3 355.320 3.335 20 0 FGADHO CC1CCN([C@@H](CNC(=O)c2cccc(C[NH3+])c2)c2cccs2)CC1 ZINC000825769604 729394846 /nfs/dbraw/zinc/39/48/46/729394846.db2.gz BMWSAUOVFHUVJD-SFHVURJKSA-N 1 3 357.523 3.410 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533122 729431455 /nfs/dbraw/zinc/43/14/55/729431455.db2.gz CNTXKKGZZPQPIS-QGZVFWFLSA-N 1 3 366.937 3.012 20 0 FGADHO Cc1cc([C@H](N)CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533122 729431456 /nfs/dbraw/zinc/43/14/56/729431456.db2.gz CNTXKKGZZPQPIS-QGZVFWFLSA-N 1 3 366.937 3.012 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513345 729808816 /nfs/dbraw/zinc/80/88/16/729808816.db2.gz KYBYIXLCGXZHLA-VSZNYVQBSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513345 729808820 /nfs/dbraw/zinc/80/88/20/729808820.db2.gz KYBYIXLCGXZHLA-VSZNYVQBSA-N 1 3 351.535 3.381 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000840885384 730188045 /nfs/dbraw/zinc/18/80/45/730188045.db2.gz XQYGFVLWCRYSHK-INIZCTEOSA-N 1 3 359.901 3.413 20 0 FGADHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cnc1Cl ZINC000840969260 730198640 /nfs/dbraw/zinc/19/86/40/730198640.db2.gz CWXKAKFTSMETAM-UHFFFAOYSA-N 1 3 359.901 3.160 20 0 FGADHO C[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000849114631 731230718 /nfs/dbraw/zinc/23/07/18/731230718.db2.gz OMEMCCIZFXQXJV-QGZVFWFLSA-N 1 3 369.340 3.349 20 0 FGADHO C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000850534929 731370355 /nfs/dbraw/zinc/37/03/55/731370355.db2.gz RWGZJLSJAFPAOQ-QGTPRVQTSA-N 1 3 354.441 3.092 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712649 /nfs/dbraw/zinc/71/26/49/736712649.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712651 /nfs/dbraw/zinc/71/26/51/736712651.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 1 3 351.535 3.050 20 0 FGADHO CCC1(N2CCC2)CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000886719726 739289530 /nfs/dbraw/zinc/28/95/30/739289530.db2.gz FPFFHZVRICQQIH-UHFFFAOYSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209585 742124656 /nfs/dbraw/zinc/12/46/56/742124656.db2.gz LIBLQPIGLKCNRT-JXXIJFNNSA-N 1 3 351.897 3.439 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C)(N3CCC3)CC2)C1 ZINC000895670449 742438445 /nfs/dbraw/zinc/43/84/45/742438445.db2.gz IRLQVPUWMIEEIG-IBGZPJMESA-N 1 3 351.535 3.194 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391712 758911456 /nfs/dbraw/zinc/91/14/56/758911456.db2.gz GKSNOFGDSQRPMC-WOCWXWTJSA-N 1 3 365.587 3.400 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391712 758911459 /nfs/dbraw/zinc/91/14/59/758911459.db2.gz GKSNOFGDSQRPMC-WOCWXWTJSA-N 1 3 365.587 3.400 20 0 FGADHO C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925774404 759534230 /nfs/dbraw/zinc/53/42/30/759534230.db2.gz VEBQZFURCAYWFI-UFYCRDLUSA-N 1 3 350.547 3.110 20 0 FGADHO CC[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925799458 759544072 /nfs/dbraw/zinc/54/40/72/759544072.db2.gz YVVPBIAYPZDJRC-NVXWUHKLSA-N 1 3 354.441 3.487 20 0 FGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795066 759821954 /nfs/dbraw/zinc/82/19/54/759821954.db2.gz GSQJUCSORJDYAV-KRWDZBQOSA-N 1 3 366.571 3.294 20 0 FGADHO CC(C)CC[NH+]1CCC(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000926795066 759821965 /nfs/dbraw/zinc/82/19/65/759821965.db2.gz GSQJUCSORJDYAV-KRWDZBQOSA-N 1 3 366.571 3.294 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2csc(C)c2)CC[N@@H+]1C ZINC000960643194 762736242 /nfs/dbraw/zinc/73/62/42/762736242.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2csc(C)c2)CC[N@H+]1C ZINC000960643194 762736250 /nfs/dbraw/zinc/73/62/50/762736250.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 1 3 363.571 3.210 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000985442681 763931302 /nfs/dbraw/zinc/93/13/02/763931302.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 1 3 363.933 3.103 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000985442681 763931303 /nfs/dbraw/zinc/93/13/03/763931303.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 1 3 363.933 3.103 20 0 FGADHO Cc1cc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563146 /nfs/dbraw/zinc/56/31/46/764563146.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 1 3 361.555 3.010 20 0 FGADHO Cc1cc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563152 /nfs/dbraw/zinc/56/31/52/764563152.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 1 3 361.555 3.010 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3Cl)C2)CC[N@@H+]1C ZINC001022103029 765973169 /nfs/dbraw/zinc/97/31/69/765973169.db2.gz DDCKRTOVFPBZST-BQDHKBFISA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC001022103029 765973172 /nfs/dbraw/zinc/97/31/72/765973172.db2.gz DDCKRTOVFPBZST-BQDHKBFISA-N 1 3 370.324 3.070 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608393 505577192 /nfs/dbraw/zinc/57/71/92/505577192.db2.gz OUDVVAHTTGPXKA-USXIJHARSA-N 1 3 364.415 3.450 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000579572221 505578207 /nfs/dbraw/zinc/57/82/07/505578207.db2.gz NLTJXDALOSKDIH-IBGZPJMESA-N 1 3 358.530 3.080 20 0 FGADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000579597910 505583594 /nfs/dbraw/zinc/58/35/94/505583594.db2.gz JONRCLCIQZCBFG-JKSUJKDBSA-N 1 3 366.347 3.127 20 0 FGADHO CCN(CCOCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000579714802 505607433 /nfs/dbraw/zinc/60/74/33/505607433.db2.gz YNHWBYZMYWSDLZ-AWEZNQCLSA-N 1 3 359.333 3.283 20 0 FGADHO C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576882967 505616189 /nfs/dbraw/zinc/61/61/89/505616189.db2.gz OSQUGVOWUYMOMD-RXVVDRJESA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H](NCCNC(=O)CC1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576882967 505616193 /nfs/dbraw/zinc/61/61/93/505616193.db2.gz OSQUGVOWUYMOMD-RXVVDRJESA-N 1 3 357.542 3.183 20 0 FGADHO C[C@H](NCCNC(=O)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882967 505616198 /nfs/dbraw/zinc/61/61/98/505616198.db2.gz OSQUGVOWUYMOMD-RXVVDRJESA-N 1 3 357.542 3.183 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccc3ccccc3c2)c1 ZINC000570997890 505629490 /nfs/dbraw/zinc/62/94/90/505629490.db2.gz ZLHGBZPPNIXTHW-JOCHJYFZSA-N 1 3 364.489 3.431 20 0 FGADHO CC(C)N1CCN([C@H]2CC[N@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035807 505666902 /nfs/dbraw/zinc/66/69/02/505666902.db2.gz MSAMOSRZQBIFAG-UZLBHIALSA-N 1 3 351.485 3.169 20 0 FGADHO CC(C)N1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035807 505666904 /nfs/dbraw/zinc/66/69/04/505666904.db2.gz MSAMOSRZQBIFAG-UZLBHIALSA-N 1 3 351.485 3.169 20 0 FGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366728 493804871 /nfs/dbraw/zinc/80/48/71/493804871.db2.gz OVSLDMGQBGMQHB-QFIPXVFZSA-N 1 3 363.505 3.287 20 0 FGADHO CC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125107 493950487 /nfs/dbraw/zinc/95/04/87/493950487.db2.gz NIAVTIDUUSRSCJ-OAQYLSRUSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN([C@@H](C)C2CC2)C2CC2)CC1 ZINC000051881709 493991717 /nfs/dbraw/zinc/99/17/17/493991717.db2.gz UVALZMXQRZXKJY-SFHVURJKSA-N 1 3 369.553 3.339 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000577270832 505698065 /nfs/dbraw/zinc/69/80/65/505698065.db2.gz MDHNPADKDKGGCI-RBUKOAKNSA-N 1 3 350.466 3.034 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000577270832 505698068 /nfs/dbraw/zinc/69/80/68/505698068.db2.gz MDHNPADKDKGGCI-RBUKOAKNSA-N 1 3 350.466 3.034 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)CC2CCCC2)CC1 ZINC000064021640 494102383 /nfs/dbraw/zinc/10/23/83/494102383.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 1 3 357.542 3.151 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)CC2CCCC2)CC1 ZINC000064021640 494102387 /nfs/dbraw/zinc/10/23/87/494102387.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 1 3 357.542 3.151 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809943 494184117 /nfs/dbraw/zinc/18/41/17/494184117.db2.gz PEOTZEWYCMBDSM-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000065522123 494209317 /nfs/dbraw/zinc/20/93/17/494209317.db2.gz ORFSNDJFSIKGQF-AZUAARDMSA-N 1 3 372.557 3.386 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)C2CCCCC2)CC1 ZINC000054338645 494222095 /nfs/dbraw/zinc/22/20/95/494222095.db2.gz CFXNDIZRAIRBHE-UHFFFAOYSA-N 1 3 357.542 3.422 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000073173694 494332517 /nfs/dbraw/zinc/33/25/17/494332517.db2.gz JSVVLEVLNUUUOE-NRFANRHFSA-N 1 3 357.542 3.369 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000045029719 494392370 /nfs/dbraw/zinc/39/23/70/494392370.db2.gz DANIQCZALHHGAW-UHFFFAOYSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NCc1ccc([S@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221120 494456650 /nfs/dbraw/zinc/45/66/50/494456650.db2.gz GFWONFOFOREZAQ-IVCQMTBJSA-N 1 3 360.523 3.215 20 0 FGADHO CCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090522727 494478227 /nfs/dbraw/zinc/47/82/27/494478227.db2.gz NHQUTAGPMZUQAA-JQFCIGGWSA-N 1 3 351.560 3.432 20 0 FGADHO C[NH+](C)CCOc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)ccn1 ZINC000090937393 494505140 /nfs/dbraw/zinc/50/51/40/494505140.db2.gz ZEPLAYKXGWBZIK-CTNGQTDRSA-N 1 3 369.509 3.280 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000080056158 494578012 /nfs/dbraw/zinc/57/80/12/494578012.db2.gz LNNJMSQVJDOQIO-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091285145 494578556 /nfs/dbraw/zinc/57/85/56/494578556.db2.gz XMSZAVPWRWCOIS-GOSISDBHSA-N 1 3 366.347 3.054 20 0 FGADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000131452315 494624863 /nfs/dbraw/zinc/62/48/63/494624863.db2.gz RBXWGENRBRTKDP-UHFFFAOYSA-N 1 3 351.922 3.266 20 0 FGADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042331 494627983 /nfs/dbraw/zinc/62/79/83/494627983.db2.gz KXYHZDAMDMVNGT-HXUWFJFHSA-N 1 3 372.557 3.026 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169606 494665895 /nfs/dbraw/zinc/66/58/95/494665895.db2.gz OLPYDPQKEGFOGG-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169606 494665900 /nfs/dbraw/zinc/66/59/00/494665900.db2.gz OLPYDPQKEGFOGG-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000108420673 494702794 /nfs/dbraw/zinc/70/27/94/494702794.db2.gz RDKSOVUKPBNLDL-GOSISDBHSA-N 1 3 357.523 3.044 20 0 FGADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000108420673 494702801 /nfs/dbraw/zinc/70/28/01/494702801.db2.gz RDKSOVUKPBNLDL-GOSISDBHSA-N 1 3 357.523 3.044 20 0 FGADHO CCCn1ccc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc21 ZINC000131877782 494760890 /nfs/dbraw/zinc/76/08/90/494760890.db2.gz MOOUTQCQZYZYGH-UHFFFAOYSA-N 1 3 359.518 3.008 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cc1ccccc1 ZINC000092821068 494762810 /nfs/dbraw/zinc/76/28/10/494762810.db2.gz UMXMHIATFIYVJB-JOCHJYFZSA-N 1 3 353.510 3.224 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cc1ccccc1 ZINC000092821068 494762819 /nfs/dbraw/zinc/76/28/19/494762819.db2.gz UMXMHIATFIYVJB-JOCHJYFZSA-N 1 3 353.510 3.224 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@@](=O)c1ccccc1 ZINC000092821164 494762965 /nfs/dbraw/zinc/76/29/65/494762965.db2.gz VEZQAWFZRNHYLF-SANMLTNESA-N 1 3 371.550 3.428 20 0 FGADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821537 494763806 /nfs/dbraw/zinc/76/38/06/494763806.db2.gz PEBIVABXTLVNPP-RTBURBONSA-N 1 3 372.557 3.409 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000080717900 494776262 /nfs/dbraw/zinc/77/62/62/494776262.db2.gz VCMJDXYYZZWTLB-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)C[NH+](C)C ZINC000132105190 494820712 /nfs/dbraw/zinc/82/07/12/494820712.db2.gz IRRQUKMEFWBHBK-CYBMUJFWSA-N 1 3 370.335 3.344 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)N1CCCCCC1 ZINC000126988291 494874034 /nfs/dbraw/zinc/87/40/34/494874034.db2.gz ZTDRYAMYZCBBDN-GOSISDBHSA-N 1 3 373.541 3.094 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093734948 494915308 /nfs/dbraw/zinc/91/53/08/494915308.db2.gz KFNGEUZNBZLLLR-UHFFFAOYSA-N 1 3 358.486 3.055 20 0 FGADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OC ZINC000132805673 494927485 /nfs/dbraw/zinc/92/74/85/494927485.db2.gz OUVIKBRVOCGGTB-IAGOWNOFSA-N 1 3 362.514 3.164 20 0 FGADHO CCc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000122380692 494966598 /nfs/dbraw/zinc/96/65/98/494966598.db2.gz QTNWEXHTUPKZLW-UHFFFAOYSA-N 1 3 358.530 3.238 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755281 /nfs/dbraw/zinc/75/52/81/505755281.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755284 /nfs/dbraw/zinc/75/52/84/505755284.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc(Br)c1OC ZINC000133636201 495039851 /nfs/dbraw/zinc/03/98/51/495039851.db2.gz LQTSLOHQIDDANZ-TYNCELHUSA-N 1 3 371.319 3.285 20 0 FGADHO Cc1cccc(CN2CCC(NC(=O)N3CCC([NH2+]C(C)C)CC3)CC2)c1 ZINC000111813920 495115297 /nfs/dbraw/zinc/11/52/97/495115297.db2.gz JVACSZDGPVODPG-UHFFFAOYSA-N 1 3 372.557 3.131 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111847995 495119949 /nfs/dbraw/zinc/11/99/49/495119949.db2.gz UEBKBVWOZNSIMC-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111847997 495120086 /nfs/dbraw/zinc/12/00/86/495120086.db2.gz UEBKBVWOZNSIMC-SFHVURJKSA-N 1 3 360.546 3.071 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCc3ccccc32)c1 ZINC000112542225 495202864 /nfs/dbraw/zinc/20/28/64/495202864.db2.gz TYZROIAXTZVCEL-NRFANRHFSA-N 1 3 351.494 3.145 20 0 FGADHO CCc1ccc(Cl)c(CC)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119757369 495234158 /nfs/dbraw/zinc/23/41/58/495234158.db2.gz HYCNGOXMMJKLJG-UHFFFAOYSA-N 1 3 368.953 3.422 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000577647427 505770072 /nfs/dbraw/zinc/77/00/72/505770072.db2.gz NUFVKICSYQTQBW-XMSQKQJNSA-N 1 3 365.521 3.184 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000113552749 495313916 /nfs/dbraw/zinc/31/39/16/495313916.db2.gz GYOHWGRQFIBPCF-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000113552749 495313922 /nfs/dbraw/zinc/31/39/22/495313922.db2.gz GYOHWGRQFIBPCF-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](N(C)C)C3)cc2)C1 ZINC000105113304 495337830 /nfs/dbraw/zinc/33/78/30/495337830.db2.gz KADRFQKNWLKDDA-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](N(C)C)C3)cc2)C1 ZINC000105113304 495337834 /nfs/dbraw/zinc/33/78/34/495337834.db2.gz KADRFQKNWLKDDA-RXVVDRJESA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310161 495349684 /nfs/dbraw/zinc/34/96/84/495349684.db2.gz CKOJVFYYOMUIFO-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310161 495349688 /nfs/dbraw/zinc/34/96/88/495349688.db2.gz CKOJVFYYOMUIFO-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000120423487 495373749 /nfs/dbraw/zinc/37/37/49/495373749.db2.gz QRPSWAXLUYWSMR-ZDUSSCGKSA-N 1 3 355.910 3.243 20 0 FGADHO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cccc(OCCN(C)C)c1 ZINC000130591585 495416427 /nfs/dbraw/zinc/41/64/27/495416427.db2.gz NAYDVYFRGOIGPJ-KRWDZBQOSA-N 1 3 352.482 3.168 20 0 FGADHO COCc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)o1 ZINC000125342271 495429628 /nfs/dbraw/zinc/42/96/28/495429628.db2.gz VFYGNFWQGJLXRG-UHFFFAOYSA-N 1 3 371.525 3.426 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000137430064 495440803 /nfs/dbraw/zinc/44/08/03/495440803.db2.gz ZOCMHUXOMYPYAV-MNLRITNHSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCCC1 ZINC000125566030 495464100 /nfs/dbraw/zinc/46/41/00/495464100.db2.gz CAFINOLSIBHILU-GJZGRUSLSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125566030 495464104 /nfs/dbraw/zinc/46/41/04/495464104.db2.gz CAFINOLSIBHILU-GJZGRUSLSA-N 1 3 352.910 3.164 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131127242 495495359 /nfs/dbraw/zinc/49/53/59/495495359.db2.gz QMKAPPKRXAPZMM-AWEZNQCLSA-N 1 3 372.326 3.266 20 0 FGADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497644 /nfs/dbraw/zinc/49/76/44/495497644.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 1 3 355.526 3.418 20 0 FGADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497648 /nfs/dbraw/zinc/49/76/48/495497648.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 1 3 355.526 3.418 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000125825176 495504246 /nfs/dbraw/zinc/50/42/46/495504246.db2.gz HQDZUPLMAVCFRF-NRFANRHFSA-N 1 3 374.573 3.443 20 0 FGADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154257181 495559104 /nfs/dbraw/zinc/55/91/04/495559104.db2.gz KRLDKSKCGMKZNI-INIZCTEOSA-N 1 3 353.938 3.417 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154320946 495579907 /nfs/dbraw/zinc/57/99/07/495579907.db2.gz AJOFKGVHYKRVMU-CQSZACIVSA-N 1 3 359.436 3.105 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000154389133 495601407 /nfs/dbraw/zinc/60/14/07/495601407.db2.gz KODGBDSXIGYJRS-IRXDYDNUSA-N 1 3 360.571 3.406 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000182588573 495627164 /nfs/dbraw/zinc/62/71/64/495627164.db2.gz PPRKSXJSNIDZRC-MJGOQNOKSA-N 1 3 364.578 3.155 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000176391023 495632548 /nfs/dbraw/zinc/63/25/48/495632548.db2.gz REDKWLNAAKNSMC-RTWAWAEBSA-N 1 3 370.541 3.051 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672552 /nfs/dbraw/zinc/67/25/52/495672552.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 1 3 356.432 3.025 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672557 /nfs/dbraw/zinc/67/25/57/495672557.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672564 /nfs/dbraw/zinc/67/25/64/495672564.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 1 3 356.432 3.025 20 0 FGADHO CN1CCC[C@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672567 /nfs/dbraw/zinc/67/25/67/495672567.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 1 3 356.432 3.025 20 0 FGADHO CN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000176565119 495701047 /nfs/dbraw/zinc/70/10/47/495701047.db2.gz RSYRKSJPQJHOBF-FPOVZHCZSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176626145 495724800 /nfs/dbraw/zinc/72/48/00/495724800.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176626145 495724808 /nfs/dbraw/zinc/72/48/08/495724808.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000577846773 505803483 /nfs/dbraw/zinc/80/34/83/505803483.db2.gz ZIBWPFOJGITETD-ZMSDIMECSA-N 1 3 351.560 3.271 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000155193011 495869867 /nfs/dbraw/zinc/86/98/67/495869867.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 1 3 355.526 3.227 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000155193011 495869872 /nfs/dbraw/zinc/86/98/72/495869872.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 1 3 355.526 3.227 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000571768756 505810619 /nfs/dbraw/zinc/81/06/19/505810619.db2.gz NNUZOZQFEOXFIH-BHDDXSALSA-N 1 3 371.569 3.429 20 0 FGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc(C[NH+](C)C)c1 ZINC000183326758 495932504 /nfs/dbraw/zinc/93/25/04/495932504.db2.gz LMEHIZOCPANQJP-HSZRJFAPSA-N 1 3 367.537 3.220 20 0 FGADHO CCC[C@H]1[C@H](C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467653 495972325 /nfs/dbraw/zinc/97/23/25/495972325.db2.gz ZJMWXHBMHLWPQU-XLIONFOSSA-N 1 3 364.578 3.155 20 0 FGADHO CN(CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556860 495993292 /nfs/dbraw/zinc/99/32/92/495993292.db2.gz HEQZJNUBRJBXDO-OAQYLSRUSA-N 1 3 372.557 3.168 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177328344 496019918 /nfs/dbraw/zinc/01/99/18/496019918.db2.gz KBEWATWODHAATI-UHFFFAOYSA-N 1 3 372.557 3.345 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000155639230 496022029 /nfs/dbraw/zinc/02/20/29/496022029.db2.gz JISWRYHXAYMNQE-YOEHRIQHSA-N 1 3 353.963 3.493 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000152034301 496027271 /nfs/dbraw/zinc/02/72/71/496027271.db2.gz CDSGPFWZSSOVOE-UHFFFAOYSA-N 1 3 366.594 3.260 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000155698813 496039418 /nfs/dbraw/zinc/03/94/18/496039418.db2.gz OMDIPHUWTOGALT-UHFFFAOYSA-N 1 3 365.521 3.315 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000177505348 496090127 /nfs/dbraw/zinc/09/01/27/496090127.db2.gz VPRDJXJYONIVOR-KDURUIRLSA-N 1 3 373.541 3.227 20 0 FGADHO CC(=O)Nc1cccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177510721 496091912 /nfs/dbraw/zinc/09/19/12/496091912.db2.gz AOQSZVQMPKUTKG-HDICACEKSA-N 1 3 373.541 3.356 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000174754867 496092632 /nfs/dbraw/zinc/09/26/32/496092632.db2.gz GDOABQCEPGINOX-UHFFFAOYSA-N 1 3 357.473 3.091 20 0 FGADHO CN(c1ccccc1C[N@H+](C)CCc1ccncc1)C1CCN(C)CC1 ZINC000183762112 496108077 /nfs/dbraw/zinc/10/80/77/496108077.db2.gz XHEHWEWWKYWENT-UHFFFAOYSA-N 1 3 352.526 3.287 20 0 FGADHO CN(c1ccccc1C[N@@H+](C)CCc1ccncc1)C1CCN(C)CC1 ZINC000183762112 496108080 /nfs/dbraw/zinc/10/80/80/496108080.db2.gz XHEHWEWWKYWENT-UHFFFAOYSA-N 1 3 352.526 3.287 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000177851255 496223553 /nfs/dbraw/zinc/22/35/53/496223553.db2.gz KECHYYFNYGUTMM-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccsc1 ZINC000177851255 496223556 /nfs/dbraw/zinc/22/35/56/496223556.db2.gz KECHYYFNYGUTMM-AEFFLSMTSA-N 1 3 366.575 3.114 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000177867258 496232041 /nfs/dbraw/zinc/23/20/41/496232041.db2.gz PRQVPWASUYXNPC-CTNGQTDRSA-N 1 3 372.557 3.115 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000177867258 496232047 /nfs/dbraw/zinc/23/20/47/496232047.db2.gz PRQVPWASUYXNPC-CTNGQTDRSA-N 1 3 372.557 3.115 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181058105 496255796 /nfs/dbraw/zinc/25/57/96/496255796.db2.gz UBNDLBQMNNXGAO-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979760 496274308 /nfs/dbraw/zinc/27/43/08/496274308.db2.gz NOJPVOLDZGJGCE-QGZVFWFLSA-N 1 3 364.497 3.353 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979760 496274314 /nfs/dbraw/zinc/27/43/14/496274314.db2.gz NOJPVOLDZGJGCE-QGZVFWFLSA-N 1 3 364.497 3.353 20 0 FGADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000172431575 496295756 /nfs/dbraw/zinc/29/57/56/496295756.db2.gz SNGVXWCYHCGTHM-KRWDZBQOSA-N 1 3 363.521 3.447 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC000153039376 496333766 /nfs/dbraw/zinc/33/37/66/496333766.db2.gz VOLZZZFIAYNDQC-GOSISDBHSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC000153039376 496333769 /nfs/dbraw/zinc/33/37/69/496333769.db2.gz VOLZZZFIAYNDQC-GOSISDBHSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000175327887 496340666 /nfs/dbraw/zinc/34/06/66/496340666.db2.gz LTUUREQTPBJLGY-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571893792 505840311 /nfs/dbraw/zinc/84/03/11/505840311.db2.gz BQHMOCGAESKOMG-IBGZPJMESA-N 1 3 367.493 3.088 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571893792 505840316 /nfs/dbraw/zinc/84/03/16/505840316.db2.gz BQHMOCGAESKOMG-IBGZPJMESA-N 1 3 367.493 3.088 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C(C)C)C2CCC2)CC1 ZINC000172663964 496378920 /nfs/dbraw/zinc/37/89/20/496378920.db2.gz MCGKNEXXRICEQV-UHFFFAOYSA-N 1 3 357.542 3.339 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)N(C)C)cc1 ZINC000571913302 505845205 /nfs/dbraw/zinc/84/52/05/505845205.db2.gz KDJVYAQHMZSLOR-LPHOPBHVSA-N 1 3 363.571 3.392 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCC[C@H]2CCC[N@@H+]2C)CC1 ZINC000181644071 496483859 /nfs/dbraw/zinc/48/38/59/496483859.db2.gz FSZPLQTXARXGGT-PKOBYXMFSA-N 1 3 362.537 3.103 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCC[C@H]2CCC[N@H+]2C)CC1 ZINC000181644071 496483863 /nfs/dbraw/zinc/48/38/63/496483863.db2.gz FSZPLQTXARXGGT-PKOBYXMFSA-N 1 3 362.537 3.103 20 0 FGADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)s1 ZINC000172984047 496509781 /nfs/dbraw/zinc/50/97/81/496509781.db2.gz MORNZPDGNCVWRE-UHFFFAOYSA-N 1 3 365.587 3.281 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000178698922 496544041 /nfs/dbraw/zinc/54/40/41/496544041.db2.gz MRNUOKXCDBLSNQ-GOSISDBHSA-N 1 3 356.489 3.474 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163790299 496558663 /nfs/dbraw/zinc/55/86/63/496558663.db2.gz UZJHHHXBIHEHHO-KRWDZBQOSA-N 1 3 364.497 3.355 20 0 FGADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000153723618 496559282 /nfs/dbraw/zinc/55/92/82/496559282.db2.gz HTOBUSBXUWOIII-ZDUSSCGKSA-N 1 3 359.308 3.077 20 0 FGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000153723618 496559289 /nfs/dbraw/zinc/55/92/89/496559289.db2.gz HTOBUSBXUWOIII-ZDUSSCGKSA-N 1 3 359.308 3.077 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163816104 496560752 /nfs/dbraw/zinc/56/07/52/496560752.db2.gz LYOYPMLDEKPKHI-LPHOPBHVSA-N 1 3 372.557 3.115 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187765922 496563152 /nfs/dbraw/zinc/56/31/52/496563152.db2.gz MQSKWAYTYITVSY-IBGZPJMESA-N 1 3 363.571 3.239 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855633 496571231 /nfs/dbraw/zinc/57/12/31/496571231.db2.gz FVNMYRJWFJZMAX-SJORKVTESA-N 1 3 352.544 3.395 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855633 496571235 /nfs/dbraw/zinc/57/12/35/496571235.db2.gz FVNMYRJWFJZMAX-SJORKVTESA-N 1 3 352.544 3.395 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)cc1Br ZINC000181874832 496582289 /nfs/dbraw/zinc/58/22/89/496582289.db2.gz MLGUMPAIIPTBFF-ZFWWWQNUSA-N 1 3 373.335 3.465 20 0 FGADHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976509 496606690 /nfs/dbraw/zinc/60/66/90/496606690.db2.gz KUUZBQZJPCHVFG-QRVBRYPASA-N 1 3 363.571 3.012 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000187960003 496631656 /nfs/dbraw/zinc/63/16/56/496631656.db2.gz OZTGZOCRVXKYMN-MOPGFXCFSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187960003 496631663 /nfs/dbraw/zinc/63/16/63/496631663.db2.gz OZTGZOCRVXKYMN-MOPGFXCFSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000158164226 496641320 /nfs/dbraw/zinc/64/13/20/496641320.db2.gz AETBLSPGUUWXEF-QGZVFWFLSA-N 1 3 352.544 3.253 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164995094 496643626 /nfs/dbraw/zinc/64/36/26/496643626.db2.gz AIEHZAPXDYQZBN-OXQOHEQNSA-N 1 3 355.482 3.030 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000185124946 496671446 /nfs/dbraw/zinc/67/14/46/496671446.db2.gz ADBRIHLLIFGVED-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688549 /nfs/dbraw/zinc/68/85/49/496688549.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688554 /nfs/dbraw/zinc/68/85/54/496688554.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 1 3 374.548 3.245 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182274123 496724685 /nfs/dbraw/zinc/72/46/85/496724685.db2.gz SQRCCZXJMJQQMV-ZHRRBRCNSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182274123 496724688 /nfs/dbraw/zinc/72/46/88/496724688.db2.gz SQRCCZXJMJQQMV-ZHRRBRCNSA-N 1 3 367.493 3.062 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000247026877 496757001 /nfs/dbraw/zinc/75/70/01/496757001.db2.gz NHDIJKSOXAQBRU-NJNPRVFISA-N 1 3 359.558 3.226 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247190340 496801673 /nfs/dbraw/zinc/80/16/73/496801673.db2.gz ZYTMLKUIRWAZQU-LNLFQRSKSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247190340 496801675 /nfs/dbraw/zinc/80/16/75/496801675.db2.gz ZYTMLKUIRWAZQU-LNLFQRSKSA-N 1 3 362.537 3.101 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000247190340 496801679 /nfs/dbraw/zinc/80/16/79/496801679.db2.gz ZYTMLKUIRWAZQU-LNLFQRSKSA-N 1 3 362.537 3.101 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000247221896 496808188 /nfs/dbraw/zinc/80/81/88/496808188.db2.gz XQCIYXCDLQCFBG-FEEZOJJESA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000247221896 496808191 /nfs/dbraw/zinc/80/81/91/496808191.db2.gz XQCIYXCDLQCFBG-FEEZOJJESA-N 1 3 359.558 3.114 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000247221896 496808197 /nfs/dbraw/zinc/80/81/97/496808197.db2.gz XQCIYXCDLQCFBG-FEEZOJJESA-N 1 3 359.558 3.114 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940887 496829444 /nfs/dbraw/zinc/82/94/44/496829444.db2.gz SSDPYNHKWGCNDX-PGRDOPGGSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940887 496829450 /nfs/dbraw/zinc/82/94/50/496829450.db2.gz SSDPYNHKWGCNDX-PGRDOPGGSA-N 1 3 361.493 3.268 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4[C@@H]3C)CC2)CC1 ZINC000572011516 505869362 /nfs/dbraw/zinc/86/93/62/505869362.db2.gz CXOGFEMVTMAPNQ-SFHVURJKSA-N 1 3 369.553 3.329 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1)C(C)C ZINC000188651727 496866257 /nfs/dbraw/zinc/86/62/57/496866257.db2.gz TVVKQFVZMISXNJ-UHFFFAOYSA-N 1 3 351.494 3.450 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1)C(C)C ZINC000188651727 496866261 /nfs/dbraw/zinc/86/62/61/496866261.db2.gz TVVKQFVZMISXNJ-UHFFFAOYSA-N 1 3 351.494 3.450 20 0 FGADHO Cc1cc(Cl)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341701 496895649 /nfs/dbraw/zinc/89/56/49/496895649.db2.gz SETKWZBSXCEUBK-UHFFFAOYSA-N 1 3 364.921 3.329 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000248043595 496947695 /nfs/dbraw/zinc/94/76/95/496947695.db2.gz UKAUEDRXJPLGLO-FVJLSDCUSA-N 1 3 361.530 3.433 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000195551824 496949810 /nfs/dbraw/zinc/94/98/10/496949810.db2.gz CCDJEUQRKKAFNH-WIYYLYMNSA-N 1 3 374.573 3.273 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074725 496953398 /nfs/dbraw/zinc/95/33/98/496953398.db2.gz QXKCZTLTOSSMTP-PCCBWWKXSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(CCCOCCc3ccccc3)CC2)CC1 ZINC000269684773 496989661 /nfs/dbraw/zinc/98/96/61/496989661.db2.gz UTQXNAOUGVBHBC-UHFFFAOYSA-N 1 3 373.585 3.126 20 0 FGADHO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391529 496992328 /nfs/dbraw/zinc/99/23/28/496992328.db2.gz CKEXFZUTTFGBBO-YMPZKCBVSA-N 1 3 366.553 3.470 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000248430305 497008379 /nfs/dbraw/zinc/00/83/79/497008379.db2.gz BPEJVMKONJSOFQ-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000248430305 497008382 /nfs/dbraw/zinc/00/83/82/497008382.db2.gz BPEJVMKONJSOFQ-REWPJTCUSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000278180448 497029479 /nfs/dbraw/zinc/02/94/79/497029479.db2.gz BLSYKZBIPRAEOI-ZDUSSCGKSA-N 1 3 366.399 3.195 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189187215 497037393 /nfs/dbraw/zinc/03/73/93/497037393.db2.gz AQLFYDZZSCRRTB-AZUAARDMSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H](NCCC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189187215 497037400 /nfs/dbraw/zinc/03/74/00/497037400.db2.gz AQLFYDZZSCRRTB-AZUAARDMSA-N 1 3 369.553 3.204 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000189187215 497037404 /nfs/dbraw/zinc/03/74/04/497037404.db2.gz AQLFYDZZSCRRTB-AZUAARDMSA-N 1 3 369.553 3.204 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911189 505881620 /nfs/dbraw/zinc/88/16/20/505881620.db2.gz MOJJWFMXUVKHNC-DAESXHAQSA-N 1 3 356.489 3.032 20 0 FGADHO OCC[C@@H](NCCCCCC[NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000274417380 497093270 /nfs/dbraw/zinc/09/32/70/497093270.db2.gz NKKVYVIBCKRFGB-QZTJIDSGSA-N 1 3 364.486 3.159 20 0 FGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229712 505884472 /nfs/dbraw/zinc/88/44/72/505884472.db2.gz MZNQWZGDKCNKTL-CZUORRHYSA-N 1 3 353.388 3.071 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405021 497103396 /nfs/dbraw/zinc/10/33/96/497103396.db2.gz DUVQTNRGGZBMFN-IRXDYDNUSA-N 1 3 374.529 3.122 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405021 497103402 /nfs/dbraw/zinc/10/34/02/497103402.db2.gz DUVQTNRGGZBMFN-IRXDYDNUSA-N 1 3 374.529 3.122 20 0 FGADHO CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236681535 497132198 /nfs/dbraw/zinc/13/21/98/497132198.db2.gz IVPUEAIWXOAGDM-XMSQKQJNSA-N 1 3 371.569 3.211 20 0 FGADHO CC[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236960368 497173624 /nfs/dbraw/zinc/17/36/24/497173624.db2.gz DASZNZAOKZFXOC-SFTDATJTSA-N 1 3 351.494 3.030 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000249213378 497181546 /nfs/dbraw/zinc/18/15/46/497181546.db2.gz ZAOOYBFBWIMFTH-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249213378 497181549 /nfs/dbraw/zinc/18/15/49/497181549.db2.gz ZAOOYBFBWIMFTH-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249213378 497181551 /nfs/dbraw/zinc/18/15/51/497181551.db2.gz ZAOOYBFBWIMFTH-KAOXLYBCSA-N 1 3 350.506 3.090 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000249388397 497196147 /nfs/dbraw/zinc/19/61/47/497196147.db2.gz RMZOKLFFZADAAG-YPGOJHLTSA-N 1 3 369.553 3.037 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1Cl ZINC000237197073 497203195 /nfs/dbraw/zinc/20/31/95/497203195.db2.gz BHSQSBPNQXQTSQ-QGZVFWFLSA-N 1 3 361.873 3.309 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000249749055 497242465 /nfs/dbraw/zinc/24/24/65/497242465.db2.gz PNCKPWKXPNRVMJ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000249749055 497242472 /nfs/dbraw/zinc/24/24/72/497242472.db2.gz PNCKPWKXPNRVMJ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237560648 497256234 /nfs/dbraw/zinc/25/62/34/497256234.db2.gz MSYPELXEMJVJAZ-IEBWSBKVSA-N 1 3 373.541 3.434 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000193003864 497272031 /nfs/dbraw/zinc/27/20/31/497272031.db2.gz SNFOOXQEXCTZDJ-IFMALSPDSA-N 1 3 359.558 3.160 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238029780 497330009 /nfs/dbraw/zinc/33/00/09/497330009.db2.gz YCFANYNJZIFPAJ-QMMLZNLJSA-N 1 3 355.526 3.209 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529113 497373903 /nfs/dbraw/zinc/37/39/03/497373903.db2.gz QRQLAYFWMOVUTL-XKQJLSEDSA-N 1 3 354.441 3.316 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529106 497374501 /nfs/dbraw/zinc/37/45/01/497374501.db2.gz QRQLAYFWMOVUTL-IAOVAPTHSA-N 1 3 354.441 3.316 20 0 FGADHO C[C@H](NC(=O)C[C@@H](N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261573983 497416032 /nfs/dbraw/zinc/41/60/32/497416032.db2.gz AXSSDISZINDFGF-DZFGPLHGSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H](NC(=O)C[C@@H](N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573983 497416034 /nfs/dbraw/zinc/41/60/34/497416034.db2.gz AXSSDISZINDFGF-DZFGPLHGSA-N 1 3 351.494 3.103 20 0 FGADHO CN1CCC(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000266837815 497428239 /nfs/dbraw/zinc/42/82/39/497428239.db2.gz MOYVEZASEQJUEP-UHFFFAOYSA-N 1 3 371.569 3.179 20 0 FGADHO CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261677033 497431039 /nfs/dbraw/zinc/43/10/39/497431039.db2.gz BCOSEIXRQKQMIZ-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO COc1cccc(C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000245567516 497459748 /nfs/dbraw/zinc/45/97/48/497459748.db2.gz XSAJZDIRZAMSAE-KGVIQGDOSA-N 1 3 360.542 3.495 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245666724 497494221 /nfs/dbraw/zinc/49/42/21/497494221.db2.gz DWXIFLWGKHIVEZ-FXAWDEMLSA-N 1 3 360.546 3.153 20 0 FGADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)cc1Cl ZINC000279643302 497494926 /nfs/dbraw/zinc/49/49/26/497494926.db2.gz DDEVQVSDBCBYPH-UHFFFAOYSA-N 1 3 363.933 3.245 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000262139298 497514975 /nfs/dbraw/zinc/51/49/75/497514975.db2.gz LQFJOUKNDVQILU-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000262139298 497514978 /nfs/dbraw/zinc/51/49/78/497514978.db2.gz LQFJOUKNDVQILU-PGRDOPGGSA-N 1 3 365.521 3.247 20 0 FGADHO CC(C)(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236938 497528241 /nfs/dbraw/zinc/52/82/41/497528241.db2.gz OQOPDPURJWHSPL-RDJZCZTQSA-N 1 3 363.571 3.126 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(Br)cs1 ZINC000193965763 497534464 /nfs/dbraw/zinc/53/44/64/497534464.db2.gz IITTXRAISJNRCI-GFCCVEGCSA-N 1 3 360.365 3.187 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262354622 497543836 /nfs/dbraw/zinc/54/38/36/497543836.db2.gz UVJLHJSUBTZJHM-MQYPRSKASA-N 1 3 369.553 3.482 20 0 FGADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022484 497550797 /nfs/dbraw/zinc/55/07/97/497550797.db2.gz XTSJLGMJHIWRGA-DXBBTUNJSA-N 1 3 354.538 3.488 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262631499 497587451 /nfs/dbraw/zinc/58/74/51/497587451.db2.gz FLCPAVBBKZZZER-XCDJFROHSA-N 1 3 355.526 3.076 20 0 FGADHO CN(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000272467429 497636856 /nfs/dbraw/zinc/63/68/56/497636856.db2.gz ZUVIUEGWZWIPTE-MXEMCNAFSA-N 1 3 359.583 3.209 20 0 FGADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000272538774 497655574 /nfs/dbraw/zinc/65/55/74/497655574.db2.gz CEYSSPCXFHLFDO-APWZRJJASA-N 1 3 370.493 3.410 20 0 FGADHO CC[NH+](CC)CCSCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000262974130 497670474 /nfs/dbraw/zinc/67/04/74/497670474.db2.gz MARKYYSVYMEOAG-UHFFFAOYSA-N 1 3 363.449 3.178 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317928 497693481 /nfs/dbraw/zinc/69/34/81/497693481.db2.gz MQEZZGARMJJWIN-YZGWKJHDSA-N 1 3 360.546 3.051 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317928 497693487 /nfs/dbraw/zinc/69/34/87/497693487.db2.gz MQEZZGARMJJWIN-YZGWKJHDSA-N 1 3 360.546 3.051 20 0 FGADHO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272695454 497703860 /nfs/dbraw/zinc/70/38/60/497703860.db2.gz WYNPOTABAQXYOO-QUCCMNQESA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H](NCCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695454 497703866 /nfs/dbraw/zinc/70/38/66/497703866.db2.gz WYNPOTABAQXYOO-QUCCMNQESA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H](NCCc1nnc2n1CCCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695454 497703870 /nfs/dbraw/zinc/70/38/70/497703870.db2.gz WYNPOTABAQXYOO-QUCCMNQESA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272695453 497704496 /nfs/dbraw/zinc/70/44/96/497704496.db2.gz WYNPOTABAQXYOO-ICSRJNTNSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H](NCCc1nnc2n1CCCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272695453 497704498 /nfs/dbraw/zinc/70/44/98/497704498.db2.gz WYNPOTABAQXYOO-ICSRJNTNSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@H](NCCc1nnc2n1CCCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695453 497704501 /nfs/dbraw/zinc/70/45/01/497704501.db2.gz WYNPOTABAQXYOO-ICSRJNTNSA-N 1 3 367.541 3.047 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)N1Cc1cccc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159036 497728124 /nfs/dbraw/zinc/72/81/24/497728124.db2.gz KYCGOZJJIXMIQK-SHFBKJGYSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)N1Cc1cccc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159036 497728129 /nfs/dbraw/zinc/72/81/29/497728129.db2.gz KYCGOZJJIXMIQK-SHFBKJGYSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000246421379 497730074 /nfs/dbraw/zinc/73/00/74/497730074.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 1 3 372.509 3.142 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000246421379 497730080 /nfs/dbraw/zinc/73/00/80/497730080.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 1 3 372.509 3.142 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444631 497736238 /nfs/dbraw/zinc/73/62/38/497736238.db2.gz OUAQAIAZYQUKQE-SJBKTWHCSA-N 1 3 358.574 3.250 20 0 FGADHO CCOc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000268457054 497755863 /nfs/dbraw/zinc/75/58/63/497755863.db2.gz YEEVMROBOJIQHM-UHFFFAOYSA-N 1 3 372.456 3.012 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000246542538 497769798 /nfs/dbraw/zinc/76/97/98/497769798.db2.gz WPGDUCOQZKDVNZ-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000246542538 497769799 /nfs/dbraw/zinc/76/97/99/497769799.db2.gz WPGDUCOQZKDVNZ-JBACZVJFSA-N 1 3 372.557 3.023 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868234 497930043 /nfs/dbraw/zinc/93/00/43/497930043.db2.gz NONOYGBGTXAUGL-QHCPKHFHSA-N 1 3 364.537 3.460 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000578521691 505960067 /nfs/dbraw/zinc/96/00/67/505960067.db2.gz INJOLLYVGCSSBC-NRFANRHFSA-N 1 3 356.510 3.290 20 0 FGADHO COc1ncccc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000569653946 505985077 /nfs/dbraw/zinc/98/50/77/505985077.db2.gz WLPZGVQYIJHXQH-QHAWAJNXSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000569653946 505985078 /nfs/dbraw/zinc/98/50/78/505985078.db2.gz WLPZGVQYIJHXQH-QHAWAJNXSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000569653946 505985079 /nfs/dbraw/zinc/98/50/79/505985079.db2.gz WLPZGVQYIJHXQH-QHAWAJNXSA-N 1 3 351.494 3.133 20 0 FGADHO CN1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159138 /nfs/dbraw/zinc/15/91/38/498159138.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 1 3 373.504 3.462 20 0 FGADHO CN1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159141 /nfs/dbraw/zinc/15/91/41/498159141.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 1 3 373.504 3.462 20 0 FGADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)s1 ZINC000578698782 505999747 /nfs/dbraw/zinc/99/97/47/505999747.db2.gz JEXLXKZUABKUDQ-UHFFFAOYSA-N 1 3 363.571 3.179 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4c(cn3)CCCC4)CC2)CC1 ZINC000575813730 506011273 /nfs/dbraw/zinc/01/12/73/506011273.db2.gz AFNYLLZXCSQUBQ-UHFFFAOYSA-N 1 3 370.541 3.095 20 0 FGADHO CN1CCC(O)(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286214827 498327208 /nfs/dbraw/zinc/32/72/08/498327208.db2.gz SDGASNBQBHXNNJ-MRXNPFEDSA-N 1 3 358.404 3.083 20 0 FGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)CC3 ZINC000361069006 498340903 /nfs/dbraw/zinc/34/09/03/498340903.db2.gz RPOMJWSQNLUUES-ZWKOTPCHSA-N 1 3 366.553 3.092 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000365273123 498381892 /nfs/dbraw/zinc/38/18/92/498381892.db2.gz YSPTUYOPCINNJR-STZQEDGTSA-N 1 3 368.525 3.160 20 0 FGADHO Cc1cc(-n2ccnc2)ccc1CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000365273123 498381899 /nfs/dbraw/zinc/38/18/99/498381899.db2.gz YSPTUYOPCINNJR-STZQEDGTSA-N 1 3 368.525 3.160 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccsc1 ZINC000581605257 506026937 /nfs/dbraw/zinc/02/69/37/506026937.db2.gz UYWATYNECOZIAH-FPOVZHCZSA-N 1 3 371.550 3.179 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000569878753 506036809 /nfs/dbraw/zinc/03/68/09/506036809.db2.gz JRUKKBWHQIOBQT-LAUBAEHRSA-N 1 3 353.510 3.478 20 0 FGADHO C[C@H](CCc1ccc(O)cc1)NCc1ccncc1OCCC[NH+](C)C ZINC000290223847 498472765 /nfs/dbraw/zinc/47/27/65/498472765.db2.gz SBKLKMXJNDWYNY-QGZVFWFLSA-N 1 3 357.498 3.229 20 0 FGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000293744185 498475341 /nfs/dbraw/zinc/47/53/41/498475341.db2.gz XMOLWAMKQDVVKI-QGZVFWFLSA-N 1 3 354.494 3.070 20 0 FGADHO C[N@H+](CCOc1ccc(Cl)cc1)C1CCN(C2CCOCC2)CC1 ZINC000362423793 498514972 /nfs/dbraw/zinc/51/49/72/498514972.db2.gz BYPAKRLHFJBOFK-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO C[N@@H+](CCOc1ccc(Cl)cc1)C1CCN(C2CCOCC2)CC1 ZINC000362423793 498514979 /nfs/dbraw/zinc/51/49/79/498514979.db2.gz BYPAKRLHFJBOFK-UHFFFAOYSA-N 1 3 352.906 3.294 20 0 FGADHO COCCC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448317 498516950 /nfs/dbraw/zinc/51/69/50/498516950.db2.gz UYFDDVOELLLRFR-PXNSSMCTSA-N 1 3 352.494 3.384 20 0 FGADHO COCCC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448317 498516957 /nfs/dbraw/zinc/51/69/57/498516957.db2.gz UYFDDVOELLLRFR-PXNSSMCTSA-N 1 3 352.494 3.384 20 0 FGADHO Cc1oc(-c2cccs2)nc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486173 498523070 /nfs/dbraw/zinc/52/30/70/498523070.db2.gz KMTUAZUAXRLGCH-QGZVFWFLSA-N 1 3 374.554 3.312 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473118 498525786 /nfs/dbraw/zinc/52/57/86/498525786.db2.gz UVDCAVZDNAKRMX-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293947207 498542230 /nfs/dbraw/zinc/54/22/30/498542230.db2.gz ZAWXGWXGGCHMLF-AWEZNQCLSA-N 1 3 372.376 3.114 20 0 FGADHO COc1ccc(OC)c(CCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297723176 498547447 /nfs/dbraw/zinc/54/74/47/498547447.db2.gz RYUHTWWKSUTHOJ-UHFFFAOYSA-N 1 3 355.482 3.290 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000293973799 498549536 /nfs/dbraw/zinc/54/95/36/498549536.db2.gz RAVRAIFATARJCN-UHFFFAOYSA-N 1 3 357.542 3.281 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000576002618 506053675 /nfs/dbraw/zinc/05/36/75/506053675.db2.gz ZWURVFBCTYRJHE-TZIWHRDSSA-N 1 3 361.574 3.125 20 0 FGADHO COCCCn1nccc1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000282594021 498573302 /nfs/dbraw/zinc/57/33/02/498573302.db2.gz HFXQMZZAXYBQQE-OALUTQOASA-N 1 3 370.541 3.166 20 0 FGADHO Cn1cc([C@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)cn1 ZINC000297816723 498576965 /nfs/dbraw/zinc/57/69/65/498576965.db2.gz YPSGZHNKSLPNTO-OAQYLSRUSA-N 1 3 365.456 3.302 20 0 FGADHO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294342564 498663499 /nfs/dbraw/zinc/66/34/99/498663499.db2.gz YQPQGGAJWCYJQL-KRWDZBQOSA-N 1 3 366.509 3.369 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000303434845 498673831 /nfs/dbraw/zinc/67/38/31/498673831.db2.gz DFICZRZCLCIZQF-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298164061 498681586 /nfs/dbraw/zinc/68/15/86/498681586.db2.gz STJZQPMIADULPT-UHFFFAOYSA-N 1 3 372.513 3.207 20 0 FGADHO C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303503204 498683116 /nfs/dbraw/zinc/68/31/16/498683116.db2.gz VJTWWJKDKCWUQV-VAMGGRTRSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)Oc1ccc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298372261 498748120 /nfs/dbraw/zinc/74/81/20/498748120.db2.gz KSWNXDGQTQYDMD-OAQYLSRUSA-N 1 3 355.482 3.161 20 0 FGADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312592131 498761918 /nfs/dbraw/zinc/76/19/18/498761918.db2.gz XDHWKAMZKOAMCI-BAGYTPMASA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592131 498761922 /nfs/dbraw/zinc/76/19/22/498761922.db2.gz XDHWKAMZKOAMCI-BAGYTPMASA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592131 498761928 /nfs/dbraw/zinc/76/19/28/498761928.db2.gz XDHWKAMZKOAMCI-BAGYTPMASA-N 1 3 368.521 3.235 20 0 FGADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597027 498762135 /nfs/dbraw/zinc/76/21/35/498762135.db2.gz XRGHWPRUDFDJLI-VQIMIIECSA-N 1 3 368.477 3.424 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366088531 498769143 /nfs/dbraw/zinc/76/91/43/498769143.db2.gz JJUWAWXORPHFQK-PKOBYXMFSA-N 1 3 356.514 3.177 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000283302464 498845690 /nfs/dbraw/zinc/84/56/90/498845690.db2.gz NKKVMTLCVKFXSU-INIZCTEOSA-N 1 3 355.473 3.355 20 0 FGADHO CN1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331377 498877585 /nfs/dbraw/zinc/87/75/85/498877585.db2.gz VREHVSDIWKFYJW-MJGOQNOKSA-N 1 3 357.885 3.222 20 0 FGADHO COc1cccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000298881276 498905874 /nfs/dbraw/zinc/90/58/74/498905874.db2.gz KESXZMJLZNDWEA-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881276 498905880 /nfs/dbraw/zinc/90/58/80/498905880.db2.gz KESXZMJLZNDWEA-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000298881276 498905886 /nfs/dbraw/zinc/90/58/86/498905886.db2.gz KESXZMJLZNDWEA-SJORKVTESA-N 1 3 359.514 3.266 20 0 FGADHO O=C(Nc1cccc2c1CCNC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570184003 506110383 /nfs/dbraw/zinc/11/03/83/506110383.db2.gz JBLSMENZXMOOAS-GOSISDBHSA-N 1 3 370.541 3.452 20 0 FGADHO CC(=O)Nc1ccccc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283939518 499017385 /nfs/dbraw/zinc/01/73/85/499017385.db2.gz JQIVEXWHTRKBQA-UHFFFAOYSA-N 1 3 367.493 3.408 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CCN([C@H]4CCC[C@H](C)C4)CC3)O2)n1 ZINC000333528726 499024333 /nfs/dbraw/zinc/02/43/33/499024333.db2.gz XRVUAJIDMVSBQS-FZDIXFNVSA-N 1 3 362.518 3.231 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccc(F)cc2C1 ZINC000366731545 499052616 /nfs/dbraw/zinc/05/26/16/499052616.db2.gz GJXQNLKGHGIKTH-HXUWFJFHSA-N 1 3 361.505 3.331 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284352007 499093718 /nfs/dbraw/zinc/09/37/18/499093718.db2.gz MIDVCUWNVNJQJQ-QHAWAJNXSA-N 1 3 356.510 3.207 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358080 499094908 /nfs/dbraw/zinc/09/49/08/499094908.db2.gz NQJYXRYCQVOFKC-STZQEDGTSA-N 1 3 359.558 3.195 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046346 499098459 /nfs/dbraw/zinc/09/84/59/499098459.db2.gz BZKMIGMDQHFWQF-XWPNQZOQSA-N 1 3 366.933 3.027 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046346 499098461 /nfs/dbraw/zinc/09/84/61/499098461.db2.gz BZKMIGMDQHFWQF-XWPNQZOQSA-N 1 3 366.933 3.027 20 0 FGADHO COc1cccc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)c1F ZINC000367056895 499141159 /nfs/dbraw/zinc/14/11/59/499141159.db2.gz CVAZOWWLDOJHQL-UHFFFAOYSA-N 1 3 363.521 3.120 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367611326 499217560 /nfs/dbraw/zinc/21/75/60/499217560.db2.gz BQMSNTYGXAQPPV-CEXWTWQISA-N 1 3 353.466 3.494 20 0 FGADHO CCCCc1nc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367616459 499218199 /nfs/dbraw/zinc/21/81/99/499218199.db2.gz GXOHDVDJOISVNN-GOSISDBHSA-N 1 3 350.576 3.086 20 0 FGADHO CN(Cc1cc(F)cc2c1OCOC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883619 499241675 /nfs/dbraw/zinc/24/16/75/499241675.db2.gz CCVWAOJQYSJKRE-UHFFFAOYSA-N 1 3 371.456 3.436 20 0 FGADHO [NH3+]CCCCCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370762772 499252379 /nfs/dbraw/zinc/25/23/79/499252379.db2.gz ASONGYJZZYRGJQ-QFIPXVFZSA-N 1 3 357.542 3.410 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1)C1CCN(C)CC1 ZINC000368557661 499307224 /nfs/dbraw/zinc/30/72/24/499307224.db2.gz PZQIJNIMBMLFKQ-RBUKOAKNSA-N 1 3 359.558 3.105 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371593195 499345491 /nfs/dbraw/zinc/34/54/91/499345491.db2.gz RVWUZQFLRZUFKX-JOCHJYFZSA-N 1 3 369.553 3.376 20 0 FGADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCN(c2ccncc2)CC1 ZINC000368955750 499350565 /nfs/dbraw/zinc/35/05/65/499350565.db2.gz WYCIMAKGNPJZRT-UHFFFAOYSA-N 1 3 373.545 3.001 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000369062952 499361598 /nfs/dbraw/zinc/36/15/98/499361598.db2.gz IOEUBRDIMIEQAO-AQNXPRMDSA-N 1 3 356.558 3.174 20 0 FGADHO CN(CCCc1ccc2c(c1)CCO2)C1CC[NH+](C2CCOCC2)CC1 ZINC000369151651 499371365 /nfs/dbraw/zinc/37/13/65/499371365.db2.gz GLBDFUCPTMRHIF-UHFFFAOYSA-N 1 3 358.526 3.129 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(c2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)CC1 ZINC000371975189 499385839 /nfs/dbraw/zinc/38/58/39/499385839.db2.gz VQPKPFCUNCHDQV-AYHJJNSGSA-N 1 3 367.497 3.497 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000371986403 499387114 /nfs/dbraw/zinc/38/71/14/499387114.db2.gz ZMGVQLVVQOOWEY-JRGCBEDISA-N 1 3 373.541 3.260 20 0 FGADHO CC(C)C(=O)Nc1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000371986403 499387116 /nfs/dbraw/zinc/38/71/16/499387116.db2.gz ZMGVQLVVQOOWEY-JRGCBEDISA-N 1 3 373.541 3.260 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000372060805 499394697 /nfs/dbraw/zinc/39/46/97/499394697.db2.gz MGHUVEINFYMUSX-UHFFFAOYSA-N 1 3 370.541 3.083 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000369732959 499439560 /nfs/dbraw/zinc/43/95/60/499439560.db2.gz SVFBGJWQDVHRKT-CBNMVNINSA-N 1 3 370.541 3.140 20 0 FGADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378490298 499523390 /nfs/dbraw/zinc/52/33/90/499523390.db2.gz DKZLRKBMFZJVCE-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490298 499523392 /nfs/dbraw/zinc/52/33/92/499523392.db2.gz DKZLRKBMFZJVCE-AVRDEDQJSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@](O)(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211025 499548893 /nfs/dbraw/zinc/54/88/93/499548893.db2.gz MVUFLVDQAMEBDI-KRWDZBQOSA-N 1 3 356.432 3.288 20 0 FGADHO C(=C/C[N@@H+]1CCCC2(CCOCC2)C1)\CN1CCCC2(CCOCC2)C1 ZINC000375891995 499565497 /nfs/dbraw/zinc/56/54/97/499565497.db2.gz SPQCHBLAKYQMAV-OWOJBTEDSA-N 1 3 362.558 3.328 20 0 FGADHO C(=C/C[N@H+]1CCCC2(CCOCC2)C1)\CN1CCCC2(CCOCC2)C1 ZINC000375891995 499565499 /nfs/dbraw/zinc/56/54/99/499565499.db2.gz SPQCHBLAKYQMAV-OWOJBTEDSA-N 1 3 362.558 3.328 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000410349446 499656895 /nfs/dbraw/zinc/65/68/95/499656895.db2.gz PVVQECGDUZCFHX-OALUTQOASA-N 1 3 352.563 3.405 20 0 FGADHO C[C@H](NC(=O)N1CCC([NH2+]C2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000377266321 499675378 /nfs/dbraw/zinc/67/53/78/499675378.db2.gz PZUFYOJFZHJASX-UWJYYQICSA-N 1 3 372.557 3.384 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307404 499678516 /nfs/dbraw/zinc/67/85/16/499678516.db2.gz IOTBCMVOHVLUNK-XLIONFOSSA-N 1 3 353.510 3.136 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307404 499678517 /nfs/dbraw/zinc/67/85/17/499678517.db2.gz IOTBCMVOHVLUNK-XLIONFOSSA-N 1 3 353.510 3.136 20 0 FGADHO C[C@H]1CN(C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194431 499709434 /nfs/dbraw/zinc/70/94/34/499709434.db2.gz UOSBBIXIRSZRFY-FQEVSTJZSA-N 1 3 371.569 3.358 20 0 FGADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618130 499710884 /nfs/dbraw/zinc/71/08/84/499710884.db2.gz BKKORSDVAWRKEF-IBGZPJMESA-N 1 3 353.510 3.406 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740572 /nfs/dbraw/zinc/74/05/72/499740572.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740574 /nfs/dbraw/zinc/74/05/74/499740574.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 1 3 351.535 3.050 20 0 FGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414182377 499766751 /nfs/dbraw/zinc/76/67/51/499766751.db2.gz DEFCBRNVGKLVFI-QFIPXVFZSA-N 1 3 373.585 3.030 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2ccccc2c1 ZINC000414202611 499768001 /nfs/dbraw/zinc/76/80/01/499768001.db2.gz UKPQQWWIXHEVNF-LJQANCHMSA-N 1 3 367.537 3.287 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000414253187 499771743 /nfs/dbraw/zinc/77/17/43/499771743.db2.gz IDNRMNPDHVWFDH-UHFFFAOYSA-N 1 3 360.608 3.469 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000576440536 506158907 /nfs/dbraw/zinc/15/89/07/506158907.db2.gz RAIMPKQHXMERSG-QZTJIDSGSA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000576440536 506158910 /nfs/dbraw/zinc/15/89/10/506158910.db2.gz RAIMPKQHXMERSG-QZTJIDSGSA-N 1 3 360.546 3.240 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000414324930 499777958 /nfs/dbraw/zinc/77/79/58/499777958.db2.gz LGERWZFMDKAWGB-RTWAWAEBSA-N 1 3 355.526 3.052 20 0 FGADHO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785382 499790390 /nfs/dbraw/zinc/79/03/90/499790390.db2.gz JRVBQLZJLVXRLG-BDTNDASRSA-N 1 3 358.526 3.034 20 0 FGADHO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411785382 499790392 /nfs/dbraw/zinc/79/03/92/499790392.db2.gz JRVBQLZJLVXRLG-BDTNDASRSA-N 1 3 358.526 3.034 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC000414559635 499808976 /nfs/dbraw/zinc/80/89/76/499808976.db2.gz VIPPKVHKZKNRKF-UHFFFAOYSA-N 1 3 357.542 3.444 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412013354 499812816 /nfs/dbraw/zinc/81/28/16/499812816.db2.gz NVQRMPDLQGTLPY-JOCHJYFZSA-N 1 3 371.569 3.256 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412013354 499812818 /nfs/dbraw/zinc/81/28/18/499812818.db2.gz NVQRMPDLQGTLPY-JOCHJYFZSA-N 1 3 371.569 3.256 20 0 FGADHO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708958 499821724 /nfs/dbraw/zinc/82/17/24/499821724.db2.gz QQIIQQHPLLMQGS-OAQYLSRUSA-N 1 3 365.521 3.195 20 0 FGADHO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414708958 499821726 /nfs/dbraw/zinc/82/17/26/499821726.db2.gz QQIIQQHPLLMQGS-OAQYLSRUSA-N 1 3 365.521 3.195 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000414779078 499830090 /nfs/dbraw/zinc/83/00/90/499830090.db2.gz HHZKWHVZRVCHOV-RTWAWAEBSA-N 1 3 355.457 3.216 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414795267 499831799 /nfs/dbraw/zinc/83/17/99/499831799.db2.gz GKOSYEVXFJPUOL-GUTXKFCHSA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414795267 499831800 /nfs/dbraw/zinc/83/18/00/499831800.db2.gz GKOSYEVXFJPUOL-GUTXKFCHSA-N 1 3 353.894 3.173 20 0 FGADHO CCOc1c(Br)cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800891 499832703 /nfs/dbraw/zinc/83/27/03/499832703.db2.gz LOCRFURECFUGNP-HIFRSBDPSA-N 1 3 371.319 3.464 20 0 FGADHO CCCC[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813846 499833780 /nfs/dbraw/zinc/83/37/80/499833780.db2.gz MZSIJLZCSXZPPD-SWLSCSKDSA-N 1 3 356.308 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916702 499844361 /nfs/dbraw/zinc/84/43/61/499844361.db2.gz QDOQADNNXKQNCY-DYVFJYSZSA-N 1 3 373.419 3.282 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414916702 499844362 /nfs/dbraw/zinc/84/43/62/499844362.db2.gz QDOQADNNXKQNCY-DYVFJYSZSA-N 1 3 373.419 3.282 20 0 FGADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412343319 499846839 /nfs/dbraw/zinc/84/68/39/499846839.db2.gz ICFYJNSDYSLXPR-GHTZIAJQSA-N 1 3 355.526 3.371 20 0 FGADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414994710 499852557 /nfs/dbraw/zinc/85/25/57/499852557.db2.gz MLPGCQRRUQNDJA-YPMHNXCESA-N 1 3 357.292 3.073 20 0 FGADHO C[C@H](CCCC[NH3+])NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000415021427 499855567 /nfs/dbraw/zinc/85/55/67/499855567.db2.gz YOLITIZERJWUGK-GFCCVEGCSA-N 1 3 351.292 3.446 20 0 FGADHO Brc1cccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415080776 499861460 /nfs/dbraw/zinc/86/14/60/499861460.db2.gz MANCCIYOECGNII-BRWVUGGUSA-N 1 3 353.304 3.338 20 0 FGADHO C[C@@H](NC1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000415100731 499863637 /nfs/dbraw/zinc/86/36/37/499863637.db2.gz HDBIVQWRACMAEP-GWMXKSKGSA-N 1 3 365.275 3.420 20 0 FGADHO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415107237 499864680 /nfs/dbraw/zinc/86/46/80/499864680.db2.gz NNYACGMBEXXCBR-WMLDXEAASA-N 1 3 371.447 3.334 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c(F)cccc3N3CCCC3)CC2)C1 ZINC000415124686 499866976 /nfs/dbraw/zinc/86/69/76/499866976.db2.gz NAQUIXNLIAWIRH-LAUBAEHRSA-N 1 3 361.505 3.144 20 0 FGADHO C[C@@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133348 499868571 /nfs/dbraw/zinc/86/85/71/499868571.db2.gz VBXYAQQZSQMUOW-HIFRSBDPSA-N 1 3 352.404 3.308 20 0 FGADHO CCOc1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415140406 499869510 /nfs/dbraw/zinc/86/95/10/499869510.db2.gz ZDQLRXIOWCQYMS-UHFFFAOYSA-N 1 3 353.510 3.168 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000415901435 499926297 /nfs/dbraw/zinc/92/62/97/499926297.db2.gz NEOVEYDKANBUQQ-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000415913633 499927698 /nfs/dbraw/zinc/92/76/98/499927698.db2.gz QBTSJRDWLQCZNT-APWZRJJASA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000415994868 499938723 /nfs/dbraw/zinc/93/87/23/499938723.db2.gz WMRMMJYVLMDTOA-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1 ZINC000416006061 499940199 /nfs/dbraw/zinc/94/01/99/499940199.db2.gz JHKPQEYKIIUMTR-UHFFFAOYSA-N 1 3 370.497 3.010 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416201216 499979196 /nfs/dbraw/zinc/97/91/96/499979196.db2.gz RKAWZEHNVOGROD-HFSMHLIXSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201216 499979198 /nfs/dbraw/zinc/97/91/98/499979198.db2.gz RKAWZEHNVOGROD-HFSMHLIXSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079776 500000027 /nfs/dbraw/zinc/00/00/27/500000027.db2.gz BFMXWCPXZXJNTP-AXIYNFMDSA-N 1 3 372.557 3.242 20 0 FGADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417212996 500006872 /nfs/dbraw/zinc/00/68/72/500006872.db2.gz IMTQHDQZNLTSHN-CTNGQTDRSA-N 1 3 372.557 3.101 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417292339 500030449 /nfs/dbraw/zinc/03/04/49/500030449.db2.gz CHZUNQOEDUIRRM-CJNGLKHVSA-N 1 3 374.451 3.125 20 0 FGADHO Cc1cnccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000582281770 506175124 /nfs/dbraw/zinc/17/51/24/506175124.db2.gz IUCSKGJYPCOPIF-QFIPXVFZSA-N 1 3 365.521 3.408 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429514795 500091449 /nfs/dbraw/zinc/09/14/49/500091449.db2.gz AJRLELDWBMOPSV-LJQANCHMSA-N 1 3 359.558 3.261 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000416795427 500122710 /nfs/dbraw/zinc/12/27/10/500122710.db2.gz SWZPCEHSQKINMS-QGZVFWFLSA-N 1 3 366.509 3.170 20 0 FGADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C1CC[NH2+]CC1 ZINC000416849597 500137811 /nfs/dbraw/zinc/13/78/11/500137811.db2.gz YFXBHUNVRPWSMQ-HXUWFJFHSA-N 1 3 360.546 3.025 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000416895222 500149470 /nfs/dbraw/zinc/14/94/70/500149470.db2.gz SOXYJOFHIADJLH-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000417704751 500153080 /nfs/dbraw/zinc/15/30/80/500153080.db2.gz MOYLZUWGBNLRLR-QGZVFWFLSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000417826113 500179609 /nfs/dbraw/zinc/17/96/09/500179609.db2.gz MHMWGQZPWVWXBO-IBGZPJMESA-N 1 3 368.525 3.068 20 0 FGADHO C[C@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)N(C)Cc1ccccc1 ZINC000417934494 500200694 /nfs/dbraw/zinc/20/06/94/500200694.db2.gz FNFAFECGLGDHHK-GOSISDBHSA-N 1 3 353.510 3.389 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217858 500210907 /nfs/dbraw/zinc/21/09/07/500210907.db2.gz LOHNUQXCLWBBBE-NRFANRHFSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217858 500210910 /nfs/dbraw/zinc/21/09/10/500210910.db2.gz LOHNUQXCLWBBBE-NRFANRHFSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000570502727 506182822 /nfs/dbraw/zinc/18/28/22/506182822.db2.gz NRUCEDUBWQIOAQ-GOSISDBHSA-N 1 3 355.530 3.423 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N(C)C)cc1 ZINC000422143432 500219670 /nfs/dbraw/zinc/21/96/70/500219670.db2.gz PORXESIALFMZDB-MHJFOBGBSA-N 1 3 360.546 3.024 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185258 500244832 /nfs/dbraw/zinc/24/48/32/500244832.db2.gz QWTOEIQTTBQELV-QILLFSRXSA-N 1 3 366.937 3.102 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH2+]C)C2)N(CC)CC)cc1 ZINC000418209813 500249933 /nfs/dbraw/zinc/24/99/33/500249933.db2.gz FXBCVFFLNVRLMT-TZIWHRDSSA-N 1 3 374.573 3.273 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418357110 500267967 /nfs/dbraw/zinc/26/79/67/500267967.db2.gz QMQWUCMSOPTWMU-YWZLYKJASA-N 1 3 354.498 3.329 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000430740695 500278087 /nfs/dbraw/zinc/27/80/87/500278087.db2.gz BZKSUCXRBQXGBL-XMSQKQJNSA-N 1 3 365.521 3.277 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](CN)c3ccccc3)cc2)C1 ZINC000430740695 500278090 /nfs/dbraw/zinc/27/80/90/500278090.db2.gz BZKSUCXRBQXGBL-XMSQKQJNSA-N 1 3 365.521 3.277 20 0 FGADHO FC(F)(F)c1cccc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422699640 500287229 /nfs/dbraw/zinc/28/72/29/500287229.db2.gz AVOKGQHCCVIJSS-FGTMMUONSA-N 1 3 356.432 3.385 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OC2CCCC2)CC[NH2+]CC1 ZINC000422698409 500287282 /nfs/dbraw/zinc/28/72/82/500287282.db2.gz ZEQBQCOCVUPGQB-KRWDZBQOSA-N 1 3 374.525 3.419 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(OC)c1OC ZINC000422705241 500287814 /nfs/dbraw/zinc/28/78/14/500287814.db2.gz RCTAZOBFUDAVIH-OKZBNKHCSA-N 1 3 362.514 3.155 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719926 500289936 /nfs/dbraw/zinc/28/99/36/500289936.db2.gz RQDAAQSGHGNCLW-MYGLTJDJSA-N 1 3 359.558 3.206 20 0 FGADHO C[C@H](COc1cccc(F)c1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422740687 500292548 /nfs/dbraw/zinc/29/25/48/500292548.db2.gz OCVUZEFHBJEYFV-MFMILTCTSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@@H](C[NH3+])NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418571277 500292932 /nfs/dbraw/zinc/29/29/32/500292932.db2.gz RIOPXHZJHKZDIM-RXVVDRJESA-N 1 3 372.557 3.200 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422753264 500294692 /nfs/dbraw/zinc/29/46/92/500294692.db2.gz IGJJOOCVXCCQFR-SJBKTWHCSA-N 1 3 351.494 3.135 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422772543 500295664 /nfs/dbraw/zinc/29/56/64/500295664.db2.gz YWVGWFRJIZTOLH-QKLQHJQFSA-N 1 3 357.523 3.196 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778772 500296396 /nfs/dbraw/zinc/29/63/96/500296396.db2.gz AXPMQSNJOGPAFA-VMRPVKRXSA-N 1 3 356.441 3.439 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422796364 500298685 /nfs/dbraw/zinc/29/86/85/500298685.db2.gz YIUJUHMQGRQSEB-CQSZACIVSA-N 1 3 353.445 3.067 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422824295 500302875 /nfs/dbraw/zinc/30/28/75/500302875.db2.gz NJSCARAJEBXBJG-ZFWWWQNUSA-N 1 3 353.894 3.106 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)c1ccccc1 ZINC000422863452 500307236 /nfs/dbraw/zinc/30/72/36/500307236.db2.gz PBLQEVWKMARJDF-AGHHOFFYSA-N 1 3 351.494 3.357 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H](CC)c2ccccc2OCC)CC[NH2+]CC1 ZINC000422877250 500308985 /nfs/dbraw/zinc/30/89/85/500308985.db2.gz HNMJRQJPASIWGG-FUHWJXTLSA-N 1 3 362.514 3.447 20 0 FGADHO C[C@@H]1CN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932325 500309105 /nfs/dbraw/zinc/30/91/05/500309105.db2.gz DZMUFHBPDSURGG-MDYRTPRTSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC([C@H](C)[NH3+])CC1 ZINC000430935349 500310004 /nfs/dbraw/zinc/31/00/04/500310004.db2.gz POGLSMNVEYGOGL-YESZJQIVSA-N 1 3 353.510 3.465 20 0 FGADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430939727 500310476 /nfs/dbraw/zinc/31/04/76/500310476.db2.gz MHOYNKNCHJNVLE-ULQDDVLXSA-N 1 3 357.542 3.190 20 0 FGADHO Cc1nccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cc1F ZINC000422904172 500314011 /nfs/dbraw/zinc/31/40/11/500314011.db2.gz PSWLREIAALVPFB-YWZLYKJASA-N 1 3 352.457 3.368 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422905398 500314604 /nfs/dbraw/zinc/31/46/04/500314604.db2.gz IGPVWGXKXWTYOP-ZJBJCVSYSA-N 1 3 373.491 3.477 20 0 FGADHO COc1cccc(N2CC[C@H](CN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422907340 500314709 /nfs/dbraw/zinc/31/47/09/500314709.db2.gz XAXVPJKMFPAYOS-KPLVRAHFSA-N 1 3 353.510 3.070 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000422922041 500316982 /nfs/dbraw/zinc/31/69/82/500316982.db2.gz RQBWYDONALSHHE-QWHCGFSZSA-N 1 3 356.869 3.451 20 0 FGADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422922442 500317013 /nfs/dbraw/zinc/31/70/13/500317013.db2.gz STBFNJGHXVEPIJ-PWRODBHTSA-N 1 3 374.525 3.071 20 0 FGADHO CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1 ZINC000422922442 500317017 /nfs/dbraw/zinc/31/70/17/500317017.db2.gz STBFNJGHXVEPIJ-PWRODBHTSA-N 1 3 374.525 3.071 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920524 500317085 /nfs/dbraw/zinc/31/70/85/500317085.db2.gz MWCKRSTYWMPKRA-HGTKMLMNSA-N 1 3 360.420 3.205 20 0 FGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422934734 500319318 /nfs/dbraw/zinc/31/93/18/500319318.db2.gz DAFPPAFJENLFOJ-UONOGXRCSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2cccc(Br)c2)CCOCC1 ZINC000422934734 500319320 /nfs/dbraw/zinc/31/93/20/500319320.db2.gz DAFPPAFJENLFOJ-UONOGXRCSA-N 1 3 355.320 3.213 20 0 FGADHO CCOC(=O)C1([C@@H](C)NC2(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000422939509 500320484 /nfs/dbraw/zinc/32/04/84/500320484.db2.gz FYNSWIZYLDKXEG-CQSZACIVSA-N 1 3 350.890 3.240 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422943937 500321008 /nfs/dbraw/zinc/32/10/08/500321008.db2.gz LRQBWOBEULDYNP-RVKKMQEKSA-N 1 3 366.347 3.253 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431012965 500322524 /nfs/dbraw/zinc/32/25/24/500322524.db2.gz HGJXARHTXQSIGT-ROUUACIJSA-N 1 3 369.553 3.207 20 0 FGADHO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(CN)nc3C)cc2)n1 ZINC000422959315 500323884 /nfs/dbraw/zinc/32/38/84/500323884.db2.gz RMKLFSZPHHRUFR-AWEZNQCLSA-N 1 3 365.481 3.354 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000431040943 500327648 /nfs/dbraw/zinc/32/76/48/500327648.db2.gz PVTFRVTVYSUHQO-ROUUACIJSA-N 1 3 365.521 3.481 20 0 FGADHO Fc1ccc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423028084 500333231 /nfs/dbraw/zinc/33/32/31/500333231.db2.gz FTHQDUFGRXIGLY-OXJNMPFZSA-N 1 3 362.395 3.492 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000426889249 500333757 /nfs/dbraw/zinc/33/37/57/500333757.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889249 500333759 /nfs/dbraw/zinc/33/37/59/500333759.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 1 3 355.526 3.125 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423044381 500334192 /nfs/dbraw/zinc/33/41/92/500334192.db2.gz AKWANZXEGIECGO-HOCLYGCPSA-N 1 3 359.436 3.466 20 0 FGADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000423045508 500334458 /nfs/dbraw/zinc/33/44/58/500334458.db2.gz SKMIPZFXKLUXTG-PPUFBPAQSA-N 1 3 356.297 3.206 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058722 500336987 /nfs/dbraw/zinc/33/69/87/500336987.db2.gz KGPNTHAQXZJJMB-XZJROXQQSA-N 1 3 360.395 3.218 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423058722 500336990 /nfs/dbraw/zinc/33/69/90/500336990.db2.gz KGPNTHAQXZJJMB-XZJROXQQSA-N 1 3 360.395 3.218 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)c(F)c1 ZINC000423079592 500339385 /nfs/dbraw/zinc/33/93/85/500339385.db2.gz QYWFRQIFRPHXOD-CPLUKWAASA-N 1 3 352.469 3.016 20 0 FGADHO Cc1cccc2c1OC[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000423131652 500346484 /nfs/dbraw/zinc/34/64/84/500346484.db2.gz BGTHVUWXBUGYTF-ZWCUEREDSA-N 1 3 350.462 3.144 20 0 FGADHO CC(C)OCCOC1CCN([C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423154081 500349350 /nfs/dbraw/zinc/34/93/50/500349350.db2.gz IQXNSLFVRIAATG-IFMALSPDSA-N 1 3 374.525 3.148 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423218783 500356134 /nfs/dbraw/zinc/35/61/34/500356134.db2.gz WBJFOMHALRYLTK-UKRRQHHQSA-N 1 3 372.294 3.202 20 0 FGADHO CC[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N1CCc2ccccc2C1 ZINC000423336793 500365303 /nfs/dbraw/zinc/36/53/03/500365303.db2.gz VDIORTDBBYNOAF-HRAATJIYSA-N 1 3 351.494 3.273 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000423353590 500366917 /nfs/dbraw/zinc/36/69/17/500366917.db2.gz LYMWEZDDMUJSGB-UWJYYQICSA-N 1 3 351.494 3.491 20 0 FGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCc2nccn2C)cc1 ZINC000423365281 500367738 /nfs/dbraw/zinc/36/77/38/500367738.db2.gz AZZVVMMHGJMZMA-MRXNPFEDSA-N 1 3 362.477 3.453 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000423428312 500373846 /nfs/dbraw/zinc/37/38/46/500373846.db2.gz OJYBQNTXNVJHKU-MRXNPFEDSA-N 1 3 361.555 3.188 20 0 FGADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423455327 500376028 /nfs/dbraw/zinc/37/60/28/500376028.db2.gz MLSGJLIULXUWQL-FCEWJHQRSA-N 1 3 367.896 3.167 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423455725 500376159 /nfs/dbraw/zinc/37/61/59/500376159.db2.gz NBIQKEZJKPNCMW-MZKGEVEHSA-N 1 3 370.324 3.291 20 0 FGADHO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000419696436 500390375 /nfs/dbraw/zinc/39/03/75/500390375.db2.gz VEMHSOYASDBARV-RTBURBONSA-N 1 3 356.558 3.289 20 0 FGADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423742592 500398102 /nfs/dbraw/zinc/39/81/02/500398102.db2.gz JCEYSQQUKRKNPB-LEWJYISDSA-N 1 3 357.542 3.061 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000423738192 500398132 /nfs/dbraw/zinc/39/81/32/500398132.db2.gz FURQESHPBUUWDT-UWJYYQICSA-N 1 3 353.510 3.433 20 0 FGADHO C[C@H](CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000423774695 500400865 /nfs/dbraw/zinc/40/08/65/500400865.db2.gz OIKOUKOXKZTCFP-RDTXWAMCSA-N 1 3 351.922 3.085 20 0 FGADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423897071 500417406 /nfs/dbraw/zinc/41/74/06/500417406.db2.gz OONWWVWYUKDWTB-IIBYNOLFSA-N 1 3 367.493 3.282 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845268 500433063 /nfs/dbraw/zinc/43/30/63/500433063.db2.gz NSWJGPIARHQCKU-HLAWJBBLSA-N 1 3 355.526 3.155 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845268 500433065 /nfs/dbraw/zinc/43/30/65/500433065.db2.gz NSWJGPIARHQCKU-HLAWJBBLSA-N 1 3 355.526 3.155 20 0 FGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420324579 500441844 /nfs/dbraw/zinc/44/18/44/500441844.db2.gz VRNOFYDACCVYJW-FKBYEOEOSA-N 1 3 354.494 3.153 20 0 FGADHO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420324579 500441846 /nfs/dbraw/zinc/44/18/46/500441846.db2.gz VRNOFYDACCVYJW-FKBYEOEOSA-N 1 3 354.494 3.153 20 0 FGADHO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330879 500442349 /nfs/dbraw/zinc/44/23/49/500442349.db2.gz IHEPZQMFTZXLCE-RWMBFGLXSA-N 1 3 356.297 3.252 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3cccc4ccccc43)CC2)C1 ZINC000420381340 500451923 /nfs/dbraw/zinc/45/19/23/500451923.db2.gz CITMPYOVZCXORH-KNQAVFIVSA-N 1 3 354.494 3.437 20 0 FGADHO CSc1ccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391109 500454264 /nfs/dbraw/zinc/45/42/64/500454264.db2.gz OARDNSUQZOWMND-VQIMIIECSA-N 1 3 350.528 3.006 20 0 FGADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408236 500456913 /nfs/dbraw/zinc/45/69/13/500456913.db2.gz VWUJFIRJYDZWIE-GUYCJALGSA-N 1 3 353.869 3.272 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccccc1F ZINC000570564357 506196957 /nfs/dbraw/zinc/19/69/57/506196957.db2.gz NCUOWNUYEWYZCR-LJQANCHMSA-N 1 3 360.473 3.195 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccccc1F ZINC000570564357 506196961 /nfs/dbraw/zinc/19/69/61/506196961.db2.gz NCUOWNUYEWYZCR-LJQANCHMSA-N 1 3 360.473 3.195 20 0 FGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(OC4CCN(C)CC4)cc3)C[C@H]2C1 ZINC000424345223 500489421 /nfs/dbraw/zinc/48/94/21/500489421.db2.gz HVZKJMWTPQFPNJ-CMQMCVIQSA-N 1 3 358.526 3.453 20 0 FGADHO CC(C)O[C@H](CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283949 500491626 /nfs/dbraw/zinc/49/16/26/500491626.db2.gz CJIMOGOEZVZOAU-ILWGZMRPSA-N 1 3 359.558 3.111 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420777093 500498319 /nfs/dbraw/zinc/49/83/19/500498319.db2.gz GSAXZWUIMBFWFH-UHFFFAOYSA-N 1 3 372.557 3.131 20 0 FGADHO C[C@H]1CN(CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357553 500504366 /nfs/dbraw/zinc/50/43/66/500504366.db2.gz LZOFTAXFENQXHI-KRWDZBQOSA-N 1 3 362.514 3.232 20 0 FGADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365163 500505795 /nfs/dbraw/zinc/50/57/95/500505795.db2.gz QVARZJBNBBVQCM-ZDUSSCGKSA-N 1 3 359.283 3.179 20 0 FGADHO OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462382 500513189 /nfs/dbraw/zinc/51/31/89/500513189.db2.gz SVDBSEJMRWDDMZ-WBADGQHESA-N 1 3 372.553 3.056 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4ncccc4c3)CC2)CC1 ZINC000420976835 500545625 /nfs/dbraw/zinc/54/56/25/500545625.db2.gz HHFYKJNLCUFNPU-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4ncccc4c3)CC2)CC1 ZINC000420976835 500545627 /nfs/dbraw/zinc/54/56/27/500545627.db2.gz HHFYKJNLCUFNPU-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1NCCOCC[NH+](C)C ZINC000447597711 500632040 /nfs/dbraw/zinc/63/20/40/500632040.db2.gz GKJFYCGSCYXQIU-LRDDRELGSA-N 1 3 373.360 3.400 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880699 500638589 /nfs/dbraw/zinc/63/85/89/500638589.db2.gz XVSQVHVCTYFCMD-CQSZACIVSA-N 1 3 354.336 3.126 20 0 FGADHO [NH3+]CC[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933050 500649107 /nfs/dbraw/zinc/64/91/07/500649107.db2.gz ZLVIAUATZOFEIH-QAPCUYQASA-N 1 3 352.906 3.459 20 0 FGADHO C[NH+](C)CCOc1ccc(CCNCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000447839959 500674572 /nfs/dbraw/zinc/67/45/72/500674572.db2.gz OBOKFFWGNSQXOZ-UHFFFAOYSA-N 1 3 364.493 3.349 20 0 FGADHO C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000443203551 500696018 /nfs/dbraw/zinc/69/60/18/500696018.db2.gz MDKMYBDCPHBOOI-ZNMIVQPWSA-N 1 3 359.474 3.006 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccsc1 ZINC000443232187 500699166 /nfs/dbraw/zinc/69/91/66/500699166.db2.gz BAKJBCHQSMUBPQ-DOTOQJQBSA-N 1 3 368.591 3.407 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000433555518 500711021 /nfs/dbraw/zinc/71/10/21/500711021.db2.gz UUQVFYLYLQNWLX-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376311 500715898 /nfs/dbraw/zinc/71/58/98/500715898.db2.gz WMBWZTZOUPRBHH-GOSISDBHSA-N 1 3 358.486 3.313 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376311 500715900 /nfs/dbraw/zinc/71/59/00/500715900.db2.gz WMBWZTZOUPRBHH-GOSISDBHSA-N 1 3 358.486 3.313 20 0 FGADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000438090713 500736639 /nfs/dbraw/zinc/73/66/39/500736639.db2.gz VNUGJKWNGHZQST-SFHVURJKSA-N 1 3 355.501 3.294 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCCN1C1CC1 ZINC000433945576 500769102 /nfs/dbraw/zinc/76/91/02/500769102.db2.gz IKEGBOGMBRMBKU-OAQYLSRUSA-N 1 3 370.541 3.099 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438344941 500774488 /nfs/dbraw/zinc/77/44/88/500774488.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 1 3 362.562 3.052 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438344941 500774491 /nfs/dbraw/zinc/77/44/91/500774491.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 1 3 362.562 3.052 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829991 500824866 /nfs/dbraw/zinc/82/48/66/500824866.db2.gz SWJBPNSIPRXERV-RJJVWVDVSA-N 1 3 360.542 3.053 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829991 500824869 /nfs/dbraw/zinc/82/48/69/500824869.db2.gz SWJBPNSIPRXERV-RJJVWVDVSA-N 1 3 360.542 3.053 20 0 FGADHO Cc1nn(C)c(C)c1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449069486 500916664 /nfs/dbraw/zinc/91/66/64/500916664.db2.gz XJOFOKBWOGGOES-KRWDZBQOSA-N 1 3 354.542 3.265 20 0 FGADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095876 500924083 /nfs/dbraw/zinc/92/40/83/500924083.db2.gz CEILHYIKIGIGOQ-XDNAFOTISA-N 1 3 366.571 3.150 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095876 500924087 /nfs/dbraw/zinc/92/40/87/500924087.db2.gz CEILHYIKIGIGOQ-XDNAFOTISA-N 1 3 366.571 3.150 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000435374538 500962173 /nfs/dbraw/zinc/96/21/73/500962173.db2.gz XYNCJUOSOBDFGN-UHFFFAOYSA-N 1 3 370.585 3.183 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4CC[C@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373376 500962245 /nfs/dbraw/zinc/96/22/45/500962245.db2.gz MXQZLOGTJLXSRK-MJGOQNOKSA-N 1 3 364.493 3.391 20 0 FGADHO C[NH2+]CCC1CCN(Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000435384224 500964789 /nfs/dbraw/zinc/96/47/89/500964789.db2.gz LPGDEHAOZOYUNM-UHFFFAOYSA-N 1 3 370.541 3.378 20 0 FGADHO COc1ccc(-c2ccncc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000435391915 500966777 /nfs/dbraw/zinc/96/67/77/500966777.db2.gz URXDYHDQLAFYDY-UHFFFAOYSA-N 1 3 355.482 3.087 20 0 FGADHO COc1cc(CN2CCC(C[NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000435397178 500967711 /nfs/dbraw/zinc/96/77/11/500967711.db2.gz DFNKIXJEHBSVPM-UHFFFAOYSA-N 1 3 370.493 3.454 20 0 FGADHO CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[nH]c1C ZINC000449296310 500969577 /nfs/dbraw/zinc/96/95/77/500969577.db2.gz YOOBJXZLPQFPKT-SFHVURJKSA-N 1 3 355.482 3.112 20 0 FGADHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449326878 500978652 /nfs/dbraw/zinc/97/86/52/500978652.db2.gz ZYKPSQBSHSDNMB-QFIPXVFZSA-N 1 3 351.494 3.398 20 0 FGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000449369138 500988293 /nfs/dbraw/zinc/98/82/93/500988293.db2.gz BBRJMZQPCMPSSD-USWSCHJFSA-N 1 3 370.603 3.223 20 0 FGADHO CCN(CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614945 501002633 /nfs/dbraw/zinc/00/26/33/501002633.db2.gz NZRFUIQPXGOXIQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCNCC1 ZINC000435614945 501002635 /nfs/dbraw/zinc/00/26/35/501002635.db2.gz NZRFUIQPXGOXIQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCNCC1 ZINC000435614945 501002636 /nfs/dbraw/zinc/00/26/36/501002636.db2.gz NZRFUIQPXGOXIQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CCCN1CCC([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000449523877 501024546 /nfs/dbraw/zinc/02/45/46/501024546.db2.gz MHMJJPUHQQUQIX-UHFFFAOYSA-N 1 3 372.557 3.073 20 0 FGADHO C[NH+](C)CCCC(C)(C)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000449528506 501026294 /nfs/dbraw/zinc/02/62/94/501026294.db2.gz QAGFRJBVHSBBRX-UHFFFAOYSA-N 1 3 353.873 3.270 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CCN(C)CC1 ZINC000449557569 501032782 /nfs/dbraw/zinc/03/27/82/501032782.db2.gz UZNZMRBFURXMHP-XQBPLPMBSA-N 1 3 371.569 3.200 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CCN(C)CC1 ZINC000449557569 501032785 /nfs/dbraw/zinc/03/27/85/501032785.db2.gz UZNZMRBFURXMHP-XQBPLPMBSA-N 1 3 371.569 3.200 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000449687546 501062970 /nfs/dbraw/zinc/06/29/70/501062970.db2.gz PUYGFOVYMAPJAP-QFIPXVFZSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000449687546 501062975 /nfs/dbraw/zinc/06/29/75/501062975.db2.gz PUYGFOVYMAPJAP-QFIPXVFZSA-N 1 3 357.542 3.220 20 0 FGADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCSc1ccccc1Cl ZINC000436061543 501064188 /nfs/dbraw/zinc/06/41/88/501064188.db2.gz QDDIKPVAEWFCNJ-OAHLLOKOSA-N 1 3 369.962 3.142 20 0 FGADHO CN1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)(N2CCCCC2)CC1 ZINC000436238511 501093676 /nfs/dbraw/zinc/09/36/76/501093676.db2.gz JDPQJLIFEBEVFT-UHFFFAOYSA-N 1 3 358.505 3.347 20 0 FGADHO COCCC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000436274543 501100194 /nfs/dbraw/zinc/10/01/94/501100194.db2.gz MRCVUCJKCRFKHD-UHFFFAOYSA-N 1 3 374.573 3.170 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CN1C1CC1 ZINC000441287919 501114370 /nfs/dbraw/zinc/11/43/70/501114370.db2.gz RYQJEZQMTFEEND-MSOLQXFVSA-N 1 3 362.562 3.100 20 0 FGADHO Fc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133483 /nfs/dbraw/zinc/13/34/83/501133483.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 1 3 374.500 3.051 20 0 FGADHO Fc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133485 /nfs/dbraw/zinc/13/34/85/501133485.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 1 3 374.500 3.051 20 0 FGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000446743286 501160016 /nfs/dbraw/zinc/16/00/16/501160016.db2.gz DOWHTQPNHQGORJ-TZIWHRDSSA-N 1 3 355.530 3.430 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239434 /nfs/dbraw/zinc/23/94/34/501239434.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 1 3 358.530 3.009 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239435 /nfs/dbraw/zinc/23/94/35/501239435.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 1 3 358.530 3.009 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110751 501271686 /nfs/dbraw/zinc/27/16/86/501271686.db2.gz OIMCPZDARSPLHT-YADHBBJMSA-N 1 3 369.553 3.442 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCCCC[N@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420157 501327862 /nfs/dbraw/zinc/32/78/62/501327862.db2.gz ZJSCITQISRNFCX-UXHICEINSA-N 1 3 365.949 3.176 20 0 FGADHO CN1CCO[C@@H]([C@@H](NCCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420157 501327866 /nfs/dbraw/zinc/32/78/66/501327866.db2.gz ZJSCITQISRNFCX-UXHICEINSA-N 1 3 365.949 3.176 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933693 501338110 /nfs/dbraw/zinc/33/81/10/501338110.db2.gz QLRNTULQIKSEMQ-PKOBYXMFSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)CC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000458122774 501376174 /nfs/dbraw/zinc/37/61/74/501376174.db2.gz BWOSZLLPJGGSTJ-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000458195666 501389361 /nfs/dbraw/zinc/38/93/61/501389361.db2.gz CGLNYFSAIDCSNW-SFHVURJKSA-N 1 3 363.571 3.293 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000458195666 501389362 /nfs/dbraw/zinc/38/93/62/501389362.db2.gz CGLNYFSAIDCSNW-SFHVURJKSA-N 1 3 363.571 3.293 20 0 FGADHO CN(CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)Cc1ccccc1 ZINC000455910849 501413147 /nfs/dbraw/zinc/41/31/47/501413147.db2.gz IWXVJNPMGIFUGM-NRFANRHFSA-N 1 3 366.509 3.489 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512545 501463269 /nfs/dbraw/zinc/46/32/69/501463269.db2.gz YIHPTPBSZPJJDD-JBACZVJFSA-N 1 3 372.557 3.164 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512545 501463271 /nfs/dbraw/zinc/46/32/71/501463271.db2.gz YIHPTPBSZPJJDD-JBACZVJFSA-N 1 3 372.557 3.164 20 0 FGADHO Cn1cncc1CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495042 506255872 /nfs/dbraw/zinc/25/58/72/506255872.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495042 506255876 /nfs/dbraw/zinc/25/58/76/506255876.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000582495042 506255882 /nfs/dbraw/zinc/25/58/82/506255882.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 1 3 352.526 3.339 20 0 FGADHO Cn1cncc1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000582495042 506255885 /nfs/dbraw/zinc/25/58/85/506255885.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 1 3 352.526 3.339 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000458926036 501560431 /nfs/dbraw/zinc/56/04/31/501560431.db2.gz CDZPUJQZJBKZNK-ZCNNSNEGSA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000458926036 501560434 /nfs/dbraw/zinc/56/04/34/501560434.db2.gz CDZPUJQZJBKZNK-ZCNNSNEGSA-N 1 3 364.578 3.154 20 0 FGADHO CCOCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030710 501604683 /nfs/dbraw/zinc/60/46/83/501604683.db2.gz YQSDJPKJJIMTES-FGZHOGPDSA-N 1 3 374.569 3.397 20 0 FGADHO CCOCC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453030710 501604686 /nfs/dbraw/zinc/60/46/86/501604686.db2.gz YQSDJPKJJIMTES-FGZHOGPDSA-N 1 3 374.569 3.397 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363555 501639793 /nfs/dbraw/zinc/63/97/93/501639793.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 1 3 369.553 3.360 20 0 FGADHO C[C@@H]1CN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363555 501639796 /nfs/dbraw/zinc/63/97/96/501639796.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 1 3 369.553 3.360 20 0 FGADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000459385602 501643910 /nfs/dbraw/zinc/64/39/10/501643910.db2.gz JUCYCPCQELKIPJ-UHFFFAOYSA-N 1 3 367.493 3.389 20 0 FGADHO COC[C@H](O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522955 501669030 /nfs/dbraw/zinc/66/90/30/501669030.db2.gz LDSJUJLCVVGPKO-YADHBBJMSA-N 1 3 360.542 3.151 20 0 FGADHO COC[C@H](O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522955 501669031 /nfs/dbraw/zinc/66/90/31/501669031.db2.gz LDSJUJLCVVGPKO-YADHBBJMSA-N 1 3 360.542 3.151 20 0 FGADHO CO[C@@H]1C[N@H+](Cc2ccc(CN3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758729 /nfs/dbraw/zinc/75/87/29/501758729.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1C[N@@H+](Cc2ccc(CN3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758733 /nfs/dbraw/zinc/75/87/33/501758733.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CN(Cc2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758737 /nfs/dbraw/zinc/75/87/37/501758737.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CN(Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758742 /nfs/dbraw/zinc/75/87/42/501758742.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 1 3 360.542 3.400 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470718454 501781058 /nfs/dbraw/zinc/78/10/58/501781058.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470718454 501781064 /nfs/dbraw/zinc/78/10/64/501781064.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 1 3 360.546 3.023 20 0 FGADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470739816 501789066 /nfs/dbraw/zinc/78/90/66/501789066.db2.gz FRFPBTQPIVEHOV-SFTDATJTSA-N 1 3 374.573 3.269 20 0 FGADHO CCS[C@H]1CCCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385787 501811572 /nfs/dbraw/zinc/81/15/72/501811572.db2.gz GCWSVTBCFSEHOF-RBUKOAKNSA-N 1 3 363.571 3.013 20 0 FGADHO CCN(CC)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465554 501828393 /nfs/dbraw/zinc/82/83/93/501828393.db2.gz ISMYGZHHBRRPFB-LJQANCHMSA-N 1 3 357.542 3.231 20 0 FGADHO CN1CCO[C@H]([C@@H](NCC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630739 501837309 /nfs/dbraw/zinc/83/73/09/501837309.db2.gz SADHHAAWJXNZTC-OALUTQOASA-N 1 3 365.949 3.033 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023067 501932405 /nfs/dbraw/zinc/93/24/05/501932405.db2.gz VDYGVJQGXCSUKE-SVFBPWRDSA-N 1 3 374.573 3.488 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468047112 501940535 /nfs/dbraw/zinc/94/05/35/501940535.db2.gz GKHZSEILUHPMFB-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468047112 501940538 /nfs/dbraw/zinc/94/05/38/501940538.db2.gz GKHZSEILUHPMFB-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066782 501945800 /nfs/dbraw/zinc/94/58/00/501945800.db2.gz YDQXNELUVFBGOR-QZTJIDSGSA-N 1 3 370.541 3.030 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000468088562 501952132 /nfs/dbraw/zinc/95/21/32/501952132.db2.gz NJNZPVFHJHLPFH-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO CCOC(=O)C1(C)CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000474882201 501979853 /nfs/dbraw/zinc/97/98/53/501979853.db2.gz UHYSNWVSXOGBJQ-UHFFFAOYSA-N 1 3 359.514 3.400 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccsc21 ZINC000464656261 502056961 /nfs/dbraw/zinc/05/69/61/502056961.db2.gz LXANKFWOXCOKIB-KRWDZBQOSA-N 1 3 359.539 3.389 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ccsc21 ZINC000464656261 502056964 /nfs/dbraw/zinc/05/69/64/502056964.db2.gz LXANKFWOXCOKIB-KRWDZBQOSA-N 1 3 359.539 3.389 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101770 /nfs/dbraw/zinc/10/17/70/502101770.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101775 /nfs/dbraw/zinc/10/17/75/502101775.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 1 3 357.542 3.150 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000475291235 502120782 /nfs/dbraw/zinc/12/07/82/502120782.db2.gz NLAUDUMKUGOFLB-OAQYLSRUSA-N 1 3 374.573 3.411 20 0 FGADHO N[C@H](CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000471791587 502138216 /nfs/dbraw/zinc/13/82/16/502138216.db2.gz WMKNAWCQAGTMSM-BDTNDASRSA-N 1 3 365.521 3.275 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000468683546 502145095 /nfs/dbraw/zinc/14/50/95/502145095.db2.gz GOZDNJKOSRUARZ-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000461795000 502203921 /nfs/dbraw/zinc/20/39/21/502203921.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000461795000 502203928 /nfs/dbraw/zinc/20/39/28/502203928.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883251 502217697 /nfs/dbraw/zinc/21/76/97/502217697.db2.gz HRZSSELCPTVCGC-IBGZPJMESA-N 1 3 373.541 3.061 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883251 502217701 /nfs/dbraw/zinc/21/77/01/502217701.db2.gz HRZSSELCPTVCGC-IBGZPJMESA-N 1 3 373.541 3.061 20 0 FGADHO CC(C)C[C@]1(CO)CCCN1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718425 502263048 /nfs/dbraw/zinc/26/30/48/502263048.db2.gz YMBCFLZCDYKGLP-SFTDATJTSA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)C[C@]1(CO)CCCN1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718425 502263053 /nfs/dbraw/zinc/26/30/53/502263053.db2.gz YMBCFLZCDYKGLP-SFTDATJTSA-N 1 3 354.579 3.123 20 0 FGADHO C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725139 502265518 /nfs/dbraw/zinc/26/55/18/502265518.db2.gz XYMSWCQLKGLSGI-QYZOEREBSA-N 1 3 357.542 3.265 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290149 502301425 /nfs/dbraw/zinc/30/14/25/502301425.db2.gz FAQMXHVWSQHNAH-GOSISDBHSA-N 1 3 367.921 3.101 20 0 FGADHO Cc1[nH]nc2ncc(CN3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376856 502334890 /nfs/dbraw/zinc/33/48/90/502334890.db2.gz ZINOPDNGIJZRQN-CTNGQTDRSA-N 1 3 363.509 3.438 20 0 FGADHO FC(F)(F)c1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000479690417 502344931 /nfs/dbraw/zinc/34/49/31/502344931.db2.gz SLRRBCPITWDSQK-UHFFFAOYSA-N 1 3 355.448 3.213 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709725 502355533 /nfs/dbraw/zinc/35/55/33/502355533.db2.gz DZBRIPPWCAILED-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000465709725 502355539 /nfs/dbraw/zinc/35/55/39/502355539.db2.gz DZBRIPPWCAILED-LEWJYISDSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766860 502377702 /nfs/dbraw/zinc/37/77/02/502377702.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766860 502377703 /nfs/dbraw/zinc/37/77/03/502377703.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 1 3 370.541 3.136 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773090 502379398 /nfs/dbraw/zinc/37/93/98/502379398.db2.gz DGSKALFQODOSMN-NRFANRHFSA-N 1 3 372.557 3.346 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793841 502387069 /nfs/dbraw/zinc/38/70/69/502387069.db2.gz WSCGSCFCGCYFPR-FQEVSTJZSA-N 1 3 374.573 3.169 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793841 502387071 /nfs/dbraw/zinc/38/70/71/502387071.db2.gz WSCGSCFCGCYFPR-FQEVSTJZSA-N 1 3 374.573 3.169 20 0 FGADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910796 502424476 /nfs/dbraw/zinc/42/44/76/502424476.db2.gz ONOLGRUPURGMMJ-ICSRJNTNSA-N 1 3 372.557 3.434 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCCN1CC)[NH+]1CCCC1 ZINC000476481374 502501190 /nfs/dbraw/zinc/50/11/90/502501190.db2.gz BODOURAOCDYODV-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000487733990 502517406 /nfs/dbraw/zinc/51/74/06/502517406.db2.gz FVOVYYJDILFXPQ-KRWDZBQOSA-N 1 3 359.514 3.220 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000487733990 502517412 /nfs/dbraw/zinc/51/74/12/502517412.db2.gz FVOVYYJDILFXPQ-KRWDZBQOSA-N 1 3 359.514 3.220 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN(CC)CC)C12CCOCC2 ZINC000469788518 502546063 /nfs/dbraw/zinc/54/60/63/502546063.db2.gz BMDFBIJLVDKTIZ-ZGXWSNOMSA-N 1 3 352.563 3.451 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000473298283 502562521 /nfs/dbraw/zinc/56/25/21/502562521.db2.gz DEOZSDCAEBAZRA-FUHWJXTLSA-N 1 3 351.560 3.243 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2cccc(Br)c21 ZINC000484142227 502581658 /nfs/dbraw/zinc/58/16/58/502581658.db2.gz IDXDBCALFKHJKA-IUODEOHRSA-N 1 3 353.304 3.044 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605629 /nfs/dbraw/zinc/60/56/29/502605629.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 1 3 365.521 3.330 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605636 /nfs/dbraw/zinc/60/56/36/502605636.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 1 3 365.521 3.330 20 0 FGADHO CCSc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000480571405 502606840 /nfs/dbraw/zinc/60/68/40/502606840.db2.gz IXKYHTIPORGXFL-SFHVURJKSA-N 1 3 363.571 3.287 20 0 FGADHO CCSc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000480571405 502606843 /nfs/dbraw/zinc/60/68/43/502606843.db2.gz IXKYHTIPORGXFL-SFHVURJKSA-N 1 3 363.571 3.287 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609542 502618930 /nfs/dbraw/zinc/61/89/30/502618930.db2.gz LPDNTNBEILAVCS-DLBZAZTESA-N 1 3 367.559 3.363 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609542 502618934 /nfs/dbraw/zinc/61/89/34/502618934.db2.gz LPDNTNBEILAVCS-DLBZAZTESA-N 1 3 367.559 3.363 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480613693 502621056 /nfs/dbraw/zinc/62/10/56/502621056.db2.gz PNAWQJXCRZWQKD-JAXLGGSGSA-N 1 3 359.558 3.303 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480621145 502623734 /nfs/dbraw/zinc/62/37/34/502623734.db2.gz IYKCGHWKXRXXGC-XXBNENTESA-N 1 3 367.537 3.300 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104932 502754779 /nfs/dbraw/zinc/75/47/79/502754779.db2.gz JRFQNUKSULSZOH-MZKRTTBSSA-N 1 3 373.585 3.160 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104932 502754788 /nfs/dbraw/zinc/75/47/88/502754788.db2.gz JRFQNUKSULSZOH-MZKRTTBSSA-N 1 3 373.585 3.160 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049477 502790292 /nfs/dbraw/zinc/79/02/92/502790292.db2.gz YXYPEWLMUIWVMJ-DNVJHFABSA-N 1 3 371.569 3.119 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000470487087 502792554 /nfs/dbraw/zinc/79/25/54/502792554.db2.gz ONEMSDCOOQJRCB-HXUWFJFHSA-N 1 3 360.546 3.069 20 0 FGADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCCC12CCCC2)c1ccccc1 ZINC000463444984 502807947 /nfs/dbraw/zinc/80/79/47/502807947.db2.gz OWHXBEWJMSQRGH-PMACEKPBSA-N 1 3 357.542 3.498 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504877569 502817787 /nfs/dbraw/zinc/81/77/87/502817787.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504877569 502817788 /nfs/dbraw/zinc/81/77/88/502817788.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 1 3 372.557 3.215 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1F ZINC000504899866 502820851 /nfs/dbraw/zinc/82/08/51/502820851.db2.gz NPQGLTDSLRCSRR-QGZVFWFLSA-N 1 3 372.488 3.092 20 0 FGADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000488961080 502847810 /nfs/dbraw/zinc/84/78/10/502847810.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000488961080 502847815 /nfs/dbraw/zinc/84/78/15/502847815.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152640 502888543 /nfs/dbraw/zinc/88/85/43/502888543.db2.gz YHJHNQIIMZXVQX-XUVXKRRUSA-N 1 3 364.578 3.014 20 0 FGADHO CN(Cc1cnn(C)c1C(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029303 502916286 /nfs/dbraw/zinc/91/62/86/502916286.db2.gz RCWYTYIQWFGFNV-UHFFFAOYSA-N 1 3 367.419 3.182 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032504 502917215 /nfs/dbraw/zinc/91/72/15/502917215.db2.gz PQKKDUCYZBFHPK-HDICACEKSA-N 1 3 358.530 3.019 20 0 FGADHO C(CN1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399850 502948545 /nfs/dbraw/zinc/94/85/45/502948545.db2.gz ZGMHMTPGPJNAOX-SFTDATJTSA-N 1 3 350.547 3.162 20 0 FGADHO C(CN1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399850 502948548 /nfs/dbraw/zinc/94/85/48/502948548.db2.gz ZGMHMTPGPJNAOX-SFTDATJTSA-N 1 3 350.547 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccsc1 ZINC000501166724 502952976 /nfs/dbraw/zinc/95/29/76/502952976.db2.gz UCGNDTFVEAHPFJ-SFHVURJKSA-N 1 3 366.575 3.114 20 0 FGADHO CN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000497417607 502953893 /nfs/dbraw/zinc/95/38/93/502953893.db2.gz ODNLVOSBJUMSET-VXKWHMMOSA-N 1 3 363.505 3.110 20 0 FGADHO c1ccc(N2CCN(CCCN3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694615 502969733 /nfs/dbraw/zinc/96/97/33/502969733.db2.gz DKVNSALNPODSJF-HSZRJFAPSA-N 1 3 370.585 3.149 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491889 502971471 /nfs/dbraw/zinc/97/14/71/502971471.db2.gz FOQNXONCUOSHIS-ZVDOUQERSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491889 502971473 /nfs/dbraw/zinc/97/14/73/502971473.db2.gz FOQNXONCUOSHIS-ZVDOUQERSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802211 502989285 /nfs/dbraw/zinc/98/92/85/502989285.db2.gz NXZGUTGGUPTDTC-HNNXBMFYSA-N 1 3 371.978 3.209 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802211 502989288 /nfs/dbraw/zinc/98/92/88/502989288.db2.gz NXZGUTGGUPTDTC-HNNXBMFYSA-N 1 3 371.978 3.209 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513673505 502997544 /nfs/dbraw/zinc/99/75/44/502997544.db2.gz SMDFSZILBPXABR-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513673505 502997549 /nfs/dbraw/zinc/99/75/49/502997549.db2.gz SMDFSZILBPXABR-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513673505 502997553 /nfs/dbraw/zinc/99/75/53/502997553.db2.gz SMDFSZILBPXABR-IKGGRYGDSA-N 1 3 353.304 3.290 20 0 FGADHO CCc1cc(OC)ccc1C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000501428485 503008814 /nfs/dbraw/zinc/00/88/14/503008814.db2.gz ZRUWLUXHHUGYLU-UHFFFAOYSA-N 1 3 367.537 3.295 20 0 FGADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000509945850 503016374 /nfs/dbraw/zinc/01/63/74/503016374.db2.gz VCLXSMUHTJMXKE-FQEVSTJZSA-N 1 3 354.498 3.062 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000501491972 503020105 /nfs/dbraw/zinc/02/01/05/503020105.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000501491972 503020112 /nfs/dbraw/zinc/02/01/12/503020112.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 1 3 352.567 3.203 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000501548618 503034329 /nfs/dbraw/zinc/03/43/29/503034329.db2.gz ZPJQUTFCAUIHRI-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000501548618 503034332 /nfs/dbraw/zinc/03/43/32/503034332.db2.gz ZPJQUTFCAUIHRI-IAGOWNOFSA-N 1 3 364.559 3.059 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088518 503046419 /nfs/dbraw/zinc/04/64/19/503046419.db2.gz WLGKILJNKNUQRE-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088518 503046423 /nfs/dbraw/zinc/04/64/23/503046423.db2.gz WLGKILJNKNUQRE-OAQYLSRUSA-N 1 3 362.558 3.487 20 0 FGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810058 503046507 /nfs/dbraw/zinc/04/65/07/503046507.db2.gz XMOLKIOOCQIDAM-WOJBJXKFSA-N 1 3 358.526 3.263 20 0 FGADHO CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000514158527 503101640 /nfs/dbraw/zinc/10/16/40/503101640.db2.gz SAFBUHLUNIEOBM-UHFFFAOYSA-N 1 3 372.557 3.346 20 0 FGADHO C[N@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205763 503112315 /nfs/dbraw/zinc/11/23/15/503112315.db2.gz GKSOZWYOPCMIRS-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO C[N@@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205763 503112316 /nfs/dbraw/zinc/11/23/16/503112316.db2.gz GKSOZWYOPCMIRS-OAQYLSRUSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000501942315 503112506 /nfs/dbraw/zinc/11/25/06/503112506.db2.gz LGSDSSUTSANQNF-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030967 503130028 /nfs/dbraw/zinc/13/00/28/503130028.db2.gz IGUNVUUIYOVTDW-NJDAHSKKSA-N 1 3 357.542 3.442 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000510521249 503132559 /nfs/dbraw/zinc/13/25/59/503132559.db2.gz IAVFAIXFRLRBFZ-UWJYYQICSA-N 1 3 353.510 3.478 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000490219158 503134165 /nfs/dbraw/zinc/13/41/65/503134165.db2.gz WBPUFZWBJHXGLZ-AEFFLSMTSA-N 1 3 364.534 3.130 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155419 /nfs/dbraw/zinc/15/54/19/503155419.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155420 /nfs/dbraw/zinc/15/54/20/503155420.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000502231900 503167092 /nfs/dbraw/zinc/16/70/92/503167092.db2.gz NJBBNQCEPUGPMR-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405173 503180415 /nfs/dbraw/zinc/18/04/15/503180415.db2.gz ZBWZYTMSMHHQPR-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000514764117 503186860 /nfs/dbraw/zinc/18/68/60/503186860.db2.gz ZKHDNOWHWMKTDD-DLBZAZTESA-N 1 3 366.575 3.305 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000514764117 503186863 /nfs/dbraw/zinc/18/68/63/503186863.db2.gz ZKHDNOWHWMKTDD-DLBZAZTESA-N 1 3 366.575 3.305 20 0 FGADHO CC1CC[NH+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000502777819 503269624 /nfs/dbraw/zinc/26/96/24/503269624.db2.gz YREZHNZEKULZRV-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295054 /nfs/dbraw/zinc/29/50/54/503295054.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295056 /nfs/dbraw/zinc/29/50/56/503295056.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H](O)C(F)(F)F ZINC000507510239 503311519 /nfs/dbraw/zinc/31/15/19/503311519.db2.gz MRMQYPRPESFUJT-UYTYNIKBSA-N 1 3 356.432 3.188 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)NCCN2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441899 503323241 /nfs/dbraw/zinc/32/32/41/503323241.db2.gz VMAJHGOKSKTSDQ-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)NCCN2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441899 503323245 /nfs/dbraw/zinc/32/32/45/503323245.db2.gz VMAJHGOKSKTSDQ-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[N@H+](C)C1CC1 ZINC000511562920 503343646 /nfs/dbraw/zinc/34/36/46/503343646.db2.gz XFXRSVABDWITCM-YLJYHZDGSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[N@@H+](C)C1CC1 ZINC000511562920 503343649 /nfs/dbraw/zinc/34/36/49/503343649.db2.gz XFXRSVABDWITCM-YLJYHZDGSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480695 503347317 /nfs/dbraw/zinc/34/73/17/503347317.db2.gz UFNANGDMONGKON-IRXDYDNUSA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480695 503347319 /nfs/dbraw/zinc/34/73/19/503347319.db2.gz UFNANGDMONGKON-IRXDYDNUSA-N 1 3 365.949 3.397 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480695 503347323 /nfs/dbraw/zinc/34/73/23/503347323.db2.gz UFNANGDMONGKON-IRXDYDNUSA-N 1 3 365.949 3.397 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)N(C)C)cc1 ZINC000503214205 503368351 /nfs/dbraw/zinc/36/83/51/503368351.db2.gz CBOSSUAWJKUWLX-FQEVSTJZSA-N 1 3 362.562 3.358 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417016 /nfs/dbraw/zinc/41/70/16/503417016.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417017 /nfs/dbraw/zinc/41/70/17/503417017.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 1 3 364.578 3.157 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1ccccc1 ZINC000499511283 503422080 /nfs/dbraw/zinc/42/20/80/503422080.db2.gz ZUMGOTACBZSGIA-GOSISDBHSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1ccccc1 ZINC000499511283 503422082 /nfs/dbraw/zinc/42/20/82/503422082.db2.gz ZUMGOTACBZSGIA-GOSISDBHSA-N 1 3 363.571 3.043 20 0 FGADHO CC[C@@H]1C[C@@H](C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000503575875 503439837 /nfs/dbraw/zinc/43/98/37/503439837.db2.gz LAOUONKRKHHKGO-XZOQPEGZSA-N 1 3 373.585 3.379 20 0 FGADHO CN(C)Cc1cnc(CNCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000512083376 503453048 /nfs/dbraw/zinc/45/30/48/503453048.db2.gz JYQGVOLRYKBNOH-UHFFFAOYSA-N 1 3 364.584 3.268 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000503737403 503466826 /nfs/dbraw/zinc/46/68/26/503466826.db2.gz PEPXABHAGSMGPQ-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC000499887297 503502597 /nfs/dbraw/zinc/50/25/97/503502597.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC000499887297 503502602 /nfs/dbraw/zinc/50/26/02/503502602.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 1 3 357.542 3.374 20 0 FGADHO Cn1c2ccc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506941 /nfs/dbraw/zinc/50/69/41/503506941.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 1 3 365.477 3.085 20 0 FGADHO Cn1c2ccc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506944 /nfs/dbraw/zinc/50/69/44/503506944.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 1 3 365.477 3.085 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000516560583 503536055 /nfs/dbraw/zinc/53/60/55/503536055.db2.gz TXZHOMCPMNZCJH-DYESRHJHSA-N 1 3 360.546 3.058 20 0 FGADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000504207398 503538637 /nfs/dbraw/zinc/53/86/37/503538637.db2.gz IKDKIRJGOBXUHC-HDICACEKSA-N 1 3 358.530 3.028 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545915 /nfs/dbraw/zinc/54/59/15/503545915.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545919 /nfs/dbraw/zinc/54/59/19/503545919.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718615 503550500 /nfs/dbraw/zinc/55/05/00/503550500.db2.gz OAYQZDJIDHIINS-DZFGPLHGSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718615 503550503 /nfs/dbraw/zinc/55/05/03/503550503.db2.gz OAYQZDJIDHIINS-DZFGPLHGSA-N 1 3 366.505 3.499 20 0 FGADHO C[C@@H](O)C[C@@H]1CCCCCN1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551110 /nfs/dbraw/zinc/55/11/10/503551110.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@@H]1CCCCCN1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551113 /nfs/dbraw/zinc/55/11/13/503551113.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551115 /nfs/dbraw/zinc/55/11/15/503551115.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 1 3 354.579 3.408 20 0 FGADHO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCCN1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551119 /nfs/dbraw/zinc/55/11/19/503551119.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 1 3 354.579 3.408 20 0 FGADHO Cn1c2ccc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc2oc1=O ZINC000508857503 503580333 /nfs/dbraw/zinc/58/03/33/503580333.db2.gz PYPRKLCTKXQIFQ-UHFFFAOYSA-N 1 3 357.498 3.220 20 0 FGADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000508869737 503583559 /nfs/dbraw/zinc/58/35/59/503583559.db2.gz YWTQARDQAIWNFM-PBASOCQRSA-N 1 3 372.557 3.335 20 0 FGADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)CC2 ZINC000508869737 503583565 /nfs/dbraw/zinc/58/35/65/503583565.db2.gz YWTQARDQAIWNFM-PBASOCQRSA-N 1 3 372.557 3.335 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)N(C)C ZINC000508891138 503590076 /nfs/dbraw/zinc/59/00/76/503590076.db2.gz ARUIOSUCCZJVOE-MJGOQNOKSA-N 1 3 360.546 3.017 20 0 FGADHO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901102 503594931 /nfs/dbraw/zinc/59/49/31/503594931.db2.gz UEWPCOAGWWMEDW-GHTZIAJQSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508905451 503596489 /nfs/dbraw/zinc/59/64/89/503596489.db2.gz KXSAPUOXNAFUGD-QUCCMNQESA-N 1 3 360.546 3.195 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118873 503674793 /nfs/dbraw/zinc/67/47/93/503674793.db2.gz JCBBIVCBZMNFFM-LSDHHAIUSA-N 1 3 371.978 3.380 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118873 503674799 /nfs/dbraw/zinc/67/47/99/503674799.db2.gz JCBBIVCBZMNFFM-LSDHHAIUSA-N 1 3 371.978 3.380 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000517245556 503692714 /nfs/dbraw/zinc/69/27/14/503692714.db2.gz UOIQKIOBQQWWJQ-IOMROCGXSA-N 1 3 361.574 3.220 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719769 503695200 /nfs/dbraw/zinc/69/52/00/503695200.db2.gz ZZFTWYIGODCOCU-IBGZPJMESA-N 1 3 369.553 3.411 20 0 FGADHO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cccc(OCCN(C)C)c1 ZINC000536832825 503735876 /nfs/dbraw/zinc/73/58/76/503735876.db2.gz KVUPKTYLCKICDB-MRXNPFEDSA-N 1 3 354.498 3.188 20 0 FGADHO C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000517680550 503805912 /nfs/dbraw/zinc/80/59/12/503805912.db2.gz FCAPCWIOABYQIJ-LJQANCHMSA-N 1 3 371.569 3.130 20 0 FGADHO CCC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000543593247 503823848 /nfs/dbraw/zinc/82/38/48/503823848.db2.gz MGOCUVKLRVHYAR-OAQYLSRUSA-N 1 3 353.514 3.120 20 0 FGADHO COC(=O)c1coc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634401 503835272 /nfs/dbraw/zinc/83/52/72/503835272.db2.gz ZCCQXKCFWIZPEJ-FUHWJXTLSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1coc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634401 503835275 /nfs/dbraw/zinc/83/52/75/503835275.db2.gz ZCCQXKCFWIZPEJ-FUHWJXTLSA-N 1 3 356.466 3.457 20 0 FGADHO C[N@H+]1CC=C(CNCc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000540644183 503843369 /nfs/dbraw/zinc/84/33/69/503843369.db2.gz DJDXRIKAZDMYMG-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO C[N@@H+]1CC=C(CNCc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000540644183 503843375 /nfs/dbraw/zinc/84/33/75/503843375.db2.gz DJDXRIKAZDMYMG-UHFFFAOYSA-N 1 3 361.230 3.402 20 0 FGADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1CCCCC1 ZINC000517812455 503843605 /nfs/dbraw/zinc/84/36/05/503843605.db2.gz XRWRZCVCVDELNE-LEWJYISDSA-N 1 3 363.590 3.467 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCN1C1CCCC1 ZINC000527637319 503869112 /nfs/dbraw/zinc/86/91/12/503869112.db2.gz YLKIMPLSUOJLGR-NRFANRHFSA-N 1 3 370.541 3.099 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000540747231 503877094 /nfs/dbraw/zinc/87/70/94/503877094.db2.gz MZONEOGFOHOTMO-PBHICJAKSA-N 1 3 373.463 3.449 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000527659962 503881540 /nfs/dbraw/zinc/88/15/40/503881540.db2.gz NKVRPRSAKUROOD-PKTZIBPZSA-N 1 3 373.585 3.083 20 0 FGADHO FC(F)(F)Oc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240452 503890026 /nfs/dbraw/zinc/89/00/26/503890026.db2.gz LDPOXCAMHKQULA-QGZVFWFLSA-N 1 3 358.404 3.176 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023370 503891534 /nfs/dbraw/zinc/89/15/34/503891534.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023370 503891539 /nfs/dbraw/zinc/89/15/39/503891539.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 1 3 370.541 3.138 20 0 FGADHO Clc1ccc(-n2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249318 503894395 /nfs/dbraw/zinc/89/43/95/503894395.db2.gz VEUXEYUMAZWTRZ-FQEVSTJZSA-N 1 3 374.916 3.116 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000533622303 503903360 /nfs/dbraw/zinc/90/33/60/503903360.db2.gz KLBYNOXWNVPICW-IBGZPJMESA-N 1 3 372.557 3.213 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000533622303 503903365 /nfs/dbraw/zinc/90/33/65/503903365.db2.gz KLBYNOXWNVPICW-IBGZPJMESA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1 ZINC000537487863 503930675 /nfs/dbraw/zinc/93/06/75/503930675.db2.gz UDBXAMJZSOMDBD-JXFKEZNVSA-N 1 3 373.928 3.280 20 0 FGADHO C/C(=C\c1ccccc1)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000518274285 503941169 /nfs/dbraw/zinc/94/11/69/503941169.db2.gz RKDDWPWQSOYUKN-CZIZESTLSA-N 1 3 350.510 3.287 20 0 FGADHO CN1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986799 504010195 /nfs/dbraw/zinc/01/01/95/504010195.db2.gz VISIPKMMKBLGGP-SFTDATJTSA-N 1 3 370.541 3.092 20 0 FGADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCCC2 ZINC000518607495 504025985 /nfs/dbraw/zinc/02/59/85/504025985.db2.gz CQEMYWWKZCFIBW-VQTJNVASSA-N 1 3 361.530 3.240 20 0 FGADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849232 504063864 /nfs/dbraw/zinc/06/38/64/504063864.db2.gz HGSYRJVEPGXOFB-LJQANCHMSA-N 1 3 363.590 3.467 20 0 FGADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849232 504063868 /nfs/dbraw/zinc/06/38/68/504063868.db2.gz HGSYRJVEPGXOFB-LJQANCHMSA-N 1 3 363.590 3.467 20 0 FGADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000544303739 504079982 /nfs/dbraw/zinc/07/99/82/504079982.db2.gz SCKOXEDPRNAKGZ-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000537971273 504099885 /nfs/dbraw/zinc/09/98/85/504099885.db2.gz GNZDJRUNOKZWHV-YYTDSSBASA-N 1 3 373.585 3.376 20 0 FGADHO Cc1ccc(NC(=O)CNC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000518967630 504105548 /nfs/dbraw/zinc/10/55/48/504105548.db2.gz GMGGHMRHEIWCEW-UHFFFAOYSA-N 1 3 358.873 3.241 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000518985194 504110538 /nfs/dbraw/zinc/11/05/38/504110538.db2.gz QNCKBHWHNVROOZ-ZVXPMLRVSA-N 1 3 369.553 3.278 20 0 FGADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542755 504170216 /nfs/dbraw/zinc/17/02/16/504170216.db2.gz DEVMTXRDFFUSPR-NHCUHLMSSA-N 1 3 357.473 3.137 20 0 FGADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542755 504170221 /nfs/dbraw/zinc/17/02/21/504170221.db2.gz DEVMTXRDFFUSPR-NHCUHLMSSA-N 1 3 357.473 3.137 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118836 504195794 /nfs/dbraw/zinc/19/57/94/504195794.db2.gz COHCLOYXGMNYRF-SJORKVTESA-N 1 3 372.340 3.049 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519483983 504230593 /nfs/dbraw/zinc/23/05/93/504230593.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519483983 504230594 /nfs/dbraw/zinc/23/05/94/504230594.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535013337 504313307 /nfs/dbraw/zinc/31/33/07/504313307.db2.gz YQKQMLYIASTUEH-YLJYHZDGSA-N 1 3 365.949 3.067 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083715 504323902 /nfs/dbraw/zinc/32/39/02/504323902.db2.gz ZZEBTPWYRFQFEJ-SESVDKBCSA-N 1 3 357.542 3.306 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083715 504323907 /nfs/dbraw/zinc/32/39/07/504323907.db2.gz ZZEBTPWYRFQFEJ-SESVDKBCSA-N 1 3 357.542 3.306 20 0 FGADHO COc1ccc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1F ZINC000528680002 504328158 /nfs/dbraw/zinc/32/81/58/504328158.db2.gz QQBMVYIHSGLAKD-UHFFFAOYSA-N 1 3 351.510 3.075 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751898 504359005 /nfs/dbraw/zinc/35/90/05/504359005.db2.gz VMMMTSXERIOUAI-LJQANCHMSA-N 1 3 360.477 3.149 20 0 FGADHO CN1CC[NH+](CC2CCN(CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000519844426 504360771 /nfs/dbraw/zinc/36/07/71/504360771.db2.gz GDSOGQFPFFAQOA-UHFFFAOYSA-N 1 3 367.940 3.371 20 0 FGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071684 504464499 /nfs/dbraw/zinc/46/44/99/504464499.db2.gz YJDAHTCKFGEOBQ-GBESFXJTSA-N 1 3 361.530 3.191 20 0 FGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000539071329 504464752 /nfs/dbraw/zinc/46/47/52/504464752.db2.gz RTPHUWNFDLTJFT-JOCHJYFZSA-N 1 3 367.537 3.397 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000531953503 504485683 /nfs/dbraw/zinc/48/56/83/504485683.db2.gz MUFOFJLGHOIDGW-ZJOUEHCJSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000531953503 504485689 /nfs/dbraw/zinc/48/56/89/504485689.db2.gz MUFOFJLGHOIDGW-ZJOUEHCJSA-N 1 3 359.558 3.164 20 0 FGADHO C[C@@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730145 504544978 /nfs/dbraw/zinc/54/49/78/504544978.db2.gz NGFVXKUYIDUCRT-WIYYLYMNSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730144 504545108 /nfs/dbraw/zinc/54/51/08/504545108.db2.gz NGFVXKUYIDUCRT-RXVVDRJESA-N 1 3 357.542 3.409 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)C12CCCN1CCC2 ZINC000548747700 504550786 /nfs/dbraw/zinc/55/07/86/504550786.db2.gz PDMIUNPONLXAEO-UHFFFAOYSA-N 1 3 355.526 3.307 20 0 FGADHO CN1CCC2(CC1)C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccccc1O2 ZINC000539395115 504555657 /nfs/dbraw/zinc/55/56/57/504555657.db2.gz GJWFFCFIKKTIBO-HXUWFJFHSA-N 1 3 357.542 3.439 20 0 FGADHO CN1CCC2(CC1)C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccccc1O2 ZINC000539395115 504555662 /nfs/dbraw/zinc/55/56/62/504555662.db2.gz GJWFFCFIKKTIBO-HXUWFJFHSA-N 1 3 357.542 3.439 20 0 FGADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200768 504571230 /nfs/dbraw/zinc/57/12/30/504571230.db2.gz BOXJNOURNXNWQL-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200768 504571235 /nfs/dbraw/zinc/57/12/35/504571235.db2.gz BOXJNOURNXNWQL-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000532200768 504571240 /nfs/dbraw/zinc/57/12/40/504571240.db2.gz BOXJNOURNXNWQL-INIZCTEOSA-N 1 3 353.938 3.397 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)CCN(C)c1ccncc1)c1ccccc1 ZINC000542784676 504609476 /nfs/dbraw/zinc/60/94/76/504609476.db2.gz WCZAMTFJXCMVOE-KRWDZBQOSA-N 1 3 354.498 3.154 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000539602726 504622912 /nfs/dbraw/zinc/62/29/12/504622912.db2.gz PSGJAMXDUBUWEK-HXUWFJFHSA-N 1 3 360.546 3.197 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823084 504625701 /nfs/dbraw/zinc/62/57/01/504625701.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823084 504625705 /nfs/dbraw/zinc/62/57/05/504625705.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633962 /nfs/dbraw/zinc/63/39/62/504633962.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 1 3 372.557 3.099 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633968 /nfs/dbraw/zinc/63/39/68/504633968.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 1 3 372.557 3.099 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536170730 504656421 /nfs/dbraw/zinc/65/64/21/504656421.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 1 3 372.557 3.386 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536170730 504656427 /nfs/dbraw/zinc/65/64/27/504656427.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000549159805 504707407 /nfs/dbraw/zinc/70/74/07/504707407.db2.gz VEUDWCAMZWSHMA-QQFNCUIESA-N 1 3 369.553 3.386 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000539861235 504720305 /nfs/dbraw/zinc/72/03/05/504720305.db2.gz GDMCBPYTBANWAT-UHFFFAOYSA-N 1 3 356.514 3.400 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000521380927 504724290 /nfs/dbraw/zinc/72/42/90/504724290.db2.gz MQJOFHITWCKCCV-OALUTQOASA-N 1 3 359.558 3.176 20 0 FGADHO CC[N@H+](CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000532660884 504728503 /nfs/dbraw/zinc/72/85/03/504728503.db2.gz ZDAMVJNIRLMYAR-UHFFFAOYSA-N 1 3 374.529 3.157 20 0 FGADHO CC[N@@H+](CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000532660884 504728506 /nfs/dbraw/zinc/72/85/06/504728506.db2.gz ZDAMVJNIRLMYAR-UHFFFAOYSA-N 1 3 374.529 3.157 20 0 FGADHO Cc1ccc(OC[C@@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000532778759 504757184 /nfs/dbraw/zinc/75/71/84/504757184.db2.gz GLLXCBDMVVGNOB-NRFANRHFSA-N 1 3 360.542 3.323 20 0 FGADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565302954 504849374 /nfs/dbraw/zinc/84/93/74/504849374.db2.gz ICRPPJGHRZBFLN-HOTGVXAUSA-N 1 3 371.506 3.360 20 0 FGADHO O=C(CN[C@H](c1ccc(F)cc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000553258291 504865967 /nfs/dbraw/zinc/86/59/67/504865967.db2.gz KQPCZAGREGNXAH-QFIPXVFZSA-N 1 3 373.516 3.390 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC000562661940 504899038 /nfs/dbraw/zinc/89/90/38/504899038.db2.gz LRLWYTZWTPHWSN-UHFFFAOYSA-N 1 3 365.493 3.359 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1F ZINC000562661940 504899042 /nfs/dbraw/zinc/89/90/42/504899042.db2.gz LRLWYTZWTPHWSN-UHFFFAOYSA-N 1 3 365.493 3.359 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1 ZINC000553708645 504988624 /nfs/dbraw/zinc/98/86/24/504988624.db2.gz XLDFRHPHDBLCFJ-HLAWJBBLSA-N 1 3 372.557 3.338 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857728 504997364 /nfs/dbraw/zinc/99/73/64/504997364.db2.gz GFILJYBNRBUNOA-KRWDZBQOSA-N 1 3 353.501 3.293 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000562994212 505012769 /nfs/dbraw/zinc/01/27/69/505012769.db2.gz AQLHCYTXKCZAAY-UWJYYQICSA-N 1 3 372.484 3.381 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000563003977 505016501 /nfs/dbraw/zinc/01/65/01/505016501.db2.gz ZAPRWCOXGUQGIG-MRXNPFEDSA-N 1 3 354.922 3.100 20 0 FGADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563092022 505045774 /nfs/dbraw/zinc/04/57/74/505045774.db2.gz IHIMDTUOPDFTAT-FCHUYYIVSA-N 1 3 374.488 3.107 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109020 505084067 /nfs/dbraw/zinc/08/40/67/505084067.db2.gz JWMLNTRRFSVLQH-LJQANCHMSA-N 1 3 367.493 3.149 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109020 505084072 /nfs/dbraw/zinc/08/40/72/505084072.db2.gz JWMLNTRRFSVLQH-LJQANCHMSA-N 1 3 367.493 3.149 20 0 FGADHO COc1ccc2c(c1)C[C@H](NCc1ccncc1OCCC[NH+](C)C)CC2 ZINC000563275291 505093004 /nfs/dbraw/zinc/09/30/04/505093004.db2.gz PEHXUUGOEDUUPT-HXUWFJFHSA-N 1 3 369.509 3.068 20 0 FGADHO CN(C)C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000560506141 505107385 /nfs/dbraw/zinc/10/73/85/505107385.db2.gz IZDGMQZENDXBTM-HKUYNNGSSA-N 1 3 365.949 3.366 20 0 FGADHO CN(C)C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506141 505107386 /nfs/dbraw/zinc/10/73/86/505107386.db2.gz IZDGMQZENDXBTM-HKUYNNGSSA-N 1 3 365.949 3.366 20 0 FGADHO Cc1cc(NC(=O)c2ccccc2CC[NH3+])ccc1OCCN1CCCC1 ZINC000563339009 505112696 /nfs/dbraw/zinc/11/26/96/505112696.db2.gz NBLVYNTZQCPSLM-UHFFFAOYSA-N 1 3 367.493 3.223 20 0 FGADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209651 505112835 /nfs/dbraw/zinc/11/28/35/505112835.db2.gz UUBSEIWAEICJRN-PKOBYXMFSA-N 1 3 373.516 3.028 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccco1 ZINC000554255266 505126730 /nfs/dbraw/zinc/12/67/30/505126730.db2.gz RCUYTHSPCVNYFX-IAGOWNOFSA-N 1 3 364.534 3.273 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C4CCCCC4)C3)CC2)CC1 ZINC000563395203 505131649 /nfs/dbraw/zinc/13/16/49/505131649.db2.gz BMBVKQXMGDJONQ-UHFFFAOYSA-N 1 3 361.574 3.221 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000554450063 505176318 /nfs/dbraw/zinc/17/63/18/505176318.db2.gz JOSIMXVIDVMLOJ-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000554450063 505176319 /nfs/dbraw/zinc/17/63/19/505176319.db2.gz JOSIMXVIDVMLOJ-DLBZAZTESA-N 1 3 364.559 3.059 20 0 FGADHO CN(CCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccco1 ZINC000554450146 505176331 /nfs/dbraw/zinc/17/63/31/505176331.db2.gz TZAACEUYQLVFNM-FQEVSTJZSA-N 1 3 372.513 3.046 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000557627992 505186340 /nfs/dbraw/zinc/18/63/40/505186340.db2.gz NPGZNSUJMSEQOB-SFTDATJTSA-N 1 3 361.574 3.268 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556289 505205264 /nfs/dbraw/zinc/20/52/64/505205264.db2.gz JXBZIQDJDRVUQV-VUVIGMMVSA-N 1 3 366.933 3.385 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNCCC(=O)Nc2ccc(C)cn2)cc1 ZINC000566600692 505218430 /nfs/dbraw/zinc/21/84/30/505218430.db2.gz QMFXOLWKEFRIMO-UHFFFAOYSA-N 1 3 354.498 3.350 20 0 FGADHO CCOC(=O)C1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCC1 ZINC000563779982 505235940 /nfs/dbraw/zinc/23/59/40/505235940.db2.gz GUPXUVGDWGFOQR-GOSISDBHSA-N 1 3 358.526 3.405 20 0 FGADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000563804543 505243420 /nfs/dbraw/zinc/24/34/20/505243420.db2.gz YSNBVKZYIRVQGK-VNTMZGSJSA-N 1 3 356.514 3.193 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)CC1 ZINC000561108570 505252127 /nfs/dbraw/zinc/25/21/27/505252127.db2.gz BGKHWYFHYIJHHF-UHFFFAOYSA-N 1 3 366.509 3.370 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276772 /nfs/dbraw/zinc/27/67/72/505276772.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 1 3 364.489 3.412 20 0 FGADHO c1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276774 /nfs/dbraw/zinc/27/67/74/505276774.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 1 3 364.489 3.412 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008593 505300859 /nfs/dbraw/zinc/30/08/59/505300859.db2.gz LHVXGOAAGFURFM-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008593 505300863 /nfs/dbraw/zinc/30/08/63/505300863.db2.gz LHVXGOAAGFURFM-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008593 505300865 /nfs/dbraw/zinc/30/08/65/505300865.db2.gz LHVXGOAAGFURFM-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO C[C@H](CCc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000567085682 505359754 /nfs/dbraw/zinc/35/97/54/505359754.db2.gz DZSHPUXMGLKGNM-MEMABINQSA-N 1 3 355.570 3.498 20 0 FGADHO C[C@H](CCc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000567085682 505359757 /nfs/dbraw/zinc/35/97/57/505359757.db2.gz DZSHPUXMGLKGNM-MEMABINQSA-N 1 3 355.570 3.498 20 0 FGADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000555230804 505385210 /nfs/dbraw/zinc/38/52/10/505385210.db2.gz HBZLIHPJBALKHG-CRAIPNDOSA-N 1 3 351.922 3.323 20 0 FGADHO Cc1cccc2ncc(CN3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091502 505396176 /nfs/dbraw/zinc/39/61/76/505396176.db2.gz PAYWVPUXOIUTMR-OALUTQOASA-N 1 3 370.541 3.354 20 0 FGADHO Cc1cccc2ncc(CN3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091501 505396513 /nfs/dbraw/zinc/39/65/13/505396513.db2.gz PAYWVPUXOIUTMR-KDURUIRLSA-N 1 3 370.541 3.354 20 0 FGADHO Cc1cccc2ncc(CN3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091501 505396516 /nfs/dbraw/zinc/39/65/16/505396516.db2.gz PAYWVPUXOIUTMR-KDURUIRLSA-N 1 3 370.541 3.354 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000567221098 505398686 /nfs/dbraw/zinc/39/86/86/505398686.db2.gz JUPQWAPPGFTJAV-QFIPXVFZSA-N 1 3 371.500 3.363 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000567221098 505398691 /nfs/dbraw/zinc/39/86/91/505398691.db2.gz JUPQWAPPGFTJAV-QFIPXVFZSA-N 1 3 371.500 3.363 20 0 FGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000558483044 505404703 /nfs/dbraw/zinc/40/47/03/505404703.db2.gz UUKHISVMZZSUFU-PEZBUJJGSA-N 1 3 367.484 3.307 20 0 FGADHO C[N@@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284056 505418254 /nfs/dbraw/zinc/41/82/54/505418254.db2.gz AMBHTAZMRQERCA-NHCUHLMSSA-N 1 3 351.494 3.118 20 0 FGADHO C[N@H+]1CC[C@@H](NCCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284056 505418255 /nfs/dbraw/zinc/41/82/55/505418255.db2.gz AMBHTAZMRQERCA-NHCUHLMSSA-N 1 3 351.494 3.118 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000561727352 505419856 /nfs/dbraw/zinc/41/98/56/505419856.db2.gz UAJZVTFPBIPKFU-FPXQBCRKSA-N 1 3 363.571 3.389 20 0 FGADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552251224 505441498 /nfs/dbraw/zinc/44/14/98/505441498.db2.gz OHOAJYMMSWYNDZ-QHAWAJNXSA-N 1 3 357.542 3.135 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000558828675 505504351 /nfs/dbraw/zinc/50/43/51/505504351.db2.gz IOSXGUZKIFNTEP-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO c1ccc(CN2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)nc1 ZINC000552578445 505516902 /nfs/dbraw/zinc/51/69/02/505516902.db2.gz BZAAVGFENLTVNR-UHFFFAOYSA-N 1 3 356.558 3.290 20 0 FGADHO c1cn(Cc2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642318 505522468 /nfs/dbraw/zinc/52/24/68/505522468.db2.gz GUTAMADXAYRNND-JTHBVZDNSA-N 1 3 374.488 3.277 20 0 FGADHO Clc1cccc([C@@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)c1 ZINC000564839758 505534591 /nfs/dbraw/zinc/53/45/91/505534591.db2.gz BPOSWFSJOQCPFR-NVXWUHKLSA-N 1 3 359.905 3.351 20 0 FGADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 ZINC000562200833 505538394 /nfs/dbraw/zinc/53/83/94/505538394.db2.gz RZRGPGNFNDZGGJ-NRFANRHFSA-N 1 3 374.573 3.271 20 0 FGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(I)cc1 ZINC000596651198 506512098 /nfs/dbraw/zinc/51/20/98/506512098.db2.gz BFOYLCBIXBYEPT-GJZGRUSLSA-N 1 3 358.267 3.083 20 0 FGADHO CCC(CC)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCC1 ZINC000612338826 506534418 /nfs/dbraw/zinc/53/44/18/506534418.db2.gz OVHVRFQCMBEGKX-HXUWFJFHSA-N 1 3 364.578 3.157 20 0 FGADHO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OCCN(C)C)cc3)c2c1 ZINC000603515525 506539412 /nfs/dbraw/zinc/53/94/12/506539412.db2.gz BUDHCCBEIHGLMU-UHFFFAOYSA-N 1 3 367.493 3.449 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000583091206 506584469 /nfs/dbraw/zinc/58/44/69/506584469.db2.gz LJNCFBCJTWEYAB-NQIIRXRSSA-N 1 3 365.521 3.313 20 0 FGADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000608685390 506665190 /nfs/dbraw/zinc/66/51/90/506665190.db2.gz PYQHTRLXMWDFKU-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000608688414 506665305 /nfs/dbraw/zinc/66/53/05/506665305.db2.gz IZSXOWCBIOPRFL-UXHICEINSA-N 1 3 374.573 3.269 20 0 FGADHO CCOc1ccccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583330537 506720965 /nfs/dbraw/zinc/72/09/65/506720965.db2.gz CTCVLUYGOYHXDD-UHFFFAOYSA-N 1 3 359.514 3.220 20 0 FGADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590125928 506743488 /nfs/dbraw/zinc/74/34/88/506743488.db2.gz VQYPVHRPBBVAFL-OAHLLOKOSA-N 1 3 361.313 3.007 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000590125806 506743903 /nfs/dbraw/zinc/74/39/03/506743903.db2.gz NMHFLCXIUWLFRP-FQEVSTJZSA-N 1 3 362.558 3.306 20 0 FGADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000597231284 506850188 /nfs/dbraw/zinc/85/01/88/506850188.db2.gz PUGWUYLKMPCCIR-LJQANCHMSA-N 1 3 358.526 3.468 20 0 FGADHO CNC(=O)c1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901253 /nfs/dbraw/zinc/90/12/53/506901253.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 1 3 363.505 3.000 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901261 /nfs/dbraw/zinc/90/12/61/506901261.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 1 3 363.505 3.000 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594105048 506941119 /nfs/dbraw/zinc/94/11/19/506941119.db2.gz WYUQRGYNLLJWOF-SFHLNBCPSA-N 1 3 372.557 3.213 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000594310436 507074848 /nfs/dbraw/zinc/07/48/48/507074848.db2.gz FJHJUTVSVAUZDT-RTBURBONSA-N 1 3 366.594 3.403 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000594310436 507074857 /nfs/dbraw/zinc/07/48/57/507074857.db2.gz FJHJUTVSVAUZDT-RTBURBONSA-N 1 3 366.594 3.403 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCCC1 ZINC000591558648 507292304 /nfs/dbraw/zinc/29/23/04/507292304.db2.gz XVPFFNSZPMWCRP-NHCUHLMSSA-N 1 3 372.557 3.243 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000594901604 507308930 /nfs/dbraw/zinc/30/89/30/507308930.db2.gz MNMSLCGCFUSACE-NRFANRHFSA-N 1 3 370.541 3.321 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)on2)cc1 ZINC000584460447 507358387 /nfs/dbraw/zinc/35/83/87/507358387.db2.gz IAYZTGDWBRTHQV-NQIIRXRSSA-N 1 3 355.482 3.368 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1C ZINC000595069615 507378180 /nfs/dbraw/zinc/37/81/80/507378180.db2.gz ZWGPAXUPHWHVKV-JRGCBEDISA-N 1 3 373.541 3.251 20 0 FGADHO Cc1ccccc1C[C@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CC1 ZINC000584684136 507448745 /nfs/dbraw/zinc/44/87/45/507448745.db2.gz UXFNSXGKFPKRNK-NRFANRHFSA-N 1 3 353.510 3.441 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381563 507475758 /nfs/dbraw/zinc/47/57/58/507475758.db2.gz LJGYPJYMASMKDO-QGZVFWFLSA-N 1 3 361.530 3.010 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)n2c1CCCC2 ZINC000598640838 507529893 /nfs/dbraw/zinc/52/98/93/507529893.db2.gz OIANALJTKKYUBO-KRWDZBQOSA-N 1 3 361.530 3.355 20 0 FGADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)n2c1CCCC2 ZINC000598640838 507529899 /nfs/dbraw/zinc/52/98/99/507529899.db2.gz OIANALJTKKYUBO-KRWDZBQOSA-N 1 3 361.530 3.355 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055831 507599611 /nfs/dbraw/zinc/59/96/11/507599611.db2.gz GQKHDHUVHGJLRA-LJQANCHMSA-N 1 3 372.557 3.445 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055831 507599614 /nfs/dbraw/zinc/59/96/14/507599614.db2.gz GQKHDHUVHGJLRA-LJQANCHMSA-N 1 3 372.557 3.445 20 0 FGADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645035 /nfs/dbraw/zinc/64/50/35/507645035.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645039 /nfs/dbraw/zinc/64/50/39/507645039.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000607246883 507670329 /nfs/dbraw/zinc/67/03/29/507670329.db2.gz SWIQGJJTHZLHNT-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662396 516710163 /nfs/dbraw/zinc/71/01/63/516710163.db2.gz VDCFAZCNGKFTBE-PWRODBHTSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662396 516710169 /nfs/dbraw/zinc/71/01/69/516710169.db2.gz VDCFAZCNGKFTBE-PWRODBHTSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662396 516710172 /nfs/dbraw/zinc/71/01/72/516710172.db2.gz VDCFAZCNGKFTBE-PWRODBHTSA-N 1 3 365.525 3.169 20 0 FGADHO c1ccc2nc(NCCN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225894 517658134 /nfs/dbraw/zinc/65/81/34/517658134.db2.gz HMEMNGQTCXHWIK-REWPJTCUSA-N 1 3 374.488 3.492 20 0 FGADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000637137967 568439381 /nfs/dbraw/zinc/43/93/81/568439381.db2.gz WALYTUBBZJAJIB-PKOBYXMFSA-N 1 3 360.546 3.194 20 0 FGADHO O=C([O-])CCCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000833773026 605219578 /nfs/dbraw/zinc/21/95/78/605219578.db2.gz GHVUOVDZTKDOJL-UHFFFAOYSA-N 1 3 373.541 3.091 20 0 FGADHO CC1CC[NH+](C2CCC([NH2+]Cc3cc(-c4nnn[n-]4)cs3)CC2)CC1 ZINC000824954506 607753771 /nfs/dbraw/zinc/75/37/71/607753771.db2.gz KRPMDEOBDCEWFR-UHFFFAOYSA-N 1 3 360.531 3.061 20 0 FGADHO CC1CC[NH+](C2CCC([NH2+]Cc3cc(-c4nn[n-]n4)cs3)CC2)CC1 ZINC000824954506 607753772 /nfs/dbraw/zinc/75/37/72/607753772.db2.gz KRPMDEOBDCEWFR-UHFFFAOYSA-N 1 3 360.531 3.061 20 0 FGADHO C[NH+]1CCC(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000105454114 700501077 /nfs/dbraw/zinc/50/10/77/700501077.db2.gz QTAXXGQQXLVBIM-UHFFFAOYSA-N 1 3 359.495 3.360 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155728086 705089032 /nfs/dbraw/zinc/08/90/32/705089032.db2.gz ANFNZZJMHBVUMM-PBHICJAKSA-N 1 3 353.963 3.493 20 0 FGADHO C[C@H]1CCCCN1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549957 705627711 /nfs/dbraw/zinc/62/77/11/705627711.db2.gz MJMPTVCVPKGVQL-KRWDZBQOSA-N 1 3 353.551 3.488 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905426 713613467 /nfs/dbraw/zinc/61/34/67/713613467.db2.gz FETORUJUQIYBKW-FGTMMUONSA-N 1 3 353.551 3.391 20 0 FGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000271556265 713753370 /nfs/dbraw/zinc/75/33/70/713753370.db2.gz VVVSKRXCSVMADV-OKZBNKHCSA-N 1 3 350.503 3.330 20 0 FGADHO FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000394117849 713990850 /nfs/dbraw/zinc/99/08/50/713990850.db2.gz XYONRTHRFXEHKF-MRXNPFEDSA-N 1 3 352.404 3.057 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851900 714152052 /nfs/dbraw/zinc/15/20/52/714152052.db2.gz QAHVNXKXBGCVHV-INIZCTEOSA-N 1 3 351.560 3.360 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000642630905 717985755 /nfs/dbraw/zinc/98/57/55/717985755.db2.gz QPRSQXCHIPQCLG-BPUTZDHNSA-N 1 3 365.905 3.282 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630905 717985757 /nfs/dbraw/zinc/98/57/57/717985757.db2.gz QPRSQXCHIPQCLG-BPUTZDHNSA-N 1 3 365.905 3.282 20 0 FGADHO CSc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503411 714662661 /nfs/dbraw/zinc/66/26/61/714662661.db2.gz HXANLSUVOWYIAI-ZDUSSCGKSA-N 1 3 357.951 3.064 20 0 FGADHO CSc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503411 714662663 /nfs/dbraw/zinc/66/26/63/714662663.db2.gz HXANLSUVOWYIAI-ZDUSSCGKSA-N 1 3 357.951 3.064 20 0 FGADHO Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502166 714662921 /nfs/dbraw/zinc/66/29/21/714662921.db2.gz FOOGPJQVFCDZIE-ZDUSSCGKSA-N 1 3 364.921 3.132 20 0 FGADHO Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502166 714662925 /nfs/dbraw/zinc/66/29/25/714662925.db2.gz FOOGPJQVFCDZIE-ZDUSSCGKSA-N 1 3 364.921 3.132 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509573 715351296 /nfs/dbraw/zinc/35/12/96/715351296.db2.gz JEJFFZAHRFVRKL-HZPDHXFCSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509573 715351301 /nfs/dbraw/zinc/35/13/01/715351301.db2.gz JEJFFZAHRFVRKL-HZPDHXFCSA-N 1 3 366.347 3.490 20 0 FGADHO CC1(C)C[C@H]([NH2+]CC2(N)CCOCC2)c2cc(Br)ccc21 ZINC000629522264 716302397 /nfs/dbraw/zinc/30/23/97/716302397.db2.gz YXDQGVXDDJLDRD-HNNXBMFYSA-N 1 3 353.304 3.269 20 0 FGADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000638529829 717454768 /nfs/dbraw/zinc/45/47/68/717454768.db2.gz FLUMVLDTYSUQJI-QUCCMNQESA-N 1 3 366.933 3.193 20 0 FGADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759856 717599898 /nfs/dbraw/zinc/59/98/98/717599898.db2.gz LXNFLOHVOAXKSS-KRWDZBQOSA-N 1 3 361.555 3.002 20 0 FGADHO CC[C@H](C)Oc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000647506575 718364413 /nfs/dbraw/zinc/36/44/13/718364413.db2.gz SWSKVMIJJRKTHR-INIZCTEOSA-N 1 3 350.503 3.202 20 0 FGADHO C[C@H]1CNC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552318 718367506 /nfs/dbraw/zinc/36/75/06/718367506.db2.gz QSQBDQNYKQBWAQ-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552318 718367507 /nfs/dbraw/zinc/36/75/07/718367507.db2.gz QSQBDQNYKQBWAQ-RDTXWAMCSA-N 1 3 366.347 3.001 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379247 718420494 /nfs/dbraw/zinc/42/04/94/718420494.db2.gz WTHVQXDFDRMXCA-MRXNPFEDSA-N 1 3 351.878 3.414 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458114 /nfs/dbraw/zinc/45/81/14/718458114.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 1 3 351.922 3.179 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458115 /nfs/dbraw/zinc/45/81/15/718458115.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 1 3 351.922 3.179 20 0 FGADHO CC[C@@]1([NH2+]Cc2ccc(F)c(CN[C@@]3(CC)CCOC3)c2)CCOC1 ZINC000649482967 718519472 /nfs/dbraw/zinc/51/94/72/718519472.db2.gz XMPMPDWAJOCHLE-UXHICEINSA-N 1 3 350.478 3.143 20 0 FGADHO C[C@H]1OCC[C@]1(C)NCc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1F ZINC000649489584 718520603 /nfs/dbraw/zinc/52/06/03/718520603.db2.gz SZLVPVJXVOULNY-VZJWBNGJSA-N 1 3 350.478 3.140 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2Cl)nc1C ZINC000655745841 719333941 /nfs/dbraw/zinc/33/39/41/719333941.db2.gz GFTHTNDDAHZSEM-QGZVFWFLSA-N 1 3 364.921 3.281 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657354043 719632312 /nfs/dbraw/zinc/63/23/12/719632312.db2.gz NMGYLKSXILVDCT-UHFFFAOYSA-N 1 3 358.917 3.485 20 0 FGADHO OC1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971352 /nfs/dbraw/zinc/97/13/52/719971352.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 1 3 360.567 3.231 20 0 FGADHO OC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971354 /nfs/dbraw/zinc/97/13/54/719971354.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 1 3 360.567 3.231 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338740 720032900 /nfs/dbraw/zinc/03/29/00/720032900.db2.gz LWZJAZDUXPHLBE-DLBZAZTESA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338740 720032904 /nfs/dbraw/zinc/03/29/04/720032904.db2.gz LWZJAZDUXPHLBE-DLBZAZTESA-N 1 3 366.575 3.303 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060263 /nfs/dbraw/zinc/06/02/63/720060263.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 1 3 358.555 3.471 20 0 FGADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060268 /nfs/dbraw/zinc/06/02/68/720060268.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 1 3 358.555 3.471 20 0 FGADHO C[C@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151195 720384250 /nfs/dbraw/zinc/38/42/50/720384250.db2.gz FTVXWLLIYVOYTB-RDTXWAMCSA-N 1 3 356.432 3.340 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662696374 720453211 /nfs/dbraw/zinc/45/32/11/720453211.db2.gz YHIZVYMUUSXNNK-UHFFFAOYSA-N 1 3 357.523 3.164 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662696374 720453212 /nfs/dbraw/zinc/45/32/12/720453212.db2.gz YHIZVYMUUSXNNK-UHFFFAOYSA-N 1 3 357.523 3.164 20 0 FGADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663452494 720516732 /nfs/dbraw/zinc/51/67/32/720516732.db2.gz ZKICJIRBHGCYOU-CVEARBPZSA-N 1 3 364.559 3.057 20 0 FGADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663452494 720516733 /nfs/dbraw/zinc/51/67/33/720516733.db2.gz ZKICJIRBHGCYOU-CVEARBPZSA-N 1 3 364.559 3.057 20 0 FGADHO CSc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664815650 720694485 /nfs/dbraw/zinc/69/44/85/720694485.db2.gz RTDDSDPSRMQZAT-HOTGVXAUSA-N 1 3 366.575 3.041 20 0 FGADHO CSc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664815650 720694489 /nfs/dbraw/zinc/69/44/89/720694489.db2.gz RTDDSDPSRMQZAT-HOTGVXAUSA-N 1 3 366.575 3.041 20 0 FGADHO Cc1nc([C@@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489023 721808749 /nfs/dbraw/zinc/80/87/49/721808749.db2.gz GWCZHTRXTQNMRT-OAHLLOKOSA-N 1 3 359.543 3.018 20 0 FGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802397 722409932 /nfs/dbraw/zinc/40/99/32/722409932.db2.gz IQTKMHWHKGWSQB-FGTMMUONSA-N 1 3 353.551 3.391 20 0 FGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458747 722413156 /nfs/dbraw/zinc/41/31/56/722413156.db2.gz OFBJUYLKQVHILF-FJIDUMEYSA-N 1 3 351.535 3.096 20 0 FGADHO CN1CCC(CNCc2occc2Br)([NH+]2CCCCC2)CC1 ZINC000742380339 722556606 /nfs/dbraw/zinc/55/66/06/722556606.db2.gz OMDNAIDFDAGCLJ-UHFFFAOYSA-N 1 3 370.335 3.082 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000760840210 723097621 /nfs/dbraw/zinc/09/76/21/723097621.db2.gz GRSYRBNLYHNVAU-FUHWJXTLSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000760840210 723097624 /nfs/dbraw/zinc/09/76/24/723097624.db2.gz GRSYRBNLYHNVAU-FUHWJXTLSA-N 1 3 353.551 3.486 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817704 723542861 /nfs/dbraw/zinc/54/28/61/723542861.db2.gz PQLOFULBBCGVQP-UXPWSPDFSA-N 1 3 368.949 3.274 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817704 723542862 /nfs/dbraw/zinc/54/28/62/723542862.db2.gz PQLOFULBBCGVQP-UXPWSPDFSA-N 1 3 368.949 3.274 20 0 FGADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000794836951 723548430 /nfs/dbraw/zinc/54/84/30/723548430.db2.gz QJXTWTJPIPTESW-BFWZDYSYSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cccnc1Cl ZINC000817984785 727290434 /nfs/dbraw/zinc/29/04/34/727290434.db2.gz ZZMRHRGWASGOFK-MRXNPFEDSA-N 1 3 358.917 3.379 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827114546 729424668 /nfs/dbraw/zinc/42/46/68/729424668.db2.gz MAKRELWRDLCXCH-QGZVFWFLSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000831464933 729644216 /nfs/dbraw/zinc/64/42/16/729644216.db2.gz AMTJTFLHVAWHGG-QGZVFWFLSA-N 1 3 360.889 3.442 20 0 FGADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831769627 729666451 /nfs/dbraw/zinc/66/64/51/729666451.db2.gz UEKQBQYYKANYMR-CJNGLKHVSA-N 1 3 354.926 3.060 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822820 729670263 /nfs/dbraw/zinc/67/02/63/729670263.db2.gz OYXVWGAHPMPXHS-QGZVFWFLSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822820 729670265 /nfs/dbraw/zinc/67/02/65/729670265.db2.gz OYXVWGAHPMPXHS-QGZVFWFLSA-N 1 3 366.937 3.204 20 0 FGADHO Cc1nn(Cc2ccccc2)c(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126278 730588969 /nfs/dbraw/zinc/58/89/69/730588969.db2.gz HOCWDZNGZUMZCW-HDICACEKSA-N 1 3 358.917 3.325 20 0 FGADHO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000843353351 730609948 /nfs/dbraw/zinc/60/99/48/730609948.db2.gz YHWNGMGPYZOPSO-UHFFFAOYSA-N 1 3 363.811 3.499 20 0 FGADHO C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000845928756 730910183 /nfs/dbraw/zinc/91/01/83/730910183.db2.gz QLRRBZYERVAJJG-AOCRQIFASA-N 1 3 353.551 3.391 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055856 731225045 /nfs/dbraw/zinc/22/50/45/731225045.db2.gz HIEMGAHXOIPYHS-ZDUSSCGKSA-N 1 3 363.556 3.278 20 0 FGADHO CC(C)c1nn(C)c(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344702 731345117 /nfs/dbraw/zinc/34/51/17/731345117.db2.gz SSXFCKJFSNOHRM-UHFFFAOYSA-N 1 3 368.953 3.178 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539504 /nfs/dbraw/zinc/53/95/04/731539504.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H](N2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539508 /nfs/dbraw/zinc/53/95/08/731539508.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539511 /nfs/dbraw/zinc/53/95/11/731539511.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539512 /nfs/dbraw/zinc/53/95/12/731539512.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 1 3 350.547 3.299 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000853239149 731686107 /nfs/dbraw/zinc/68/61/07/731686107.db2.gz BHDBEGVTDJWYPK-BRWVUGGUSA-N 1 3 358.473 3.065 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492100 732220167 /nfs/dbraw/zinc/22/01/67/732220167.db2.gz SZKMREOUBPMTTN-FGTMMUONSA-N 1 3 353.551 3.486 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491473 732220287 /nfs/dbraw/zinc/22/02/87/732220287.db2.gz IRQHZLOKVRSARK-KSZLIROESA-N 1 3 353.551 3.486 20 0 FGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000859213305 732290802 /nfs/dbraw/zinc/29/08/02/732290802.db2.gz GGQKEVOGSKIOKD-LJQANCHMSA-N 1 3 362.901 3.273 20 0 FGADHO CCN1CCN(c2cccc(NCc3cc4c(s3)CC[NH2+]C4)c2)CC1 ZINC000873211936 735738386 /nfs/dbraw/zinc/73/83/86/735738386.db2.gz TYBAIGFLWIIUHH-UHFFFAOYSA-N 1 3 356.539 3.148 20 0 FGADHO COc1ccc(OCc2nc(CN[C@@H](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000873222187 735739743 /nfs/dbraw/zinc/73/97/43/735739743.db2.gz FKNWIWURTVFFOM-AWEZNQCLSA-N 1 3 361.511 3.208 20 0 FGADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1Br ZINC000873289495 735746599 /nfs/dbraw/zinc/74/65/99/735746599.db2.gz ISSKEESKRHVWNB-KBPBESRZSA-N 1 3 353.304 3.258 20 0 FGADHO C[NH+]1CCC2(CCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000877683785 736704357 /nfs/dbraw/zinc/70/43/57/736704357.db2.gz IMXPRWYWAVKHDE-UHFFFAOYSA-N 1 3 356.283 3.291 20 0 FGADHO CC(=O)Nc1cc(Br)ccc1CN(C)CC1CC[NH+](C)CC1 ZINC000891934089 739952538 /nfs/dbraw/zinc/95/25/38/739952538.db2.gz QINABHDDGHDNMM-UHFFFAOYSA-N 1 3 368.319 3.181 20 0 FGADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C[C@@]3(C)CCCNC3)C[C@@H]2C1 ZINC000904372091 743950013 /nfs/dbraw/zinc/95/00/13/743950013.db2.gz YIDQXEBIVDIDCJ-XLSPSMHOSA-N 1 3 351.535 3.001 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388220 758910593 /nfs/dbraw/zinc/91/05/93/758910593.db2.gz NOGKSPHJYYJBDP-FTEYMNFISA-N 1 3 363.571 3.370 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C3CCCC3)s1)C2 ZINC000922388220 758910595 /nfs/dbraw/zinc/91/05/95/758910595.db2.gz NOGKSPHJYYJBDP-FTEYMNFISA-N 1 3 363.571 3.370 20 0 FGADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391710 758911768 /nfs/dbraw/zinc/91/17/68/758911768.db2.gz GKSNOFGDSQRPMC-VIPLHTEESA-N 1 3 365.587 3.400 20 0 FGADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391710 758911770 /nfs/dbraw/zinc/91/17/70/758911770.db2.gz GKSNOFGDSQRPMC-VIPLHTEESA-N 1 3 365.587 3.400 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391542 758911794 /nfs/dbraw/zinc/91/17/94/758911794.db2.gz WMVHFCCXJYGNJQ-VXIBKDFQSA-N 1 3 363.889 3.051 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3cc(Cl)cnc3o1)C2 ZINC000922391542 758911797 /nfs/dbraw/zinc/91/17/97/758911797.db2.gz WMVHFCCXJYGNJQ-VXIBKDFQSA-N 1 3 363.889 3.051 20 0 FGADHO C[C@@H](C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCN(C)CC1 ZINC000924966349 759424657 /nfs/dbraw/zinc/42/46/57/759424657.db2.gz SMPONYHYKMHTJL-JXFKEZNVSA-N 1 3 358.917 3.050 20 0 FGADHO C[NH+]1CCC(O)(CN[C@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000925118477 759450170 /nfs/dbraw/zinc/45/01/70/759450170.db2.gz SFBJCARPRMQRNK-QGZVFWFLSA-N 1 3 366.864 3.402 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479967 759495628 /nfs/dbraw/zinc/49/56/28/759495628.db2.gz TVIOIFOAVAGBEW-AEKWLRTRSA-N 1 3 364.331 3.146 20 0 FGADHO CS(=O)(=O)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000925651158 759517492 /nfs/dbraw/zinc/51/74/92/759517492.db2.gz XLEKDIPQUXVQFW-QGZVFWFLSA-N 1 3 366.914 3.313 20 0 FGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853059 759559193 /nfs/dbraw/zinc/55/91/93/759559193.db2.gz JFQXVMWLSJAEDR-GXTWGEPZSA-N 1 3 365.543 3.085 20 0 FGADHO CC[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1OC ZINC000925857296 759561587 /nfs/dbraw/zinc/56/15/87/759561587.db2.gz ZKAOMRUMUDPKCL-GDBMZVCRSA-N 1 3 366.889 3.075 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000576729129 505580369 /nfs/dbraw/zinc/58/03/69/505580369.db2.gz BWWWVIPWKCNGID-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000576898304 505619026 /nfs/dbraw/zinc/61/90/26/505619026.db2.gz DSRDGSRZLMKASB-GHTZIAJQSA-N 1 3 374.573 3.440 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000576898304 505619029 /nfs/dbraw/zinc/61/90/29/505619029.db2.gz DSRDGSRZLMKASB-GHTZIAJQSA-N 1 3 374.573 3.440 20 0 FGADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964358 505621604 /nfs/dbraw/zinc/62/16/04/505621604.db2.gz PXHCGIRJKRVSFQ-FUPPJEDESA-N 1 3 369.553 3.356 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879373 505637674 /nfs/dbraw/zinc/63/76/74/505637674.db2.gz BVSFUTVWGULGFC-XLIONFOSSA-N 1 3 361.505 3.199 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879373 505637677 /nfs/dbraw/zinc/63/76/77/505637677.db2.gz BVSFUTVWGULGFC-XLIONFOSSA-N 1 3 361.505 3.199 20 0 FGADHO CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000576980897 505637757 /nfs/dbraw/zinc/63/77/57/505637757.db2.gz YKJNJOOVNDJRFN-OAQYLSRUSA-N 1 3 356.510 3.291 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc1 ZINC000568281924 505658654 /nfs/dbraw/zinc/65/86/54/505658654.db2.gz HHUMHWNLTQXRJH-OAQYLSRUSA-N 1 3 366.509 3.187 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000568381579 505680931 /nfs/dbraw/zinc/68/09/31/505680931.db2.gz RANBQLFCHZHKNP-IAGOWNOFSA-N 1 3 362.514 3.446 20 0 FGADHO CCCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802419 493935308 /nfs/dbraw/zinc/93/53/08/493935308.db2.gz KVWRFMPHFPQDSM-UHFFFAOYSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1COc2ccccc2O1 ZINC000568427423 505691867 /nfs/dbraw/zinc/69/18/67/505691867.db2.gz UUMVEMVBBVPROP-YZGWKJHDSA-N 1 3 352.478 3.327 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1COc2ccccc2O1 ZINC000568427423 505691870 /nfs/dbraw/zinc/69/18/70/505691870.db2.gz UUMVEMVBBVPROP-YZGWKJHDSA-N 1 3 352.478 3.327 20 0 FGADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759226 493985192 /nfs/dbraw/zinc/98/51/92/493985192.db2.gz DSPHHLGCQOFMIW-NRFANRHFSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000071935821 494110582 /nfs/dbraw/zinc/11/05/82/494110582.db2.gz RPSJKOKEQKSDLC-KDURUIRLSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000071935821 494110587 /nfs/dbraw/zinc/11/05/87/494110587.db2.gz RPSJKOKEQKSDLC-KDURUIRLSA-N 1 3 364.578 3.014 20 0 FGADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000072600165 494214525 /nfs/dbraw/zinc/21/45/25/494214525.db2.gz GWDQREPAGCUQIF-RTBURBONSA-N 1 3 373.541 3.145 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCCn2nc(C)cc2C)CC1 ZINC000088669611 494255828 /nfs/dbraw/zinc/25/58/28/494255828.db2.gz CAUMUOLQDPFTLW-UHFFFAOYSA-N 1 3 369.557 3.212 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696101 494255920 /nfs/dbraw/zinc/25/59/20/494255920.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696101 494255926 /nfs/dbraw/zinc/25/59/26/494255926.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 1 3 358.574 3.040 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000088740563 494257337 /nfs/dbraw/zinc/25/73/37/494257337.db2.gz DTJBVWJADLMQNA-JOCHJYFZSA-N 1 3 367.537 3.084 20 0 FGADHO c1csc(N2CCC([NH2+]CC3CCN(c4ccncc4)CC3)CC2)n1 ZINC000089214733 494273778 /nfs/dbraw/zinc/27/37/78/494273778.db2.gz ZWHKTCQDUJQPMA-UHFFFAOYSA-N 1 3 357.527 3.013 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000066190504 494286971 /nfs/dbraw/zinc/28/69/71/494286971.db2.gz XTUYXRUWMHYBGE-FQEVSTJZSA-N 1 3 360.546 3.114 20 0 FGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000078625602 494333138 /nfs/dbraw/zinc/33/31/38/494333138.db2.gz IZZBOAMMAOSGLI-LQWHRVPQSA-N 1 3 357.542 3.324 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000073588410 494395228 /nfs/dbraw/zinc/39/52/28/494395228.db2.gz JORCWCWGDZRBOD-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000079219083 494420691 /nfs/dbraw/zinc/42/06/91/494420691.db2.gz ONHDRFWKTIDHRF-GOSISDBHSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000079219083 494420694 /nfs/dbraw/zinc/42/06/94/494420694.db2.gz ONHDRFWKTIDHRF-GOSISDBHSA-N 1 3 352.567 3.062 20 0 FGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079310883 494435338 /nfs/dbraw/zinc/43/53/38/494435338.db2.gz JEZTURILJFONLJ-NHCUHLMSSA-N 1 3 370.541 3.093 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895173 494444177 /nfs/dbraw/zinc/44/41/77/494444177.db2.gz BHHWOLNYRFUZNH-NRFANRHFSA-N 1 3 356.510 3.384 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895173 494444181 /nfs/dbraw/zinc/44/41/81/494444181.db2.gz BHHWOLNYRFUZNH-NRFANRHFSA-N 1 3 356.510 3.384 20 0 FGADHO C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090221085 494456921 /nfs/dbraw/zinc/45/69/21/494456921.db2.gz FJIMXHAWAVVQPA-PUAOIOHZSA-N 1 3 360.523 3.215 20 0 FGADHO C[C@H](NCc1ccc([S@@](C)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090221122 494456948 /nfs/dbraw/zinc/45/69/48/494456948.db2.gz GFWONFOFOREZAQ-LMKMVOKYSA-N 1 3 360.523 3.215 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000045789881 494461850 /nfs/dbraw/zinc/46/18/50/494461850.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 1 3 360.546 3.200 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000045789881 494461854 /nfs/dbraw/zinc/46/18/54/494461854.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 1 3 360.546 3.200 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524585 494478352 /nfs/dbraw/zinc/47/83/52/494478352.db2.gz LRNDTDIBKYLQBI-UFYCRDLUSA-N 1 3 374.525 3.266 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000079599407 494490711 /nfs/dbraw/zinc/49/07/11/494490711.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000079599407 494490714 /nfs/dbraw/zinc/49/07/14/494490714.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 1 3 352.567 3.011 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000056523128 494520155 /nfs/dbraw/zinc/52/01/55/494520155.db2.gz LBDFBFJPIBFESN-HXUWFJFHSA-N 1 3 356.510 3.243 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067483211 494549673 /nfs/dbraw/zinc/54/96/73/494549673.db2.gz ALLGREFAZPZOIH-HXUWFJFHSA-N 1 3 364.578 3.014 20 0 FGADHO CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067483211 494549676 /nfs/dbraw/zinc/54/96/76/494549676.db2.gz ALLGREFAZPZOIH-HXUWFJFHSA-N 1 3 364.578 3.014 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000121119990 494605587 /nfs/dbraw/zinc/60/55/87/494605587.db2.gz UFMJCKLRKRSZAM-QFBILLFUSA-N 1 3 365.949 3.417 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000080462179 494711276 /nfs/dbraw/zinc/71/12/76/494711276.db2.gz IAQQPZOIHAOSGU-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821321 494762864 /nfs/dbraw/zinc/76/28/64/494762864.db2.gz MHVPGSGRJRPMAO-RTBURBONSA-N 1 3 372.557 3.124 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000116435989 494786480 /nfs/dbraw/zinc/78/64/80/494786480.db2.gz AVGIFSLDZKMLRV-SFHVURJKSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000109482051 494881343 /nfs/dbraw/zinc/88/13/43/494881343.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000109482051 494881348 /nfs/dbraw/zinc/88/13/48/494881348.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 1 3 366.594 3.259 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132525394 494888270 /nfs/dbraw/zinc/88/82/70/494888270.db2.gz DBOREJHXDNTGJP-KRWDZBQOSA-N 1 3 370.463 3.095 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@H](C)O1 ZINC000093962036 494938203 /nfs/dbraw/zinc/93/82/03/494938203.db2.gz LDFJMSBNSGZSPR-HOTGVXAUSA-N 1 3 362.543 3.128 20 0 FGADHO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110679219 495000846 /nfs/dbraw/zinc/00/08/46/495000846.db2.gz NLIBHASNGQDSKR-LJQANCHMSA-N 1 3 371.569 3.178 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1Br ZINC000128288332 495073360 /nfs/dbraw/zinc/07/33/60/495073360.db2.gz RRZCLEUISNHNDP-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccccc1Br ZINC000128288332 495073362 /nfs/dbraw/zinc/07/33/62/495073362.db2.gz RRZCLEUISNHNDP-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000123071022 495076076 /nfs/dbraw/zinc/07/60/76/495076076.db2.gz ZSWOCDFAPYZONB-JOCHJYFZSA-N 1 3 371.500 3.179 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000119318684 495140960 /nfs/dbraw/zinc/14/09/60/495140960.db2.gz PKBKWXCBDDEZDM-LYBXBRPPSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119396961 495158346 /nfs/dbraw/zinc/15/83/46/495158346.db2.gz FWTUWZAOAIQYEC-GOSISDBHSA-N 1 3 374.573 3.235 20 0 FGADHO C[C@@H](NCCC(=O)N1CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000129057287 495190130 /nfs/dbraw/zinc/19/01/30/495190130.db2.gz VCBMOYJBVDGKLB-GOSISDBHSA-N 1 3 361.530 3.070 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574410596 505766772 /nfs/dbraw/zinc/76/67/72/505766772.db2.gz QVRQWWJQAYPBJJ-QFIPXVFZSA-N 1 3 359.558 3.336 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000574410596 505766775 /nfs/dbraw/zinc/76/67/75/505766775.db2.gz QVRQWWJQAYPBJJ-QFIPXVFZSA-N 1 3 359.558 3.336 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119617419 495203322 /nfs/dbraw/zinc/20/33/22/495203322.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119617419 495203325 /nfs/dbraw/zinc/20/33/25/495203325.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305558 495216700 /nfs/dbraw/zinc/21/67/00/495216700.db2.gz SLNRUFSMMGIODS-VQTJNVASSA-N 1 3 364.578 3.014 20 0 FGADHO CC(C)OC(=O)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000135114545 495252861 /nfs/dbraw/zinc/25/28/61/495252861.db2.gz GYJBVUQELJNNDA-UHFFFAOYSA-N 1 3 374.525 3.329 20 0 FGADHO CN1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)(N2CCCCC2)CC1 ZINC000124725126 495333301 /nfs/dbraw/zinc/33/33/01/495333301.db2.gz FJYQBPPVNNXHIC-HXUWFJFHSA-N 1 3 357.542 3.440 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](N(C)C)C3)c2)CC1 ZINC000105241567 495348071 /nfs/dbraw/zinc/34/80/71/495348071.db2.gz RNXVJPZUKZLZGN-NRFANRHFSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000114456384 495377141 /nfs/dbraw/zinc/37/71/41/495377141.db2.gz MFEJOLPFRPLWDK-FQEVSTJZSA-N 1 3 357.542 3.245 20 0 FGADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000120482705 495388621 /nfs/dbraw/zinc/38/86/21/495388621.db2.gz FZEHTPARLUZSQX-HZPDHXFCSA-N 1 3 358.530 3.259 20 0 FGADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000120674590 495431770 /nfs/dbraw/zinc/43/17/70/495431770.db2.gz NHDIJKSOXAQBRU-JBYIUTFZSA-N 1 3 359.558 3.226 20 0 FGADHO CCn1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)cn1 ZINC000120679980 495433514 /nfs/dbraw/zinc/43/35/14/495433514.db2.gz LAMYHDFUIWMSRG-QGZVFWFLSA-N 1 3 356.514 3.474 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450166 /nfs/dbraw/zinc/45/01/66/495450166.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450168 /nfs/dbraw/zinc/45/01/68/495450168.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 1 3 357.420 3.308 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000130852808 495456065 /nfs/dbraw/zinc/45/60/65/495456065.db2.gz KYNXRPAZAXPIHS-OAQYLSRUSA-N 1 3 374.573 3.128 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000130852808 495456069 /nfs/dbraw/zinc/45/60/69/495456069.db2.gz KYNXRPAZAXPIHS-OAQYLSRUSA-N 1 3 374.573 3.128 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131140526 495497257 /nfs/dbraw/zinc/49/72/57/495497257.db2.gz WJWOBDLQXOSKFV-KGLIPLIRSA-N 1 3 372.326 3.265 20 0 FGADHO CN1CCN(CCCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612017 495521404 /nfs/dbraw/zinc/52/14/04/495521404.db2.gz FTCWPKKKEYSKAN-UHFFFAOYSA-N 1 3 363.452 3.342 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000176304920 495589503 /nfs/dbraw/zinc/58/95/03/495589503.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 1 3 373.516 3.123 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000176304920 495589510 /nfs/dbraw/zinc/58/95/10/495589510.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 1 3 373.516 3.123 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1OC(F)F ZINC000154431719 495613852 /nfs/dbraw/zinc/61/38/52/495613852.db2.gz PDDYDEJJXYVNMC-AWEZNQCLSA-N 1 3 359.436 3.105 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158936706 495619619 /nfs/dbraw/zinc/61/96/19/495619619.db2.gz SGPPYWNUZXUHOP-MRXNPFEDSA-N 1 3 362.518 3.288 20 0 FGADHO Cc1cc(NC(=O)CCN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158936706 495619623 /nfs/dbraw/zinc/61/96/23/495619623.db2.gz SGPPYWNUZXUHOP-MRXNPFEDSA-N 1 3 362.518 3.288 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481509 495630772 /nfs/dbraw/zinc/63/07/72/495630772.db2.gz ZFZWFTPRCDJPIW-INIZCTEOSA-N 1 3 355.473 3.356 20 0 FGADHO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000159077129 495652413 /nfs/dbraw/zinc/65/24/13/495652413.db2.gz UJSJYIKMCSRJKM-NRFANRHFSA-N 1 3 361.574 3.350 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000568845740 505791561 /nfs/dbraw/zinc/79/15/61/505791561.db2.gz NDKMTEBBPRHFRM-UHFFFAOYSA-N 1 3 374.529 3.048 20 0 FGADHO CC[NH+](CC)CCCC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000182756709 495691724 /nfs/dbraw/zinc/69/17/24/495691724.db2.gz YXZDEWASTUJSPA-UHFFFAOYSA-N 1 3 370.541 3.231 20 0 FGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000150971512 495698099 /nfs/dbraw/zinc/69/80/99/495698099.db2.gz DAXIHRWVNWGDKM-QGZVFWFLSA-N 1 3 353.963 3.493 20 0 FGADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000173878347 495729345 /nfs/dbraw/zinc/72/93/45/495729345.db2.gz KOFRCUQFJCHOKQ-DENIHFKCSA-N 1 3 369.553 3.378 20 0 FGADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000173878347 495729351 /nfs/dbraw/zinc/72/93/51/495729351.db2.gz KOFRCUQFJCHOKQ-DENIHFKCSA-N 1 3 369.553 3.378 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741494 /nfs/dbraw/zinc/74/14/94/495741494.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741503 /nfs/dbraw/zinc/74/15/03/495741503.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741512 /nfs/dbraw/zinc/74/15/12/495741512.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741517 /nfs/dbraw/zinc/74/15/17/495741517.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 1 3 365.521 3.429 20 0 FGADHO Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229613 495883162 /nfs/dbraw/zinc/88/31/62/495883162.db2.gz HEUYLGKFNPNHTD-RBUKOAKNSA-N 1 3 357.542 3.162 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183237159 495893054 /nfs/dbraw/zinc/89/30/54/495893054.db2.gz LBVCDHNQHBWQCO-UHFFFAOYSA-N 1 3 353.422 3.084 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340055 495937241 /nfs/dbraw/zinc/93/72/41/495937241.db2.gz KGGQLTWLFZQDBT-DNVCBOLYSA-N 1 3 356.514 3.468 20 0 FGADHO CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370944 495937430 /nfs/dbraw/zinc/93/74/30/495937430.db2.gz DKYCXPINIZYREW-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370944 495937435 /nfs/dbraw/zinc/93/74/35/495937435.db2.gz DKYCXPINIZYREW-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370944 495937442 /nfs/dbraw/zinc/93/74/42/495937442.db2.gz DKYCXPINIZYREW-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000155739166 496052682 /nfs/dbraw/zinc/05/26/82/496052682.db2.gz SMVJVRJEDVGAAX-OAQYLSRUSA-N 1 3 351.494 3.143 20 0 FGADHO COc1ccc([C@@H](NCCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180711960 496113286 /nfs/dbraw/zinc/11/32/86/496113286.db2.gz VFNCMQSCTULCAZ-QHCPKHFHSA-N 1 3 367.537 3.400 20 0 FGADHO CC(C)N1CCC[C@@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702947 496165183 /nfs/dbraw/zinc/16/51/83/496165183.db2.gz PBAUMZNWDLYMRI-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO CC(C)N1CCC[C@@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702947 496165189 /nfs/dbraw/zinc/16/51/89/496165189.db2.gz PBAUMZNWDLYMRI-OAQYLSRUSA-N 1 3 357.542 3.230 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172420420 496290903 /nfs/dbraw/zinc/29/09/03/496290903.db2.gz UCHANOODIAVZBQ-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172420420 496290906 /nfs/dbraw/zinc/29/09/06/496290906.db2.gz UCHANOODIAVZBQ-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+](CC)CC)CC2)cc1 ZINC000172431795 496295729 /nfs/dbraw/zinc/29/57/29/496295729.db2.gz VQIIWKIIRMOJAO-UHFFFAOYSA-N 1 3 359.558 3.309 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000178037830 496299064 /nfs/dbraw/zinc/29/90/64/496299064.db2.gz VOHQKRUNAVKFIL-OKZBNKHCSA-N 1 3 364.530 3.114 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4ccccc43)c2)C1 ZINC000156902643 496360232 /nfs/dbraw/zinc/36/02/32/496360232.db2.gz QWMXMSIPZKUMOS-UNMCSNQZSA-N 1 3 363.505 3.161 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4ccccc43)c2)C1 ZINC000156902643 496360237 /nfs/dbraw/zinc/36/02/37/496360237.db2.gz QWMXMSIPZKUMOS-UNMCSNQZSA-N 1 3 363.505 3.161 20 0 FGADHO Cc1cncc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000184407494 496371270 /nfs/dbraw/zinc/37/12/70/496371270.db2.gz CXVNAHNXJYSCPD-SFHVURJKSA-N 1 3 366.509 3.066 20 0 FGADHO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178443660 496458843 /nfs/dbraw/zinc/45/88/43/496458843.db2.gz HHICXLQXQOGKNG-OXQOHEQNSA-N 1 3 358.482 3.020 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178443660 496458849 /nfs/dbraw/zinc/45/88/49/496458849.db2.gz HHICXLQXQOGKNG-OXQOHEQNSA-N 1 3 358.482 3.020 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000175770443 496538190 /nfs/dbraw/zinc/53/81/90/496538190.db2.gz ORSMFPQYRCNKBT-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000175770443 496538194 /nfs/dbraw/zinc/53/81/94/496538194.db2.gz ORSMFPQYRCNKBT-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000175787904 496546164 /nfs/dbraw/zinc/54/61/64/496546164.db2.gz KLUIKEBJNSNQCT-NRFANRHFSA-N 1 3 365.521 3.342 20 0 FGADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175787904 496546165 /nfs/dbraw/zinc/54/61/65/496546165.db2.gz KLUIKEBJNSNQCT-NRFANRHFSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@H](CC(=O)NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000163889801 496566976 /nfs/dbraw/zinc/56/69/76/496566976.db2.gz FZUFILKETBSLOY-MOPGFXCFSA-N 1 3 357.542 3.315 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C12CCC2 ZINC000181860859 496575884 /nfs/dbraw/zinc/57/58/84/496575884.db2.gz ULNUZORTSUNDBW-LEWJYISDSA-N 1 3 358.526 3.081 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929349 496589090 /nfs/dbraw/zinc/58/90/90/496589090.db2.gz VTGZSGKJIBKXQT-CVEARBPZSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929349 496589096 /nfs/dbraw/zinc/58/90/96/496589096.db2.gz VTGZSGKJIBKXQT-CVEARBPZSA-N 1 3 370.534 3.392 20 0 FGADHO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165316398 496654778 /nfs/dbraw/zinc/65/47/78/496654778.db2.gz SBKKNZRJWOKNDH-GOTSBHOMSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165316398 496654782 /nfs/dbraw/zinc/65/47/82/496654782.db2.gz SBKKNZRJWOKNDH-GOTSBHOMSA-N 1 3 352.522 3.398 20 0 FGADHO COC[C@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165316398 496654783 /nfs/dbraw/zinc/65/47/83/496654783.db2.gz SBKKNZRJWOKNDH-GOTSBHOMSA-N 1 3 352.522 3.398 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185125447 496671718 /nfs/dbraw/zinc/67/17/18/496671718.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185125447 496671721 /nfs/dbraw/zinc/67/17/21/496671721.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC000188080504 496675269 /nfs/dbraw/zinc/67/52/69/496675269.db2.gz MVPFFMJOPXBEHF-GHTZIAJQSA-N 1 3 359.514 3.144 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414062 496683069 /nfs/dbraw/zinc/68/30/69/496683069.db2.gz XWQOPLREEPZNLB-MISYRCLQSA-N 1 3 360.546 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414062 496683074 /nfs/dbraw/zinc/68/30/74/496683074.db2.gz XWQOPLREEPZNLB-MISYRCLQSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543912 496701748 /nfs/dbraw/zinc/70/17/48/496701748.db2.gz WOCNUTYVFFAQDK-KOUHRCEDSA-N 1 3 357.542 3.182 20 0 FGADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186421 496704889 /nfs/dbraw/zinc/70/48/89/496704889.db2.gz GETFGFPMCCWDBW-RTWAWAEBSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@H](CCNC(=O)c1oc2ccccc2c1CN(C)C)[NH+]1CCCCC1 ZINC000182239265 496717918 /nfs/dbraw/zinc/71/79/18/496717918.db2.gz OIJGYBPKXIDIKW-MRXNPFEDSA-N 1 3 357.498 3.489 20 0 FGADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800896 496789838 /nfs/dbraw/zinc/78/98/38/496789838.db2.gz ANBCPEGFHDGICX-KNQAVFIVSA-N 1 3 359.558 3.130 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940886 496829142 /nfs/dbraw/zinc/82/91/42/496829142.db2.gz SSDPYNHKWGCNDX-GCJKJVERSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(-n2cncn2)c1 ZINC000268940886 496829150 /nfs/dbraw/zinc/82/91/50/496829150.db2.gz SSDPYNHKWGCNDX-GCJKJVERSA-N 1 3 361.493 3.268 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134432 496830232 /nfs/dbraw/zinc/83/02/32/496830232.db2.gz GDGJNBQPUYRTAG-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134432 496830235 /nfs/dbraw/zinc/83/02/35/496830235.db2.gz GDGJNBQPUYRTAG-ICSRJNTNSA-N 1 3 361.493 3.440 20 0 FGADHO CCOc1cc(C)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195344277 496896743 /nfs/dbraw/zinc/89/67/43/496896743.db2.gz UBIXSFIZXVODJE-UHFFFAOYSA-N 1 3 374.529 3.074 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058404 496949074 /nfs/dbraw/zinc/94/90/74/496949074.db2.gz ORJBFWMSXFFIND-PCCBWWKXSA-N 1 3 370.541 3.092 20 0 FGADHO COc1cc(OC)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152741 496963769 /nfs/dbraw/zinc/96/37/69/496963769.db2.gz QYLBDYLPSZWTGK-CABCVRRESA-N 1 3 370.921 3.245 20 0 FGADHO COc1cc(OC)c([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152741 496963773 /nfs/dbraw/zinc/96/37/73/496963773.db2.gz QYLBDYLPSZWTGK-CABCVRRESA-N 1 3 370.921 3.245 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000248399417 496995532 /nfs/dbraw/zinc/99/55/32/496995532.db2.gz OTBPOLCSJFAONY-NGRWLJPCSA-N 1 3 357.542 3.135 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409295 497001276 /nfs/dbraw/zinc/00/12/76/497001276.db2.gz WMLGQKNWNRYRHO-PMVMPFDFSA-N 1 3 372.553 3.462 20 0 FGADHO CCc1nc2c(s1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434336 497010280 /nfs/dbraw/zinc/01/02/80/497010280.db2.gz DUUCYDUOGRJBQX-QZTJIDSGSA-N 1 3 371.550 3.439 20 0 FGADHO CCc1nc2c(s1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434336 497010284 /nfs/dbraw/zinc/01/02/84/497010284.db2.gz DUUCYDUOGRJBQX-QZTJIDSGSA-N 1 3 371.550 3.439 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436016 497010764 /nfs/dbraw/zinc/01/07/64/497010764.db2.gz GBSTXZGQISLZAM-FXAWDEMLSA-N 1 3 353.510 3.170 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436016 497010770 /nfs/dbraw/zinc/01/07/70/497010770.db2.gz GBSTXZGQISLZAM-FXAWDEMLSA-N 1 3 353.510 3.170 20 0 FGADHO C[NH+](C)C1CCN(CCNCc2ccc(Br)c(Cl)c2)CC1 ZINC000192195817 497029224 /nfs/dbraw/zinc/02/92/24/497029224.db2.gz PFUPMXMZCYWGHW-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248554980 497038137 /nfs/dbraw/zinc/03/81/37/497038137.db2.gz HWUVNEYIOARJDN-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248554980 497038142 /nfs/dbraw/zinc/03/81/42/497038142.db2.gz HWUVNEYIOARJDN-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248554980 497038147 /nfs/dbraw/zinc/03/81/47/497038147.db2.gz HWUVNEYIOARJDN-IRFCIJBXSA-N 1 3 360.542 3.286 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189272976 497066314 /nfs/dbraw/zinc/06/63/14/497066314.db2.gz ZGDNUWSXWMGQAO-FPQWYMTMSA-N 1 3 369.509 3.056 20 0 FGADHO CCc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000189364972 497096235 /nfs/dbraw/zinc/09/62/35/497096235.db2.gz BLWOPNZYTGMSBE-UHFFFAOYSA-N 1 3 359.558 3.165 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1Cl ZINC000189409611 497110080 /nfs/dbraw/zinc/11/00/80/497110080.db2.gz ORCPVCVFGALMFU-CYBMUJFWSA-N 1 3 358.939 3.281 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1Cl ZINC000189409611 497110088 /nfs/dbraw/zinc/11/00/88/497110088.db2.gz ORCPVCVFGALMFU-CYBMUJFWSA-N 1 3 358.939 3.281 20 0 FGADHO CC1CCN([C@H](CNC(=O)c2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000236662073 497128694 /nfs/dbraw/zinc/12/86/94/497128694.db2.gz LJKDNQNCJLWAMC-GOSISDBHSA-N 1 3 357.523 3.410 20 0 FGADHO CC1CCN([C@H](CNC(=O)c2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000236662048 497128744 /nfs/dbraw/zinc/12/87/44/497128744.db2.gz ZTCQDYBXMWGCLH-OAQYLSRUSA-N 1 3 351.494 3.348 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192800784 497218249 /nfs/dbraw/zinc/21/82/49/497218249.db2.gz FVOYVRNBVQVGGJ-UHFFFAOYSA-N 1 3 370.541 3.021 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237377230 497227778 /nfs/dbraw/zinc/22/77/78/497227778.db2.gz FKIHXNSTYUOZNV-UHFFFAOYSA-N 1 3 367.537 3.383 20 0 FGADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237600260 497261520 /nfs/dbraw/zinc/26/15/20/497261520.db2.gz ZTVAHEAKURNAJS-QWFCFKBJSA-N 1 3 357.542 3.354 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000250431949 497266346 /nfs/dbraw/zinc/26/63/46/497266346.db2.gz JLXUFHILYOPMET-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000250431949 497266352 /nfs/dbraw/zinc/26/63/52/497266352.db2.gz JLXUFHILYOPMET-TZIWHRDSSA-N 1 3 372.557 3.163 20 0 FGADHO Cc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000237644835 497267574 /nfs/dbraw/zinc/26/75/74/497267574.db2.gz WRDPRRZZSLUHGY-KRIYCRJKSA-N 1 3 355.526 3.169 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000237894621 497309097 /nfs/dbraw/zinc/30/90/97/497309097.db2.gz RMQOVOUDRSXPIR-QXAKKESOSA-N 1 3 363.571 3.374 20 0 FGADHO [NH3+][C@H](CCC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1 ZINC000237938208 497317070 /nfs/dbraw/zinc/31/70/70/497317070.db2.gz NMUBLWLVHHKKFB-NHCUHLMSSA-N 1 3 351.494 3.420 20 0 FGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190066352 497344168 /nfs/dbraw/zinc/34/41/68/497344168.db2.gz TZGUFWCPTGKKAR-GBESFXJTSA-N 1 3 363.571 3.059 20 0 FGADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896484 497471357 /nfs/dbraw/zinc/47/13/57/497471357.db2.gz WAUHOHJTQXLOCT-UXHICEINSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896484 497471365 /nfs/dbraw/zinc/47/13/65/497471365.db2.gz WAUHOHJTQXLOCT-UXHICEINSA-N 1 3 357.523 3.015 20 0 FGADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896484 497471371 /nfs/dbraw/zinc/47/13/71/497471371.db2.gz WAUHOHJTQXLOCT-UXHICEINSA-N 1 3 357.523 3.015 20 0 FGADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624614 497479434 /nfs/dbraw/zinc/47/94/34/497479434.db2.gz GETFGFPMCCWDBW-NHCUHLMSSA-N 1 3 370.541 3.138 20 0 FGADHO Ic1ccc([C@H]2CCCN2CC2CC[NH2+]CC2)cc1 ZINC000262289957 497535547 /nfs/dbraw/zinc/53/55/47/497535547.db2.gz VXECSVOCUMKZGZ-MRXNPFEDSA-N 1 3 370.278 3.428 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307505 497540620 /nfs/dbraw/zinc/54/06/20/497540620.db2.gz YCHANNRWTKALRP-HOCLYGCPSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307505 497540623 /nfs/dbraw/zinc/54/06/23/497540623.db2.gz YCHANNRWTKALRP-HOCLYGCPSA-N 1 3 362.411 3.404 20 0 FGADHO [NH3+]CC1(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCCCC1 ZINC000262627682 497586616 /nfs/dbraw/zinc/58/66/16/497586616.db2.gz DTEYRBGKWWEIAV-UHFFFAOYSA-N 1 3 373.541 3.129 20 0 FGADHO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262675696 497596909 /nfs/dbraw/zinc/59/69/09/497596909.db2.gz UEGFUGIRHZZXIB-VTHDOGFWSA-N 1 3 355.526 3.030 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000246276593 497680906 /nfs/dbraw/zinc/68/09/06/497680906.db2.gz JPYVRMBXEULFBP-XLIONFOSSA-N 1 3 360.546 3.010 20 0 FGADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246303514 497690670 /nfs/dbraw/zinc/69/06/70/497690670.db2.gz LTQLEBMHOZIVOR-RTBURBONSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H](N)c1ccccc1 ZINC000263258960 497744120 /nfs/dbraw/zinc/74/41/20/497744120.db2.gz LUHCOIYBMZMBER-HDAAZOAOSA-N 1 3 357.542 3.436 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H](N)c1ccccc1 ZINC000263258960 497744124 /nfs/dbraw/zinc/74/41/24/497744124.db2.gz LUHCOIYBMZMBER-HDAAZOAOSA-N 1 3 357.542 3.436 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263929 497744865 /nfs/dbraw/zinc/74/48/65/497744865.db2.gz RHTMMHHYOYBKMY-KCZVDYSFSA-N 1 3 357.542 3.265 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280447415 497756692 /nfs/dbraw/zinc/75/66/92/497756692.db2.gz DBVAEBLTHADZEF-OAQYLSRUSA-N 1 3 366.509 3.004 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000246902658 497819620 /nfs/dbraw/zinc/81/96/20/497819620.db2.gz FWQLTEHNJQYCSZ-YAJHFMINSA-N 1 3 365.949 3.032 20 0 FGADHO CC(C)(O)C(C)(C)NCc1cc(C[NH2+]C(C)(C)C(C)(C)O)ccc1F ZINC000296394628 498026318 /nfs/dbraw/zinc/02/63/18/498026318.db2.gz VERHMZJGXYQJPA-UHFFFAOYSA-N 1 3 354.510 3.104 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487750 498063551 /nfs/dbraw/zinc/06/35/51/498063551.db2.gz PKSQSEMZLGSIRZ-HKUYNNGSSA-N 1 3 371.912 3.469 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000296487750 498063557 /nfs/dbraw/zinc/06/35/57/498063557.db2.gz PKSQSEMZLGSIRZ-HKUYNNGSSA-N 1 3 371.912 3.469 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342334 498112212 /nfs/dbraw/zinc/11/22/12/498112212.db2.gz XCBIKTZSPBJKNV-RTBURBONSA-N 1 3 359.514 3.361 20 0 FGADHO Cn1ccnc1COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285551495 498125332 /nfs/dbraw/zinc/12/53/32/498125332.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 1 3 354.498 3.056 20 0 FGADHO Cn1ccnc1COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285551495 498125335 /nfs/dbraw/zinc/12/53/35/498125335.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 1 3 354.498 3.056 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000289404907 498135748 /nfs/dbraw/zinc/13/57/48/498135748.db2.gz LIFKVKNJSGQODK-QGZVFWFLSA-N 1 3 350.503 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000289404907 498135754 /nfs/dbraw/zinc/13/57/54/498135754.db2.gz LIFKVKNJSGQODK-QGZVFWFLSA-N 1 3 350.503 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000289404907 498135762 /nfs/dbraw/zinc/13/57/62/498135762.db2.gz LIFKVKNJSGQODK-QGZVFWFLSA-N 1 3 350.503 3.279 20 0 FGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285640501 498156395 /nfs/dbraw/zinc/15/63/95/498156395.db2.gz LTNLBLKUXJACIY-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO O[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000292865174 498175278 /nfs/dbraw/zinc/17/52/78/498175278.db2.gz RWRYQXXWAKGLMG-LJQANCHMSA-N 1 3 358.482 3.043 20 0 FGADHO c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642861 498292819 /nfs/dbraw/zinc/29/28/19/498292819.db2.gz RDEKHFLLLKBTHE-MHTWAQMVSA-N 1 3 350.510 3.261 20 0 FGADHO COc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000286147585 498305555 /nfs/dbraw/zinc/30/55/55/498305555.db2.gz ORLXAZQAWWLVJA-MRXNPFEDSA-N 1 3 373.497 3.198 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccnc3)C(C)C)CC2)CC1 ZINC000572615100 506013077 /nfs/dbraw/zinc/01/30/77/506013077.db2.gz QZXANZLOFMRGMX-UHFFFAOYSA-N 1 3 372.557 3.015 20 0 FGADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000360999104 498331506 /nfs/dbraw/zinc/33/15/06/498331506.db2.gz MSRCBYQLDXEKIM-VXPBHUBDSA-N 1 3 362.521 3.143 20 0 FGADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000360999105 498331672 /nfs/dbraw/zinc/33/16/72/498331672.db2.gz MSRCBYQLDXEKIM-XHRGMSINSA-N 1 3 362.521 3.143 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000289875026 498332578 /nfs/dbraw/zinc/33/25/78/498332578.db2.gz RMXBPEIYJPVOHR-UXBLZVDNSA-N 1 3 355.526 3.014 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)c1 ZINC000575895873 506027918 /nfs/dbraw/zinc/02/79/18/506027918.db2.gz OFHRCMXTLLUTCX-UHFFFAOYSA-N 1 3 370.472 3.245 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)c1 ZINC000575895873 506027924 /nfs/dbraw/zinc/02/79/24/506027924.db2.gz OFHRCMXTLLUTCX-UHFFFAOYSA-N 1 3 370.472 3.245 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000578806399 506025244 /nfs/dbraw/zinc/02/52/44/506025244.db2.gz OPXSPOLXWYGATM-DSKINZAPSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000578806399 506025245 /nfs/dbraw/zinc/02/52/45/506025245.db2.gz OPXSPOLXWYGATM-DSKINZAPSA-N 1 3 357.542 3.449 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CNC1CCN(c2ccccc2)CC1 ZINC000290156976 498445997 /nfs/dbraw/zinc/44/59/97/498445997.db2.gz DAGBJOXUKFPIBM-UHFFFAOYSA-N 1 3 368.525 3.171 20 0 FGADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)s2)cn1 ZINC000282359665 498480812 /nfs/dbraw/zinc/48/08/12/498480812.db2.gz XINMYBYQIWKGIZ-MOPGFXCFSA-N 1 3 374.554 3.006 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581679970 506042891 /nfs/dbraw/zinc/04/28/91/506042891.db2.gz VAECUNIGVMMDGN-MQSCRBSSSA-N 1 3 368.496 3.183 20 0 FGADHO O[C@H](Cc1ccc(F)cc1)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581679970 506042894 /nfs/dbraw/zinc/04/28/94/506042894.db2.gz VAECUNIGVMMDGN-MQSCRBSSSA-N 1 3 368.496 3.183 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981218 506048758 /nfs/dbraw/zinc/04/87/58/506048758.db2.gz BVKYCKIFHGYPNQ-CVEARBPZSA-N 1 3 374.447 3.155 20 0 FGADHO CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000297943950 498617568 /nfs/dbraw/zinc/61/75/68/498617568.db2.gz VKYRDCUYSKTZJZ-UHFFFAOYSA-N 1 3 371.319 3.327 20 0 FGADHO CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000297943950 498617574 /nfs/dbraw/zinc/61/75/74/498617574.db2.gz VKYRDCUYSKTZJZ-UHFFFAOYSA-N 1 3 371.319 3.327 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000363041679 498618762 /nfs/dbraw/zinc/61/87/62/498618762.db2.gz WXZDEXRNSPRJIU-RXVVDRJESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130660 498673812 /nfs/dbraw/zinc/67/38/12/498673812.db2.gz PZNSEVRUTUIQSQ-UYAOXDASSA-N 1 3 357.542 3.075 20 0 FGADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)CCO1 ZINC000298130660 498673820 /nfs/dbraw/zinc/67/38/20/498673820.db2.gz PZNSEVRUTUIQSQ-UYAOXDASSA-N 1 3 357.542 3.075 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294372800 498673983 /nfs/dbraw/zinc/67/39/83/498673983.db2.gz ZMVSKVNXFJRTIY-OAQYLSRUSA-N 1 3 355.482 3.052 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294372800 498673988 /nfs/dbraw/zinc/67/39/88/498673988.db2.gz ZMVSKVNXFJRTIY-OAQYLSRUSA-N 1 3 355.482 3.052 20 0 FGADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000581845234 506072814 /nfs/dbraw/zinc/07/28/14/506072814.db2.gz QHMYEPULVXSRHO-NRFANRHFSA-N 1 3 369.484 3.454 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000294642654 498759819 /nfs/dbraw/zinc/75/98/19/498759819.db2.gz DAXIXIDPHNTCAU-LJQANCHMSA-N 1 3 361.555 3.002 20 0 FGADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326770 498876392 /nfs/dbraw/zinc/87/63/92/498876392.db2.gz FTOLKAHZQXASPJ-HOJAQTOUSA-N 1 3 371.912 3.019 20 0 FGADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326770 498876398 /nfs/dbraw/zinc/87/63/98/498876398.db2.gz FTOLKAHZQXASPJ-HOJAQTOUSA-N 1 3 371.912 3.019 20 0 FGADHO FC(F)Cn1cc(CNCC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000366356032 498889407 /nfs/dbraw/zinc/88/94/07/498889407.db2.gz OQNPSQNLYDMFLT-UHFFFAOYSA-N 1 3 362.468 3.193 20 0 FGADHO COC[C@@]1(C[NH2+]C2CCN(C3CCCC3)CC2)OCCc2ccccc21 ZINC000579168463 506108523 /nfs/dbraw/zinc/10/85/23/506108523.db2.gz LMQWFWHEFJQJQI-JOCHJYFZSA-N 1 3 358.526 3.098 20 0 FGADHO CC(C)Oc1ccccc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363797233 498997254 /nfs/dbraw/zinc/99/72/54/498997254.db2.gz FKEWCMSWSMWCNN-UHFFFAOYSA-N 1 3 359.558 3.323 20 0 FGADHO C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360354 499003307 /nfs/dbraw/zinc/00/33/07/499003307.db2.gz KPQWDZSCMJMAPV-FPOVZHCZSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000366736232 499054561 /nfs/dbraw/zinc/05/45/61/499054561.db2.gz FTXWCEFFCIDVIQ-RTBURBONSA-N 1 3 356.514 3.177 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196570 499066709 /nfs/dbraw/zinc/06/67/09/499066709.db2.gz SESIWDUNDRESSO-DHIUTWEWSA-N 1 3 371.569 3.228 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280245 499081437 /nfs/dbraw/zinc/08/14/37/499081437.db2.gz XXAPKYVEQZQRMW-GOTSBHOMSA-N 1 3 371.569 3.085 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000284351992 499093618 /nfs/dbraw/zinc/09/36/18/499093618.db2.gz MIDVCUWNVNJQJQ-NJDAHSKKSA-N 1 3 356.510 3.207 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000367245960 499167589 /nfs/dbraw/zinc/16/75/89/499167589.db2.gz HZUMZYUVXDEATI-OXQOHEQNSA-N 1 3 373.541 3.389 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179068 /nfs/dbraw/zinc/17/90/68/499179068.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 1 3 356.510 3.315 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179069 /nfs/dbraw/zinc/17/90/69/499179069.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 1 3 356.510 3.315 20 0 FGADHO Cc1ncc([C@H](C)NCCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000372836016 499182368 /nfs/dbraw/zinc/18/23/68/499182368.db2.gz DYFSUQGMTTUPAD-HNNXBMFYSA-N 1 3 350.576 3.298 20 0 FGADHO CC1CC[NH+](CC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)CC1 ZINC000370207776 499197526 /nfs/dbraw/zinc/19/75/26/499197526.db2.gz XBLUZRWQOURUAM-UHFFFAOYSA-N 1 3 353.514 3.211 20 0 FGADHO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000367522311 499208713 /nfs/dbraw/zinc/20/87/13/499208713.db2.gz DSUPHQRHODLIJH-FOIPXRHGSA-N 1 3 351.535 3.286 20 0 FGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592826 499215828 /nfs/dbraw/zinc/21/58/28/499215828.db2.gz GWDGOQHNUYKWSF-FPOVZHCZSA-N 1 3 370.541 3.273 20 0 FGADHO Cc1ccc(-c2cc(CN(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680390 499224169 /nfs/dbraw/zinc/22/41/69/499224169.db2.gz ARXSLYDQEVVZAG-FQEVSTJZSA-N 1 3 368.525 3.250 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638278 499238553 /nfs/dbraw/zinc/23/85/53/499238553.db2.gz XFBSRQBWVQFGGK-HOCLYGCPSA-N 1 3 371.447 3.404 20 0 FGADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424830 499294834 /nfs/dbraw/zinc/29/48/34/499294834.db2.gz ALLAMIWCNAYNIV-UTKZUKDTSA-N 1 3 361.505 3.329 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230375 499300453 /nfs/dbraw/zinc/30/04/53/499300453.db2.gz LVEMRSIVDKPLSR-CRAIPNDOSA-N 1 3 355.482 3.099 20 0 FGADHO Brc1cnn(CCC[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000368569664 499308506 /nfs/dbraw/zinc/30/85/06/499308506.db2.gz XEFIAQMADPVBOR-UHFFFAOYSA-N 1 3 355.324 3.032 20 0 FGADHO C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000371338033 499312352 /nfs/dbraw/zinc/31/23/52/499312352.db2.gz YAGGZVRWCFPFFX-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000371338033 499312353 /nfs/dbraw/zinc/31/23/53/499312353.db2.gz YAGGZVRWCFPFFX-OXJNMPFZSA-N 1 3 372.944 3.346 20 0 FGADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000371819826 499368631 /nfs/dbraw/zinc/36/86/31/499368631.db2.gz ZSKFQDKFBKHHRQ-UHFFFAOYSA-N 1 3 352.482 3.307 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373448429 499470466 /nfs/dbraw/zinc/47/04/66/499470466.db2.gz LEUAFKXRJNTWNL-DFQSSKMNSA-N 1 3 368.500 3.300 20 0 FGADHO C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448429 499470467 /nfs/dbraw/zinc/47/04/67/499470467.db2.gz LEUAFKXRJNTWNL-DFQSSKMNSA-N 1 3 368.500 3.300 20 0 FGADHO CCN(CC)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccsc1 ZINC000378207997 499490357 /nfs/dbraw/zinc/49/03/57/499490357.db2.gz DZZYTIYZTVJXTI-LJQANCHMSA-N 1 3 374.554 3.287 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643772 499542224 /nfs/dbraw/zinc/54/22/24/499542224.db2.gz GBULNRXBMDNLFF-HMXCVIKNSA-N 1 3 354.494 3.069 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643772 499542225 /nfs/dbraw/zinc/54/22/25/499542225.db2.gz GBULNRXBMDNLFF-HMXCVIKNSA-N 1 3 354.494 3.069 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000389105744 499552205 /nfs/dbraw/zinc/55/22/05/499552205.db2.gz PBMVOCMEGIYPLU-PXNSSMCTSA-N 1 3 352.478 3.458 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397559784 499564218 /nfs/dbraw/zinc/56/42/18/499564218.db2.gz QGCPKWUIAXYSHL-LJQANCHMSA-N 1 3 368.521 3.243 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2 ZINC000397609260 499564701 /nfs/dbraw/zinc/56/47/01/499564701.db2.gz QQCHWRZOTHLQTO-JOCHJYFZSA-N 1 3 366.505 3.299 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960963 499565613 /nfs/dbraw/zinc/56/56/13/499565613.db2.gz DZJHZXCAJIWAQY-LSWJPFSZSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960963 499565615 /nfs/dbraw/zinc/56/56/15/499565615.db2.gz DZJHZXCAJIWAQY-LSWJPFSZSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC000398058006 499566384 /nfs/dbraw/zinc/56/63/84/499566384.db2.gz LSIGCNMFHVKYLH-UIFIKXQLSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC000398058006 499566386 /nfs/dbraw/zinc/56/63/86/499566386.db2.gz LSIGCNMFHVKYLH-UIFIKXQLSA-N 1 3 357.542 3.311 20 0 FGADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000376567590 499619367 /nfs/dbraw/zinc/61/93/67/499619367.db2.gz XOYKOMFTJQZTFG-PELRDEGISA-N 1 3 373.516 3.171 20 0 FGADHO C[C@H](N[C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000376956255 499649370 /nfs/dbraw/zinc/64/93/70/499649370.db2.gz FTDBSOZRCYEVIT-SGXKBVARSA-N 1 3 354.494 3.499 20 0 FGADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000377648087 499715244 /nfs/dbraw/zinc/71/52/44/499715244.db2.gz KSZPUBDJWWJMRE-KRWDZBQOSA-N 1 3 374.525 3.484 20 0 FGADHO C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000377648087 499715245 /nfs/dbraw/zinc/71/52/45/499715245.db2.gz KSZPUBDJWWJMRE-KRWDZBQOSA-N 1 3 374.525 3.484 20 0 FGADHO CN(CCc1cncs1)[C@@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411398385 499734412 /nfs/dbraw/zinc/73/44/12/499734412.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 1 3 350.557 3.171 20 0 FGADHO CN(CCc1cncs1)[C@@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411398385 499734414 /nfs/dbraw/zinc/73/44/14/499734414.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 1 3 350.557 3.171 20 0 FGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411415027 499737394 /nfs/dbraw/zinc/73/73/94/499737394.db2.gz MVJSFGRJQSBJFB-GCJKJVERSA-N 1 3 352.526 3.001 20 0 FGADHO Cc1ccc2ncc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000411415027 499737395 /nfs/dbraw/zinc/73/73/95/499737395.db2.gz MVJSFGRJQSBJFB-GCJKJVERSA-N 1 3 352.526 3.001 20 0 FGADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000414128435 499763046 /nfs/dbraw/zinc/76/30/46/499763046.db2.gz RZAWVNUSZXVOGI-ILWGZMRPSA-N 1 3 352.526 3.243 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414168866 499765542 /nfs/dbraw/zinc/76/55/42/499765542.db2.gz VAJQIEIYROLPOE-RTBURBONSA-N 1 3 363.546 3.484 20 0 FGADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414184309 499766652 /nfs/dbraw/zinc/76/66/52/499766652.db2.gz FPTNOTRHNVZPPX-YADHBBJMSA-N 1 3 371.569 3.257 20 0 FGADHO CCC[C@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203345 499768057 /nfs/dbraw/zinc/76/80/57/499768057.db2.gz VEQISFZOUQDBJC-JOCHJYFZSA-N 1 3 373.585 3.174 20 0 FGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414294218 499775009 /nfs/dbraw/zinc/77/50/09/499775009.db2.gz BSVXYHMQDGVMPF-DENIHFKCSA-N 1 3 368.521 3.379 20 0 FGADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414330280 499778193 /nfs/dbraw/zinc/77/81/93/499778193.db2.gz BMAAMZPZLKGAAX-OXJNMPFZSA-N 1 3 357.542 3.298 20 0 FGADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336542 499778873 /nfs/dbraw/zinc/77/88/73/499778873.db2.gz ZNFOINQDPLTCGA-RTWAWAEBSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1ccc(CNCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365700 499781366 /nfs/dbraw/zinc/78/13/66/499781366.db2.gz NATNUKXEUFYWEU-QZTJIDSGSA-N 1 3 368.525 3.084 20 0 FGADHO C[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)CC1CCOCC1 ZINC000414519557 499802164 /nfs/dbraw/zinc/80/21/64/499802164.db2.gz BJXOIVRAMOWSLL-IBGZPJMESA-N 1 3 360.542 3.056 20 0 FGADHO CC(C)(C)C1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414561348 499809582 /nfs/dbraw/zinc/80/95/82/499809582.db2.gz YVHOJCKYIFCRBY-UHFFFAOYSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@@](C[NH2+]C1CCN(c2ccncc2)CC1)(C(=O)OC)c1ccccc1 ZINC000414584679 499811862 /nfs/dbraw/zinc/81/18/62/499811862.db2.gz JQHUULZLXDMNHS-QFIPXVFZSA-N 1 3 367.493 3.161 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695188 499821225 /nfs/dbraw/zinc/82/12/25/499821225.db2.gz OIAIQVXMNHBCEH-MRXNPFEDSA-N 1 3 363.933 3.282 20 0 FGADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695188 499821227 /nfs/dbraw/zinc/82/12/27/499821227.db2.gz OIAIQVXMNHBCEH-MRXNPFEDSA-N 1 3 363.933 3.282 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@@H]21 ZINC000412188528 499832140 /nfs/dbraw/zinc/83/21/40/499832140.db2.gz BUWCHJMACUUAER-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)CC[C@@H]21 ZINC000412188528 499832142 /nfs/dbraw/zinc/83/21/42/499832142.db2.gz BUWCHJMACUUAER-RTWAWAEBSA-N 1 3 355.526 3.229 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414830640 499835441 /nfs/dbraw/zinc/83/54/41/499835441.db2.gz CEUZUIUASHCUEP-QGZVFWFLSA-N 1 3 355.482 3.149 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N)CCCCC1 ZINC000414833397 499835697 /nfs/dbraw/zinc/83/56/97/499835697.db2.gz AVESEEYAUCUBOU-CYBMUJFWSA-N 1 3 368.319 3.417 20 0 FGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414945546 499847726 /nfs/dbraw/zinc/84/77/26/499847726.db2.gz RVOQVRVTKMZDNO-KDOFPFPSSA-N 1 3 366.347 3.001 20 0 FGADHO Cc1cc(N)cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414957980 499849058 /nfs/dbraw/zinc/84/90/58/499849058.db2.gz CHHFDLIXIDBOMT-UHFFFAOYSA-N 1 3 352.526 3.397 20 0 FGADHO [NH3+][C@H]1CCC[C@H](CNCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000415004147 499854155 /nfs/dbraw/zinc/85/41/55/499854155.db2.gz NWFXCVPUPQSFHY-WFASDCNBSA-N 1 3 363.303 3.446 20 0 FGADHO NC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCCC1 ZINC000415065725 499860253 /nfs/dbraw/zinc/86/02/53/499860253.db2.gz NHUYOMXRLYQJBL-KRWDZBQOSA-N 1 3 363.303 3.242 20 0 FGADHO c1ccc([C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091540 499862501 /nfs/dbraw/zinc/86/25/01/499862501.db2.gz QQSIYCACODWEDC-VJBWXMMDSA-N 1 3 365.521 3.143 20 0 FGADHO CCCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415127266 499867481 /nfs/dbraw/zinc/86/74/81/499867481.db2.gz QRMNQQBAZKSXFT-UYAOXDASSA-N 1 3 362.514 3.202 20 0 FGADHO CCCOc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415130280 499867742 /nfs/dbraw/zinc/86/77/42/499867742.db2.gz WSJVIPKRMISRAC-AZUAARDMSA-N 1 3 362.514 3.202 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000415177139 499873701 /nfs/dbraw/zinc/87/37/01/499873701.db2.gz HDQXPIFOZLNIGD-FQEVSTJZSA-N 1 3 370.497 3.229 20 0 FGADHO [NH3+]C[C@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CCCC1 ZINC000415315462 499885701 /nfs/dbraw/zinc/88/57/01/499885701.db2.gz ZZACXFMUKIDKBY-FQEVSTJZSA-N 1 3 374.529 3.190 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415587991 499903993 /nfs/dbraw/zinc/90/39/93/499903993.db2.gz ZLETVYVBADCFLV-HXUWFJFHSA-N 1 3 354.498 3.392 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccco1 ZINC000415894558 499925352 /nfs/dbraw/zinc/92/53/52/499925352.db2.gz MKWJHHJNDGKESN-KBXCAEBGSA-N 1 3 356.470 3.176 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000415906583 499926683 /nfs/dbraw/zinc/92/66/83/499926683.db2.gz XRTCUCVXOVFQSA-UHFFFAOYSA-N 1 3 366.509 3.235 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000415905993 499926760 /nfs/dbraw/zinc/92/67/60/499926760.db2.gz WDJAQSPVBVNOII-UHFFFAOYSA-N 1 3 352.482 3.146 20 0 FGADHO CC[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)N1CCc2ccccc2C1 ZINC000415927398 499929453 /nfs/dbraw/zinc/92/94/53/499929453.db2.gz FOJFLLUVINMSKZ-OAQYLSRUSA-N 1 3 366.509 3.364 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000415933889 499930265 /nfs/dbraw/zinc/93/02/65/499930265.db2.gz QRLCNMUOFBRCJR-GOSISDBHSA-N 1 3 366.509 3.392 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949920 499932408 /nfs/dbraw/zinc/93/24/08/499932408.db2.gz CLKHNFIEYQALHP-HNNXBMFYSA-N 1 3 362.493 3.248 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949920 499932409 /nfs/dbraw/zinc/93/24/09/499932409.db2.gz CLKHNFIEYQALHP-HNNXBMFYSA-N 1 3 362.493 3.248 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415956707 499933443 /nfs/dbraw/zinc/93/34/43/499933443.db2.gz OMKWDXGERAUSLC-UHFFFAOYSA-N 1 3 360.424 3.216 20 0 FGADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415960272 499933713 /nfs/dbraw/zinc/93/37/13/499933713.db2.gz PUXXOTHAWOMGHU-HXUWFJFHSA-N 1 3 370.497 3.357 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964520 499934245 /nfs/dbraw/zinc/93/42/45/499934245.db2.gz WLCUFGNKPBRJIE-FQEVSTJZSA-N 1 3 354.498 3.423 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415963573 499934347 /nfs/dbraw/zinc/93/43/47/499934347.db2.gz VUQXXNQDAOPUJZ-CYBMUJFWSA-N 1 3 372.435 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415963573 499934349 /nfs/dbraw/zinc/93/43/49/499934349.db2.gz VUQXXNQDAOPUJZ-CYBMUJFWSA-N 1 3 372.435 3.360 20 0 FGADHO Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000415969108 499935237 /nfs/dbraw/zinc/93/52/37/499935237.db2.gz DEDHJPKPKJDKHN-FQEVSTJZSA-N 1 3 352.482 3.412 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979740 499936772 /nfs/dbraw/zinc/93/67/72/499936772.db2.gz XUIOOOVPVQVPAV-WMLDXEAASA-N 1 3 372.469 3.013 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000415983413 499937202 /nfs/dbraw/zinc/93/72/02/499937202.db2.gz GIQUXKZLCZMAOM-UHFFFAOYSA-N 1 3 352.482 3.146 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000416004755 499940241 /nfs/dbraw/zinc/94/02/41/499940241.db2.gz HKRUNDUXWWNWQJ-HXUWFJFHSA-N 1 3 352.482 3.494 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417178174 499996225 /nfs/dbraw/zinc/99/62/25/499996225.db2.gz MJJXLDUKAUEQOY-FQEVSTJZSA-N 1 3 368.525 3.402 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211720 500006375 /nfs/dbraw/zinc/00/63/75/500006375.db2.gz GTDQKAMLJBYHNW-SESVDKBCSA-N 1 3 372.557 3.086 20 0 FGADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC ZINC000417295223 500031333 /nfs/dbraw/zinc/03/13/33/500031333.db2.gz JMKHHQQLRKGXMM-HZPDHXFCSA-N 1 3 374.451 3.125 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314444 500037339 /nfs/dbraw/zinc/03/73/39/500037339.db2.gz ZBCAECDURNJQGR-AYOQOUSVSA-N 1 3 371.550 3.321 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000417358148 500048771 /nfs/dbraw/zinc/04/87/71/500048771.db2.gz SNJHTTLSNFXOCC-OAQYLSRUSA-N 1 3 372.557 3.163 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417391851 500058333 /nfs/dbraw/zinc/05/83/33/500058333.db2.gz OBWKYHIMZDMXRS-NRFANRHFSA-N 1 3 368.525 3.261 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505675 506174167 /nfs/dbraw/zinc/17/41/67/506174167.db2.gz LTDGBGSBTGAPED-OAQYLSRUSA-N 1 3 369.557 3.059 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429514793 500091360 /nfs/dbraw/zinc/09/13/60/500091360.db2.gz AJRLELDWBMOPSV-IBGZPJMESA-N 1 3 359.558 3.261 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100615 /nfs/dbraw/zinc/10/06/15/500100615.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 1 3 356.510 3.282 20 0 FGADHO COC(=O)[C@H](CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100617 /nfs/dbraw/zinc/10/06/17/500100617.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 1 3 356.510 3.282 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435738 500106085 /nfs/dbraw/zinc/10/60/85/500106085.db2.gz UHLJQZIJGVEUAZ-QUCCMNQESA-N 1 3 368.525 3.370 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000414065632 500142600 /nfs/dbraw/zinc/14/26/00/500142600.db2.gz GFHLXSLBXDIQPR-WIYYLYMNSA-N 1 3 353.510 3.175 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417677518 500147086 /nfs/dbraw/zinc/14/70/86/500147086.db2.gz FVZNIKGPOAYEKY-IMFGXOCKSA-N 1 3 358.530 3.029 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000417698501 500151876 /nfs/dbraw/zinc/15/18/76/500151876.db2.gz GIVUOCJUFXPGCF-VQIMIIECSA-N 1 3 354.498 3.115 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000417705723 500153325 /nfs/dbraw/zinc/15/33/25/500153325.db2.gz NUCXKCVWPSYNSJ-QGZVFWFLSA-N 1 3 360.546 3.147 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN(CCN(C)C)CC2)C(C)C)c(F)c1 ZINC000421818398 500158231 /nfs/dbraw/zinc/15/82/31/500158231.db2.gz AQMLJIUTRYRNKE-HXUWFJFHSA-N 1 3 351.510 3.147 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417752047 500163765 /nfs/dbraw/zinc/16/37/65/500163765.db2.gz QGJXIRUASFFKOA-HXUWFJFHSA-N 1 3 360.546 3.231 20 0 FGADHO COc1ccccc1-n1nccc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000430020600 500181964 /nfs/dbraw/zinc/18/19/64/500181964.db2.gz HKYRVAJQNFLLRV-GOSISDBHSA-N 1 3 356.514 3.483 20 0 FGADHO COc1ccccc1-n1nccc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000430020600 500181967 /nfs/dbraw/zinc/18/19/67/500181967.db2.gz HKYRVAJQNFLLRV-GOSISDBHSA-N 1 3 356.514 3.483 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417988164 500210331 /nfs/dbraw/zinc/21/03/31/500210331.db2.gz RSYKHIGWVMBLIM-WIYYLYMNSA-N 1 3 368.525 3.286 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017105 500214790 /nfs/dbraw/zinc/21/47/90/500214790.db2.gz RZMWDELSLZMSMY-FIKGOQFSSA-N 1 3 366.509 3.026 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418046182 500219914 /nfs/dbraw/zinc/21/99/14/500219914.db2.gz PYWGWQBNRDBZIS-CTNGQTDRSA-N 1 3 360.546 3.056 20 0 FGADHO CC(C)(CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000418060349 500223818 /nfs/dbraw/zinc/22/38/18/500223818.db2.gz CGRGDQNYSWLOQV-FQEVSTJZSA-N 1 3 368.525 3.261 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337977 500264504 /nfs/dbraw/zinc/26/45/04/500264504.db2.gz YQOWSZSZBOXFGQ-FFZOFVMBSA-N 1 3 360.546 3.324 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337977 500264507 /nfs/dbraw/zinc/26/45/07/500264507.db2.gz YQOWSZSZBOXFGQ-FFZOFVMBSA-N 1 3 360.546 3.324 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418365498 500268532 /nfs/dbraw/zinc/26/85/32/500268532.db2.gz XVMGETTVEHYUCR-VQTJNVASSA-N 1 3 358.530 3.080 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000418365496 500268699 /nfs/dbraw/zinc/26/86/99/500268699.db2.gz XVMGETTVEHYUCR-PMACEKPBSA-N 1 3 358.530 3.080 20 0 FGADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708055 500272821 /nfs/dbraw/zinc/27/28/21/500272821.db2.gz RTKCPXVHJZTNLY-NRFANRHFSA-N 1 3 355.526 3.163 20 0 FGADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708055 500272825 /nfs/dbraw/zinc/27/28/25/500272825.db2.gz RTKCPXVHJZTNLY-NRFANRHFSA-N 1 3 355.526 3.163 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418422199 500274093 /nfs/dbraw/zinc/27/40/93/500274093.db2.gz COOYPFCVOZWEBV-IRLDBZIGSA-N 1 3 372.557 3.058 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418453768 500278304 /nfs/dbraw/zinc/27/83/04/500278304.db2.gz ZLSSVTGNOLYCBT-DFQSSKMNSA-N 1 3 360.546 3.198 20 0 FGADHO [NH3+][C@H]1CCC[C@@H]1NCCSCCOc1cccc(Br)c1 ZINC000422710492 500287702 /nfs/dbraw/zinc/28/77/02/500287702.db2.gz LIROPMXJOHQYPP-GJZGRUSLSA-N 1 3 359.333 3.031 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715713 500289570 /nfs/dbraw/zinc/28/95/70/500289570.db2.gz MLPYAEXCMWOQLH-ICSRJNTNSA-N 1 3 370.472 3.260 20 0 FGADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418553968 500291101 /nfs/dbraw/zinc/29/11/01/500291101.db2.gz NGPBEJPRUGMMPI-UHFFFAOYSA-N 1 3 370.541 3.087 20 0 FGADHO C[C@@H](C[NH3+])NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418571276 500293019 /nfs/dbraw/zinc/29/30/19/500293019.db2.gz RIOPXHZJHKZDIM-GHTZIAJQSA-N 1 3 372.557 3.200 20 0 FGADHO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCCC2)c1 ZINC000422756489 500294578 /nfs/dbraw/zinc/29/45/78/500294578.db2.gz IXLIZLGWRHRFJZ-OPAMFIHVSA-N 1 3 368.525 3.345 20 0 FGADHO CN(C)C[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000430840398 500294608 /nfs/dbraw/zinc/29/46/08/500294608.db2.gz RQMJTRPDMZNZMU-FQEVSTJZSA-N 1 3 364.493 3.023 20 0 FGADHO COc1cccc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422759306 500294654 /nfs/dbraw/zinc/29/46/54/500294654.db2.gz KRUFVTTZXRBZBA-LQBOVUBWSA-N 1 3 353.510 3.212 20 0 FGADHO CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)Cc1cccc(Br)c1 ZINC000422761404 500295058 /nfs/dbraw/zinc/29/50/58/500295058.db2.gz RFIHJPXLAOUVTQ-DFEHZGFQSA-N 1 3 369.347 3.360 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)c1 ZINC000422763051 500295354 /nfs/dbraw/zinc/29/53/54/500295354.db2.gz OKOAMFISYNKOAO-TZYHBYERSA-N 1 3 367.537 3.380 20 0 FGADHO COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422763051 500295355 /nfs/dbraw/zinc/29/53/55/500295355.db2.gz OKOAMFISYNKOAO-TZYHBYERSA-N 1 3 367.537 3.380 20 0 FGADHO C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791271 500298265 /nfs/dbraw/zinc/29/82/65/500298265.db2.gz QBYUYANLEGKBBJ-FPDPHYFHSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422791276 500298284 /nfs/dbraw/zinc/29/82/84/500298284.db2.gz QBYUYANLEGKBBJ-YWMUFLPLSA-N 1 3 356.441 3.439 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798927 500299040 /nfs/dbraw/zinc/29/90/40/500299040.db2.gz UHGHQJREQTUIID-GXTWGEPZSA-N 1 3 365.880 3.143 20 0 FGADHO Cc1cccc(N2CCN(CCCN[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422809123 500300407 /nfs/dbraw/zinc/30/04/07/500300407.db2.gz PHMKINDUTJOGKM-PKTZIBPZSA-N 1 3 364.537 3.242 20 0 FGADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000422809123 500300410 /nfs/dbraw/zinc/30/04/10/500300410.db2.gz PHMKINDUTJOGKM-PKTZIBPZSA-N 1 3 364.537 3.242 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422871126 500308172 /nfs/dbraw/zinc/30/81/72/500308172.db2.gz ZVFVZKDEXRFVPD-XJKSGUPXSA-N 1 3 353.388 3.071 20 0 FGADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418687590 500308209 /nfs/dbraw/zinc/30/82/09/500308209.db2.gz DNJBEGCUPJRDEN-GGPKGHCWSA-N 1 3 360.546 3.198 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422869798 500308335 /nfs/dbraw/zinc/30/83/35/500308335.db2.gz APUIULLKPGTODI-NRSPTQNISA-N 1 3 357.542 3.121 20 0 FGADHO C[C@H](CCC[NH3+])N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000422885035 500310927 /nfs/dbraw/zinc/31/09/27/500310927.db2.gz SZRKGPVNCQUQHX-CZUORRHYSA-N 1 3 357.420 3.086 20 0 FGADHO Cc1ccc(CCC2CCN(C(=O)CN3CCC([C@H](C)[NH3+])CC3)CC2)cc1 ZINC000430949908 500312263 /nfs/dbraw/zinc/31/22/63/500312263.db2.gz FJHBDLOHYDSTDV-IBGZPJMESA-N 1 3 371.569 3.225 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCNCC[C@H]2C)CCOCC1 ZINC000422897229 500312923 /nfs/dbraw/zinc/31/29/23/500312923.db2.gz BNWZMFBGVDSMMH-QAPCUYQASA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422897229 500312925 /nfs/dbraw/zinc/31/29/25/500312925.db2.gz BNWZMFBGVDSMMH-QAPCUYQASA-N 1 3 366.933 3.375 20 0 FGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422897117 500313126 /nfs/dbraw/zinc/31/31/26/500313126.db2.gz JAIFLMMYAHNRAO-KZNAEPCWSA-N 1 3 352.906 3.164 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422899849 500313273 /nfs/dbraw/zinc/31/32/73/500313273.db2.gz PILJAQRVMPXMCS-MPGHIAIKSA-N 1 3 366.347 3.383 20 0 FGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422900425 500314021 /nfs/dbraw/zinc/31/40/21/500314021.db2.gz QKSXYHSJJXQKRT-RKVPGOIHSA-N 1 3 366.347 3.253 20 0 FGADHO CCN1CCN(Cc2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915284 500316101 /nfs/dbraw/zinc/31/61/01/500316101.db2.gz APVCFNKVJAVHQE-FDFHNCONSA-N 1 3 356.558 3.157 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935759 500319638 /nfs/dbraw/zinc/31/96/38/500319638.db2.gz DNTAHOLZEPLUKC-VXGBXAGGSA-N 1 3 357.292 3.388 20 0 FGADHO Brc1cccc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422962577 500324839 /nfs/dbraw/zinc/32/48/39/500324839.db2.gz GFBLPGGRUZZMON-BRWVUGGUSA-N 1 3 352.320 3.371 20 0 FGADHO C[C@@H]1C[N@@H+](CCC2CCN(CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821465 500325031 /nfs/dbraw/zinc/32/50/31/500325031.db2.gz SXSAVFMZVLYXMT-HDICACEKSA-N 1 3 364.505 3.416 20 0 FGADHO C[C@@H]1C[N@H+](CCC2CCN(CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821465 500325033 /nfs/dbraw/zinc/32/50/33/500325033.db2.gz SXSAVFMZVLYXMT-HDICACEKSA-N 1 3 364.505 3.416 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996417 500328224 /nfs/dbraw/zinc/32/82/24/500328224.db2.gz LXQLNDYHDFNHLI-XEZPLFJOSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)c1ccccc1Br ZINC000422996417 500328226 /nfs/dbraw/zinc/32/82/26/500328226.db2.gz LXQLNDYHDFNHLI-XEZPLFJOSA-N 1 3 355.320 3.069 20 0 FGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014481 500330929 /nfs/dbraw/zinc/33/09/29/500330929.db2.gz PFCVYYRGJZSZML-MFKMUULPSA-N 1 3 351.800 3.240 20 0 FGADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021903 500331947 /nfs/dbraw/zinc/33/19/47/500331947.db2.gz GNQBASZQAUYNSU-NWDGAFQWSA-N 1 3 367.209 3.316 20 0 FGADHO Cc1cc(Br)cn2cc(CNC3CCC(C[NH3+])CC3)nc12 ZINC000423034534 500333001 /nfs/dbraw/zinc/33/30/01/500333001.db2.gz HZVIFFUJJUSKHL-UHFFFAOYSA-N 1 3 351.292 3.012 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCc2ccccc2F)cc1 ZINC000423051786 500335855 /nfs/dbraw/zinc/33/58/55/500335855.db2.gz PAYDYGMQWVTGLX-ZRCAFCQKSA-N 1 3 358.457 3.247 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341572 /nfs/dbraw/zinc/34/15/72/500341572.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 1 3 367.537 3.128 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341576 /nfs/dbraw/zinc/34/15/76/500341576.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 1 3 367.537 3.128 20 0 FGADHO Fc1ccc(C2CC(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423094847 500341885 /nfs/dbraw/zinc/34/18/85/500341885.db2.gz CVEGNNYWDQDTNX-KKYACZQASA-N 1 3 352.881 3.472 20 0 FGADHO FC(F)O[C@@H]1CCCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423103508 500342353 /nfs/dbraw/zinc/34/23/53/500342353.db2.gz AUCPWSPGUYUIFM-LFEHRJTNSA-N 1 3 352.425 3.382 20 0 FGADHO CCCN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104678 500343065 /nfs/dbraw/zinc/34/30/65/500343065.db2.gz MKHNCYONXXCRCG-ZWQIFLOQSA-N 1 3 353.938 3.065 20 0 FGADHO FC(F)(F)[C@H](CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423140733 500347622 /nfs/dbraw/zinc/34/76/22/500347622.db2.gz ZJWLQIJQDYDNAJ-XWTMOSNGSA-N 1 3 356.432 3.469 20 0 FGADHO COCCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000423384982 500368920 /nfs/dbraw/zinc/36/89/20/500368920.db2.gz LESDNEJMLLOKBR-OAHLLOKOSA-N 1 3 356.466 3.174 20 0 FGADHO CCSc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423400695 500370773 /nfs/dbraw/zinc/37/07/73/500370773.db2.gz WZUCMTBKTUPKNU-XJKSGUPXSA-N 1 3 361.477 3.285 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000427269739 500375438 /nfs/dbraw/zinc/37/54/38/500375438.db2.gz NCODNCLRPKYQSD-PBHICJAKSA-N 1 3 371.447 3.204 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280836 500377344 /nfs/dbraw/zinc/37/73/44/500377344.db2.gz MDTMRODQUVUFOT-NQIIRXRSSA-N 1 3 371.569 3.355 20 0 FGADHO CCc1ccccc1[C@H](N)CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423513937 500381304 /nfs/dbraw/zinc/38/13/04/500381304.db2.gz VVVWNKZQKXTJBD-FSSWDIPSSA-N 1 3 353.510 3.340 20 0 FGADHO COc1ccc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1F ZINC000423577733 500386347 /nfs/dbraw/zinc/38/63/47/500386347.db2.gz SREZBEMTTHJFHJ-KRWDZBQOSA-N 1 3 371.500 3.478 20 0 FGADHO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000419696434 500390510 /nfs/dbraw/zinc/39/05/10/500390510.db2.gz VEMHSOYASDBARV-OALUTQOASA-N 1 3 356.558 3.289 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830261 500430312 /nfs/dbraw/zinc/43/03/12/500430312.db2.gz JHKPEYRKIMGKRU-BVYCBKJFSA-N 1 3 365.521 3.316 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883442 500442246 /nfs/dbraw/zinc/44/22/46/500442246.db2.gz CHXGZUZOQAFSGN-WMZOPIPTSA-N 1 3 351.560 3.420 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346472 500445309 /nfs/dbraw/zinc/44/53/09/500445309.db2.gz YJFQMIPRMANHSQ-PMACEKPBSA-N 1 3 357.542 3.135 20 0 FGADHO CN(C)CCN(Cc1ccccn1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424184954 500465023 /nfs/dbraw/zinc/46/50/23/500465023.db2.gz YRFUJNJLZJLJNC-IBGZPJMESA-N 1 3 360.546 3.050 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274247 500479789 /nfs/dbraw/zinc/47/97/89/500479789.db2.gz YMVISCSHLIRNHT-MESAYYPLSA-N 1 3 371.569 3.117 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283726 500480902 /nfs/dbraw/zinc/48/09/02/500480902.db2.gz BSCNMKFEGWGSRO-SFHVURJKSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285176 500481252 /nfs/dbraw/zinc/48/12/52/500481252.db2.gz FKHUMTLPDRJNIS-ZDUSSCGKSA-N 1 3 355.404 3.108 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424421538 500501245 /nfs/dbraw/zinc/50/12/45/500501245.db2.gz YFGOJSOOYGQWRG-PZJWPPBQSA-N 1 3 364.493 3.144 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000424427694 500503124 /nfs/dbraw/zinc/50/31/24/500503124.db2.gz QKHIZWHTQHSCJJ-OXJNMPFZSA-N 1 3 352.482 3.238 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984869 500548431 /nfs/dbraw/zinc/54/84/31/500548431.db2.gz UYUZTEGFIMYTRS-PZJWPPBQSA-N 1 3 351.579 3.074 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984869 500548434 /nfs/dbraw/zinc/54/84/34/500548434.db2.gz UYUZTEGFIMYTRS-PZJWPPBQSA-N 1 3 351.579 3.074 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000420986452 500548848 /nfs/dbraw/zinc/54/88/48/500548848.db2.gz YMIQEQNRUZWKFJ-UHFFFAOYSA-N 1 3 370.463 3.092 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000420986452 500548852 /nfs/dbraw/zinc/54/88/52/500548852.db2.gz YMIQEQNRUZWKFJ-UHFFFAOYSA-N 1 3 370.463 3.092 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000420986452 500548854 /nfs/dbraw/zinc/54/88/54/500548854.db2.gz YMIQEQNRUZWKFJ-UHFFFAOYSA-N 1 3 370.463 3.092 20 0 FGADHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC000573487115 506202976 /nfs/dbraw/zinc/20/29/76/506202976.db2.gz FZBUKJAIPVOBNQ-UHFFFAOYSA-N 1 3 357.542 3.118 20 0 FGADHO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000432797960 500565571 /nfs/dbraw/zinc/56/55/71/500565571.db2.gz GXPLGZMUOUCQAI-GHTZIAJQSA-N 1 3 357.542 3.244 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C(C)C)C2)CC1 ZINC000432833226 500574389 /nfs/dbraw/zinc/57/43/89/500574389.db2.gz VPZJWONVLYTUJV-LJQANCHMSA-N 1 3 357.542 3.054 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442615961 500604660 /nfs/dbraw/zinc/60/46/60/500604660.db2.gz CAHUTPRVCYINAS-UHFFFAOYSA-N 1 3 352.567 3.016 20 0 FGADHO CC(C)N(C)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049488 500613541 /nfs/dbraw/zinc/61/35/41/500613541.db2.gz VFWDDZZEIRIVPT-IBGZPJMESA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783606 500625462 /nfs/dbraw/zinc/62/54/62/500625462.db2.gz QFOSKTVCFZUPQG-JXXFODFXSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783606 500625463 /nfs/dbraw/zinc/62/54/63/500625463.db2.gz QFOSKTVCFZUPQG-JXXFODFXSA-N 1 3 357.523 3.013 20 0 FGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783606 500625467 /nfs/dbraw/zinc/62/54/67/500625467.db2.gz QFOSKTVCFZUPQG-JXXFODFXSA-N 1 3 357.523 3.013 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597679 500631401 /nfs/dbraw/zinc/63/14/01/500631401.db2.gz TUQXBJWHEPMPBW-OGXDUAGGSA-N 1 3 370.537 3.498 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597679 500631403 /nfs/dbraw/zinc/63/14/03/500631403.db2.gz TUQXBJWHEPMPBW-OGXDUAGGSA-N 1 3 370.537 3.498 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000442874879 500637871 /nfs/dbraw/zinc/63/78/71/500637871.db2.gz MVRZVKIENYWOAG-GOSISDBHSA-N 1 3 365.949 3.478 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888367 500641679 /nfs/dbraw/zinc/64/16/79/500641679.db2.gz GGAHWQDRDBDRBD-GOSISDBHSA-N 1 3 352.526 3.425 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964190 500697787 /nfs/dbraw/zinc/69/77/87/500697787.db2.gz PKPOITQJKZZGEW-SFHVURJKSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275580 500703028 /nfs/dbraw/zinc/70/30/28/500703028.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 1 3 367.537 3.030 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000443275580 500703030 /nfs/dbraw/zinc/70/30/30/500703030.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 1 3 367.537 3.030 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000437864113 500708812 /nfs/dbraw/zinc/70/88/12/500708812.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 1 3 362.562 3.100 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000437864113 500708816 /nfs/dbraw/zinc/70/88/16/500708816.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000443379929 500716591 /nfs/dbraw/zinc/71/65/91/500716591.db2.gz NMYKKQPAXWFCTL-IBGZPJMESA-N 1 3 360.546 3.423 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000443379929 500716593 /nfs/dbraw/zinc/71/65/93/500716593.db2.gz NMYKKQPAXWFCTL-IBGZPJMESA-N 1 3 360.546 3.423 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)C1 ZINC000443636332 500748006 /nfs/dbraw/zinc/74/80/06/500748006.db2.gz AYQCVKKONGTELB-RBUKOAKNSA-N 1 3 357.542 3.267 20 0 FGADHO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482296 500790951 /nfs/dbraw/zinc/79/09/51/500790951.db2.gz KSTXEWDGBMMXJK-ICSRJNTNSA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482296 500790953 /nfs/dbraw/zinc/79/09/53/500790953.db2.gz KSTXEWDGBMMXJK-ICSRJNTNSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444024658 500793923 /nfs/dbraw/zinc/79/39/23/500793923.db2.gz XQWVJJKKSHFBEO-GUDVDZBRSA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000434348020 500829531 /nfs/dbraw/zinc/82/95/31/500829531.db2.gz CXVJSNWVLCKYJQ-XLIONFOSSA-N 1 3 372.557 3.432 20 0 FGADHO CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440947 500843394 /nfs/dbraw/zinc/84/33/94/500843394.db2.gz FAGZYMMFHACGHX-NRFANRHFSA-N 1 3 369.553 3.422 20 0 FGADHO CCN1CCN(CCCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449080269 500919260 /nfs/dbraw/zinc/91/92/60/500919260.db2.gz UTABYQIQGJCMEE-UHFFFAOYSA-N 1 3 351.579 3.264 20 0 FGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)Cc2ccccc2)CC1 ZINC000449125345 500930616 /nfs/dbraw/zinc/93/06/16/500930616.db2.gz JCDAJGFBZGILMM-AUSIDOKSSA-N 1 3 352.522 3.275 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789877 500939579 /nfs/dbraw/zinc/93/95/79/500939579.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789877 500939582 /nfs/dbraw/zinc/93/95/82/500939582.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 1 3 355.526 3.173 20 0 FGADHO CN(C)CCOc1cc(C[NH2+]C2CCC(OC3CCCC3)CC2)ccn1 ZINC000449222379 500951211 /nfs/dbraw/zinc/95/12/11/500951211.db2.gz MDUSZBOSQDWOJC-UHFFFAOYSA-N 1 3 361.530 3.382 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000449244699 500956209 /nfs/dbraw/zinc/95/62/09/500956209.db2.gz VEESJKMVSAXDIQ-LJQANCHMSA-N 1 3 354.579 3.433 20 0 FGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](CCO)C2CCOCC2)CC1 ZINC000449244699 500956210 /nfs/dbraw/zinc/95/62/10/500956210.db2.gz VEESJKMVSAXDIQ-LJQANCHMSA-N 1 3 354.579 3.433 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449498058 501018284 /nfs/dbraw/zinc/01/82/84/501018284.db2.gz JQRKWWMZHMUJOD-NRFANRHFSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449498058 501018287 /nfs/dbraw/zinc/01/82/87/501018287.db2.gz JQRKWWMZHMUJOD-NRFANRHFSA-N 1 3 359.558 3.466 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000446562144 501133328 /nfs/dbraw/zinc/13/33/28/501133328.db2.gz ANVBYZYHEUFDKE-UHFFFAOYSA-N 1 3 354.498 3.174 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000457646138 501276250 /nfs/dbraw/zinc/27/62/50/501276250.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 1 3 360.546 3.151 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000457646138 501276252 /nfs/dbraw/zinc/27/62/52/501276252.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 1 3 360.546 3.151 20 0 FGADHO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000453196995 501289338 /nfs/dbraw/zinc/28/93/38/501289338.db2.gz MPKROEZHZMFDEU-AVRDEDQJSA-N 1 3 353.510 3.149 20 0 FGADHO CCn1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1=O ZINC000453208533 501291700 /nfs/dbraw/zinc/29/17/00/501291700.db2.gz BYLUZACOOSBVIP-YPAWHYETSA-N 1 3 365.521 3.401 20 0 FGADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000458128212 501377190 /nfs/dbraw/zinc/37/71/90/501377190.db2.gz NCUDELDLAFAZER-HXUWFJFHSA-N 1 3 364.578 3.203 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(N4CC=CC4)CC3)ccc21 ZINC000455928993 501418585 /nfs/dbraw/zinc/41/85/85/501418585.db2.gz NZDSIRMZGORVML-HXUWFJFHSA-N 1 3 354.498 3.104 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456287220 501488687 /nfs/dbraw/zinc/48/86/87/501488687.db2.gz VVHVDKFQPUEMHS-HXUWFJFHSA-N 1 3 367.493 3.428 20 0 FGADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCC(Cc2ccccc2)CC1 ZINC000456317120 501496275 /nfs/dbraw/zinc/49/62/75/501496275.db2.gz GFHIXBCRDZIBHF-AMZGXZFVSA-N 1 3 369.553 3.071 20 0 FGADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCC(Cc2ccccc2)CC1 ZINC000456317120 501496277 /nfs/dbraw/zinc/49/62/77/501496277.db2.gz GFHIXBCRDZIBHF-AMZGXZFVSA-N 1 3 369.553 3.071 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC(C[NH+](C)C)CC2)CCC1 ZINC000458985217 501571369 /nfs/dbraw/zinc/57/13/69/501571369.db2.gz XAKPEKNSRVKKNM-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+]1CCC(NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000454617504 501593535 /nfs/dbraw/zinc/59/35/35/501593535.db2.gz LDQMLSLQDOXYBW-UHFFFAOYSA-N 1 3 352.567 3.013 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459263205 501621499 /nfs/dbraw/zinc/62/14/99/501621499.db2.gz MCIVCLWCSRNVNY-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459263205 501621503 /nfs/dbraw/zinc/62/15/03/501621503.db2.gz MCIVCLWCSRNVNY-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459271212 501622554 /nfs/dbraw/zinc/62/25/54/501622554.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459271212 501622555 /nfs/dbraw/zinc/62/25/55/501622555.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788490 501629859 /nfs/dbraw/zinc/62/98/59/501629859.db2.gz BCBJHIGGCRQWDQ-CTNGQTDRSA-N 1 3 372.557 3.072 20 0 FGADHO COc1cc2c(cc1C[NH2+]C1CCN(c3ccncc3)CC1)O[C@H](C)C2 ZINC000459372187 501641544 /nfs/dbraw/zinc/64/15/44/501641544.db2.gz UFUWLNOWISLGNN-OAHLLOKOSA-N 1 3 353.466 3.172 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1)CC1CC1 ZINC000459471924 501659486 /nfs/dbraw/zinc/65/94/86/501659486.db2.gz OAYCLYXRPSJAMG-UHFFFAOYSA-N 1 3 358.530 3.394 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1)CC1CC1 ZINC000459471924 501659488 /nfs/dbraw/zinc/65/94/88/501659488.db2.gz OAYCLYXRPSJAMG-UHFFFAOYSA-N 1 3 358.530 3.394 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457477324 501706374 /nfs/dbraw/zinc/70/63/74/501706374.db2.gz BKWWNINUHIRWGW-INIZCTEOSA-N 1 3 364.559 3.059 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459773772 501712185 /nfs/dbraw/zinc/71/21/85/501712185.db2.gz PNIOYBDNHXOKPM-UHFFFAOYSA-N 1 3 369.553 3.388 20 0 FGADHO Cc1cc(Br)cn2c(CNCC[C@@H]3CCC[N@@H+](C)C3)cnc12 ZINC000459775980 501712808 /nfs/dbraw/zinc/71/28/08/501712808.db2.gz JTIRNBWZJVXCGW-AWEZNQCLSA-N 1 3 365.319 3.227 20 0 FGADHO Cc1cc(Br)cn2c(CNCC[C@@H]3CCC[N@H+](C)C3)cnc12 ZINC000459775980 501712809 /nfs/dbraw/zinc/71/28/09/501712809.db2.gz JTIRNBWZJVXCGW-AWEZNQCLSA-N 1 3 365.319 3.227 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457518246 501715259 /nfs/dbraw/zinc/71/52/59/501715259.db2.gz DJZZYQBYUSNOAJ-GOSISDBHSA-N 1 3 372.557 3.154 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000470663523 501758471 /nfs/dbraw/zinc/75/84/71/501758471.db2.gz PSVZSEVGIHISJQ-IBGZPJMESA-N 1 3 363.521 3.228 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000467295239 501762252 /nfs/dbraw/zinc/76/22/52/501762252.db2.gz KZHFMXGJUIXWCN-INIZCTEOSA-N 1 3 357.464 3.254 20 0 FGADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000481498262 501792936 /nfs/dbraw/zinc/79/29/36/501792936.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 1 3 371.569 3.450 20 0 FGADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000481498262 501792941 /nfs/dbraw/zinc/79/29/41/501792941.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 1 3 371.569 3.450 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373372 501807809 /nfs/dbraw/zinc/80/78/09/501807809.db2.gz DUXVVOJYNNTIDW-FCHUYYIVSA-N 1 3 365.521 3.113 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477860061 501811633 /nfs/dbraw/zinc/81/16/33/501811633.db2.gz LYYFUCZJKPAHHX-XJKSGUPXSA-N 1 3 359.495 3.027 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477860061 501811637 /nfs/dbraw/zinc/81/16/37/501811637.db2.gz LYYFUCZJKPAHHX-XJKSGUPXSA-N 1 3 359.495 3.027 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)c2)n1 ZINC000477860053 501811775 /nfs/dbraw/zinc/81/17/75/501811775.db2.gz LYYFUCZJKPAHHX-BBRMVZONSA-N 1 3 359.495 3.027 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477860053 501811779 /nfs/dbraw/zinc/81/17/79/501811779.db2.gz LYYFUCZJKPAHHX-BBRMVZONSA-N 1 3 359.495 3.027 20 0 FGADHO CCCCNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472739 501830795 /nfs/dbraw/zinc/83/07/95/501830795.db2.gz XDVXTOFFWKBHFN-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479899 501833170 /nfs/dbraw/zinc/83/31/70/501833170.db2.gz WZZYCIHVWHPIKD-RBUKOAKNSA-N 1 3 357.542 3.278 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835020 /nfs/dbraw/zinc/83/50/20/501835020.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835024 /nfs/dbraw/zinc/83/50/24/501835024.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 1 3 374.573 3.459 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000464061235 501886835 /nfs/dbraw/zinc/88/68/35/501886835.db2.gz AUDMMRLXMQLYMO-NJDAHSKKSA-N 1 3 360.542 3.354 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952352 501926967 /nfs/dbraw/zinc/92/69/67/501926967.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952352 501926971 /nfs/dbraw/zinc/92/69/71/501926971.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 1 3 361.574 3.324 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952352 501926974 /nfs/dbraw/zinc/92/69/74/501926974.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 1 3 361.574 3.324 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000471216762 501958799 /nfs/dbraw/zinc/95/87/99/501958799.db2.gz RRTITAWTJCUXPX-DBXWQHBBSA-N 1 3 359.558 3.367 20 0 FGADHO NCc1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000485882240 501973750 /nfs/dbraw/zinc/97/37/50/501973750.db2.gz PUDRPAWKPOTXQG-UHFFFAOYSA-N 1 3 363.383 3.105 20 0 FGADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482113796 501978346 /nfs/dbraw/zinc/97/83/46/501978346.db2.gz ZFQUAXHPYMDIRM-QFIPXVFZSA-N 1 3 350.510 3.179 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000485910715 501985050 /nfs/dbraw/zinc/98/50/50/501985050.db2.gz XRQWYCGKNDKLIK-YPAWHYETSA-N 1 3 369.553 3.245 20 0 FGADHO CCOC(=O)c1coc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000474937872 501998453 /nfs/dbraw/zinc/99/84/53/501998453.db2.gz APECKQSVQIYCLG-UHFFFAOYSA-N 1 3 357.454 3.200 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000478513528 502005627 /nfs/dbraw/zinc/00/56/27/502005627.db2.gz BZRBJHNWDPWXKA-PZJWPPBQSA-N 1 3 366.509 3.082 20 0 FGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513528 502005630 /nfs/dbraw/zinc/00/56/30/502005630.db2.gz BZRBJHNWDPWXKA-PZJWPPBQSA-N 1 3 366.509 3.082 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000478513528 502005634 /nfs/dbraw/zinc/00/56/34/502005634.db2.gz BZRBJHNWDPWXKA-PZJWPPBQSA-N 1 3 366.509 3.082 20 0 FGADHO CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475020052 502023854 /nfs/dbraw/zinc/02/38/54/502023854.db2.gz XFQRGFCIZWBOOD-HXUWFJFHSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000475020608 502023927 /nfs/dbraw/zinc/02/39/27/502023927.db2.gz YTLKFDQJZZKLLR-HXUWFJFHSA-N 1 3 360.546 3.021 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000468425502 502055964 /nfs/dbraw/zinc/05/59/64/502055964.db2.gz AMQHGDCLXPUAIM-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000464778189 502092184 /nfs/dbraw/zinc/09/21/84/502092184.db2.gz RRTITAWTJCUXPX-OPYAIIAOSA-N 1 3 359.558 3.367 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101051 /nfs/dbraw/zinc/10/10/51/502101051.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101060 /nfs/dbraw/zinc/10/10/60/502101060.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 1 3 357.542 3.150 20 0 FGADHO CCSc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000486269979 502106228 /nfs/dbraw/zinc/10/62/28/502106228.db2.gz LFBOANMYOMFCHV-SFHVURJKSA-N 1 3 363.571 3.287 20 0 FGADHO CCSc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000486269979 502106229 /nfs/dbraw/zinc/10/62/29/502106229.db2.gz LFBOANMYOMFCHV-SFHVURJKSA-N 1 3 363.571 3.287 20 0 FGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541858 502106601 /nfs/dbraw/zinc/10/66/01/502106601.db2.gz HHTAAFATVPADDF-WBMJQRKESA-N 1 3 370.324 3.158 20 0 FGADHO CC[C@@H](C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1)[NH+](CC)CC ZINC000461501510 502132110 /nfs/dbraw/zinc/13/21/10/502132110.db2.gz BQDTUMDPFBYIFU-UXHICEINSA-N 1 3 361.530 3.069 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000468691656 502148071 /nfs/dbraw/zinc/14/80/71/502148071.db2.gz YGFFPOPMJYEZMG-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000468691656 502148077 /nfs/dbraw/zinc/14/80/77/502148077.db2.gz YGFFPOPMJYEZMG-HXUWFJFHSA-N 1 3 359.558 3.467 20 0 FGADHO NC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000479182675 502185119 /nfs/dbraw/zinc/18/51/19/502185119.db2.gz HFNORDDHTUFGBL-NRFANRHFSA-N 1 3 369.484 3.170 20 0 FGADHO C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725137 502266753 /nfs/dbraw/zinc/26/67/53/502266753.db2.gz XYMSWCQLKGLSGI-GUDVDZBRSA-N 1 3 357.542 3.265 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727571 502267660 /nfs/dbraw/zinc/26/76/60/502267660.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727571 502267666 /nfs/dbraw/zinc/26/76/66/502267666.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 1 3 369.553 3.376 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275918 /nfs/dbraw/zinc/27/59/18/502275918.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275922 /nfs/dbraw/zinc/27/59/22/502275922.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 1 3 374.573 3.410 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536486 502296473 /nfs/dbraw/zinc/29/64/73/502296473.db2.gz DXUWZAHMDCKHQA-CTNGQTDRSA-N 1 3 374.573 3.270 20 0 FGADHO C(=C/c1ccncc1)\C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000486931719 502307017 /nfs/dbraw/zinc/30/70/17/502307017.db2.gz BFLUBOSWFNRRFJ-RMKNXTFCSA-N 1 3 364.537 3.282 20 0 FGADHO O=C(N[C@H]1CCCN(CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682012 502343344 /nfs/dbraw/zinc/34/33/44/502343344.db2.gz DMOPVWSNBKYCDF-SFHVURJKSA-N 1 3 355.482 3.017 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479710462 502352739 /nfs/dbraw/zinc/35/27/39/502352739.db2.gz PZLDBJMJHMUENP-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479710462 502352744 /nfs/dbraw/zinc/35/27/44/502352744.db2.gz PZLDBJMJHMUENP-LJQANCHMSA-N 1 3 352.567 3.016 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCN1C ZINC000465769583 502378683 /nfs/dbraw/zinc/37/86/83/502378683.db2.gz HNXCNSCAESQKIH-NQIIRXRSSA-N 1 3 372.557 3.345 20 0 FGADHO CC[N@H+](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397149 /nfs/dbraw/zinc/39/71/49/502397149.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397154 /nfs/dbraw/zinc/39/71/54/502397154.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000483526650 502421467 /nfs/dbraw/zinc/42/14/67/502421467.db2.gz SGZUUMKSBZDMEK-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000483526650 502421468 /nfs/dbraw/zinc/42/14/68/502421468.db2.gz SGZUUMKSBZDMEK-NQIIRXRSSA-N 1 3 372.557 3.165 20 0 FGADHO COc1cccc2c1CC[C@H]2[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000483529191 502423409 /nfs/dbraw/zinc/42/34/09/502423409.db2.gz HJZQVHWEPUBGES-HXUWFJFHSA-N 1 3 357.542 3.222 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000465920852 502427558 /nfs/dbraw/zinc/42/75/58/502427558.db2.gz GIJQVSJBCFSTSZ-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950160 502437694 /nfs/dbraw/zinc/43/76/94/502437694.db2.gz MBCBGCFRYRHKOY-FPOVZHCZSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950160 502437699 /nfs/dbraw/zinc/43/76/99/502437699.db2.gz MBCBGCFRYRHKOY-FPOVZHCZSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460048 /nfs/dbraw/zinc/46/00/48/502460048.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460052 /nfs/dbraw/zinc/46/00/52/502460052.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 1 3 372.557 3.165 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684100 502462971 /nfs/dbraw/zinc/46/29/71/502462971.db2.gz PISPWIOPWXSGPC-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684100 502462972 /nfs/dbraw/zinc/46/29/72/502462972.db2.gz PISPWIOPWXSGPC-GIVPXCGWSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472970075 502487703 /nfs/dbraw/zinc/48/77/03/502487703.db2.gz KLAADWGEBINFCM-OALUTQOASA-N 1 3 360.546 3.071 20 0 FGADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970075 502487707 /nfs/dbraw/zinc/48/77/07/502487707.db2.gz KLAADWGEBINFCM-OALUTQOASA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763686 502536583 /nfs/dbraw/zinc/53/65/83/502536583.db2.gz LEGTXNFSFKQMCJ-LMVRJCEZSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]1CCCN1C(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763686 502536586 /nfs/dbraw/zinc/53/65/86/502536586.db2.gz LEGTXNFSFKQMCJ-LMVRJCEZSA-N 1 3 357.542 3.134 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN(CC)CC)C12CCOCC2 ZINC000469788517 502545995 /nfs/dbraw/zinc/54/59/95/502545995.db2.gz BMDFBIJLVDKTIZ-YSTOQKLRSA-N 1 3 352.563 3.451 20 0 FGADHO C[C@@H](CN1CCC(OCCC[NH3+])CC1)c1cccc(Br)c1 ZINC000469855737 502569379 /nfs/dbraw/zinc/56/93/79/502569379.db2.gz WXNGTGOZWDNFPM-AWEZNQCLSA-N 1 3 355.320 3.382 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CO)Cc1ccc(F)cc1 ZINC000480468446 502576461 /nfs/dbraw/zinc/57/64/61/502576461.db2.gz KQUCDTONMVZSDQ-NRFANRHFSA-N 1 3 358.501 3.477 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CO)Cc1ccc(F)cc1 ZINC000480468446 502576465 /nfs/dbraw/zinc/57/64/65/502576465.db2.gz KQUCDTONMVZSDQ-NRFANRHFSA-N 1 3 358.501 3.477 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000466475417 502581032 /nfs/dbraw/zinc/58/10/32/502581032.db2.gz SYRASJGXHHGEBQ-VXKWHMMOSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@H]1CCC[C@](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019066 502602494 /nfs/dbraw/zinc/60/24/94/502602494.db2.gz WDKYZMQFZYPNIJ-WFXMLNOXSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000480572076 502607937 /nfs/dbraw/zinc/60/79/37/502607937.db2.gz RIQKQXXRZXJMGQ-DYESRHJHSA-N 1 3 368.525 3.239 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000484284478 502615159 /nfs/dbraw/zinc/61/51/59/502615159.db2.gz PHPYHCOUNWHRCJ-UHFFFAOYSA-N 1 3 352.567 3.157 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990236 502619898 /nfs/dbraw/zinc/61/98/98/502619898.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990236 502619900 /nfs/dbraw/zinc/61/99/00/502619900.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 1 3 355.526 3.171 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000470014052 502630123 /nfs/dbraw/zinc/63/01/23/502630123.db2.gz UMSPJJQRMQJEED-KNQAVFIVSA-N 1 3 371.569 3.272 20 0 FGADHO COC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000480650433 502632574 /nfs/dbraw/zinc/63/25/74/502632574.db2.gz YRZLGXYLMRXIKD-UHFFFAOYSA-N 1 3 359.558 3.133 20 0 FGADHO C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CCN1Cc1ccccc1 ZINC000476989306 502643229 /nfs/dbraw/zinc/64/32/29/502643229.db2.gz MBKNEORUTNSIFG-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N(CC)CC ZINC000470083511 502654112 /nfs/dbraw/zinc/65/41/12/502654112.db2.gz VYEPUWBBOWIIBD-PXNSSMCTSA-N 1 3 361.530 3.466 20 0 FGADHO CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N(CC)CC ZINC000470083511 502654117 /nfs/dbraw/zinc/65/41/17/502654117.db2.gz VYEPUWBBOWIIBD-PXNSSMCTSA-N 1 3 361.530 3.466 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739353 502658821 /nfs/dbraw/zinc/65/88/21/502658821.db2.gz MSVKXSJVVKABFK-PZJWPPBQSA-N 1 3 374.573 3.299 20 0 FGADHO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000463089675 502689870 /nfs/dbraw/zinc/68/98/70/502689870.db2.gz FHSYUROAWMCUNP-UHFFFAOYSA-N 1 3 372.557 3.294 20 0 FGADHO COc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000470242535 502714362 /nfs/dbraw/zinc/71/43/62/502714362.db2.gz HJLKEWKNVAYFRL-SEJPIABJSA-N 1 3 351.494 3.418 20 0 FGADHO COc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000470242535 502714368 /nfs/dbraw/zinc/71/43/68/502714368.db2.gz HJLKEWKNVAYFRL-SEJPIABJSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919653 502777165 /nfs/dbraw/zinc/77/71/65/502777165.db2.gz UXMQQILCMDHHBU-IRXDYDNUSA-N 1 3 353.466 3.477 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014854 502779358 /nfs/dbraw/zinc/77/93/58/502779358.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014854 502779362 /nfs/dbraw/zinc/77/93/62/502779362.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984285 502793044 /nfs/dbraw/zinc/79/30/44/502793044.db2.gz CHEUNDGWSJBUNY-KNBMTAEXSA-N 1 3 357.523 3.013 20 0 FGADHO CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000504909988 502822589 /nfs/dbraw/zinc/82/25/89/502822589.db2.gz VLTMFIVHERCXMT-RTWAWAEBSA-N 1 3 357.542 3.374 20 0 FGADHO CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000504909988 502822592 /nfs/dbraw/zinc/82/25/92/502822592.db2.gz VLTMFIVHERCXMT-RTWAWAEBSA-N 1 3 357.542 3.374 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970985 502823750 /nfs/dbraw/zinc/82/37/50/502823750.db2.gz YDSZFZORMPXOPC-CQSZACIVSA-N 1 3 356.913 3.483 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000512970985 502823752 /nfs/dbraw/zinc/82/37/52/502823752.db2.gz YDSZFZORMPXOPC-CQSZACIVSA-N 1 3 356.913 3.483 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154932 502834354 /nfs/dbraw/zinc/83/43/54/502834354.db2.gz PEHXNPUWTOLXPS-GOEBONIOSA-N 1 3 370.440 3.235 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501039401 502918706 /nfs/dbraw/zinc/91/87/06/502918706.db2.gz WWKLRNYVICFFQV-GOSISDBHSA-N 1 3 363.546 3.161 20 0 FGADHO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]2C ZINC000501051810 502922960 /nfs/dbraw/zinc/92/29/60/502922960.db2.gz LMOPCIDHVQPBTP-MOPGFXCFSA-N 1 3 359.558 3.419 20 0 FGADHO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]2C ZINC000501051810 502922963 /nfs/dbraw/zinc/92/29/63/502922963.db2.gz LMOPCIDHVQPBTP-MOPGFXCFSA-N 1 3 359.558 3.419 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000509568548 502937369 /nfs/dbraw/zinc/93/73/69/502937369.db2.gz MBHYJCNFFOQUQN-BZSNNMDCSA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568548 502937373 /nfs/dbraw/zinc/93/73/73/502937373.db2.gz MBHYJCNFFOQUQN-BZSNNMDCSA-N 1 3 364.534 3.225 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(CC(C)C)CC1)c1ccsc1 ZINC000501111355 502941796 /nfs/dbraw/zinc/94/17/96/502941796.db2.gz VUDBWLOQTWFDCD-GOSISDBHSA-N 1 3 366.575 3.114 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000509601125 502945137 /nfs/dbraw/zinc/94/51/37/502945137.db2.gz KFDJTIBMZRWAMK-BQFCYCMXSA-N 1 3 364.534 3.081 20 0 FGADHO CC(C)[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000501161559 502952221 /nfs/dbraw/zinc/95/22/21/502952221.db2.gz DUUKRPZMQBVXDI-OAQYLSRUSA-N 1 3 374.573 3.304 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491886 502971092 /nfs/dbraw/zinc/97/10/92/502971092.db2.gz FOQNXONCUOSHIS-QKNQBKEWSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491886 502971094 /nfs/dbraw/zinc/97/10/94/502971094.db2.gz FOQNXONCUOSHIS-QKNQBKEWSA-N 1 3 372.557 3.071 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000501383869 502997216 /nfs/dbraw/zinc/99/72/16/502997216.db2.gz AOUAJAXSVQRTQO-NHCUHLMSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000501520475 503027700 /nfs/dbraw/zinc/02/77/00/503027700.db2.gz FDIQVKXFAFQRPM-RTBURBONSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501520475 503027707 /nfs/dbraw/zinc/02/77/07/503027707.db2.gz FDIQVKXFAFQRPM-RTBURBONSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830257 503044158 /nfs/dbraw/zinc/04/41/58/503044158.db2.gz KBWOYXWKNMEAFV-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[C@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909603 503064387 /nfs/dbraw/zinc/06/43/87/503064387.db2.gz WXOJVCCVXIWZNG-KRWDZBQOSA-N 1 3 371.447 3.112 20 0 FGADHO CC(C)[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909603 503064389 /nfs/dbraw/zinc/06/43/89/503064389.db2.gz WXOJVCCVXIWZNG-KRWDZBQOSA-N 1 3 371.447 3.112 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000501802555 503082123 /nfs/dbraw/zinc/08/21/23/503082123.db2.gz NFSCQNXBTPFRBJ-FQEVSTJZSA-N 1 3 360.546 3.242 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000501801344 503082808 /nfs/dbraw/zinc/08/28/08/503082808.db2.gz SXJGLOOCEYHYAW-FQEVSTJZSA-N 1 3 372.557 3.387 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000501871448 503097759 /nfs/dbraw/zinc/09/77/59/503097759.db2.gz MQSWZDQZDMJOKU-IBGZPJMESA-N 1 3 352.567 3.158 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000514244794 503124765 /nfs/dbraw/zinc/12/47/65/503124765.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000514244794 503124767 /nfs/dbraw/zinc/12/47/67/503124767.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 1 3 372.557 3.384 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000490195750 503128159 /nfs/dbraw/zinc/12/81/59/503128159.db2.gz CXSKXWNPZSCZTQ-FXAWDEMLSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCCC[C@H]1C ZINC000510510704 503129744 /nfs/dbraw/zinc/12/97/44/503129744.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 1 3 364.578 3.202 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCCC[C@H]1C ZINC000510510704 503129749 /nfs/dbraw/zinc/12/97/49/503129749.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 1 3 364.578 3.202 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C ZINC000498403647 503179726 /nfs/dbraw/zinc/17/97/26/503179726.db2.gz WFCOHJSGRBPFAP-GFURTYDTSA-N 1 3 372.557 3.301 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000498403647 503179729 /nfs/dbraw/zinc/17/97/29/503179729.db2.gz WFCOHJSGRBPFAP-GFURTYDTSA-N 1 3 372.557 3.301 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196557 /nfs/dbraw/zinc/19/65/57/503196557.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196562 /nfs/dbraw/zinc/19/65/62/503196562.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490863245 503238248 /nfs/dbraw/zinc/23/82/48/503238248.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490863245 503238250 /nfs/dbraw/zinc/23/82/50/503238250.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H]1CN(CCOc2ccc3ccccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491023194 503262177 /nfs/dbraw/zinc/26/21/77/503262177.db2.gz URSZMMCTIZZHTD-CVDCTZTESA-N 1 3 367.537 3.176 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295314 /nfs/dbraw/zinc/29/53/14/503295314.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295317 /nfs/dbraw/zinc/29/53/17/503295317.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO c1cnn(Cc2ccccc2CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232748 503299006 /nfs/dbraw/zinc/29/90/06/503299006.db2.gz NJNCWRJQJCXYEE-FYYLOGMGSA-N 1 3 374.488 3.277 20 0 FGADHO CCOc1cc(C[NH2+]C[C@@H](C)CN(C)C)cc(Br)c1OC ZINC000491589170 503322122 /nfs/dbraw/zinc/32/21/22/503322122.db2.gz OLAPDWNRJQGNMS-GFCCVEGCSA-N 1 3 359.308 3.144 20 0 FGADHO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(C)CC[C@H]2C)c2ccccc2)CC1 ZINC000503055757 503337634 /nfs/dbraw/zinc/33/76/34/503337634.db2.gz PIPAKZCBXKNJJH-CTNGQTDRSA-N 1 3 372.557 3.195 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247127 503415397 /nfs/dbraw/zinc/41/53/97/503415397.db2.gz KLEFNANLQGSTCG-CDNPAEQRSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247127 503415399 /nfs/dbraw/zinc/41/53/99/503415399.db2.gz KLEFNANLQGSTCG-CDNPAEQRSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C ZINC000503533343 503431601 /nfs/dbraw/zinc/43/16/01/503431601.db2.gz RNSRLNDKFFWQLC-DYESRHJHSA-N 1 3 372.557 3.160 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000503734188 503465879 /nfs/dbraw/zinc/46/58/79/503465879.db2.gz XHKMZDGWAZGXES-ICSRJNTNSA-N 1 3 372.557 3.386 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CNC/C=C\c2ccc(F)c(F)c2)c1 ZINC000512137202 503466312 /nfs/dbraw/zinc/46/63/12/503466312.db2.gz UMEMNZAMCVHVBS-XQRVVYSFSA-N 1 3 373.447 3.059 20 0 FGADHO CCCN1CCN(c2ccccc2CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000516215159 503472377 /nfs/dbraw/zinc/47/23/77/503472377.db2.gz IKKJTMUVXUXKGS-IRLDBZIGSA-N 1 3 370.585 3.277 20 0 FGADHO Fc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000582706958 506375874 /nfs/dbraw/zinc/37/58/74/506375874.db2.gz VZPVGYVWHPUGQG-CIAFKFPVSA-N 1 3 374.500 3.140 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000503994995 503507219 /nfs/dbraw/zinc/50/72/19/503507219.db2.gz UIIDZMJYVHBKKR-UHFFFAOYSA-N 1 3 374.573 3.411 20 0 FGADHO CC(C)[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCCCC1 ZINC000504188562 503536076 /nfs/dbraw/zinc/53/60/76/503536076.db2.gz NESDDHQWMYCMNG-OAQYLSRUSA-N 1 3 374.573 3.448 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565572 503538304 /nfs/dbraw/zinc/53/83/04/503538304.db2.gz MGYUWSZIVBIADB-CTNGQTDRSA-N 1 3 374.573 3.491 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508699862 503545987 /nfs/dbraw/zinc/54/59/87/503545987.db2.gz SBFQBXURBNAMSH-YYTDSSBASA-N 1 3 373.585 3.376 20 0 FGADHO CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508702257 503547093 /nfs/dbraw/zinc/54/70/93/503547093.db2.gz VZWYJLQFLBFPFO-ACIOBRDBSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702257 503547096 /nfs/dbraw/zinc/54/70/96/503547096.db2.gz VZWYJLQFLBFPFO-ACIOBRDBSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702257 503547101 /nfs/dbraw/zinc/54/71/01/503547101.db2.gz VZWYJLQFLBFPFO-ACIOBRDBSA-N 1 3 373.585 3.234 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000508903126 503595258 /nfs/dbraw/zinc/59/52/58/503595258.db2.gz FHMKEGSXVSPATK-IHPCNDPISA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000508903126 503595259 /nfs/dbraw/zinc/59/52/59/503595259.db2.gz FHMKEGSXVSPATK-IHPCNDPISA-N 1 3 360.546 3.194 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)N(C)C ZINC000508908438 503596972 /nfs/dbraw/zinc/59/69/72/503596972.db2.gz SLOFVZOENZZDTI-QUCCMNQESA-N 1 3 372.557 3.256 20 0 FGADHO FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512637201 503600844 /nfs/dbraw/zinc/60/08/44/503600844.db2.gz SMWWXZIEEAUFAU-RCCFBDPRSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512637201 503600847 /nfs/dbraw/zinc/60/08/47/503600847.db2.gz SMWWXZIEEAUFAU-RCCFBDPRSA-N 1 3 356.432 3.456 20 0 FGADHO FC(F)(F)COCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512637201 503600851 /nfs/dbraw/zinc/60/08/51/503600851.db2.gz SMWWXZIEEAUFAU-RCCFBDPRSA-N 1 3 356.432 3.456 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000517039758 503649503 /nfs/dbraw/zinc/64/95/03/503649503.db2.gz HVDYFNGJRGMHFV-UHFFFAOYSA-N 1 3 357.542 3.463 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696506 503685228 /nfs/dbraw/zinc/68/52/28/503685228.db2.gz STXITXFVOFSZIG-FQEVSTJZSA-N 1 3 356.514 3.318 20 0 FGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000540159895 503692427 /nfs/dbraw/zinc/69/24/27/503692427.db2.gz ABVGNBMTTOWAIT-NJYVYQBISA-N 1 3 358.526 3.485 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540301807 503732679 /nfs/dbraw/zinc/73/26/79/503732679.db2.gz JXDBZWNHGJZLDD-FQEVSTJZSA-N 1 3 363.933 3.323 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857411 503742221 /nfs/dbraw/zinc/74/22/21/503742221.db2.gz HWJRHARFHWNKFP-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857411 503742225 /nfs/dbraw/zinc/74/22/25/503742225.db2.gz HWJRHARFHWNKFP-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(NC(=O)C[C@@H](C)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000536857691 503742542 /nfs/dbraw/zinc/74/25/42/503742542.db2.gz KBYWLBBUOYPZEG-LJQANCHMSA-N 1 3 373.541 3.337 20 0 FGADHO C[C@@H](c1ccc(-c2cccc(C[NH+](C)C)c2)cc1)N1CCN(CCO)CC1 ZINC000527587557 503843920 /nfs/dbraw/zinc/84/39/20/503843920.db2.gz LGKLLGISDXMWJH-IBGZPJMESA-N 1 3 367.537 3.086 20 0 FGADHO CN(CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccncc1 ZINC000543713383 503862316 /nfs/dbraw/zinc/86/23/16/503862316.db2.gz BSANDKHYBQZFDM-UHFFFAOYSA-N 1 3 365.481 3.063 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527661643 503883328 /nfs/dbraw/zinc/88/33/28/503883328.db2.gz KTIFUQMSKSYXMF-NDXORKPFSA-N 1 3 355.526 3.036 20 0 FGADHO CC(=O)c1c(C)cc(C)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000530238841 503888560 /nfs/dbraw/zinc/88/85/60/503888560.db2.gz DASCGABARVTLLI-HXUWFJFHSA-N 1 3 358.526 3.405 20 0 FGADHO Fc1ccc(-c2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000530240319 503889685 /nfs/dbraw/zinc/88/96/85/503889685.db2.gz KOLNMMYYCZEJMT-SFHVURJKSA-N 1 3 359.445 3.071 20 0 FGADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676597 503891010 /nfs/dbraw/zinc/89/10/10/503891010.db2.gz UEDMCNSWCCIYLI-QZTJIDSGSA-N 1 3 372.431 3.181 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000533622394 503903984 /nfs/dbraw/zinc/90/39/84/503903984.db2.gz SZGUKLRBMRYZHG-HXUWFJFHSA-N 1 3 374.573 3.174 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000533622394 503903988 /nfs/dbraw/zinc/90/39/88/503903988.db2.gz SZGUKLRBMRYZHG-HXUWFJFHSA-N 1 3 374.573 3.174 20 0 FGADHO CN1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986798 504009628 /nfs/dbraw/zinc/00/96/28/504009628.db2.gz VISIPKMMKBLGGP-RTWAWAEBSA-N 1 3 370.541 3.092 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000534126981 504048487 /nfs/dbraw/zinc/04/84/87/504048487.db2.gz UBKZFBSNFYYJKD-JOCHJYFZSA-N 1 3 371.569 3.463 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151415 504094690 /nfs/dbraw/zinc/09/46/90/504094690.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 1 3 374.573 3.052 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528151415 504094695 /nfs/dbraw/zinc/09/46/95/504094695.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 1 3 374.573 3.052 20 0 FGADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC(=O)Nc3ccccc32)c1 ZINC000544362738 504103536 /nfs/dbraw/zinc/10/35/36/504103536.db2.gz IBAQUYNMZBIWEU-IBGZPJMESA-N 1 3 353.466 3.190 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356823 504200699 /nfs/dbraw/zinc/20/06/99/504200699.db2.gz XEBSXIABUMKZFM-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519361820 504201812 /nfs/dbraw/zinc/20/18/12/504201812.db2.gz FJNSQSRFRKEFDC-IEBWSBKVSA-N 1 3 361.505 3.028 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCN1CCC(C)CC1 ZINC000531142015 504203978 /nfs/dbraw/zinc/20/39/78/504203978.db2.gz DHUOCCMRKTXUBS-UHFFFAOYSA-N 1 3 374.481 3.440 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000519736470 504320154 /nfs/dbraw/zinc/32/01/54/504320154.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000519736470 504320158 /nfs/dbraw/zinc/32/01/58/504320158.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531683355 504391931 /nfs/dbraw/zinc/39/19/31/504391931.db2.gz IEXJHPZHVHBVPH-KGLIPLIRSA-N 1 3 369.431 3.496 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531683355 504391937 /nfs/dbraw/zinc/39/19/37/504391937.db2.gz IEXJHPZHVHBVPH-KGLIPLIRSA-N 1 3 369.431 3.496 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000531700009 504396785 /nfs/dbraw/zinc/39/67/85/504396785.db2.gz GOMQMEYYDKEXDL-HSZRJFAPSA-N 1 3 373.585 3.379 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346831 504453935 /nfs/dbraw/zinc/45/39/35/504453935.db2.gz OAMTZJKNNLJVLR-ICSRJNTNSA-N 1 3 372.557 3.243 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000531959498 504487553 /nfs/dbraw/zinc/48/75/53/504487553.db2.gz KDPRWGASKHELBX-UONOGXRCSA-N 1 3 374.392 3.435 20 0 FGADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cnccn1 ZINC000539299130 504523212 /nfs/dbraw/zinc/52/32/12/504523212.db2.gz WDKZZTJQGYKIHJ-FHWLQOOXSA-N 1 3 368.525 3.337 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499896 504591302 /nfs/dbraw/zinc/59/13/02/504591302.db2.gz MVXWTLMGRCOVLG-FGZHOGPDSA-N 1 3 371.569 3.261 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542747281 504594537 /nfs/dbraw/zinc/59/45/37/504594537.db2.gz ZIPSYKIMASEBOM-MSOLQXFVSA-N 1 3 366.594 3.259 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000542747281 504594539 /nfs/dbraw/zinc/59/45/39/504594539.db2.gz ZIPSYKIMASEBOM-MSOLQXFVSA-N 1 3 366.594 3.259 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877055 504601222 /nfs/dbraw/zinc/60/12/22/504601222.db2.gz HUKQGJLROPCPDJ-PZJWPPBQSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)C(=O)NCC[NH+](C)C ZINC000539645225 504637832 /nfs/dbraw/zinc/63/78/32/504637832.db2.gz LYFCZWQDPBCXKA-MSOLQXFVSA-N 1 3 351.922 3.009 20 0 FGADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCCc2sccc21 ZINC000539691595 504653474 /nfs/dbraw/zinc/65/34/74/504653474.db2.gz KBFAEFAIGYVCSC-MOPGFXCFSA-N 1 3 371.550 3.004 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000521181397 504672055 /nfs/dbraw/zinc/67/20/55/504672055.db2.gz SWDHCXWJLYRRSC-UHFFFAOYSA-N 1 3 371.569 3.479 20 0 FGADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549087357 504679738 /nfs/dbraw/zinc/67/97/38/504679738.db2.gz ZEWXKSSQRSZJAC-QFIPXVFZSA-N 1 3 365.521 3.185 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C)CC1 ZINC000532523739 504682225 /nfs/dbraw/zinc/68/22/25/504682225.db2.gz HRBXISMCMBQRBA-GOSISDBHSA-N 1 3 357.542 3.278 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521309026 504706335 /nfs/dbraw/zinc/70/63/35/504706335.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 1 3 352.567 3.157 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521309026 504706339 /nfs/dbraw/zinc/70/63/39/504706339.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 1 3 352.567 3.157 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486020 504746085 /nfs/dbraw/zinc/74/60/85/504746085.db2.gz HHJHZWGTKBFCRJ-PZJWPPBQSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000521486020 504746088 /nfs/dbraw/zinc/74/60/88/504746088.db2.gz HHJHZWGTKBFCRJ-PZJWPPBQSA-N 1 3 357.542 3.135 20 0 FGADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1O2 ZINC000559116547 504785663 /nfs/dbraw/zinc/78/56/63/504785663.db2.gz WQAKKSHCFKTKKY-PXNSSMCTSA-N 1 3 370.493 3.008 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076798 504791701 /nfs/dbraw/zinc/79/17/01/504791701.db2.gz RKVKDQYKUCENBD-CVEARBPZSA-N 1 3 357.473 3.217 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076798 504791705 /nfs/dbraw/zinc/79/17/05/504791705.db2.gz RKVKDQYKUCENBD-CVEARBPZSA-N 1 3 357.473 3.217 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270143 504832460 /nfs/dbraw/zinc/83/24/60/504832460.db2.gz ZVYIWHXRMUDYMG-WHCFWRGISA-N 1 3 368.525 3.102 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270143 504832464 /nfs/dbraw/zinc/83/24/64/504832464.db2.gz ZVYIWHXRMUDYMG-WHCFWRGISA-N 1 3 368.525 3.102 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326080 504835237 /nfs/dbraw/zinc/83/52/37/504835237.db2.gz BBASCWDGYMWCJP-LJQANCHMSA-N 1 3 360.567 3.400 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889343 /nfs/dbraw/zinc/88/93/43/504889343.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 1 3 359.558 3.082 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889345 /nfs/dbraw/zinc/88/93/45/504889345.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 1 3 359.558 3.082 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000553488745 504929306 /nfs/dbraw/zinc/92/93/06/504929306.db2.gz BUADTQHDYCZAFJ-UHFFFAOYSA-N 1 3 372.557 3.331 20 0 FGADHO C[C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000556832973 504988884 /nfs/dbraw/zinc/98/88/84/504988884.db2.gz NYUSEJZVEBFLCZ-FGTMMUONSA-N 1 3 366.509 3.145 20 0 FGADHO C[C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556832973 504988890 /nfs/dbraw/zinc/98/88/90/504988890.db2.gz NYUSEJZVEBFLCZ-FGTMMUONSA-N 1 3 366.509 3.145 20 0 FGADHO CN1CCN(c2cccc(Cl)c2CNC2CCC([NH+](C)C)CC2)CC1 ZINC000556870220 505001091 /nfs/dbraw/zinc/00/10/91/505001091.db2.gz DYNSJJYKXDQIFM-UHFFFAOYSA-N 1 3 364.965 3.054 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936344 505023425 /nfs/dbraw/zinc/02/34/25/505023425.db2.gz MXLUOAKSXIILRW-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO CCc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000563370377 505122788 /nfs/dbraw/zinc/12/27/88/505122788.db2.gz YXIUNMKJMYVWIT-UHFFFAOYSA-N 1 3 371.550 3.298 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000554260546 505127510 /nfs/dbraw/zinc/12/75/10/505127510.db2.gz OXRHDITWKNNYHM-IEBWSBKVSA-N 1 3 360.546 3.242 20 0 FGADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560576135 505130699 /nfs/dbraw/zinc/13/06/99/505130699.db2.gz UAKGMNAEUOYOLS-SXEONFLVSA-N 1 3 369.553 3.180 20 0 FGADHO O[C@@H](C[NH2+]Cc1csc2c1cccc2Br)CN1CCCC1 ZINC000563439290 505141540 /nfs/dbraw/zinc/14/15/40/505141540.db2.gz LACZPZSMDXGCOB-ZDUSSCGKSA-N 1 3 369.328 3.210 20 0 FGADHO Cc1nc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)[nH]c1C ZINC000563441481 505142226 /nfs/dbraw/zinc/14/22/26/505142226.db2.gz RVMAGQFPIMCSPS-UHFFFAOYSA-N 1 3 355.530 3.027 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159484 /nfs/dbraw/zinc/15/94/84/505159484.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 1 3 372.557 3.194 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159489 /nfs/dbraw/zinc/15/94/89/505159489.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 1 3 372.557 3.194 20 0 FGADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC000566396917 505163942 /nfs/dbraw/zinc/16/39/42/505163942.db2.gz RMXBPEIYJPVOHR-POHAHGRESA-N 1 3 355.526 3.014 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000566432835 505175286 /nfs/dbraw/zinc/17/52/86/505175286.db2.gz KBDURBDDTMBUFX-KRWDZBQOSA-N 1 3 373.541 3.069 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000551270526 505190323 /nfs/dbraw/zinc/19/03/23/505190323.db2.gz OEXOOIRIDKMJIW-BBTUJRGHSA-N 1 3 355.530 3.324 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537086 505246899 /nfs/dbraw/zinc/24/68/99/505246899.db2.gz LSCRRJNZWUJQJL-LEWJYISDSA-N 1 3 359.558 3.240 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)[C@H]1c1cccs1 ZINC000563955554 505288195 /nfs/dbraw/zinc/28/81/95/505288195.db2.gz KURLHIJFSBSCJB-KPFFTGBYSA-N 1 3 369.534 3.134 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNCc3ccccc32)[C@H]1c1cccs1 ZINC000563955554 505288198 /nfs/dbraw/zinc/28/81/98/505288198.db2.gz KURLHIJFSBSCJB-KPFFTGBYSA-N 1 3 369.534 3.134 20 0 FGADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551814113 505316756 /nfs/dbraw/zinc/31/67/56/505316756.db2.gz LFKVEHMXCXNXQP-MRXNPFEDSA-N 1 3 362.514 3.370 20 0 FGADHO CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccccc2C1 ZINC000558146761 505319975 /nfs/dbraw/zinc/31/99/75/505319975.db2.gz NMAHZZYLXGDHMY-QESAQDPVSA-N 1 3 369.553 3.106 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCCN2C(C)C)N(C)C)cc1 ZINC000567019500 505341252 /nfs/dbraw/zinc/34/12/52/505341252.db2.gz JCNIAJZUXKIWRC-MOPGFXCFSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC000567019500 505341255 /nfs/dbraw/zinc/34/12/55/505341255.db2.gz JCNIAJZUXKIWRC-MOPGFXCFSA-N 1 3 363.571 3.390 20 0 FGADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)N(C)C)cc1 ZINC000567019500 505341259 /nfs/dbraw/zinc/34/12/59/505341259.db2.gz JCNIAJZUXKIWRC-MOPGFXCFSA-N 1 3 363.571 3.390 20 0 FGADHO CCc1cc(CCC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000564250054 505362627 /nfs/dbraw/zinc/36/26/27/505362627.db2.gz AJIVQHDZWCGNEH-HDICACEKSA-N 1 3 363.546 3.381 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380411 505371671 /nfs/dbraw/zinc/37/16/71/505371671.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000558380411 505371673 /nfs/dbraw/zinc/37/16/73/505371673.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 1 3 372.557 3.213 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1C ZINC000564298702 505376596 /nfs/dbraw/zinc/37/65/96/505376596.db2.gz NBKGLWKKKBVZFP-QGZVFWFLSA-N 1 3 369.509 3.476 20 0 FGADHO COC(=O)c1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1C ZINC000564298702 505376600 /nfs/dbraw/zinc/37/66/00/505376600.db2.gz NBKGLWKKKBVZFP-QGZVFWFLSA-N 1 3 369.509 3.476 20 0 FGADHO C[C@H](NC1(CO)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567147511 505376977 /nfs/dbraw/zinc/37/69/77/505376977.db2.gz PHOHSQCRIHRYOO-PGRDOPGGSA-N 1 3 350.506 3.017 20 0 FGADHO C[C@H](NC1(CO)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147511 505376979 /nfs/dbraw/zinc/37/69/79/505376979.db2.gz PHOHSQCRIHRYOO-PGRDOPGGSA-N 1 3 350.506 3.017 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000558511745 505413758 /nfs/dbraw/zinc/41/37/58/505413758.db2.gz UHTFAHUNJLAXST-UHFFFAOYSA-N 1 3 354.498 3.311 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000564497834 505434231 /nfs/dbraw/zinc/43/42/31/505434231.db2.gz MXCGINHGVIBXCY-IFMALSPDSA-N 1 3 370.585 3.277 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000564505091 505436199 /nfs/dbraw/zinc/43/61/99/505436199.db2.gz NLCSJDIXXWBNSH-HXUWFJFHSA-N 1 3 360.546 3.053 20 0 FGADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552251222 505441438 /nfs/dbraw/zinc/44/14/38/505441438.db2.gz OHOAJYMMSWYNDZ-PCCBWWKXSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433578 505491175 /nfs/dbraw/zinc/49/11/75/505491175.db2.gz QJESKYWTOZATKH-OAQYLSRUSA-N 1 3 373.541 3.039 20 0 FGADHO c1cn(Cc2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642315 505522424 /nfs/dbraw/zinc/52/24/24/505522424.db2.gz GUTAMADXAYRNND-FYYLOGMGSA-N 1 3 374.488 3.277 20 0 FGADHO C[C@H](OC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000564848456 505537583 /nfs/dbraw/zinc/53/75/83/505537583.db2.gz FEQFPELSACVEPC-UDTPNQRGSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(Cl)cc1 ZINC000564848456 505537585 /nfs/dbraw/zinc/53/75/85/505537585.db2.gz FEQFPELSACVEPC-UDTPNQRGSA-N 1 3 354.922 3.241 20 0 FGADHO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000608061221 506402026 /nfs/dbraw/zinc/40/20/26/506402026.db2.gz HENCYMBJRDEGAW-WMZOPIPTSA-N 1 3 355.482 3.242 20 0 FGADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197032 506479868 /nfs/dbraw/zinc/47/98/68/506479868.db2.gz UUGGBRYYWXOMDX-GOSISDBHSA-N 1 3 362.514 3.181 20 0 FGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(I)cc1 ZINC000596651199 506512047 /nfs/dbraw/zinc/51/20/47/506512047.db2.gz BFOYLCBIXBYEPT-HUUCEWRRSA-N 1 3 358.267 3.083 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589506003 506572613 /nfs/dbraw/zinc/57/26/13/506572613.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589506003 506572617 /nfs/dbraw/zinc/57/26/17/506572617.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000583234076 506664340 /nfs/dbraw/zinc/66/43/40/506664340.db2.gz MVJFBJBWRBFIDD-CDNPAEQRSA-N 1 3 368.521 3.444 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000604073709 506703708 /nfs/dbraw/zinc/70/37/08/506703708.db2.gz IIXKPGXYDNHHEE-HXUWFJFHSA-N 1 3 372.557 3.215 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000604179044 506739229 /nfs/dbraw/zinc/73/92/29/506739229.db2.gz ANHODMGKKUNDSL-WOJBJXKFSA-N 1 3 374.573 3.189 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000604179044 506739236 /nfs/dbraw/zinc/73/92/36/506739236.db2.gz ANHODMGKKUNDSL-WOJBJXKFSA-N 1 3 374.573 3.189 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604183027 506740791 /nfs/dbraw/zinc/74/07/91/506740791.db2.gz ULRIXFXQKNVCST-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000604186112 506742168 /nfs/dbraw/zinc/74/21/68/506742168.db2.gz LWDXLMKKCUEJQT-HXUWFJFHSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000604199979 506748203 /nfs/dbraw/zinc/74/82/03/506748203.db2.gz SWKFVDIYIKVIBD-FQEVSTJZSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604199980 506748900 /nfs/dbraw/zinc/74/89/00/506748900.db2.gz SWKFVDIYIKVIBD-HXUWFJFHSA-N 1 3 370.541 3.099 20 0 FGADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000604202210 506750060 /nfs/dbraw/zinc/75/00/60/506750060.db2.gz STQOAKPNOPWYKE-SFTDATJTSA-N 1 3 370.541 3.093 20 0 FGADHO Cc1ccc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559030 506848593 /nfs/dbraw/zinc/84/85/93/506848593.db2.gz NHGKSPMAYFMSTO-BSIFCXSSSA-N 1 3 372.534 3.205 20 0 FGADHO COC(=O)C(C)(C)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000597231278 506849567 /nfs/dbraw/zinc/84/95/67/506849567.db2.gz PUGWUYLKMPCCIR-IBGZPJMESA-N 1 3 358.526 3.468 20 0 FGADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000583930222 507055197 /nfs/dbraw/zinc/05/51/97/507055197.db2.gz UUNHLPCPUFYYFB-IFMALSPDSA-N 1 3 358.526 3.048 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861705 507150739 /nfs/dbraw/zinc/15/07/39/507150739.db2.gz OIJXJNNXFNPMRE-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000600901448 507171374 /nfs/dbraw/zinc/17/13/74/507171374.db2.gz GHZKCBXOMJGDPW-OAQYLSRUSA-N 1 3 372.557 3.216 20 0 FGADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645417 /nfs/dbraw/zinc/64/54/17/507645417.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645418 /nfs/dbraw/zinc/64/54/18/507645418.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000607231425 507662768 /nfs/dbraw/zinc/66/27/68/507662768.db2.gz RXGLVBMWJRBLCR-PMACEKPBSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935390 608501491 /nfs/dbraw/zinc/50/14/91/608501491.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935390 608501493 /nfs/dbraw/zinc/50/14/93/608501493.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935390 608501495 /nfs/dbraw/zinc/50/14/95/608501495.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935390 608501497 /nfs/dbraw/zinc/50/14/97/608501497.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945772 608501655 /nfs/dbraw/zinc/50/16/55/608501655.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945772 608501656 /nfs/dbraw/zinc/50/16/56/608501656.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945772 608501657 /nfs/dbraw/zinc/50/16/57/608501657.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945772 608501658 /nfs/dbraw/zinc/50/16/58/608501658.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 1 3 368.529 3.346 20 0 FGADHO CC(C)OC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000089626646 700392425 /nfs/dbraw/zinc/39/24/25/700392425.db2.gz YDZPPQXQDOKYOU-UHFFFAOYSA-N 1 3 351.535 3.383 20 0 FGADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429385 705344058 /nfs/dbraw/zinc/34/40/58/705344058.db2.gz QTPPFBGQMSWFLZ-DLBZAZTESA-N 1 3 351.535 3.430 20 0 FGADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429385 705344065 /nfs/dbraw/zinc/34/40/65/705344065.db2.gz QTPPFBGQMSWFLZ-DLBZAZTESA-N 1 3 351.535 3.430 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180206417 705732146 /nfs/dbraw/zinc/73/21/46/705732146.db2.gz FETORUJUQIYBKW-KZNAEPCWSA-N 1 3 353.551 3.391 20 0 FGADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000641805851 717931241 /nfs/dbraw/zinc/93/12/41/717931241.db2.gz OWSZCINGWVJHGX-LMMKCTJWSA-N 1 3 357.523 3.059 20 0 FGADHO CCC[NH+]1CCC(N2CCN(CCCCC3CCOCC3)CC2)CC1 ZINC000374151394 713902093 /nfs/dbraw/zinc/90/20/93/713902093.db2.gz NQRHFOWKBURMMF-UHFFFAOYSA-N 1 3 351.579 3.075 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000385405787 713983067 /nfs/dbraw/zinc/98/30/67/713983067.db2.gz AEQMXHISTGOOJN-VSZNYVQBSA-N 1 3 351.535 3.429 20 0 FGADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000385405787 713983068 /nfs/dbraw/zinc/98/30/68/713983068.db2.gz AEQMXHISTGOOJN-VSZNYVQBSA-N 1 3 351.535 3.429 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579931718 714500734 /nfs/dbraw/zinc/50/07/34/714500734.db2.gz MTGCQZGSWIQRSP-HZSPNIEDSA-N 1 3 357.420 3.400 20 0 FGADHO CN1CCCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657036 715380759 /nfs/dbraw/zinc/38/07/59/715380759.db2.gz IOLXOQPCJPUXAU-MRXNPFEDSA-N 1 3 363.933 3.266 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000624122861 715477480 /nfs/dbraw/zinc/47/74/80/715477480.db2.gz AEOALGZYLCYTKN-DOTOQJQBSA-N 1 3 350.503 3.485 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626040507 715834576 /nfs/dbraw/zinc/83/45/76/715834576.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 1 3 367.331 3.082 20 0 FGADHO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626040507 715834582 /nfs/dbraw/zinc/83/45/82/715834582.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 1 3 367.331 3.082 20 0 FGADHO C[NH2+]CCOCCN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000629530989 716304173 /nfs/dbraw/zinc/30/41/73/716304173.db2.gz WVMOFSHINYJAOG-HNNXBMFYSA-N 1 3 361.711 3.379 20 0 FGADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cccc(C(F)(F)F)c1 ZINC000647814776 718379462 /nfs/dbraw/zinc/37/94/62/718379462.db2.gz FNWVROKEPIOHES-UHFFFAOYSA-N 1 3 355.404 3.250 20 0 FGADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cccc(C(F)(F)F)c1 ZINC000647814776 718379463 /nfs/dbraw/zinc/37/94/63/718379463.db2.gz FNWVROKEPIOHES-UHFFFAOYSA-N 1 3 355.404 3.250 20 0 FGADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cccc(C(F)(F)F)c1 ZINC000647814776 718379464 /nfs/dbraw/zinc/37/94/64/718379464.db2.gz FNWVROKEPIOHES-UHFFFAOYSA-N 1 3 355.404 3.250 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707720 718717741 /nfs/dbraw/zinc/71/77/41/718717741.db2.gz LTKMHAQGUFNNOF-XYJFISCASA-N 1 3 367.331 3.476 20 0 FGADHO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc(CN2CCCC2)cn1 ZINC001164413694 718880872 /nfs/dbraw/zinc/88/08/72/718880872.db2.gz KQTJTDVINKUTLE-INIZCTEOSA-N 1 3 368.447 3.331 20 0 FGADHO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001164623030 719047739 /nfs/dbraw/zinc/04/77/39/719047739.db2.gz LMRHSSLVHSEYHG-FYYLOGMGSA-N 1 3 362.521 3.261 20 0 FGADHO CO[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731937 719331239 /nfs/dbraw/zinc/33/12/39/719331239.db2.gz WNDJBIHJUGZDKI-MOPGFXCFSA-N 1 3 352.906 3.261 20 0 FGADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000658107164 719757665 /nfs/dbraw/zinc/75/76/65/719757665.db2.gz KSYBPUWWPNOQAZ-LSDHHAIUSA-N 1 3 365.953 3.149 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658113948 719759068 /nfs/dbraw/zinc/75/90/68/719759068.db2.gz IQCRATHKAYUNBX-FFZBTMFNSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113509 719759181 /nfs/dbraw/zinc/75/91/81/719759181.db2.gz GYZRMZJLZULGEV-VXCLMFOKSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658113509 719759187 /nfs/dbraw/zinc/75/91/87/719759187.db2.gz GYZRMZJLZULGEV-VXCLMFOKSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H](C[N@@H+](C)[C@@H]1CCCN(C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993506 /nfs/dbraw/zinc/99/35/06/719993506.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993508 /nfs/dbraw/zinc/99/35/08/719993508.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](CN(C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993509 /nfs/dbraw/zinc/99/35/09/719993509.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 1 3 352.563 3.403 20 0 FGADHO CO[C@@H](CN(C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993511 /nfs/dbraw/zinc/99/35/11/719993511.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 1 3 352.563 3.403 20 0 FGADHO C[C@H]1CN(CCSc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660153730 719998310 /nfs/dbraw/zinc/99/83/10/719998310.db2.gz HEMAKDPUEBPUKJ-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000660153730 719998313 /nfs/dbraw/zinc/99/83/13/719998313.db2.gz HEMAKDPUEBPUKJ-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000660153730 719998316 /nfs/dbraw/zinc/99/83/16/719998316.db2.gz HEMAKDPUEBPUKJ-QFBILLFUSA-N 1 3 367.990 3.390 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294215 720410988 /nfs/dbraw/zinc/41/09/88/720410988.db2.gz CBBSOAQLHJLIQN-YJBOKZPZSA-N 1 3 363.933 3.229 20 0 FGADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662312993 720414235 /nfs/dbraw/zinc/41/42/35/720414235.db2.gz DXQUVPRNRBDPGK-CZUORRHYSA-N 1 3 355.429 3.066 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554066 720784641 /nfs/dbraw/zinc/78/46/41/720784641.db2.gz FFMJEZXRDYNJCX-IAGOWNOFSA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554066 720784648 /nfs/dbraw/zinc/78/46/48/720784648.db2.gz FFMJEZXRDYNJCX-IAGOWNOFSA-N 1 3 366.937 3.115 20 0 FGADHO CCSc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666077893 720885254 /nfs/dbraw/zinc/88/52/54/720885254.db2.gz MMYHBSQRFOCFBB-HNNXBMFYSA-N 1 3 352.548 3.192 20 0 FGADHO CCSc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666077893 720885262 /nfs/dbraw/zinc/88/52/62/720885262.db2.gz MMYHBSQRFOCFBB-HNNXBMFYSA-N 1 3 352.548 3.192 20 0 FGADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C3CSC3)CC2)c1 ZINC000679625308 722037002 /nfs/dbraw/zinc/03/70/02/722037002.db2.gz RDNAZOYTDROLLD-UHFFFAOYSA-N 1 3 373.488 3.313 20 0 FGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817949548 727289178 /nfs/dbraw/zinc/28/91/78/727289178.db2.gz RDJJJJYCELIKEQ-ZDUSSCGKSA-N 1 3 368.449 3.035 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574113 729431978 /nfs/dbraw/zinc/43/19/78/729431978.db2.gz YAZLRDCONWFZEG-CZUORRHYSA-N 1 3 366.937 3.060 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574113 729431979 /nfs/dbraw/zinc/43/19/79/729431979.db2.gz YAZLRDCONWFZEG-CZUORRHYSA-N 1 3 366.937 3.060 20 0 FGADHO C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000850535516 731370618 /nfs/dbraw/zinc/37/06/18/731370618.db2.gz YYEYDBPQQOAQID-OLMNPRSZSA-N 1 3 354.441 3.092 20 0 FGADHO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853084189 731662272 /nfs/dbraw/zinc/66/22/72/731662272.db2.gz AXXUQMXKUFEAEY-KRWDZBQOSA-N 1 3 351.535 3.098 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000859962275 732424729 /nfs/dbraw/zinc/42/47/29/732424729.db2.gz NJYKEXQDOUGRDS-QGPMSJSTSA-N 1 3 367.331 3.084 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000862408865 732827725 /nfs/dbraw/zinc/82/77/25/732827725.db2.gz JWQHQWQRUSGNKO-KBPBESRZSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000862408865 732827730 /nfs/dbraw/zinc/82/77/30/732827730.db2.gz JWQHQWQRUSGNKO-KBPBESRZSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N[C@H](CNC1CC[NH+](C(C)(C)C)CC1)CC(F)F ZINC000865419704 733196004 /nfs/dbraw/zinc/19/60/04/733196004.db2.gz YBICJYNVTBWHKI-AWEZNQCLSA-N 1 3 363.493 3.387 20 0 FGADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)F ZINC000865419704 733196011 /nfs/dbraw/zinc/19/60/11/733196011.db2.gz YBICJYNVTBWHKI-AWEZNQCLSA-N 1 3 363.493 3.387 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183726 733568926 /nfs/dbraw/zinc/56/89/26/733568926.db2.gz RSYZSLLFVSTSHZ-ZWKOTPCHSA-N 1 3 358.511 3.158 20 0 FGADHO CCN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(C(=O)N(C)C)cc1 ZINC000873208855 735738637 /nfs/dbraw/zinc/73/86/37/735738637.db2.gz WBLIAEDUNCLQOI-UHFFFAOYSA-N 1 3 357.523 3.118 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([NH3+])(CC)CC1)c1ccsc1 ZINC000891349957 739894936 /nfs/dbraw/zinc/89/49/36/739894936.db2.gz YMMJDWXDQSYVOZ-MRXNPFEDSA-N 1 3 352.548 3.044 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892465743 740003757 /nfs/dbraw/zinc/00/37/57/740003757.db2.gz GJYCVJFVUDJWTN-RTBURBONSA-N 1 3 350.478 3.252 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C[C@H]1C(F)(F)F ZINC000892622445 740024224 /nfs/dbraw/zinc/02/42/24/740024224.db2.gz PZZRVGGRVDMLST-QKPAOTATSA-N 1 3 364.452 3.218 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130990 743995146 /nfs/dbraw/zinc/99/51/46/743995146.db2.gz BJXVRTRHIACXNV-LMMKCTJWSA-N 1 3 366.571 3.167 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130990 743995148 /nfs/dbraw/zinc/99/51/48/743995148.db2.gz BJXVRTRHIACXNV-LMMKCTJWSA-N 1 3 366.571 3.167 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387784 758910332 /nfs/dbraw/zinc/91/03/32/758910332.db2.gz AZHWGYVNEZNSNR-XOUADPBQSA-N 1 3 362.461 3.336 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387784 758910337 /nfs/dbraw/zinc/91/03/37/758910337.db2.gz AZHWGYVNEZNSNR-XOUADPBQSA-N 1 3 362.461 3.336 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391535 758911811 /nfs/dbraw/zinc/91/18/11/758911811.db2.gz WIYVYWQAORYLRH-JOCBIADPSA-N 1 3 372.340 3.145 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391535 758911817 /nfs/dbraw/zinc/91/18/17/758911817.db2.gz WIYVYWQAORYLRH-JOCBIADPSA-N 1 3 372.340 3.145 20 0 FGADHO C[NH+]1CCC(O)(CN[C@@H](Cc2ccc(F)cc2Cl)c2ccco2)CC1 ZINC000925118476 759450530 /nfs/dbraw/zinc/45/05/30/759450530.db2.gz SFBJCARPRMQRNK-KRWDZBQOSA-N 1 3 366.864 3.402 20 0 FGADHO CN1CC[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629018 759515039 /nfs/dbraw/zinc/51/50/39/759515039.db2.gz JQWDQDZVIZCURR-RNJTYBCJSA-N 1 3 351.897 3.331 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc2ccc(Br)cc2c1 ZINC000925732474 759527260 /nfs/dbraw/zinc/52/72/60/759527260.db2.gz BRPBPWKAVVYAII-RZAIGCCYSA-N 1 3 363.299 3.444 20 0 FGADHO CC(C)[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1F ZINC000925856369 759560193 /nfs/dbraw/zinc/56/01/93/759560193.db2.gz NNROULCSXNGHAO-PBHICJAKSA-N 1 3 368.880 3.451 20 0 FGADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1 ZINC000925855490 759560887 /nfs/dbraw/zinc/56/08/87/759560887.db2.gz OGMRBZCKNPZCBT-DGCLKSJQSA-N 1 3 357.281 3.329 20 0 FGADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1C(F)(F)F ZINC000925858195 759561765 /nfs/dbraw/zinc/56/17/65/759561765.db2.gz UGSHVUZBRTYEIK-QWHCGFSZSA-N 1 3 356.388 3.041 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001018872699 765847469 /nfs/dbraw/zinc/84/74/69/765847469.db2.gz GIQWFLVVFXNFTK-JENIJYKNSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001018872699 765847475 /nfs/dbraw/zinc/84/74/75/765847475.db2.gz GIQWFLVVFXNFTK-JENIJYKNSA-N 1 3 363.933 3.069 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033836835 766223711 /nfs/dbraw/zinc/22/37/11/766223711.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001033836835 766223715 /nfs/dbraw/zinc/22/37/15/766223715.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 1 3 363.571 3.128 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630305 223121407 /nfs/dbraw/zinc/12/14/07/223121407.db2.gz JFDOLJWSLMVYCJ-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)C1 ZINC000328630305 223121409 /nfs/dbraw/zinc/12/14/09/223121409.db2.gz JFDOLJWSLMVYCJ-RDPOXOKHSA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000567940457 505580100 /nfs/dbraw/zinc/58/01/00/505580100.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000567940457 505580104 /nfs/dbraw/zinc/58/01/04/505580104.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 1 3 357.542 3.278 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)N(C)C)cc1 ZINC000579608383 505586659 /nfs/dbraw/zinc/58/66/59/505586659.db2.gz SCHFRTWMQSMZPI-JOCHJYFZSA-N 1 3 367.537 3.386 20 0 FGADHO Fc1ccc(-c2nc(CN3CCN(CC[C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000567990325 505591049 /nfs/dbraw/zinc/59/10/49/505591049.db2.gz SWHNHOFMEPBIPQ-INIZCTEOSA-N 1 3 374.529 3.066 20 0 FGADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788471 505621282 /nfs/dbraw/zinc/62/12/82/505621282.db2.gz XAWJLMKKLGAGHI-ACDBMABISA-N 1 3 364.493 3.195 20 0 FGADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788471 505621287 /nfs/dbraw/zinc/62/12/87/505621287.db2.gz XAWJLMKKLGAGHI-ACDBMABISA-N 1 3 364.493 3.195 20 0 FGADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573839713 505632959 /nfs/dbraw/zinc/63/29/59/505632959.db2.gz GLBJAZWKCIYHFN-MJGOQNOKSA-N 1 3 361.555 3.124 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000568200869 505642087 /nfs/dbraw/zinc/64/20/87/505642087.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200869 505642090 /nfs/dbraw/zinc/64/20/90/505642090.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 1 3 357.542 3.230 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024606 505663854 /nfs/dbraw/zinc/66/38/54/505663854.db2.gz FHOQYVBWOTVHCV-QLFBSQMISA-N 1 3 370.335 3.384 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccsc1 ZINC000076057481 493814820 /nfs/dbraw/zinc/81/48/20/493814820.db2.gz ONDGEVPCSGPAQY-SFHVURJKSA-N 1 3 366.575 3.257 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccsc1 ZINC000076057481 493814821 /nfs/dbraw/zinc/81/48/21/493814821.db2.gz ONDGEVPCSGPAQY-SFHVURJKSA-N 1 3 366.575 3.257 20 0 FGADHO CC(C)Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802628 493935470 /nfs/dbraw/zinc/93/54/70/493935470.db2.gz NLBRMXJITMUVQR-UHFFFAOYSA-N 1 3 357.542 3.174 20 0 FGADHO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000050800518 493935599 /nfs/dbraw/zinc/93/55/99/493935599.db2.gz ZAXFMXCSOSKSFD-UZLBHIALSA-N 1 3 373.541 3.010 20 0 FGADHO CC(C)(CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000061185718 493968244 /nfs/dbraw/zinc/96/82/44/493968244.db2.gz IUYAZSOXWRRETO-HXUWFJFHSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000069620537 493989271 /nfs/dbraw/zinc/98/92/71/493989271.db2.gz GBYWURLCWFDMMO-FQEVSTJZSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000069620537 493989274 /nfs/dbraw/zinc/98/92/74/493989274.db2.gz GBYWURLCWFDMMO-FQEVSTJZSA-N 1 3 372.557 3.339 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644495 494108390 /nfs/dbraw/zinc/10/83/90/494108390.db2.gz OKLKXVMMDSEPOW-QWHCGFSZSA-N 1 3 358.267 3.284 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000043146716 494270406 /nfs/dbraw/zinc/27/04/06/494270406.db2.gz FKTAVEYHXOIHHG-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000072884104 494275450 /nfs/dbraw/zinc/27/54/50/494275450.db2.gz IHQKVNWBQJCYHM-JOCHJYFZSA-N 1 3 371.569 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523121 494313263 /nfs/dbraw/zinc/31/32/63/494313263.db2.gz SSCZEDVZGLAYOW-AZUAARDMSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000078523121 494313267 /nfs/dbraw/zinc/31/32/67/494313267.db2.gz SSCZEDVZGLAYOW-AZUAARDMSA-N 1 3 360.546 3.017 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073437399 494371032 /nfs/dbraw/zinc/37/10/32/494371032.db2.gz CUDZEBFMOYYPBP-AEFFLSMTSA-N 1 3 366.575 3.162 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000078953798 494383020 /nfs/dbraw/zinc/38/30/20/494383020.db2.gz CQXAZNGZQPVTSJ-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382550 505717740 /nfs/dbraw/zinc/71/77/40/505717740.db2.gz XCLMIKOSFVFIDF-SFTDATJTSA-N 1 3 350.510 3.394 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387993 505718547 /nfs/dbraw/zinc/71/85/47/505718547.db2.gz ZJMSRQUSKPZUSR-FPOVZHCZSA-N 1 3 369.484 3.067 20 0 FGADHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000577387993 505718549 /nfs/dbraw/zinc/71/85/49/505718549.db2.gz ZJMSRQUSKPZUSR-FPOVZHCZSA-N 1 3 369.484 3.067 20 0 FGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038680 494431655 /nfs/dbraw/zinc/43/16/55/494431655.db2.gz BFCDFMLTWYQHHJ-KRWDZBQOSA-N 1 3 371.500 3.228 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819634 494433838 /nfs/dbraw/zinc/43/38/38/494433838.db2.gz HNCILGIWFXBYBL-RXVVDRJESA-N 1 3 372.557 3.243 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000090231268 494457678 /nfs/dbraw/zinc/45/76/78/494457678.db2.gz LTYNEIOABBYLPT-UHFFFAOYSA-N 1 3 362.514 3.469 20 0 FGADHO COc1cc(OC)cc(OCCCNC2CC[NH+](C3CCCC3)CC2)c1 ZINC000090231268 494457680 /nfs/dbraw/zinc/45/76/80/494457680.db2.gz LTYNEIOABBYLPT-UHFFFAOYSA-N 1 3 362.514 3.469 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000067062773 494466733 /nfs/dbraw/zinc/46/67/33/494466733.db2.gz BVPHSVMTZUOJCY-UHFFFAOYSA-N 1 3 360.546 3.012 20 0 FGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523959 494478500 /nfs/dbraw/zinc/47/85/00/494478500.db2.gz UABMWBCCMGLZKI-WTNAPCKOSA-N 1 3 368.525 3.291 20 0 FGADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090526656 494479112 /nfs/dbraw/zinc/47/91/12/494479112.db2.gz FNMUMJZCLYIMFE-NJAFHUGGSA-N 1 3 363.571 3.440 20 0 FGADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+]1CCCCC1 ZINC000074225711 494501281 /nfs/dbraw/zinc/50/12/81/494501281.db2.gz WBQKNIHEHWRNCX-MRXNPFEDSA-N 1 3 357.498 3.346 20 0 FGADHO CCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067452992 494544660 /nfs/dbraw/zinc/54/46/60/494544660.db2.gz SMNSKMGIIRXQBE-CALCHBBNSA-N 1 3 350.503 3.073 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080055182 494578156 /nfs/dbraw/zinc/57/81/56/494578156.db2.gz VGTNIQBDYATOSI-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169607 494665416 /nfs/dbraw/zinc/66/54/16/494665416.db2.gz OLPYDPQKEGFOGG-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169607 494665420 /nfs/dbraw/zinc/66/54/20/494665420.db2.gz OLPYDPQKEGFOGG-QFIPXVFZSA-N 1 3 365.521 3.277 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121266998 494674020 /nfs/dbraw/zinc/67/40/20/494674020.db2.gz IKJZTFDFVYPRCJ-NRSPTQNISA-N 1 3 358.526 3.454 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116435815 494786385 /nfs/dbraw/zinc/78/63/85/494786385.db2.gz IUKUHMVHINWLTH-SFHVURJKSA-N 1 3 372.557 3.384 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000047883510 494788351 /nfs/dbraw/zinc/78/83/51/494788351.db2.gz WQJUBHRAZLTLMO-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO COc1ccc([C@H](C)NCc2ccc(CN3CCN(C)CC3)cc2)cc1F ZINC000126672751 494815686 /nfs/dbraw/zinc/81/56/86/494815686.db2.gz WQCJYCHOOGZIEF-KRWDZBQOSA-N 1 3 371.500 3.433 20 0 FGADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1F ZINC000126672751 494815689 /nfs/dbraw/zinc/81/56/89/494815689.db2.gz WQCJYCHOOGZIEF-KRWDZBQOSA-N 1 3 371.500 3.433 20 0 FGADHO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126686617 494819975 /nfs/dbraw/zinc/81/99/75/494819975.db2.gz XDGLQICBPVKUCK-GOSISDBHSA-N 1 3 353.510 3.293 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CCN(C2CC2)CC1 ZINC000027367019 494865190 /nfs/dbraw/zinc/86/51/90/494865190.db2.gz VLKKKMMNSRXJCQ-UHFFFAOYSA-N 1 3 370.541 3.099 20 0 FGADHO CN(C)[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876308 494936327 /nfs/dbraw/zinc/93/63/27/494936327.db2.gz VTODGBCSBFIJQR-XMMPIXPASA-N 1 3 365.565 3.456 20 0 FGADHO CN(C)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000132876308 494936330 /nfs/dbraw/zinc/93/63/30/494936330.db2.gz VTODGBCSBFIJQR-XMMPIXPASA-N 1 3 365.565 3.456 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000122446405 494976401 /nfs/dbraw/zinc/97/64/01/494976401.db2.gz QOLFCFJOUMUEFC-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000122446405 494976405 /nfs/dbraw/zinc/97/64/05/494976405.db2.gz QOLFCFJOUMUEFC-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110614038 494994260 /nfs/dbraw/zinc/99/42/60/494994260.db2.gz NSHFHILSUMXJRC-GOSISDBHSA-N 1 3 369.553 3.073 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191348 495058979 /nfs/dbraw/zinc/05/89/79/495058979.db2.gz MRIAFPLPSYOYEV-OLZOCXBDSA-N 1 3 358.313 3.231 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000102005297 495114733 /nfs/dbraw/zinc/11/47/33/495114733.db2.gz DUVPYIPIKHFCNL-HXUWFJFHSA-N 1 3 360.546 3.161 20 0 FGADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123477429 495138161 /nfs/dbraw/zinc/13/81/61/495138161.db2.gz QRXMXBVCNYFJIT-IBGZPJMESA-N 1 3 359.558 3.096 20 0 FGADHO C[C@H]1CN(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454337 495170043 /nfs/dbraw/zinc/17/00/43/495170043.db2.gz KRAFYAWRMAKVCL-ROUUACIJSA-N 1 3 351.579 3.261 20 0 FGADHO C[C@H]1CN(C(C)(C)C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119454337 495170046 /nfs/dbraw/zinc/17/00/46/495170046.db2.gz KRAFYAWRMAKVCL-ROUUACIJSA-N 1 3 351.579 3.261 20 0 FGADHO C[C@@H]1CN(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000119454477 495170299 /nfs/dbraw/zinc/17/02/99/495170299.db2.gz KRAFYAWRMAKVCL-QZTJIDSGSA-N 1 3 351.579 3.261 20 0 FGADHO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000119454477 495170302 /nfs/dbraw/zinc/17/03/02/495170302.db2.gz KRAFYAWRMAKVCL-QZTJIDSGSA-N 1 3 351.579 3.261 20 0 FGADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000119666483 495213455 /nfs/dbraw/zinc/21/34/55/495213455.db2.gz JRFLGPBWJWQDOW-INIZCTEOSA-N 1 3 354.498 3.277 20 0 FGADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCCN1CCCCC1 ZINC000120085675 495304528 /nfs/dbraw/zinc/30/45/28/495304528.db2.gz KCBFQWORLNIAEU-SFHVURJKSA-N 1 3 352.544 3.095 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000113586114 495317712 /nfs/dbraw/zinc/31/77/12/495317712.db2.gz POXBUZHEERWOCZ-INIZCTEOSA-N 1 3 358.530 3.042 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083257 495335182 /nfs/dbraw/zinc/33/51/82/495335182.db2.gz LVMMHAKGRMHYQY-FPOVZHCZSA-N 1 3 374.573 3.271 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000105083257 495335186 /nfs/dbraw/zinc/33/51/86/495335186.db2.gz LVMMHAKGRMHYQY-FPOVZHCZSA-N 1 3 374.573 3.271 20 0 FGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000580533176 505781103 /nfs/dbraw/zinc/78/11/03/505781103.db2.gz NMMNFWSVSXSCMG-FQEVSTJZSA-N 1 3 368.525 3.355 20 0 FGADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000580533176 505781104 /nfs/dbraw/zinc/78/11/04/505781104.db2.gz NMMNFWSVSXSCMG-FQEVSTJZSA-N 1 3 368.525 3.355 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)c1cnn(C)c1 ZINC000125324050 495425803 /nfs/dbraw/zinc/42/58/03/495425803.db2.gz YAZVYZSDZUXWDP-JOCHJYFZSA-N 1 3 369.557 3.372 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000125432196 495443418 /nfs/dbraw/zinc/44/34/18/495443418.db2.gz VZIHFVJXHJGCLG-SFHVURJKSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000125432196 495443423 /nfs/dbraw/zinc/44/34/23/495443423.db2.gz VZIHFVJXHJGCLG-SFHVURJKSA-N 1 3 355.526 3.371 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000131127829 495495816 /nfs/dbraw/zinc/49/58/16/495495816.db2.gz RFGBDQBUTSTUGF-CQSZACIVSA-N 1 3 372.326 3.266 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000141379749 495506209 /nfs/dbraw/zinc/50/62/09/495506209.db2.gz BBXCJBCACLJUOH-GOSISDBHSA-N 1 3 360.546 3.058 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000141379749 495506213 /nfs/dbraw/zinc/50/62/13/495506213.db2.gz BBXCJBCACLJUOH-GOSISDBHSA-N 1 3 360.546 3.058 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC000131247156 495511858 /nfs/dbraw/zinc/51/18/58/495511858.db2.gz RRHVKWRBSZKEAU-WOZUAGRISA-N 1 3 353.595 3.224 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279709 495566790 /nfs/dbraw/zinc/56/67/90/495566790.db2.gz GWEKSUDOLUTFHP-CXTNEJHOSA-N 1 3 361.313 3.051 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279709 495566794 /nfs/dbraw/zinc/56/67/94/495566794.db2.gz GWEKSUDOLUTFHP-CXTNEJHOSA-N 1 3 361.313 3.051 20 0 FGADHO CN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154379661 495599156 /nfs/dbraw/zinc/59/91/56/495599156.db2.gz KFVZSHFENVZUHH-QGZVFWFLSA-N 1 3 353.963 3.494 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150060228 495605218 /nfs/dbraw/zinc/60/52/18/495605218.db2.gz CSCHILHDPIHUEY-UHFFFAOYSA-N 1 3 374.573 3.128 20 0 FGADHO CCCC[C@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814288 495612009 /nfs/dbraw/zinc/61/20/09/495612009.db2.gz BKZZVITVIFTYBP-FXAWDEMLSA-N 1 3 364.578 3.203 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448266 495619294 /nfs/dbraw/zinc/61/92/94/495619294.db2.gz KSUIBSBJEYRNDO-GOSISDBHSA-N 1 3 351.535 3.370 20 0 FGADHO CN(c1ccccc1CNC[C@@H](O)c1ccsc1)C1CC[NH+](C)CC1 ZINC000150965625 495696870 /nfs/dbraw/zinc/69/68/70/495696870.db2.gz SGCPOAYVSNARDM-HXUWFJFHSA-N 1 3 359.539 3.102 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000171056928 495705252 /nfs/dbraw/zinc/70/52/52/495705252.db2.gz GNFPLPWANKVZOG-NHCUHLMSSA-N 1 3 370.541 3.012 20 0 FGADHO COc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185755536 495712278 /nfs/dbraw/zinc/71/22/78/495712278.db2.gz MXLINANZBFGRMP-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755536 495712285 /nfs/dbraw/zinc/71/22/85/495712285.db2.gz MXLINANZBFGRMP-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000185755536 495712291 /nfs/dbraw/zinc/71/22/91/495712291.db2.gz MXLINANZBFGRMP-IAGOWNOFSA-N 1 3 359.514 3.266 20 0 FGADHO C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151034728 495717825 /nfs/dbraw/zinc/71/78/25/495717825.db2.gz CSFJNBXHVCSRMT-SFHVURJKSA-N 1 3 368.525 3.473 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858548 495722024 /nfs/dbraw/zinc/72/20/24/495722024.db2.gz GXPIOQBGIPUPAH-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858548 495722029 /nfs/dbraw/zinc/72/20/29/495722029.db2.gz GXPIOQBGIPUPAH-CTNGQTDRSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)sc1Br ZINC000577834796 505800601 /nfs/dbraw/zinc/80/06/01/505800601.db2.gz YRGYBUYCODRHAU-CQSZACIVSA-N 1 3 374.392 3.497 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742084 /nfs/dbraw/zinc/74/20/84/495742084.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742087 /nfs/dbraw/zinc/74/20/87/495742087.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742090 /nfs/dbraw/zinc/74/20/90/495742090.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742091 /nfs/dbraw/zinc/74/20/91/495742091.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 1 3 365.521 3.429 20 0 FGADHO COCC1=CCN(Cc2ccccc2C[N@H+]2CC=C(COC)CC2)CC1 ZINC000185862531 495753843 /nfs/dbraw/zinc/75/38/43/495753843.db2.gz DIAQCYIQKGPKGL-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO COCC1=CCN(Cc2ccccc2C[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185862531 495753852 /nfs/dbraw/zinc/75/38/52/495753852.db2.gz DIAQCYIQKGPKGL-UHFFFAOYSA-N 1 3 356.510 3.244 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045810 495812277 /nfs/dbraw/zinc/81/22/77/495812277.db2.gz ORHVQQZKZVXUNP-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135861 495849105 /nfs/dbraw/zinc/84/91/05/495849105.db2.gz IFWTZSLJNIIYLZ-BHIFYINESA-N 1 3 352.526 3.243 20 0 FGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000174267532 495888218 /nfs/dbraw/zinc/88/82/18/495888218.db2.gz XDQAGPLHJDVXRS-UHFFFAOYSA-N 1 3 367.537 3.479 20 0 FGADHO CCC[NH+]1CCC(N(C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000177052365 495903129 /nfs/dbraw/zinc/90/31/29/495903129.db2.gz LPGJDLABGQGORH-OAQYLSRUSA-N 1 3 357.542 3.377 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@@H](C)O1 ZINC000174414028 495948299 /nfs/dbraw/zinc/94/82/99/495948299.db2.gz VZYWLPHKXLZECP-QZTJIDSGSA-N 1 3 370.497 3.248 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000177181145 495963229 /nfs/dbraw/zinc/96/32/29/495963229.db2.gz SPFIRWAUIHVUHM-GHTZIAJQSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000180378772 495972627 /nfs/dbraw/zinc/97/26/27/495972627.db2.gz QMDBUBXOHUBVFX-GOSISDBHSA-N 1 3 368.525 3.068 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000174468543 495973443 /nfs/dbraw/zinc/97/34/43/495973443.db2.gz KZASVHWUGLJGDY-HKUYNNGSSA-N 1 3 357.542 3.196 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000174480877 495977608 /nfs/dbraw/zinc/97/76/08/495977608.db2.gz HCIRGHFFAGRKNX-DENIHFKCSA-N 1 3 371.569 3.130 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000174480877 495977612 /nfs/dbraw/zinc/97/76/12/495977612.db2.gz HCIRGHFFAGRKNX-DENIHFKCSA-N 1 3 371.569 3.130 20 0 FGADHO COc1cccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000177233327 495987186 /nfs/dbraw/zinc/98/71/86/495987186.db2.gz IALNFOHUMFITSH-SFHVURJKSA-N 1 3 353.510 3.293 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000155546315 495990158 /nfs/dbraw/zinc/99/01/58/495990158.db2.gz GXBPUCGMYJMULO-UHFFFAOYSA-N 1 3 351.494 3.143 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000151962038 496005450 /nfs/dbraw/zinc/00/54/50/496005450.db2.gz SESBVYPFEHLTJK-HXUWFJFHSA-N 1 3 369.509 3.180 20 0 FGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1OCC ZINC000155743143 496053705 /nfs/dbraw/zinc/05/37/05/496053705.db2.gz BJVWSGILPDQWRB-ZWKOTPCHSA-N 1 3 363.546 3.161 20 0 FGADHO Cc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838600 496131560 /nfs/dbraw/zinc/13/15/60/496131560.db2.gz DYKYPCJYGJYYGY-ULQDDVLXSA-N 1 3 374.529 3.085 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889094 496151244 /nfs/dbraw/zinc/15/12/44/496151244.db2.gz FFUIKDPLJVZFBU-UGKGYDQZSA-N 1 3 371.569 3.491 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000174890213 496151399 /nfs/dbraw/zinc/15/13/99/496151399.db2.gz MQRHAANAFPMQIF-RBUKOAKNSA-N 1 3 374.573 3.489 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000174890213 496151405 /nfs/dbraw/zinc/15/14/05/496151405.db2.gz MQRHAANAFPMQIF-RBUKOAKNSA-N 1 3 374.573 3.489 20 0 FGADHO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)C2 ZINC000180907265 496194543 /nfs/dbraw/zinc/19/45/43/496194543.db2.gz DETPXWLWRCIBSV-HTAPYJJXSA-N 1 3 365.521 3.310 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC4(CCCC4)C3)CC2)CC1 ZINC000577961898 505828975 /nfs/dbraw/zinc/82/89/75/505828975.db2.gz GDEPSYYBSMZQSA-UHFFFAOYSA-N 1 3 361.574 3.366 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000152681868 496225392 /nfs/dbraw/zinc/22/53/92/496225392.db2.gz UVSZMWGZJIXJGP-OAHAVBBTSA-N 1 3 364.578 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000152881435 496284876 /nfs/dbraw/zinc/28/48/76/496284876.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 1 3 355.526 3.126 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000152881435 496284881 /nfs/dbraw/zinc/28/48/81/496284881.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 1 3 355.526 3.126 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303482 496330527 /nfs/dbraw/zinc/33/05/27/496330527.db2.gz VBGDDDSDUMFXMN-NQIIRXRSSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363194 /nfs/dbraw/zinc/36/31/94/496363194.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363200 /nfs/dbraw/zinc/36/32/00/496363200.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc([C@H](C)[NH3+])cc3)CC2)c1 ZINC000178238399 496381983 /nfs/dbraw/zinc/38/19/83/496381983.db2.gz CVXQFOIMRBCZPY-SFHVURJKSA-N 1 3 366.509 3.166 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184508930 496416696 /nfs/dbraw/zinc/41/66/96/496416696.db2.gz FLCIECBTSZTYKH-HUUCEWRRSA-N 1 3 352.910 3.306 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000184508930 496416702 /nfs/dbraw/zinc/41/67/02/496416702.db2.gz FLCIECBTSZTYKH-HUUCEWRRSA-N 1 3 352.910 3.306 20 0 FGADHO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(OCCN(C)C)cc1 ZINC000178365050 496428765 /nfs/dbraw/zinc/42/87/65/496428765.db2.gz CBBRYIQDAVUWCQ-HNNXBMFYSA-N 1 3 373.463 3.304 20 0 FGADHO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000163126894 496470200 /nfs/dbraw/zinc/47/02/00/496470200.db2.gz AUDFKFDGRFFGOZ-HZPDHXFCSA-N 1 3 373.463 3.162 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163927335 496570500 /nfs/dbraw/zinc/57/05/00/496570500.db2.gz LHYKLQQXQSBNDK-JOCHJYFZSA-N 1 3 369.557 3.059 20 0 FGADHO Cc1nccnc1[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000187794111 496575281 /nfs/dbraw/zinc/57/52/81/496575281.db2.gz AQYQDJRSRIWOOY-LJQANCHMSA-N 1 3 367.541 3.034 20 0 FGADHO N[C@@H](CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178817845 496583210 /nfs/dbraw/zinc/58/32/10/496583210.db2.gz VSYBWZGTDGFOTE-NRFANRHFSA-N 1 3 351.494 3.105 20 0 FGADHO C[C@H](c1ccc(Br)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178981947 496635160 /nfs/dbraw/zinc/63/51/60/496635160.db2.gz QTAJEHAHOHIPHX-OAHLLOKOSA-N 1 3 366.347 3.127 20 0 FGADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166415047 496686038 /nfs/dbraw/zinc/68/60/38/496686038.db2.gz LRJUBHXYLGRACW-BHDDXSALSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@@H](C(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166415047 496686042 /nfs/dbraw/zinc/68/60/42/496686042.db2.gz LRJUBHXYLGRACW-BHDDXSALSA-N 1 3 369.553 3.388 20 0 FGADHO CC[C@@H](C(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166415047 496686049 /nfs/dbraw/zinc/68/60/49/496686049.db2.gz LRJUBHXYLGRACW-BHDDXSALSA-N 1 3 369.553 3.388 20 0 FGADHO CC(C)O[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000185231702 496712232 /nfs/dbraw/zinc/71/22/32/496712232.db2.gz UECNWTYHAVJRHP-OALUTQOASA-N 1 3 351.579 3.118 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244258 496718563 /nfs/dbraw/zinc/71/85/63/496718563.db2.gz NXSQELRPJYMLDP-VGOFRKELSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244258 496718566 /nfs/dbraw/zinc/71/85/66/496718566.db2.gz NXSQELRPJYMLDP-VGOFRKELSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244240 496718595 /nfs/dbraw/zinc/71/85/95/496718595.db2.gz NXSQELRPJYMLDP-HTAPYJJXSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244240 496718599 /nfs/dbraw/zinc/71/85/99/496718599.db2.gz NXSQELRPJYMLDP-HTAPYJJXSA-N 1 3 366.505 3.429 20 0 FGADHO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182258531 496721588 /nfs/dbraw/zinc/72/15/88/496721588.db2.gz GKMHBVQJGOYVIM-PCCBWWKXSA-N 1 3 360.542 3.183 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000182257757 496721765 /nfs/dbraw/zinc/72/17/65/496721765.db2.gz YCYINRHXEIOXJY-UGKGYDQZSA-N 1 3 352.478 3.039 20 0 FGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182257757 496721768 /nfs/dbraw/zinc/72/17/68/496721768.db2.gz YCYINRHXEIOXJY-UGKGYDQZSA-N 1 3 352.478 3.039 20 0 FGADHO CC[C@@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1nccn1C ZINC000182286440 496726648 /nfs/dbraw/zinc/72/66/48/496726648.db2.gz ZWMCVJIEGYWULH-OAQYLSRUSA-N 1 3 369.557 3.372 20 0 FGADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000182331271 496730092 /nfs/dbraw/zinc/73/00/92/496730092.db2.gz SIBCQRBOMPQGKM-FQEVSTJZSA-N 1 3 372.534 3.082 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401907 496760966 /nfs/dbraw/zinc/76/09/66/496760966.db2.gz ZODASWHDMMFHJK-CQSZACIVSA-N 1 3 357.420 3.450 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401907 496760970 /nfs/dbraw/zinc/76/09/70/496760970.db2.gz ZODASWHDMMFHJK-CQSZACIVSA-N 1 3 357.420 3.450 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000247077603 496771895 /nfs/dbraw/zinc/77/18/95/496771895.db2.gz XKGPYQXXPHNIQX-QKLQHJQFSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@H]1C[C@@H](NCc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750999 496774321 /nfs/dbraw/zinc/77/43/21/496774321.db2.gz HRNLSBPDPVAETF-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@@H](NCc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750999 496774328 /nfs/dbraw/zinc/77/43/28/496774328.db2.gz HRNLSBPDPVAETF-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000247100464 496778604 /nfs/dbraw/zinc/77/86/04/496778604.db2.gz OOPWEFKEQGJZKG-VNVACVKESA-N 1 3 366.571 3.357 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767939 496780497 /nfs/dbraw/zinc/78/04/97/496780497.db2.gz COFXEWPKBHMVES-DZFGPLHGSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767939 496780503 /nfs/dbraw/zinc/78/05/03/496780503.db2.gz COFXEWPKBHMVES-DZFGPLHGSA-N 1 3 354.494 3.229 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000191496510 496783068 /nfs/dbraw/zinc/78/30/68/496783068.db2.gz ZHHAULFRFFRGOQ-UHFFFAOYSA-N 1 3 363.521 3.085 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000247183463 496800580 /nfs/dbraw/zinc/80/05/80/496800580.db2.gz VITAXXJTAYUQAW-LSTHTHJFSA-N 1 3 365.949 3.033 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000191564353 496813650 /nfs/dbraw/zinc/81/36/50/496813650.db2.gz FXVHZOPWDVHASO-WIYYLYMNSA-N 1 3 356.510 3.190 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000247971879 496935835 /nfs/dbraw/zinc/93/58/35/496935835.db2.gz HLKXAPGJDJLYKI-XHSDSOJGSA-N 1 3 353.457 3.187 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000247971879 496935842 /nfs/dbraw/zinc/93/58/42/496935842.db2.gz HLKXAPGJDJLYKI-XHSDSOJGSA-N 1 3 353.457 3.187 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184676 496970252 /nfs/dbraw/zinc/97/02/52/496970252.db2.gz XBOBAKABPFSLPY-UXLLHSPISA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184676 496970255 /nfs/dbraw/zinc/97/02/55/496970255.db2.gz XBOBAKABPFSLPY-UXLLHSPISA-N 1 3 366.347 3.348 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192143486 497010980 /nfs/dbraw/zinc/01/09/80/497010980.db2.gz MLJFUNYPXWUIGN-LJQANCHMSA-N 1 3 357.498 3.106 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192143486 497010981 /nfs/dbraw/zinc/01/09/81/497010981.db2.gz MLJFUNYPXWUIGN-LJQANCHMSA-N 1 3 357.498 3.106 20 0 FGADHO O[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000569212898 505879365 /nfs/dbraw/zinc/87/93/65/505879365.db2.gz YYCNXKNWXVEVAL-XZOQPEGZSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@H](CCc1ccccc1)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000569212898 505879366 /nfs/dbraw/zinc/87/93/66/505879366.db2.gz YYCNXKNWXVEVAL-XZOQPEGZSA-N 1 3 352.522 3.134 20 0 FGADHO O[C@H](CCc1ccccc1)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212898 505879368 /nfs/dbraw/zinc/87/93/68/505879368.db2.gz YYCNXKNWXVEVAL-XZOQPEGZSA-N 1 3 352.522 3.134 20 0 FGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCCC2 ZINC000248459070 497018736 /nfs/dbraw/zinc/01/87/36/497018736.db2.gz VJMVUIVUKALUPW-QHAWAJNXSA-N 1 3 358.526 3.081 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1 ZINC000278386038 497097214 /nfs/dbraw/zinc/09/72/14/497097214.db2.gz CPFRLOPMBOLYLB-ZWKOTPCHSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278386038 497097218 /nfs/dbraw/zinc/09/72/18/497097218.db2.gz CPFRLOPMBOLYLB-ZWKOTPCHSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278386038 497097223 /nfs/dbraw/zinc/09/72/23/497097223.db2.gz CPFRLOPMBOLYLB-ZWKOTPCHSA-N 1 3 356.514 3.332 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892343 497128529 /nfs/dbraw/zinc/12/85/29/497128529.db2.gz SGOSEKVBRZWKIX-UGKGYDQZSA-N 1 3 370.541 3.407 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892343 497128533 /nfs/dbraw/zinc/12/85/33/497128533.db2.gz SGOSEKVBRZWKIX-UGKGYDQZSA-N 1 3 370.541 3.407 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000236877135 497161332 /nfs/dbraw/zinc/16/13/32/497161332.db2.gz GNXHXUCNGVTTCG-LEWJYISDSA-N 1 3 353.510 3.146 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274885463 497190408 /nfs/dbraw/zinc/19/04/08/497190408.db2.gz IIVNBYUVVROVBC-UNMCSNQZSA-N 1 3 373.585 3.376 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747028 497202330 /nfs/dbraw/zinc/20/23/30/497202330.db2.gz WROFAIVQTOISCH-HRTMPFAESA-N 1 3 365.606 3.462 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747028 497202337 /nfs/dbraw/zinc/20/23/37/497202337.db2.gz WROFAIVQTOISCH-HRTMPFAESA-N 1 3 365.606 3.462 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000192786367 497213861 /nfs/dbraw/zinc/21/38/61/497213861.db2.gz VCBOPEUNXXSIPD-INIZCTEOSA-N 1 3 355.473 3.355 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000270921298 497226137 /nfs/dbraw/zinc/22/61/37/497226137.db2.gz JXEPNGSBPCIKMT-SFHVURJKSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192842049 497227704 /nfs/dbraw/zinc/22/77/04/497227704.db2.gz SWWWKRPNUDHESD-OAQYLSRUSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399902 497231330 /nfs/dbraw/zinc/23/13/30/497231330.db2.gz TTWCDKHHJYCGTR-YUXAGFNASA-N 1 3 365.521 3.446 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237524326 497250286 /nfs/dbraw/zinc/25/02/86/497250286.db2.gz NFDLILWUAAVMQZ-AVRDEDQJSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237524326 497250289 /nfs/dbraw/zinc/25/02/89/497250289.db2.gz NFDLILWUAAVMQZ-AVRDEDQJSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1Br ZINC000192931558 497250466 /nfs/dbraw/zinc/25/04/66/497250466.db2.gz AQQJOVHFKJTNAV-AVOUXACISA-N 1 3 353.304 3.431 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Br ZINC000192931558 497250470 /nfs/dbraw/zinc/25/04/70/497250470.db2.gz AQQJOVHFKJTNAV-AVOUXACISA-N 1 3 353.304 3.431 20 0 FGADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000574972491 505894854 /nfs/dbraw/zinc/89/48/54/505894854.db2.gz KXMMCBFSMFDCQC-XSDIEEQYSA-N 1 3 354.498 3.206 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000572124367 505896565 /nfs/dbraw/zinc/89/65/65/505896565.db2.gz SNAVCOWVTCAKDV-SFHVURJKSA-N 1 3 364.493 3.493 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000189948786 497303243 /nfs/dbraw/zinc/30/32/43/497303243.db2.gz CFVPSUGJPMOERF-QUCCMNQESA-N 1 3 372.557 3.165 20 0 FGADHO [NH3+][C@H](CCC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000237914352 497313849 /nfs/dbraw/zinc/31/38/49/497313849.db2.gz NOYPZIZQLNJESP-OAQYLSRUSA-N 1 3 351.494 3.247 20 0 FGADHO [NH3+][C@H](CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237940036 497317305 /nfs/dbraw/zinc/31/73/05/497317305.db2.gz MSBBOIWGOFZJDD-LEWJYISDSA-N 1 3 351.494 3.247 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000266442496 497342866 /nfs/dbraw/zinc/34/28/66/497342866.db2.gz PCKYXEQAFMDPMV-NRFANRHFSA-N 1 3 368.525 3.193 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000275701090 497407856 /nfs/dbraw/zinc/40/78/56/497407856.db2.gz SSEDAOWZPODDLM-SFHVURJKSA-N 1 3 358.530 3.130 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550174 497411116 /nfs/dbraw/zinc/41/11/16/497411116.db2.gz CBJZRYVRKBAFKE-YOEHRIQHSA-N 1 3 355.320 3.193 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550201 497411364 /nfs/dbraw/zinc/41/13/64/497411364.db2.gz CBJZRYVRKBAFKE-PBHICJAKSA-N 1 3 355.320 3.193 20 0 FGADHO CN(c1ccccc1CN1CCC[C@H]1C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000245559702 497457208 /nfs/dbraw/zinc/45/72/08/497457208.db2.gz MCJYFTNPKOPVSX-QFIPXVFZSA-N 1 3 370.585 3.277 20 0 FGADHO CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245767657 497533130 /nfs/dbraw/zinc/53/31/30/497533130.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767657 497533132 /nfs/dbraw/zinc/53/31/32/497533132.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767657 497533136 /nfs/dbraw/zinc/53/31/36/497533136.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 1 3 371.569 3.128 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193971324 497535994 /nfs/dbraw/zinc/53/59/94/497535994.db2.gz PHHDAFWHLVMFTO-ZDUSSCGKSA-N 1 3 360.365 3.189 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193972765 497536352 /nfs/dbraw/zinc/53/63/52/497536352.db2.gz ZOFODQBOPOIJNI-QWHCGFSZSA-N 1 3 360.365 3.187 20 0 FGADHO C[C@H](CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668627 497596129 /nfs/dbraw/zinc/59/61/29/497596129.db2.gz QRTPNLOPWCHXCQ-GIVPXCGWSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)N(C)c1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000190785746 497603195 /nfs/dbraw/zinc/60/31/95/497603195.db2.gz CHCIJRZTFRMSCP-UHFFFAOYSA-N 1 3 356.514 3.156 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000581138200 505917689 /nfs/dbraw/zinc/91/76/89/505917689.db2.gz KITOXGAPAJZFHZ-UWVAXJGDSA-N 1 3 368.949 3.143 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000581138200 505917691 /nfs/dbraw/zinc/91/76/91/505917691.db2.gz KITOXGAPAJZFHZ-UWVAXJGDSA-N 1 3 368.949 3.143 20 0 FGADHO C[C@H](CC1CCCCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000194355127 497642478 /nfs/dbraw/zinc/64/24/78/497642478.db2.gz FWUOYFXPHPFHMD-QGZVFWFLSA-N 1 3 364.578 3.203 20 0 FGADHO N[C@H](CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966948 497668367 /nfs/dbraw/zinc/66/83/67/497668367.db2.gz REBSSZFJPNTBRJ-RTBURBONSA-N 1 3 369.534 3.309 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272586059 497670727 /nfs/dbraw/zinc/67/07/27/497670727.db2.gz WSBJXCRWSOTLPH-PGRDOPGGSA-N 1 3 365.521 3.389 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000246276611 497681532 /nfs/dbraw/zinc/68/15/32/497681532.db2.gz JPYVRMBXEULFBP-YLJYHZDGSA-N 1 3 360.546 3.010 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272859873 497746364 /nfs/dbraw/zinc/74/63/64/497746364.db2.gz ICDAQTCDEFGVFS-QGZVFWFLSA-N 1 3 374.529 3.179 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900597 497819435 /nfs/dbraw/zinc/81/94/35/497819435.db2.gz FVNMYRJWFJZMAX-DLBZAZTESA-N 1 3 352.544 3.395 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900597 497819436 /nfs/dbraw/zinc/81/94/36/497819436.db2.gz FVNMYRJWFJZMAX-DLBZAZTESA-N 1 3 352.544 3.395 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@H]3C[C@H](C)n4ccnc43)CC2)c1 ZINC000296186266 497948916 /nfs/dbraw/zinc/94/89/16/497948916.db2.gz YIAFMAOJOXFVRB-FPOVZHCZSA-N 1 3 367.541 3.389 20 0 FGADHO C[C@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281344 497952604 /nfs/dbraw/zinc/95/26/04/497952604.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 1 3 371.569 3.084 20 0 FGADHO C[C@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281344 497952610 /nfs/dbraw/zinc/95/26/10/497952610.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 1 3 371.569 3.084 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204769 497955407 /nfs/dbraw/zinc/95/54/07/497955407.db2.gz ZCPTWUIOOUAFGV-KRWDZBQOSA-N 1 3 350.938 3.120 20 0 FGADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500163 505955765 /nfs/dbraw/zinc/95/57/65/505955765.db2.gz OWLUARAZEXLYLO-DHIUTWEWSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500163 505955767 /nfs/dbraw/zinc/95/57/67/505955767.db2.gz OWLUARAZEXLYLO-DHIUTWEWSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500163 505955770 /nfs/dbraw/zinc/95/57/70/505955770.db2.gz OWLUARAZEXLYLO-DHIUTWEWSA-N 1 3 352.522 3.482 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000569651453 505983941 /nfs/dbraw/zinc/98/39/41/505983941.db2.gz YBCTYBOEGQNINP-NRFANRHFSA-N 1 3 359.583 3.068 20 0 FGADHO c1ccc(CN2CCSC[C@@H]2C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000569651453 505983944 /nfs/dbraw/zinc/98/39/44/505983944.db2.gz YBCTYBOEGQNINP-NRFANRHFSA-N 1 3 359.583 3.068 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c2cccs2)CC1 ZINC000578640410 505987641 /nfs/dbraw/zinc/98/76/41/505987641.db2.gz VAAFZTUVJXXSFK-ZACQAIPSSA-N 1 3 364.559 3.090 20 0 FGADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652726 505990322 /nfs/dbraw/zinc/99/03/22/505990322.db2.gz VSVGIAKLTFASCA-ILXRZTDVSA-N 1 3 369.431 3.354 20 0 FGADHO O=C(NCCCCC[NH+]1CCCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289579777 498203301 /nfs/dbraw/zinc/20/33/01/498203301.db2.gz TWHMSNXPHSWSGF-OALUTQOASA-N 1 3 358.482 3.063 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000281601301 498208171 /nfs/dbraw/zinc/20/81/71/498208171.db2.gz MGACJARNBYCAKU-UFYCRDLUSA-N 1 3 362.489 3.179 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000581522717 506006853 /nfs/dbraw/zinc/00/68/53/506006853.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000581522717 506006854 /nfs/dbraw/zinc/00/68/54/506006854.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 1 3 357.542 3.409 20 0 FGADHO C[N@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2ccncc2)CC1 ZINC000360675471 498296952 /nfs/dbraw/zinc/29/69/52/498296952.db2.gz WWNYSVVPFYEPAB-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO C[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2ccncc2)CC1 ZINC000360675471 498296959 /nfs/dbraw/zinc/29/69/59/498296959.db2.gz WWNYSVVPFYEPAB-UHFFFAOYSA-N 1 3 370.472 3.398 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000293530254 498404707 /nfs/dbraw/zinc/40/47/07/498404707.db2.gz DTZVPERNIXHUGN-VQIMIIECSA-N 1 3 365.477 3.018 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@@H](C)O1 ZINC000282252000 498439495 /nfs/dbraw/zinc/43/94/95/498439495.db2.gz MWPXVQUEFMDTKQ-HZPDHXFCSA-N 1 3 362.543 3.128 20 0 FGADHO COCCOCc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000290228888 498474042 /nfs/dbraw/zinc/47/40/42/498474042.db2.gz YBGKFSYWOBTWTI-UHFFFAOYSA-N 1 3 369.509 3.251 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431890 498509565 /nfs/dbraw/zinc/50/95/65/498509565.db2.gz HNICGMFWSFIAFT-RBUKOAKNSA-N 1 3 356.510 3.363 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431890 498509571 /nfs/dbraw/zinc/50/95/71/498509571.db2.gz HNICGMFWSFIAFT-RBUKOAKNSA-N 1 3 356.510 3.363 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328756 498510796 /nfs/dbraw/zinc/51/07/96/498510796.db2.gz DNHHPTRXOJOTFU-INIZCTEOSA-N 1 3 359.905 3.084 20 0 FGADHO c1ccc(CN2CCC(OCCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000297714479 498545456 /nfs/dbraw/zinc/54/54/56/498545456.db2.gz RINUMPLFVUIINQ-UHFFFAOYSA-N 1 3 371.569 3.274 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000581819166 506067743 /nfs/dbraw/zinc/06/77/43/506067743.db2.gz GYYDUJHCOVSSIN-NSISKUIASA-N 1 3 361.530 3.102 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC(CC[NH3+])CC3)c2C)cc1 ZINC000581827904 506068596 /nfs/dbraw/zinc/06/85/96/506068596.db2.gz HVAKFHZQQPICLK-UHFFFAOYSA-N 1 3 356.514 3.118 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977443 498718917 /nfs/dbraw/zinc/71/89/17/498718917.db2.gz HDGYQHGXAMQSSM-HSZRJFAPSA-N 1 3 371.569 3.085 20 0 FGADHO Cc1cnn([C@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987826 498746419 /nfs/dbraw/zinc/74/64/19/498746419.db2.gz USVWJPFLBLFAAI-NRFANRHFSA-N 1 3 367.541 3.169 20 0 FGADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311520724 498752420 /nfs/dbraw/zinc/75/24/20/498752420.db2.gz JFBUISODLPZXEW-LAUBAEHRSA-N 1 3 352.478 3.473 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCOCC1 ZINC000576146621 506087540 /nfs/dbraw/zinc/08/75/40/506087540.db2.gz XRFUMKMSCKBVMW-HZPDHXFCSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146621 506087543 /nfs/dbraw/zinc/08/75/43/506087543.db2.gz XRFUMKMSCKBVMW-HZPDHXFCSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCOCC1 ZINC000576146620 506087906 /nfs/dbraw/zinc/08/79/06/506087906.db2.gz XRFUMKMSCKBVMW-HOTGVXAUSA-N 1 3 366.933 3.375 20 0 FGADHO COc1ccc(Cl)cc1C1(CN[C@@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000576146620 506087911 /nfs/dbraw/zinc/08/79/11/506087911.db2.gz XRFUMKMSCKBVMW-HOTGVXAUSA-N 1 3 366.933 3.375 20 0 FGADHO CC(C)c1nc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccn21 ZINC000570098650 506089675 /nfs/dbraw/zinc/08/96/75/506089675.db2.gz FPKWJRSWVDYAGV-IBGZPJMESA-N 1 3 369.557 3.058 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089876 /nfs/dbraw/zinc/08/98/76/506089876.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 1 3 363.571 3.211 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089880 /nfs/dbraw/zinc/08/98/80/506089880.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 1 3 363.571 3.211 20 0 FGADHO Fc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298596381 498824212 /nfs/dbraw/zinc/82/42/12/498824212.db2.gz YVJCRRNYIVMLLS-QGZVFWFLSA-N 1 3 354.473 3.306 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000363498509 498849507 /nfs/dbraw/zinc/84/95/07/498849507.db2.gz ZCMABQJZQCJUPW-HXUWFJFHSA-N 1 3 355.526 3.032 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000363498509 498849512 /nfs/dbraw/zinc/84/95/12/498849512.db2.gz ZCMABQJZQCJUPW-HXUWFJFHSA-N 1 3 355.526 3.032 20 0 FGADHO CN1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324452 498874832 /nfs/dbraw/zinc/87/48/32/498874832.db2.gz AXZPMEWSEVEKRG-APWZRJJASA-N 1 3 351.922 3.358 20 0 FGADHO C[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@@H](N)c1ccccc1 ZINC000366336202 498878853 /nfs/dbraw/zinc/87/88/53/498878853.db2.gz ZJPXAHZUMSVAKN-GHTZIAJQSA-N 1 3 357.542 3.293 20 0 FGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000287844600 498881488 /nfs/dbraw/zinc/88/14/88/498881488.db2.gz WLIXIHZNPINXME-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186954 506112585 /nfs/dbraw/zinc/11/25/85/506112585.db2.gz SIPAETYRUJBBDL-GHTZIAJQSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288164809 498958916 /nfs/dbraw/zinc/95/89/16/498958916.db2.gz OUBCPAUJMVPIES-ZWOKBUDYSA-N 1 3 360.546 3.050 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000288324213 498995472 /nfs/dbraw/zinc/99/54/72/498995472.db2.gz YBGGUFKUBGBUDU-IZBJGVDFSA-N 1 3 360.546 3.050 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000288324213 498995474 /nfs/dbraw/zinc/99/54/74/498995474.db2.gz YBGGUFKUBGBUDU-IZBJGVDFSA-N 1 3 360.546 3.050 20 0 FGADHO Cc1cc([C@@H](C)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000283916349 499012125 /nfs/dbraw/zinc/01/21/25/499012125.db2.gz DMXMOCKKJZQGRB-LJQANCHMSA-N 1 3 356.514 3.232 20 0 FGADHO CO[C@@H](CN(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000284293815 499083986 /nfs/dbraw/zinc/08/39/86/499083986.db2.gz GGKWUTFDWUCDAB-QFIPXVFZSA-N 1 3 353.510 3.408 20 0 FGADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000284351997 499094097 /nfs/dbraw/zinc/09/40/97/499094097.db2.gz MIDVCUWNVNJQJQ-NJYVYQBISA-N 1 3 356.510 3.207 20 0 FGADHO CCOC1CC(CN2CCC[C@@H]([N@H+](C)CC3CC(OCC)C3)CC2)C1 ZINC000367222552 499163958 /nfs/dbraw/zinc/16/39/58/499163958.db2.gz CVUIZJNKPJHUKR-PSTSCRTLSA-N 1 3 352.563 3.403 20 0 FGADHO CCOC1CC(CN2CCC[C@@H]([N@@H+](C)CC3CC(OCC)C3)CC2)C1 ZINC000367222552 499163959 /nfs/dbraw/zinc/16/39/59/499163959.db2.gz CVUIZJNKPJHUKR-PSTSCRTLSA-N 1 3 352.563 3.403 20 0 FGADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000367259311 499169549 /nfs/dbraw/zinc/16/95/49/499169549.db2.gz HOYMOEATOQCTBQ-QFIPXVFZSA-N 1 3 371.569 3.133 20 0 FGADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372780777 499174211 /nfs/dbraw/zinc/17/42/11/499174211.db2.gz LGYQOZFEOGXLLX-RXVVDRJESA-N 1 3 359.558 3.128 20 0 FGADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372780777 499174213 /nfs/dbraw/zinc/17/42/13/499174213.db2.gz LGYQOZFEOGXLLX-RXVVDRJESA-N 1 3 359.558 3.128 20 0 FGADHO COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000370160837 499190075 /nfs/dbraw/zinc/19/00/75/499190075.db2.gz IMSYQSPLMFAODD-MAUKXSAKSA-N 1 3 358.511 3.064 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367605900 499217015 /nfs/dbraw/zinc/21/70/15/499217015.db2.gz IIAPBLUIRFPRDB-QHAWAJNXSA-N 1 3 355.526 3.275 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367605900 499217016 /nfs/dbraw/zinc/21/70/16/499217016.db2.gz IIAPBLUIRFPRDB-QHAWAJNXSA-N 1 3 355.526 3.275 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367605900 499217017 /nfs/dbraw/zinc/21/70/17/499217017.db2.gz IIAPBLUIRFPRDB-QHAWAJNXSA-N 1 3 355.526 3.275 20 0 FGADHO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000367681871 499224416 /nfs/dbraw/zinc/22/44/16/499224416.db2.gz DHQOXUAHWKOVOU-GOSISDBHSA-N 1 3 354.498 3.249 20 0 FGADHO COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000367681871 499224417 /nfs/dbraw/zinc/22/44/17/499224417.db2.gz DHQOXUAHWKOVOU-GOSISDBHSA-N 1 3 354.498 3.249 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@@H](C)O1 ZINC000370645698 499239440 /nfs/dbraw/zinc/23/94/40/499239440.db2.gz LOZWHRXJMLBGJU-QZTJIDSGSA-N 1 3 365.587 3.192 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000370763847 499252476 /nfs/dbraw/zinc/25/24/76/499252476.db2.gz PWJXGYVJMUVZPB-RCZSKKKRSA-N 1 3 365.521 3.351 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000370763847 499252478 /nfs/dbraw/zinc/25/24/78/499252478.db2.gz PWJXGYVJMUVZPB-RCZSKKKRSA-N 1 3 365.521 3.351 20 0 FGADHO COCCC1(C[N@@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCCCC1 ZINC000368052707 499260013 /nfs/dbraw/zinc/26/00/13/499260013.db2.gz XWUFFHLIBGSEAD-IBGZPJMESA-N 1 3 351.579 3.074 20 0 FGADHO COCCC1(C[N@H+]2CCN(C3CCN(C)CC3)[C@@H](C)C2)CCCCC1 ZINC000368052707 499260014 /nfs/dbraw/zinc/26/00/14/499260014.db2.gz XWUFFHLIBGSEAD-IBGZPJMESA-N 1 3 351.579 3.074 20 0 FGADHO Cc1nn2c(CN(C)CC3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000368299990 499283337 /nfs/dbraw/zinc/28/33/37/499283337.db2.gz LCEIRUNHILEYIK-UHFFFAOYSA-N 1 3 370.526 3.151 20 0 FGADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505029 499302688 /nfs/dbraw/zinc/30/26/88/499302688.db2.gz TYIPWITXDJVLLQ-DHIUTWEWSA-N 1 3 371.569 3.228 20 0 FGADHO Cc1cccc(C)c1OCCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371302988 499307727 /nfs/dbraw/zinc/30/77/27/499307727.db2.gz LXUAVRRDRQQFBO-NHCUHLMSSA-N 1 3 359.558 3.030 20 0 FGADHO C[C@H](O)c1ncc(CNCC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000368569228 499308526 /nfs/dbraw/zinc/30/85/26/499308526.db2.gz VDWKMXXLXJPTKM-INIZCTEOSA-N 1 3 359.539 3.241 20 0 FGADHO CCCN1CCN(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000369042300 499359684 /nfs/dbraw/zinc/35/96/84/499359684.db2.gz UDBNCCJPSDVOQF-OAQYLSRUSA-N 1 3 363.590 3.360 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385705 506145418 /nfs/dbraw/zinc/14/54/18/506145418.db2.gz DLOLNLHFJIOKKH-MSOLQXFVSA-N 1 3 371.525 3.161 20 0 FGADHO CN1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424838 499433118 /nfs/dbraw/zinc/43/31/18/499433118.db2.gz IMVIRSMFJMGYQC-LEWJYISDSA-N 1 3 361.574 3.364 20 0 FGADHO CN1CCC2(CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372442830 499435546 /nfs/dbraw/zinc/43/55/46/499435546.db2.gz ZQADLFHVLSRAHZ-UHFFFAOYSA-N 1 3 370.541 3.052 20 0 FGADHO CCCN1CCN(C2CC[NH+](C[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000372933081 499443642 /nfs/dbraw/zinc/44/36/42/499443642.db2.gz YIOSVUUXMLLHCK-LJQANCHMSA-N 1 3 359.558 3.291 20 0 FGADHO Cc1nc([C@H](C)[NH2+]CC2(N3CCN(C)CC3)CCCCCC2)cs1 ZINC000378199986 499489777 /nfs/dbraw/zinc/48/97/77/499489777.db2.gz KBBWQUCIGGNYHQ-INIZCTEOSA-N 1 3 350.576 3.443 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cncnc3C)CC2)c1 ZINC000573220031 506147388 /nfs/dbraw/zinc/14/73/88/506147388.db2.gz VNWKTBJYHKQVSI-LJQANCHMSA-N 1 3 367.541 3.346 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1 ZINC000378351547 499505506 /nfs/dbraw/zinc/50/55/06/499505506.db2.gz AGLPHTUHAREKBE-IBGZPJMESA-N 1 3 355.526 3.085 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378351547 499505508 /nfs/dbraw/zinc/50/55/08/499505508.db2.gz AGLPHTUHAREKBE-IBGZPJMESA-N 1 3 355.526 3.085 20 0 FGADHO CN1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000375434375 499518520 /nfs/dbraw/zinc/51/85/20/499518520.db2.gz UWLQNMJXDLKHHK-NHCUHLMSSA-N 1 3 372.557 3.245 20 0 FGADHO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381942244 499545178 /nfs/dbraw/zinc/54/51/78/499545178.db2.gz ZFFSXIMUTSGDCO-YJBOKZPZSA-N 1 3 366.431 3.446 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000389105740 499552274 /nfs/dbraw/zinc/55/22/74/499552274.db2.gz PBMVOCMEGIYPLU-FXAWDEMLSA-N 1 3 352.478 3.458 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845319 499553265 /nfs/dbraw/zinc/55/32/65/499553265.db2.gz NEKWVQHRFYZBFZ-JRGCBEDISA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397525373 499564426 /nfs/dbraw/zinc/56/44/26/499564426.db2.gz WJZPBEPEFCAIRZ-GOSISDBHSA-N 1 3 356.485 3.373 20 0 FGADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000376567589 499619506 /nfs/dbraw/zinc/61/95/06/499619506.db2.gz XOYKOMFTJQZTFG-KMFTYDHNSA-N 1 3 373.516 3.171 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235692 499672689 /nfs/dbraw/zinc/67/26/89/499672689.db2.gz DAVASMGOHOQVDC-UYAOXDASSA-N 1 3 357.542 3.075 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C1CCN(C)CC1 ZINC000377235692 499672691 /nfs/dbraw/zinc/67/26/91/499672691.db2.gz DAVASMGOHOQVDC-UYAOXDASSA-N 1 3 357.542 3.075 20 0 FGADHO COc1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000377362083 499683484 /nfs/dbraw/zinc/68/34/84/499683484.db2.gz ZUMHBGPLAGFBAS-QFIPXVFZSA-N 1 3 370.493 3.411 20 0 FGADHO COCCOc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377692462 499720591 /nfs/dbraw/zinc/72/05/91/499720591.db2.gz INKIGEJEBRWONX-UHFFFAOYSA-N 1 3 355.482 3.208 20 0 FGADHO COCCOc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377692462 499720592 /nfs/dbraw/zinc/72/05/92/499720592.db2.gz INKIGEJEBRWONX-UHFFFAOYSA-N 1 3 355.482 3.208 20 0 FGADHO C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2ccncc2)CC1 ZINC000377709148 499723755 /nfs/dbraw/zinc/72/37/55/499723755.db2.gz UPKOMPXTHSWYAE-UHFFFAOYSA-N 1 3 351.498 3.178 20 0 FGADHO C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2ccncc2)CC1 ZINC000377709148 499723756 /nfs/dbraw/zinc/72/37/56/499723756.db2.gz UPKOMPXTHSWYAE-UHFFFAOYSA-N 1 3 351.498 3.178 20 0 FGADHO COC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000377741915 499727234 /nfs/dbraw/zinc/72/72/34/499727234.db2.gz XDNQMJAOJYITLK-UNMCSNQZSA-N 1 3 360.542 3.320 20 0 FGADHO Cc1cccc(C2(NCC(=O)NC3CC[NH+](C(C)C)CC3)CCCC2)c1 ZINC000411363960 499729653 /nfs/dbraw/zinc/72/96/53/499729653.db2.gz KWWZSORZHKFMBI-UHFFFAOYSA-N 1 3 357.542 3.343 20 0 FGADHO CC[NH+]1CCC(NC(=O)CNC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000411471417 499744963 /nfs/dbraw/zinc/74/49/63/499744963.db2.gz FRVMPWIIXAJXSP-UHFFFAOYSA-N 1 3 363.933 3.299 20 0 FGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414181643 499766286 /nfs/dbraw/zinc/76/62/86/499766286.db2.gz CFGGJEIWVOIKQH-VXKWHMMOSA-N 1 3 371.569 3.017 20 0 FGADHO OC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000414294288 499775192 /nfs/dbraw/zinc/77/51/92/499775192.db2.gz BXFTZIFETZXIFB-BHDDXSALSA-N 1 3 372.553 3.198 20 0 FGADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000414302242 499775767 /nfs/dbraw/zinc/77/57/67/499775767.db2.gz KHYCRAQYMOIFBH-OAQYLSRUSA-N 1 3 353.510 3.395 20 0 FGADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]CCC3CCCCC3)cc2)CC1 ZINC000414558131 499808534 /nfs/dbraw/zinc/80/85/34/499808534.db2.gz RHPWPMPMVIKLAY-UHFFFAOYSA-N 1 3 357.542 3.444 20 0 FGADHO c1ccc(CC(Cc2ccccc2)C[N@@H+]2CC[C@H](N3CCNCC3)C2)cc1 ZINC000414794518 499831789 /nfs/dbraw/zinc/83/17/89/499831789.db2.gz UBKZWYTUZCBZAE-DEOSSOPVSA-N 1 3 363.549 3.068 20 0 FGADHO c1ccc(CC(Cc2ccccc2)C[N@H+]2CC[C@H](N3CCNCC3)C2)cc1 ZINC000414794518 499831791 /nfs/dbraw/zinc/83/17/91/499831791.db2.gz UBKZWYTUZCBZAE-DEOSSOPVSA-N 1 3 363.549 3.068 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414795268 499832172 /nfs/dbraw/zinc/83/21/72/499832172.db2.gz GKOSYEVXFJPUOL-GZBFAFLISA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414795268 499832174 /nfs/dbraw/zinc/83/21/74/499832174.db2.gz GKOSYEVXFJPUOL-GZBFAFLISA-N 1 3 353.894 3.173 20 0 FGADHO COCC1(CNCc2c(Cl)cccc2N2CCCC2)CC[NH2+]CC1 ZINC000414979411 499850936 /nfs/dbraw/zinc/85/09/36/499850936.db2.gz UXBWQDNNBRKBBK-UHFFFAOYSA-N 1 3 351.922 3.046 20 0 FGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000415006651 499854389 /nfs/dbraw/zinc/85/43/89/499854389.db2.gz QLFOLJYQSFZNML-NQIIRXRSSA-N 1 3 368.500 3.172 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415087121 499862287 /nfs/dbraw/zinc/86/22/87/499862287.db2.gz UAEHVWZFZIOVFL-KNKQGSTJSA-N 1 3 359.558 3.308 20 0 FGADHO FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCCNCC3)CCOCC2)c1 ZINC000415093480 499862819 /nfs/dbraw/zinc/86/28/19/499862819.db2.gz VIDUUFSDCRUNSJ-QGZVFWFLSA-N 1 3 356.432 3.485 20 0 FGADHO FC(F)(F)c1cccc(C2(CN[C@@H]3CCC[NH2+]CC3)CCOCC2)c1 ZINC000415093480 499862821 /nfs/dbraw/zinc/86/28/21/499862821.db2.gz VIDUUFSDCRUNSJ-QGZVFWFLSA-N 1 3 356.432 3.485 20 0 FGADHO FC(F)(F)c1cccc(CN2CCC([NH2+]C[C@@H]3CCCNC3)CC2)c1 ZINC000415105470 499864287 /nfs/dbraw/zinc/86/42/87/499864287.db2.gz MIERXSGZBPOXAL-MRXNPFEDSA-N 1 3 355.448 3.259 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314624 499885533 /nfs/dbraw/zinc/88/55/33/499885533.db2.gz XXMKRJZZPYQIQI-XLIONFOSSA-N 1 3 374.529 3.190 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415883500 499924034 /nfs/dbraw/zinc/92/40/34/499924034.db2.gz NRPDCDKMDVQFLH-XLIONFOSSA-N 1 3 358.530 3.354 20 0 FGADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000415888829 499924601 /nfs/dbraw/zinc/92/46/01/499924601.db2.gz ASWFWWBAEBPUTJ-LJQANCHMSA-N 1 3 372.900 3.410 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415890429 499924896 /nfs/dbraw/zinc/92/48/96/499924896.db2.gz DPIFEUQXRJJISL-UHFFFAOYSA-N 1 3 370.541 3.452 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000415916188 499927854 /nfs/dbraw/zinc/92/78/54/499927854.db2.gz BAAKPINVPZYSST-LJQANCHMSA-N 1 3 354.498 3.091 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000415926134 499929394 /nfs/dbraw/zinc/92/93/94/499929394.db2.gz CNYUQCWJTVEULY-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935990 499930435 /nfs/dbraw/zinc/93/04/35/499930435.db2.gz UTIPISIIULLJFF-OXJNMPFZSA-N 1 3 352.482 3.048 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000415938065 499930635 /nfs/dbraw/zinc/93/06/35/499930635.db2.gz XMVDSGJXSNTULJ-UHFFFAOYSA-N 1 3 360.527 3.453 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943774 499931396 /nfs/dbraw/zinc/93/13/96/499931396.db2.gz MZABMAJTFAVKPJ-LAUBAEHRSA-N 1 3 366.509 3.438 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415963881 499934394 /nfs/dbraw/zinc/93/43/94/499934394.db2.gz WKDLNUFPCRHYEZ-CVEARBPZSA-N 1 3 370.419 3.255 20 0 FGADHO C[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415971689 499935662 /nfs/dbraw/zinc/93/56/62/499935662.db2.gz GSBYBLLDRNOZSM-QGZVFWFLSA-N 1 3 352.482 3.274 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415978769 499936479 /nfs/dbraw/zinc/93/64/79/499936479.db2.gz YWRBGDZBGVDUBK-UHFFFAOYSA-N 1 3 372.435 3.406 20 0 FGADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000415997304 499939060 /nfs/dbraw/zinc/93/90/60/499939060.db2.gz OVPAXYIFSJSKOQ-MRXNPFEDSA-N 1 3 352.482 3.322 20 0 FGADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000415997304 499939062 /nfs/dbraw/zinc/93/90/62/499939062.db2.gz OVPAXYIFSJSKOQ-MRXNPFEDSA-N 1 3 352.482 3.322 20 0 FGADHO CN(C)C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235218 499989785 /nfs/dbraw/zinc/98/97/85/499989785.db2.gz SGDDTSQWNLFKJB-VQTJNVASSA-N 1 3 357.473 3.238 20 0 FGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000421320571 500015848 /nfs/dbraw/zinc/01/58/48/500015848.db2.gz PSTABNNPXIXBIW-UHFFFAOYSA-N 1 3 371.569 3.480 20 0 FGADHO CCn1nc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c2ccccc21 ZINC000421365280 500028639 /nfs/dbraw/zinc/02/86/39/500028639.db2.gz BAOASDPOXGJSTO-UHFFFAOYSA-N 1 3 369.557 3.048 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417391853 500058450 /nfs/dbraw/zinc/05/84/50/500058450.db2.gz OBWKYHIMZDMXRS-OAQYLSRUSA-N 1 3 368.525 3.261 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417393436 500058909 /nfs/dbraw/zinc/05/89/09/500058909.db2.gz QKCFIBDJNMWZSY-FQEVSTJZSA-N 1 3 360.546 3.231 20 0 FGADHO CN(CC[C@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435871 506173333 /nfs/dbraw/zinc/17/33/33/506173333.db2.gz KWBLWHMEGYEWST-NHCUHLMSSA-N 1 3 361.530 3.083 20 0 FGADHO CN(CC[C@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435871 506173335 /nfs/dbraw/zinc/17/33/35/506173335.db2.gz KWBLWHMEGYEWST-NHCUHLMSSA-N 1 3 361.530 3.083 20 0 FGADHO C[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413348 500073107 /nfs/dbraw/zinc/07/31/07/500073107.db2.gz UHZQBKIOWNUQTA-ROUUACIJSA-N 1 3 351.494 3.141 20 0 FGADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687611 500149510 /nfs/dbraw/zinc/14/95/10/500149510.db2.gz RMKVEBKEHBPEBD-IBGZPJMESA-N 1 3 374.573 3.276 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357403 506178808 /nfs/dbraw/zinc/17/88/08/506178808.db2.gz ASYNLOHSAVPSRG-CBQOVEMMSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357403 506178809 /nfs/dbraw/zinc/17/88/09/506178809.db2.gz ASYNLOHSAVPSRG-CBQOVEMMSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357403 506178811 /nfs/dbraw/zinc/17/88/11/506178811.db2.gz ASYNLOHSAVPSRG-CBQOVEMMSA-N 1 3 360.542 3.152 20 0 FGADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000416909347 500153542 /nfs/dbraw/zinc/15/35/42/500153542.db2.gz XUWYACBMPJHXCC-FQEVSTJZSA-N 1 3 358.530 3.004 20 0 FGADHO C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C(C)(C)n1cncn1 ZINC000570502728 506182657 /nfs/dbraw/zinc/18/26/57/506182657.db2.gz NRUCEDUBWQIOAQ-SFHVURJKSA-N 1 3 355.530 3.423 20 0 FGADHO CC1=C[C@@H](C)CN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260973 500217636 /nfs/dbraw/zinc/21/76/36/500217636.db2.gz IBCSBPKRLNGMRH-MJGOQNOKSA-N 1 3 355.526 3.054 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N(C)C)cc1 ZINC000422143433 500219725 /nfs/dbraw/zinc/21/97/25/500219725.db2.gz PORXESIALFMZDB-SOAGJPPSSA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418161128 500239689 /nfs/dbraw/zinc/23/96/89/500239689.db2.gz SNEFANTYKOIWJC-RTBURBONSA-N 1 3 360.546 3.104 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176938 500243352 /nfs/dbraw/zinc/24/33/52/500243352.db2.gz HLTKOQLGHKFABF-IEBWSBKVSA-N 1 3 366.937 3.103 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000418182724 500244290 /nfs/dbraw/zinc/24/42/90/500244290.db2.gz NGGRUTCXEWIKBG-YLJYHZDGSA-N 1 3 360.546 3.017 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)C ZINC000418182909 500244549 /nfs/dbraw/zinc/24/45/49/500244549.db2.gz NJVCOFLIOLPXHW-YYWHXJBOSA-N 1 3 372.557 3.160 20 0 FGADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1 ZINC000418190823 500246271 /nfs/dbraw/zinc/24/62/71/500246271.db2.gz JSBWUOOKJVIIKZ-CTNGQTDRSA-N 1 3 374.573 3.129 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)C ZINC000418193316 500246887 /nfs/dbraw/zinc/24/68/87/500246887.db2.gz ZIHWHGLNJQGYER-AZUAARDMSA-N 1 3 372.557 3.161 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(CC)CC)cc1 ZINC000418214906 500250709 /nfs/dbraw/zinc/25/07/09/500250709.db2.gz MIVHRRCMSQTLJH-UWJYYQICSA-N 1 3 374.573 3.401 20 0 FGADHO CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418343896 500265392 /nfs/dbraw/zinc/26/53/92/500265392.db2.gz RKKFDYPMJTXRBP-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418347722 500266599 /nfs/dbraw/zinc/26/65/99/500266599.db2.gz IVOUXZBCTNXQIF-FQEVSTJZSA-N 1 3 360.546 3.327 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418457126 500278719 /nfs/dbraw/zinc/27/87/19/500278719.db2.gz GNRMXFXHYSVELU-QGZVFWFLSA-N 1 3 368.525 3.500 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418481451 500282032 /nfs/dbraw/zinc/28/20/32/500282032.db2.gz CPSMAEBGLFSXIF-NRFANRHFSA-N 1 3 368.525 3.357 20 0 FGADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418512975 500286465 /nfs/dbraw/zinc/28/64/65/500286465.db2.gz FOMPYCRHWDAWDO-CZTZKLFOSA-N 1 3 372.557 3.243 20 0 FGADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422711622 500288559 /nfs/dbraw/zinc/28/85/59/500288559.db2.gz MZVJFTQXRBFXDD-GUDVDZBRSA-N 1 3 351.604 3.248 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726479 500290546 /nfs/dbraw/zinc/29/05/46/500290546.db2.gz DZBZZOXLJOHJFO-ZQIUZPCESA-N 1 3 357.420 3.271 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422726479 500290549 /nfs/dbraw/zinc/29/05/49/500290549.db2.gz DZBZZOXLJOHJFO-ZQIUZPCESA-N 1 3 357.420 3.271 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727632 500290697 /nfs/dbraw/zinc/29/06/97/500290697.db2.gz HQPYJPOMQZAHJQ-SZMVWBNQSA-N 1 3 355.448 3.387 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727632 500290701 /nfs/dbraw/zinc/29/07/01/500290701.db2.gz HQPYJPOMQZAHJQ-SZMVWBNQSA-N 1 3 355.448 3.387 20 0 FGADHO CSc1nnc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1CC(C)C ZINC000422734111 500291361 /nfs/dbraw/zinc/29/13/61/500291361.db2.gz RVPCAQKWUGBMIG-ZACQAIPSSA-N 1 3 365.591 3.099 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422730331 500291829 /nfs/dbraw/zinc/29/18/29/500291829.db2.gz MBWSTQBLJYRBNS-SJBKTWHCSA-N 1 3 369.484 3.274 20 0 FGADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760145 500295023 /nfs/dbraw/zinc/29/50/23/500295023.db2.gz GESGNLXGBJBWCI-NSISKUIASA-N 1 3 370.493 3.116 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418602541 500296041 /nfs/dbraw/zinc/29/60/41/500296041.db2.gz VUOBBTZYDYXNML-HLAWJBBLSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422790698 500298480 /nfs/dbraw/zinc/29/84/80/500298480.db2.gz PQSHXWIZJLASIT-MFMILTCTSA-N 1 3 356.441 3.439 20 0 FGADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422861163 500306890 /nfs/dbraw/zinc/30/68/90/500306890.db2.gz MJNCBOPJDIJAQH-HLAWJBBLSA-N 1 3 373.516 3.331 20 0 FGADHO CCOC(=O)C1([C@H](C)N[C@H]2CCSc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422909003 500315153 /nfs/dbraw/zinc/31/51/53/500315153.db2.gz FBHIRDKDXHGHJX-BBRMVZONSA-N 1 3 366.502 3.274 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@H]3CN)CC2)cs1 ZINC000422916092 500316127 /nfs/dbraw/zinc/31/61/27/500316127.db2.gz ZXVHSWMTJRILSK-WMZOPIPTSA-N 1 3 350.576 3.025 20 0 FGADHO Clc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422937749 500319984 /nfs/dbraw/zinc/31/99/84/500319984.db2.gz OOIDXBYUHZZLFV-IPMKNSEASA-N 1 3 352.906 3.246 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000431012855 500322857 /nfs/dbraw/zinc/32/28/57/500322857.db2.gz GTBZDOAVXKVCFI-MSOLQXFVSA-N 1 3 365.521 3.481 20 0 FGADHO CCc1noc(-c2ccc(CCN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422952798 500323468 /nfs/dbraw/zinc/32/34/68/500323468.db2.gz DJHANLPNESVEEY-OXQOHEQNSA-N 1 3 364.493 3.390 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2cc(Cl)sc2Cl)CC[NH2+]CC1 ZINC000422984895 500327279 /nfs/dbraw/zinc/32/72/79/500327279.db2.gz BOBBHULKJXXAQO-JTQLQIEISA-N 1 3 365.326 3.466 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423024547 500332448 /nfs/dbraw/zinc/33/24/48/500332448.db2.gz LYJBRPMLYYEUPB-SVIJTADQSA-N 1 3 360.452 3.223 20 0 FGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCCCC[C@@H]3[NH3+])nc12 ZINC000423036475 500333676 /nfs/dbraw/zinc/33/36/76/500333676.db2.gz LDDUMHZQKVKESC-JKSUJKDBSA-N 1 3 365.319 3.197 20 0 FGADHO Fc1ccccc1NCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423038423 500333811 /nfs/dbraw/zinc/33/38/11/500333811.db2.gz YSZPBZVZYQAWFF-TZIWHRDSSA-N 1 3 355.457 3.473 20 0 FGADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063376 500337412 /nfs/dbraw/zinc/33/74/12/500337412.db2.gz WGAYSOSXCRAHEA-RCCFBDPRSA-N 1 3 368.443 3.484 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423078487 500339475 /nfs/dbraw/zinc/33/94/75/500339475.db2.gz OPDZYFZSYJVQAJ-WMLDXEAASA-N 1 3 367.415 3.417 20 0 FGADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423077882 500339542 /nfs/dbraw/zinc/33/95/42/500339542.db2.gz NDCDVHCUXWCOIT-ARFHVFGLSA-N 1 3 357.420 3.380 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCCC[C@H]3C[NH3+])c2)n1 ZINC000423080922 500340113 /nfs/dbraw/zinc/34/01/13/500340113.db2.gz UAHIBGCPTYOQED-JKSUJKDBSA-N 1 3 359.495 3.204 20 0 FGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088070 500340483 /nfs/dbraw/zinc/34/04/83/500340483.db2.gz PJJWESIHSBROFK-QRTARXTBSA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088070 500340486 /nfs/dbraw/zinc/34/04/86/500340486.db2.gz PJJWESIHSBROFK-QRTARXTBSA-N 1 3 352.320 3.135 20 0 FGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088068 500340617 /nfs/dbraw/zinc/34/06/17/500340617.db2.gz PJJWESIHSBROFK-JLJPHGGASA-N 1 3 352.320 3.135 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423088068 500340619 /nfs/dbraw/zinc/34/06/19/500340619.db2.gz PJJWESIHSBROFK-JLJPHGGASA-N 1 3 352.320 3.135 20 0 FGADHO Cc1cc(CN[C@@H]2CC[NH2+]CC[C@H]2C)ccc1I ZINC000423101208 500342759 /nfs/dbraw/zinc/34/27/59/500342759.db2.gz VOPVBRAELJHASJ-IAQYHMDHSA-N 1 3 358.267 3.077 20 0 FGADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1OC ZINC000423128499 500345949 /nfs/dbraw/zinc/34/59/49/500345949.db2.gz DECXXNZOAFHFMK-RHSMWYFYSA-N 1 3 362.901 3.448 20 0 FGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423160680 500349984 /nfs/dbraw/zinc/34/99/84/500349984.db2.gz MOVLCBMVFYOPAZ-WBAXXEDZSA-N 1 3 369.347 3.158 20 0 FGADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423176385 500351817 /nfs/dbraw/zinc/35/18/17/500351817.db2.gz BZKIRKYKDHRXQN-CYBMUJFWSA-N 1 3 366.303 3.141 20 0 FGADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423204685 500354922 /nfs/dbraw/zinc/35/49/22/500354922.db2.gz ONIUUAXWIFVSBW-OAHLLOKOSA-N 1 3 360.727 3.048 20 0 FGADHO NC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000423387131 500369560 /nfs/dbraw/zinc/36/95/60/500369560.db2.gz HOZNTAUMGCHKHM-HSZRJFAPSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCC2 ZINC000423385468 500369725 /nfs/dbraw/zinc/36/97/25/500369725.db2.gz KRZBMBNSILSBCF-MLGOLLRUSA-N 1 3 361.477 3.114 20 0 FGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)CC3CCCCC3)cc21 ZINC000423415855 500373180 /nfs/dbraw/zinc/37/31/80/500373180.db2.gz BJOUCJNZBRLCKN-LJQANCHMSA-N 1 3 356.514 3.439 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431757352 500420581 /nfs/dbraw/zinc/42/05/81/500420581.db2.gz CBYOQCAPRPMXDG-OAQYLSRUSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431757352 500420582 /nfs/dbraw/zinc/42/05/82/500420582.db2.gz CBYOQCAPRPMXDG-OAQYLSRUSA-N 1 3 357.542 3.340 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC000431770861 500422501 /nfs/dbraw/zinc/42/25/01/500422501.db2.gz GXFJXWLWIBTQID-SFTDATJTSA-N 1 3 353.510 3.407 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302546 500437432 /nfs/dbraw/zinc/43/74/32/500437432.db2.gz MOMSUPLVGUHOHZ-IEBWSBKVSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302546 500437434 /nfs/dbraw/zinc/43/74/34/500437434.db2.gz MOMSUPLVGUHOHZ-IEBWSBKVSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302546 500437437 /nfs/dbraw/zinc/43/74/37/500437437.db2.gz MOMSUPLVGUHOHZ-IEBWSBKVSA-N 1 3 354.450 3.303 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303062 500437534 /nfs/dbraw/zinc/43/75/34/500437534.db2.gz NAJMPDCQGOHLHQ-SIKLNZKXSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2cccc(Cl)c2)cc1 ZINC000420316261 500440139 /nfs/dbraw/zinc/44/01/39/500440139.db2.gz NARNIVCLGGGFLH-PXNSSMCTSA-N 1 3 359.901 3.037 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883436 500442226 /nfs/dbraw/zinc/44/22/26/500442226.db2.gz CHXGZUZOQAFSGN-AEFFLSMTSA-N 1 3 351.560 3.420 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330553 500442524 /nfs/dbraw/zinc/44/25/24/500442524.db2.gz AUQXNJFNIZRBCA-NJYVYQBISA-N 1 3 355.526 3.062 20 0 FGADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Cc1ccccc1 ZINC000420327536 500442742 /nfs/dbraw/zinc/44/27/42/500442742.db2.gz DDDNFJGAKKKMTK-OYRHEFFESA-N 1 3 363.505 3.147 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331424 500443037 /nfs/dbraw/zinc/44/30/37/500443037.db2.gz BXORDXZSRLBSFW-PZBISTMVSA-N 1 3 357.542 3.136 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420374509 500450232 /nfs/dbraw/zinc/45/02/32/500450232.db2.gz HKHMAGINFYBWAD-RTWAWAEBSA-N 1 3 362.514 3.073 20 0 FGADHO Cc1c(Br)cccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420390502 500454261 /nfs/dbraw/zinc/45/42/61/500454261.db2.gz NRQMOIFLTKRXFI-SJLPKXTDSA-N 1 3 367.331 3.476 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000420390444 500454295 /nfs/dbraw/zinc/45/42/95/500454295.db2.gz NKEQZZSWKBVXQE-CRAIPNDOSA-N 1 3 372.431 3.303 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424272405 500479904 /nfs/dbraw/zinc/47/99/04/500479904.db2.gz UCPRCYKHJCEATD-PKOBYXMFSA-N 1 3 358.555 3.043 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274248 500480046 /nfs/dbraw/zinc/48/00/46/500480046.db2.gz YMVISCSHLIRNHT-YSVGVQOKSA-N 1 3 371.569 3.117 20 0 FGADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284225 500480927 /nfs/dbraw/zinc/48/09/27/500480927.db2.gz DCWQSOAKKUMYRV-OALUTQOASA-N 1 3 369.553 3.278 20 0 FGADHO CN1CCN(CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357151 500491110 /nfs/dbraw/zinc/49/11/10/500491110.db2.gz WCMDHOMNDNBIQK-SFHVURJKSA-N 1 3 358.555 3.043 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC000420782091 500500023 /nfs/dbraw/zinc/50/00/23/500500023.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCCN3C)cc2)C1 ZINC000420782091 500500025 /nfs/dbraw/zinc/50/00/25/500500025.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 1 3 372.557 3.154 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000424443265 500506764 /nfs/dbraw/zinc/50/67/64/500506764.db2.gz JYWGPSBSSAZFEO-APWZRJJASA-N 1 3 352.482 3.411 20 0 FGADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545248 /nfs/dbraw/zinc/54/52/48/500545248.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 1 3 360.546 3.069 20 0 FGADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545250 /nfs/dbraw/zinc/54/52/50/500545250.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 1 3 360.546 3.069 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Cl)cc3OC)CC2)CC1 ZINC000420974936 500545359 /nfs/dbraw/zinc/54/53/59/500545359.db2.gz FJWZIIDGAZWCGH-UHFFFAOYSA-N 1 3 365.949 3.341 20 0 FGADHO CCCOc1cccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1 ZINC000420978585 500546607 /nfs/dbraw/zinc/54/66/07/500546607.db2.gz JDFJBDSFXJOPRC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCOc1cccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000420978585 500546608 /nfs/dbraw/zinc/54/66/08/500546608.db2.gz JDFJBDSFXJOPRC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCOc1cccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000420978585 500546610 /nfs/dbraw/zinc/54/66/10/500546610.db2.gz JDFJBDSFXJOPRC-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546691 /nfs/dbraw/zinc/54/66/91/500546691.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO CCN1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546693 /nfs/dbraw/zinc/54/66/93/500546693.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCCOc3ccccc3)CC2)CC1 ZINC000420982028 500547118 /nfs/dbraw/zinc/54/71/18/500547118.db2.gz OFDVVCOOYBPKAL-UHFFFAOYSA-N 1 3 359.558 3.338 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCCOc3ccccc3)CC2)CC1 ZINC000420982028 500547119 /nfs/dbraw/zinc/54/71/19/500547119.db2.gz OFDVVCOOYBPKAL-UHFFFAOYSA-N 1 3 359.558 3.338 20 0 FGADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CNCc2ccccc21 ZINC000582400540 506202669 /nfs/dbraw/zinc/20/26/69/506202669.db2.gz CDVMDZDWWHEVQZ-FQEVSTJZSA-N 1 3 355.526 3.178 20 0 FGADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528251 500618143 /nfs/dbraw/zinc/61/81/43/500618143.db2.gz IGTYNURTHLBQNE-LEWJYISDSA-N 1 3 357.542 3.403 20 0 FGADHO CCn1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1=O ZINC000433082227 500623106 /nfs/dbraw/zinc/62/31/06/500623106.db2.gz JJZACOXGKIRLAF-MZADTFQBSA-N 1 3 351.494 3.153 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC000437350148 500634276 /nfs/dbraw/zinc/63/42/76/500634276.db2.gz XHRVQQFRDJLILD-QUCCMNQESA-N 1 3 373.541 3.040 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875296 500638105 /nfs/dbraw/zinc/63/81/05/500638105.db2.gz NVHQEPFGSXMZNY-CQSZACIVSA-N 1 3 359.436 3.262 20 0 FGADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061678 500671294 /nfs/dbraw/zinc/67/12/94/500671294.db2.gz SDKHHXHOHCYTBD-IERDGZPVSA-N 1 3 361.505 3.234 20 0 FGADHO CN1CCC(N(Cc2ccco2)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433344896 500677112 /nfs/dbraw/zinc/67/71/12/500677112.db2.gz VFJYWVWAQJOQJN-NRFANRHFSA-N 1 3 369.509 3.395 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215799 500734061 /nfs/dbraw/zinc/73/40/61/500734061.db2.gz ZTRHTDICBWLALF-FPOVZHCZSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000448215799 500734063 /nfs/dbraw/zinc/73/40/63/500734063.db2.gz ZTRHTDICBWLALF-FPOVZHCZSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1cccc(OC[C@@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443599569 500743910 /nfs/dbraw/zinc/74/39/10/500743910.db2.gz HAVRBLOHEFQFLI-NRFANRHFSA-N 1 3 360.542 3.323 20 0 FGADHO CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482299 500790903 /nfs/dbraw/zinc/79/09/03/500790903.db2.gz KSTXEWDGBMMXJK-QUCCMNQESA-N 1 3 357.542 3.134 20 0 FGADHO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000438482299 500790905 /nfs/dbraw/zinc/79/09/05/500790905.db2.gz KSTXEWDGBMMXJK-QUCCMNQESA-N 1 3 357.542 3.134 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1sccc1C ZINC000438912201 500834573 /nfs/dbraw/zinc/83/45/73/500834573.db2.gz NYNBHASONLZVLP-GOSISDBHSA-N 1 3 365.587 3.254 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1sccc1C ZINC000438912201 500834576 /nfs/dbraw/zinc/83/45/76/500834576.db2.gz NYNBHASONLZVLP-GOSISDBHSA-N 1 3 365.587 3.254 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000439253818 500874836 /nfs/dbraw/zinc/87/48/36/500874836.db2.gz BREWKAUWIWRUQI-QHAWAJNXSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@H]1[NH2+]CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@@H]1C ZINC000434673558 500877388 /nfs/dbraw/zinc/87/73/88/500877388.db2.gz QWJZBDKEDQMESD-QZTJIDSGSA-N 1 3 351.494 3.141 20 0 FGADHO Cc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1F ZINC000449022744 500901190 /nfs/dbraw/zinc/90/11/90/500901190.db2.gz ZOBVYKDGZRQSFL-UHFFFAOYSA-N 1 3 363.521 3.050 20 0 FGADHO C[C@@]1(CCc2ccccc2)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907444 500911086 /nfs/dbraw/zinc/91/10/86/500911086.db2.gz RRJAHLNXABIUMW-HSZRJFAPSA-N 1 3 369.553 3.074 20 0 FGADHO Cc1ccccc1-c1ccccc1C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000449134562 500932799 /nfs/dbraw/zinc/93/27/99/500932799.db2.gz KCOXBQUFIVIKRB-HXUWFJFHSA-N 1 3 365.521 3.339 20 0 FGADHO Cc1ccccc1-c1ccccc1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134562 500932802 /nfs/dbraw/zinc/93/28/02/500932802.db2.gz KCOXBQUFIVIKRB-HXUWFJFHSA-N 1 3 365.521 3.339 20 0 FGADHO Cc1ccccc1-c1ccccc1CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134562 500932805 /nfs/dbraw/zinc/93/28/05/500932805.db2.gz KCOXBQUFIVIKRB-HXUWFJFHSA-N 1 3 365.521 3.339 20 0 FGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000449227263 500952480 /nfs/dbraw/zinc/95/24/80/500952480.db2.gz UCKOZFDSVIDVNQ-FQEVSTJZSA-N 1 3 355.526 3.325 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4CC[C@@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373375 500961635 /nfs/dbraw/zinc/96/16/35/500961635.db2.gz MXQZLOGTJLXSRK-IEBWSBKVSA-N 1 3 364.493 3.391 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3CCC([C@H](C)[NH3+])CC3)c2C)cc1 ZINC000435374763 500962062 /nfs/dbraw/zinc/96/20/62/500962062.db2.gz YEIJQQLUTFZXSV-HNNXBMFYSA-N 1 3 356.514 3.116 20 0 FGADHO CC[NH2+]CC1CCN(Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000435374240 500962491 /nfs/dbraw/zinc/96/24/91/500962491.db2.gz XBLUFYXMTFVJGO-UHFFFAOYSA-N 1 3 360.454 3.050 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN1C1CCCC1 ZINC000440155786 500982253 /nfs/dbraw/zinc/98/22/53/500982253.db2.gz BLRIYTVCZOTABV-OAQYLSRUSA-N 1 3 355.526 3.306 20 0 FGADHO CCN(CCC(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630580 501004388 /nfs/dbraw/zinc/00/43/88/501004388.db2.gz XMSCNRYOCJETKQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCCNCC1 ZINC000435630580 501004390 /nfs/dbraw/zinc/00/43/90/501004390.db2.gz XMSCNRYOCJETKQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCCNCC1 ZINC000435630580 501004393 /nfs/dbraw/zinc/00/43/93/501004393.db2.gz XMSCNRYOCJETKQ-INIZCTEOSA-N 1 3 368.319 3.242 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449503958 501019386 /nfs/dbraw/zinc/01/93/86/501019386.db2.gz IOSCKZJGCLXOJQ-FYYLOGMGSA-N 1 3 371.569 3.105 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020583 /nfs/dbraw/zinc/02/05/83/501020583.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 1 3 371.569 3.378 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020584 /nfs/dbraw/zinc/02/05/84/501020584.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 1 3 371.569 3.378 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974211 501056825 /nfs/dbraw/zinc/05/68/25/501056825.db2.gz KFDYKBKFKFLZID-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000449687544 501063014 /nfs/dbraw/zinc/06/30/14/501063014.db2.gz PUYGFOVYMAPJAP-JOCHJYFZSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000449687544 501063018 /nfs/dbraw/zinc/06/30/18/501063018.db2.gz PUYGFOVYMAPJAP-JOCHJYFZSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582373 501137523 /nfs/dbraw/zinc/13/75/23/501137523.db2.gz XHFZWPROKMTOJX-GOSISDBHSA-N 1 3 368.525 3.433 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000446619624 501142877 /nfs/dbraw/zinc/14/28/77/501142877.db2.gz HTZJZRNWCIXOIK-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO CC1CCC(N2CCN(C(=O)NC3CCC(C[NH+](C)C)CC3)CC2)CC1 ZINC000441522097 501151165 /nfs/dbraw/zinc/15/11/65/501151165.db2.gz JJMJIBHFVRNEMP-UHFFFAOYSA-N 1 3 364.578 3.013 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000446750351 501160794 /nfs/dbraw/zinc/16/07/94/501160794.db2.gz GINSWFNGDNSHLI-WIYYLYMNSA-N 1 3 371.529 3.272 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000446840433 501172029 /nfs/dbraw/zinc/17/20/29/501172029.db2.gz YYRHHMWQJJAKCS-GHTZIAJQSA-N 1 3 371.529 3.128 20 0 FGADHO COc1ccc(Br)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446887101 501177568 /nfs/dbraw/zinc/17/75/68/501177568.db2.gz OASNYGABUGOQMK-UHFFFAOYSA-N 1 3 353.304 3.422 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239499 /nfs/dbraw/zinc/23/94/99/501239499.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 1 3 358.530 3.009 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239500 /nfs/dbraw/zinc/23/95/00/501239500.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 1 3 358.530 3.009 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3ccncn3)CC2)c1 ZINC000453059574 501260432 /nfs/dbraw/zinc/26/04/32/501260432.db2.gz BJOPYUBHWGVMDI-IBGZPJMESA-N 1 3 353.514 3.038 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087038 501265886 /nfs/dbraw/zinc/26/58/86/501265886.db2.gz VHNXDPRYCARPBN-MJUUVYJYSA-N 1 3 357.542 3.324 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087038 501265887 /nfs/dbraw/zinc/26/58/87/501265887.db2.gz VHNXDPRYCARPBN-MJUUVYJYSA-N 1 3 357.542 3.324 20 0 FGADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CO2 ZINC000453104261 501269452 /nfs/dbraw/zinc/26/94/52/501269452.db2.gz FLTVFKKPNOXVBP-FPOVZHCZSA-N 1 3 366.505 3.153 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276931 /nfs/dbraw/zinc/27/69/31/501276931.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276934 /nfs/dbraw/zinc/27/69/34/501276934.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 1 3 372.557 3.072 20 0 FGADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453250329 501299303 /nfs/dbraw/zinc/29/93/03/501299303.db2.gz HCZURQDIIOKPCM-GXRSIYKFSA-N 1 3 360.542 3.054 20 0 FGADHO Cc1cc(Br)c(CNCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000453596612 501357400 /nfs/dbraw/zinc/35/74/00/501357400.db2.gz XFNXXOGNBYVVDE-ZDUSSCGKSA-N 1 3 361.349 3.146 20 0 FGADHO Cc1cc(Br)c(CNCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000453596612 501357403 /nfs/dbraw/zinc/35/74/03/501357403.db2.gz XFNXXOGNBYVVDE-ZDUSSCGKSA-N 1 3 361.349 3.146 20 0 FGADHO CSC1(CNCc2cc(C)c(Br)cn2)CC[NH+](C)CC1 ZINC000598973363 506254867 /nfs/dbraw/zinc/25/48/67/506254867.db2.gz GAZABRHLLGZNHP-UHFFFAOYSA-N 1 3 358.349 3.070 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000458536497 501468733 /nfs/dbraw/zinc/46/87/33/501468733.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 1 3 372.557 3.154 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000458536497 501468736 /nfs/dbraw/zinc/46/87/36/501468736.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 1 3 372.557 3.154 20 0 FGADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000458578219 501478755 /nfs/dbraw/zinc/47/87/55/501478755.db2.gz QOFBQNVVICSSSY-MHJFOBGBSA-N 1 3 364.578 3.154 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000452730404 501552730 /nfs/dbraw/zinc/55/27/30/501552730.db2.gz MIZCBIZOKWPYEK-UHFFFAOYSA-N 1 3 357.542 3.278 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569337 /nfs/dbraw/zinc/56/93/37/501569337.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569340 /nfs/dbraw/zinc/56/93/40/501569340.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CC1(C)C[N@H+](CC2(O)CCOCC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017296 501602207 /nfs/dbraw/zinc/60/22/07/501602207.db2.gz NALWYTFSIHEKFX-OAQYLSRUSA-N 1 3 372.553 3.151 20 0 FGADHO CC1(C)C[N@@H+](CC2(O)CCOCC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017296 501602208 /nfs/dbraw/zinc/60/22/08/501602208.db2.gz NALWYTFSIHEKFX-OAQYLSRUSA-N 1 3 372.553 3.151 20 0 FGADHO CC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000459380970 501642705 /nfs/dbraw/zinc/64/27/05/501642705.db2.gz CKAKZZYXNIYYNP-JOCHJYFZSA-N 1 3 364.537 3.477 20 0 FGADHO Fc1cccc(-n2cccn2)c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459579510 501680603 /nfs/dbraw/zinc/68/06/03/501680603.db2.gz YRRHPELMTWQMHI-UHFFFAOYSA-N 1 3 351.429 3.165 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457483650 501707690 /nfs/dbraw/zinc/70/76/90/501707690.db2.gz GCCSWTSRMPZEEE-MRXNPFEDSA-N 1 3 366.575 3.305 20 0 FGADHO CO[C@@H]1CN(Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289164 501760265 /nfs/dbraw/zinc/76/02/65/501760265.db2.gz MCBDRGZJGUPVBR-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO CO[C@@H]1CN(Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289164 501760270 /nfs/dbraw/zinc/76/02/70/501760270.db2.gz MCBDRGZJGUPVBR-MOXQZVSFSA-N 1 3 360.542 3.400 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761718 /nfs/dbraw/zinc/76/17/18/501761718.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761724 /nfs/dbraw/zinc/76/17/24/501761724.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 1 3 361.505 3.027 20 0 FGADHO COC(=O)C(C)(C)CC[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000474594753 501886575 /nfs/dbraw/zinc/88/65/75/501886575.db2.gz BKZLHKMJZCHESP-UHFFFAOYSA-N 1 3 362.514 3.086 20 0 FGADHO CC[C@H](CNC(=O)c1ccccc1C[NH+](C)C)N1CCc2ccccc2C1 ZINC000485666026 501894083 /nfs/dbraw/zinc/89/40/83/501894083.db2.gz NMNVOAZRLZSGGD-OAQYLSRUSA-N 1 3 365.521 3.315 20 0 FGADHO O=C(CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895082 /nfs/dbraw/zinc/89/50/82/501895082.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 1 3 369.553 3.137 20 0 FGADHO O=C(CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895085 /nfs/dbraw/zinc/89/50/85/501895085.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 1 3 369.553 3.137 20 0 FGADHO Cc1ccccc1[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000475136460 502075353 /nfs/dbraw/zinc/07/53/53/502075353.db2.gz HSMCZQLKROVPTI-GMAHTHKFSA-N 1 3 365.521 3.455 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526054 502100318 /nfs/dbraw/zinc/10/03/18/502100318.db2.gz SMULXXFKAZXGSZ-HKUYNNGSSA-N 1 3 371.525 3.411 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526054 502100322 /nfs/dbraw/zinc/10/03/22/502100322.db2.gz SMULXXFKAZXGSZ-HKUYNNGSSA-N 1 3 371.525 3.411 20 0 FGADHO C[C@H](CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OCc1ccccc1 ZINC000475316822 502132426 /nfs/dbraw/zinc/13/24/26/502132426.db2.gz MIUZPPZPWVASJV-OAQYLSRUSA-N 1 3 373.585 3.331 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479074802 502156210 /nfs/dbraw/zinc/15/62/10/502156210.db2.gz AZJYRDBUCHXBDE-AZUAARDMSA-N 1 3 356.514 3.196 20 0 FGADHO CCN1CC[NH+](C[C@@H](C)CNc2ccnc3cc(F)c(OC)cc32)CC1 ZINC000479389687 502244040 /nfs/dbraw/zinc/24/40/40/502244040.db2.gz DYBQFKDSMVAJAU-HNNXBMFYSA-N 1 3 360.477 3.068 20 0 FGADHO CC(C)C[C@@]1(CO)CCCN1CCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000475718423 502263311 /nfs/dbraw/zinc/26/33/11/502263311.db2.gz YMBCFLZCDYKGLP-NHCUHLMSSA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)C[C@@]1(CO)CCCN1CCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000475718423 502263316 /nfs/dbraw/zinc/26/33/16/502263316.db2.gz YMBCFLZCDYKGLP-NHCUHLMSSA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000472192548 502264827 /nfs/dbraw/zinc/26/48/27/502264827.db2.gz OJTCCMIKNOWTRV-IRLDBZIGSA-N 1 3 357.542 3.087 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000472192548 502264832 /nfs/dbraw/zinc/26/48/32/502264832.db2.gz OJTCCMIKNOWTRV-IRLDBZIGSA-N 1 3 357.542 3.087 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269308 /nfs/dbraw/zinc/26/93/08/502269308.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 1 3 373.585 3.235 20 0 FGADHO C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014768 502274274 /nfs/dbraw/zinc/27/42/74/502274274.db2.gz NFVJGBPQOVDJRD-NRFANRHFSA-N 1 3 371.569 3.418 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311527 /nfs/dbraw/zinc/31/15/27/502311527.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311531 /nfs/dbraw/zinc/31/15/31/502311531.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 1 3 372.557 3.200 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103825 502360308 /nfs/dbraw/zinc/36/03/08/502360308.db2.gz OCAHUIGCEQBMAI-MSOLQXFVSA-N 1 3 366.575 3.113 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000465767552 502376762 /nfs/dbraw/zinc/37/67/62/502376762.db2.gz CAQCOZPQEZPJCQ-JZXOWHBKSA-N 1 3 366.575 3.161 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000479807955 502382972 /nfs/dbraw/zinc/38/29/72/502382972.db2.gz SGGXWVSWXUEDIX-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(CC)C1CC1 ZINC000465844100 502400238 /nfs/dbraw/zinc/40/02/38/502400238.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(CC)C1CC1 ZINC000465844100 502400244 /nfs/dbraw/zinc/40/02/44/502400244.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465914686 502425556 /nfs/dbraw/zinc/42/55/56/502425556.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465914686 502425559 /nfs/dbraw/zinc/42/55/59/502425559.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950159 502437787 /nfs/dbraw/zinc/43/77/87/502437787.db2.gz MBCBGCFRYRHKOY-CTNGQTDRSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950159 502437791 /nfs/dbraw/zinc/43/77/91/502437791.db2.gz MBCBGCFRYRHKOY-CTNGQTDRSA-N 1 3 374.573 3.156 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600117 502440488 /nfs/dbraw/zinc/44/04/88/502440488.db2.gz RIGDXDCBYZXZKF-FCHUYYIVSA-N 1 3 369.553 3.231 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600117 502440494 /nfs/dbraw/zinc/44/04/94/502440494.db2.gz RIGDXDCBYZXZKF-FCHUYYIVSA-N 1 3 369.553 3.231 20 0 FGADHO CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000476403964 502480480 /nfs/dbraw/zinc/48/04/80/502480480.db2.gz HEDLVLBPTYDESE-NRFANRHFSA-N 1 3 370.541 3.051 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473008197 502498774 /nfs/dbraw/zinc/49/87/74/502498774.db2.gz ILWVBCWLLWXCEE-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008197 502498780 /nfs/dbraw/zinc/49/87/80/502498780.db2.gz ILWVBCWLLWXCEE-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000469715507 502514093 /nfs/dbraw/zinc/51/40/93/502514093.db2.gz CDLQIHHQECTVLU-UHFFFAOYSA-N 1 3 357.498 3.325 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000480273264 502521944 /nfs/dbraw/zinc/52/19/44/502521944.db2.gz GSTHJDOKHGPSNV-FQEVSTJZSA-N 1 3 363.571 3.086 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000480273264 502521948 /nfs/dbraw/zinc/52/19/48/502521948.db2.gz GSTHJDOKHGPSNV-FQEVSTJZSA-N 1 3 363.571 3.086 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000466345191 502543457 /nfs/dbraw/zinc/54/34/57/502543457.db2.gz DRCJVDDEZCBWHV-VLCRHTCISA-N 1 3 372.553 3.328 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832658 502560888 /nfs/dbraw/zinc/56/08/88/502560888.db2.gz USCSYCVINAPZSP-RCLSDMTESA-N 1 3 357.542 3.371 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832658 502560894 /nfs/dbraw/zinc/56/08/94/502560894.db2.gz USCSYCVINAPZSP-RCLSDMTESA-N 1 3 357.542 3.371 20 0 FGADHO O=C(c1ccc(Nc2ccncc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484114539 502573242 /nfs/dbraw/zinc/57/32/42/502573242.db2.gz NTFJHSYYUOVQLO-UHFFFAOYSA-N 1 3 364.493 3.338 20 0 FGADHO CCC[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466233 502578070 /nfs/dbraw/zinc/57/80/70/502578070.db2.gz OZXURJNOBGRDCY-FQEVSTJZSA-N 1 3 357.542 3.411 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000484180881 502594985 /nfs/dbraw/zinc/59/49/85/502594985.db2.gz VDHRHSKDCFRYEK-HXUWFJFHSA-N 1 3 360.448 3.295 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C2CCCCC2)N(C)C)[C@@H](C)C1 ZINC000480722893 502652623 /nfs/dbraw/zinc/65/26/23/502652623.db2.gz QNTGHSFYMGXOOO-SESVDKBCSA-N 1 3 353.595 3.224 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000463063493 502681285 /nfs/dbraw/zinc/68/12/85/502681285.db2.gz GYFCKHFYWLZYAT-KRWDZBQOSA-N 1 3 364.534 3.006 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000463063493 502681286 /nfs/dbraw/zinc/68/12/86/502681286.db2.gz GYFCKHFYWLZYAT-KRWDZBQOSA-N 1 3 364.534 3.006 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000488311648 502682292 /nfs/dbraw/zinc/68/22/92/502682292.db2.gz NJVQPUKCGOSXCN-SFHVURJKSA-N 1 3 354.922 3.134 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115225 502699340 /nfs/dbraw/zinc/69/93/40/502699340.db2.gz XEINZEXEAUJLCV-RXVVDRJESA-N 1 3 354.494 3.200 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115225 502699343 /nfs/dbraw/zinc/69/93/43/502699343.db2.gz XEINZEXEAUJLCV-RXVVDRJESA-N 1 3 354.494 3.200 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499214 502732612 /nfs/dbraw/zinc/73/26/12/502732612.db2.gz NQPBZSHQGDKOOS-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000488499214 502732617 /nfs/dbraw/zinc/73/26/17/502732617.db2.gz NQPBZSHQGDKOOS-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488507091 502735325 /nfs/dbraw/zinc/73/53/25/502735325.db2.gz VWALLGMJVSPMFG-LVCYWYKZSA-N 1 3 372.557 3.010 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488507091 502735330 /nfs/dbraw/zinc/73/53/30/502735330.db2.gz VWALLGMJVSPMFG-LVCYWYKZSA-N 1 3 372.557 3.010 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000473886739 502738401 /nfs/dbraw/zinc/73/84/01/502738401.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000473886739 502738406 /nfs/dbraw/zinc/73/84/06/502738406.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000481177486 502774317 /nfs/dbraw/zinc/77/43/17/502774317.db2.gz ZYQQJFKTGLPRBY-GHTZIAJQSA-N 1 3 351.494 3.150 20 0 FGADHO O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000481207509 502783307 /nfs/dbraw/zinc/78/33/07/502783307.db2.gz XBKLAZBRLSQSBN-DENIHFKCSA-N 1 3 369.553 3.121 20 0 FGADHO CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531043 502806237 /nfs/dbraw/zinc/80/62/37/502806237.db2.gz UFCYTULZMLNSLF-NHCUHLMSSA-N 1 3 359.558 3.477 20 0 FGADHO CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531043 502806240 /nfs/dbraw/zinc/80/62/40/502806240.db2.gz UFCYTULZMLNSLF-NHCUHLMSSA-N 1 3 359.558 3.477 20 0 FGADHO CCN1CCN(c2ccccc2CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000513037285 502836267 /nfs/dbraw/zinc/83/62/67/502836267.db2.gz ROHMPPSSADLCER-JOCHJYFZSA-N 1 3 370.585 3.279 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500859612 502879832 /nfs/dbraw/zinc/87/98/32/502879832.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500859612 502879835 /nfs/dbraw/zinc/87/98/35/502879835.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 1 3 372.557 3.215 20 0 FGADHO CC(C)[NH+](CCN(C)C(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000505409394 502899985 /nfs/dbraw/zinc/89/99/85/502899985.db2.gz OWRZGAGVXCZUTB-UHFFFAOYSA-N 1 3 359.558 3.476 20 0 FGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000513331715 502906528 /nfs/dbraw/zinc/90/65/28/502906528.db2.gz VEGGHOXNVQLKGA-YLJYHZDGSA-N 1 3 361.530 3.374 20 0 FGADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025164 502914945 /nfs/dbraw/zinc/91/49/45/502914945.db2.gz YXOHGWOVJASNQB-OPYAIIAOSA-N 1 3 372.557 3.171 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000505545645 502931832 /nfs/dbraw/zinc/93/18/32/502931832.db2.gz VXSCMCCUHIFHKH-IBGZPJMESA-N 1 3 358.530 3.032 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000505545645 502931835 /nfs/dbraw/zinc/93/18/35/502931835.db2.gz VXSCMCCUHIFHKH-IBGZPJMESA-N 1 3 358.530 3.032 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568563 502937129 /nfs/dbraw/zinc/93/71/29/502937129.db2.gz MITDXJXSMNUFNB-XLAORIBOSA-N 1 3 364.534 3.223 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568563 502937131 /nfs/dbraw/zinc/93/71/31/502937131.db2.gz MITDXJXSMNUFNB-XLAORIBOSA-N 1 3 364.534 3.223 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163292 502952071 /nfs/dbraw/zinc/95/20/71/502952071.db2.gz MQBHUCXACLUQIA-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163292 502952074 /nfs/dbraw/zinc/95/20/74/502952074.db2.gz MQBHUCXACLUQIA-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCCN1CCC([N@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958069 /nfs/dbraw/zinc/95/80/69/502958069.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 1 3 358.574 3.005 20 0 FGADHO CCCN1CCC([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958073 /nfs/dbraw/zinc/95/80/73/502958073.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 1 3 358.574 3.005 20 0 FGADHO CCC[NH+]1CCC(N(C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958077 /nfs/dbraw/zinc/95/80/77/502958077.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 1 3 358.574 3.005 20 0 FGADHO CCn1c(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc2ccccc21 ZINC000505754040 502979073 /nfs/dbraw/zinc/97/90/73/502979073.db2.gz CFLDBAQAXZXJJM-IBGZPJMESA-N 1 3 370.541 3.149 20 0 FGADHO CCn1c(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc2ccccc21 ZINC000505754040 502979075 /nfs/dbraw/zinc/97/90/75/502979075.db2.gz CFLDBAQAXZXJJM-IBGZPJMESA-N 1 3 370.541 3.149 20 0 FGADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564841 502989304 /nfs/dbraw/zinc/98/93/04/502989304.db2.gz SPPVRPQLTQQWTD-ROUUACIJSA-N 1 3 364.578 3.203 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1csc2ccccc12 ZINC000505808430 502990823 /nfs/dbraw/zinc/99/08/23/502990823.db2.gz XKSCPWUVOINKTQ-SFHVURJKSA-N 1 3 373.566 3.318 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1csc2ccccc12 ZINC000505808430 502990830 /nfs/dbraw/zinc/99/08/30/502990830.db2.gz XKSCPWUVOINKTQ-SFHVURJKSA-N 1 3 373.566 3.318 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000513667336 502995263 /nfs/dbraw/zinc/99/52/63/502995263.db2.gz QNILEKZDSYCMRV-XIRDDKMYSA-N 1 3 350.890 3.464 20 0 FGADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513672838 502997415 /nfs/dbraw/zinc/99/74/15/502997415.db2.gz MRURYTRNUXNNCY-PWRODBHTSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513672838 502997421 /nfs/dbraw/zinc/99/74/21/502997421.db2.gz MRURYTRNUXNNCY-PWRODBHTSA-N 1 3 357.542 3.182 20 0 FGADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513672838 502997425 /nfs/dbraw/zinc/99/74/25/502997425.db2.gz MRURYTRNUXNNCY-PWRODBHTSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000513691997 503002106 /nfs/dbraw/zinc/00/21/06/503002106.db2.gz XJAPTCOEEOHPTK-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000513691997 503002109 /nfs/dbraw/zinc/00/21/09/503002109.db2.gz XJAPTCOEEOHPTK-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000513691997 503002111 /nfs/dbraw/zinc/00/21/11/503002111.db2.gz XJAPTCOEEOHPTK-NQDIBGKZSA-N 1 3 371.569 3.258 20 0 FGADHO CC(C)C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936285 503014307 /nfs/dbraw/zinc/01/43/07/503014307.db2.gz AWHIGIGMPDDPAN-AZUAARDMSA-N 1 3 363.521 3.130 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000501718879 503066600 /nfs/dbraw/zinc/06/66/00/503066600.db2.gz PMUABDHJYVLCGQ-WOJBJXKFSA-N 1 3 374.573 3.128 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000510350294 503097100 /nfs/dbraw/zinc/09/71/00/503097100.db2.gz HYTOHNGJUADXHJ-ROUUACIJSA-N 1 3 364.578 3.013 20 0 FGADHO COc1cc(N[C@@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067715 503103099 /nfs/dbraw/zinc/10/30/99/503103099.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 1 3 361.530 3.455 20 0 FGADHO COc1cc(N[C@@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067715 503103103 /nfs/dbraw/zinc/10/31/03/503103103.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 1 3 361.530 3.455 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000510405725 503107362 /nfs/dbraw/zinc/10/73/62/503107362.db2.gz GIAPDOSCNHVGCF-CVEARBPZSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000510405725 503107365 /nfs/dbraw/zinc/10/73/65/503107365.db2.gz GIAPDOSCNHVGCF-CVEARBPZSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@@H](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000501937403 503111752 /nfs/dbraw/zinc/11/17/52/503111752.db2.gz ICDJEOOCLDAGFK-BJLQDIEVSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000514215013 503115190 /nfs/dbraw/zinc/11/51/90/503115190.db2.gz QIALOZVRUDWJCJ-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000514215013 503115193 /nfs/dbraw/zinc/11/51/93/503115193.db2.gz QIALOZVRUDWJCJ-DYXWJJEUSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000514229588 503119556 /nfs/dbraw/zinc/11/95/56/503119556.db2.gz SGKVCCIUQJIBEK-ZWKOTPCHSA-N 1 3 364.578 3.203 20 0 FGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000514669221 503162626 /nfs/dbraw/zinc/16/26/26/503162626.db2.gz WPRRWOPYAWOOML-GGAORHGYSA-N 1 3 372.553 3.438 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000498358037 503167279 /nfs/dbraw/zinc/16/72/79/503167279.db2.gz CRRFXYHAPAKVRO-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000498358037 503167282 /nfs/dbraw/zinc/16/72/82/503167282.db2.gz CRRFXYHAPAKVRO-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490863247 503238059 /nfs/dbraw/zinc/23/80/59/503238059.db2.gz RMQJRWALIADXNC-ROUUACIJSA-N 1 3 372.557 3.058 20 0 FGADHO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000498721329 503248073 /nfs/dbraw/zinc/24/80/73/503248073.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000498721329 503248075 /nfs/dbraw/zinc/24/80/75/503248075.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 1 3 365.521 3.485 20 0 FGADHO C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CCN(C)CC1 ZINC000490987785 503256070 /nfs/dbraw/zinc/25/60/70/503256070.db2.gz MXZHDHGSDDAPQF-YLJYHZDGSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CCN(C)CC1 ZINC000490987785 503256073 /nfs/dbraw/zinc/25/60/73/503256073.db2.gz MXZHDHGSDDAPQF-YLJYHZDGSA-N 1 3 370.566 3.268 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839098 503285547 /nfs/dbraw/zinc/28/55/47/503285547.db2.gz MWAOSISFPJVSPH-LJQANCHMSA-N 1 3 372.557 3.298 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000502858420 503291013 /nfs/dbraw/zinc/29/10/13/503291013.db2.gz ACCSSHSDXMUFEC-IBGZPJMESA-N 1 3 358.530 3.021 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000502858420 503291018 /nfs/dbraw/zinc/29/10/18/503291018.db2.gz ACCSSHSDXMUFEC-IBGZPJMESA-N 1 3 358.530 3.021 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000502858421 503291064 /nfs/dbraw/zinc/29/10/64/503291064.db2.gz ACCSSHSDXMUFEC-LJQANCHMSA-N 1 3 358.530 3.021 20 0 FGADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000502858421 503291069 /nfs/dbraw/zinc/29/10/69/503291069.db2.gz ACCSSHSDXMUFEC-LJQANCHMSA-N 1 3 358.530 3.021 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412572 503316331 /nfs/dbraw/zinc/31/63/31/503316331.db2.gz DJUUFANDTLQGCK-QUCCMNQESA-N 1 3 374.573 3.317 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511412572 503316335 /nfs/dbraw/zinc/31/63/35/503316335.db2.gz DJUUFANDTLQGCK-QUCCMNQESA-N 1 3 374.573 3.317 20 0 FGADHO COc1ccccc1-c1ncc(CNCC2(SC)CC[NH+](C)CC2)cn1 ZINC000491592920 503322355 /nfs/dbraw/zinc/32/23/55/503322355.db2.gz ZVTRXOUXTFJMBD-UHFFFAOYSA-N 1 3 372.538 3.069 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)NCCN2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000511441900 503323295 /nfs/dbraw/zinc/32/32/95/503323295.db2.gz VMAJHGOKSKTSDQ-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)NCCN2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441900 503323298 /nfs/dbraw/zinc/32/32/98/503323298.db2.gz VMAJHGOKSKTSDQ-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000503109554 503348139 /nfs/dbraw/zinc/34/81/39/503348139.db2.gz JSKRRMXLOLLKEJ-IAGOWNOFSA-N 1 3 364.534 3.130 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359412 /nfs/dbraw/zinc/35/94/12/503359412.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 1 3 365.484 3.132 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359413 /nfs/dbraw/zinc/35/94/13/503359413.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 1 3 365.484 3.132 20 0 FGADHO C[C@H](NCCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503198181 503364726 /nfs/dbraw/zinc/36/47/26/503364726.db2.gz KKOJXQFTNANEIF-ROUUACIJSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@H](NCCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198181 503364732 /nfs/dbraw/zinc/36/47/32/503364732.db2.gz KKOJXQFTNANEIF-ROUUACIJSA-N 1 3 371.525 3.045 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000503198181 503364737 /nfs/dbraw/zinc/36/47/37/503364737.db2.gz KKOJXQFTNANEIF-ROUUACIJSA-N 1 3 371.525 3.045 20 0 FGADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)c2ccccc2C1 ZINC000493145032 503409887 /nfs/dbraw/zinc/40/98/87/503409887.db2.gz FOKQVKBWKYSAAK-JOCHJYFZSA-N 1 3 355.526 3.477 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000511903448 503412107 /nfs/dbraw/zinc/41/21/07/503412107.db2.gz AVAVAAOYCYRLMT-PMACEKPBSA-N 1 3 364.578 3.158 20 0 FGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000493734312 503442688 /nfs/dbraw/zinc/44/26/88/503442688.db2.gz FBMCRURXXHYDIJ-CVDCTZTESA-N 1 3 367.537 3.300 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512086745 503454182 /nfs/dbraw/zinc/45/41/82/503454182.db2.gz FZLIYBZXXKDELB-AWEZNQCLSA-N 1 3 374.392 3.497 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N(C)C ZINC000493924144 503459283 /nfs/dbraw/zinc/45/92/83/503459283.db2.gz BFEXLBNCVSPKIJ-ZJOUEHCJSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N(C)C ZINC000493924144 503459287 /nfs/dbraw/zinc/45/92/87/503459287.db2.gz BFEXLBNCVSPKIJ-ZJOUEHCJSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N2CCN(C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741727 503467566 /nfs/dbraw/zinc/46/75/66/503467566.db2.gz XURVCIDJSWBMDK-MOPGFXCFSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000494068574 503483167 /nfs/dbraw/zinc/48/31/67/503483167.db2.gz IPQMOTRXIDFPPZ-AZUAARDMSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000512247387 503497678 /nfs/dbraw/zinc/49/76/78/503497678.db2.gz YPKBKVVUYOMAFX-LPHOPBHVSA-N 1 3 365.477 3.132 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000516562182 503537351 /nfs/dbraw/zinc/53/73/51/503537351.db2.gz DCVVQSCPJKSAEY-CRGYJSLOSA-N 1 3 368.569 3.035 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562182 503537355 /nfs/dbraw/zinc/53/73/55/503537355.db2.gz DCVVQSCPJKSAEY-CRGYJSLOSA-N 1 3 368.569 3.035 20 0 FGADHO CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508702258 503546783 /nfs/dbraw/zinc/54/67/83/503546783.db2.gz VZWYJLQFLBFPFO-AKIFATBCSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702258 503546785 /nfs/dbraw/zinc/54/67/85/503546785.db2.gz VZWYJLQFLBFPFO-AKIFATBCSA-N 1 3 373.585 3.234 20 0 FGADHO CC(C)C[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702258 503546788 /nfs/dbraw/zinc/54/67/88/503546788.db2.gz VZWYJLQFLBFPFO-AKIFATBCSA-N 1 3 373.585 3.234 20 0 FGADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(OCc3ccccc3)C2)CC1 ZINC000494644641 503582055 /nfs/dbraw/zinc/58/20/55/503582055.db2.gz DBOJAQGPZBBZGC-LIKPIUCQSA-N 1 3 358.526 3.092 20 0 FGADHO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000508904937 503596562 /nfs/dbraw/zinc/59/65/62/503596562.db2.gz JFFCHSNOMKDSGC-CEWLAPEOSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000516839834 503597581 /nfs/dbraw/zinc/59/75/81/503597581.db2.gz KIKNGEARDVMJNX-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000516839834 503597582 /nfs/dbraw/zinc/59/75/82/503597582.db2.gz KIKNGEARDVMJNX-LJQANCHMSA-N 1 3 357.542 3.279 20 0 FGADHO CC1CC[NH+](C2CCC(NCc3cnc(-c4cnn(C)c4)nc3)CC2)CC1 ZINC000527238413 503734157 /nfs/dbraw/zinc/73/41/57/503734157.db2.gz CEUGUXOLGILKOX-UHFFFAOYSA-N 1 3 368.529 3.010 20 0 FGADHO CCn1nccc1CNCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000540325099 503737488 /nfs/dbraw/zinc/73/74/88/503737488.db2.gz WNMFUXKPOIIWKM-KDURUIRLSA-N 1 3 370.541 3.202 20 0 FGADHO CCn1nccc1CNCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000540325099 503737491 /nfs/dbraw/zinc/73/74/91/503737491.db2.gz WNMFUXKPOIIWKM-KDURUIRLSA-N 1 3 370.541 3.202 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394218 503757858 /nfs/dbraw/zinc/75/78/58/503757858.db2.gz JMUGMLJJFUJQQX-CEXWTWQISA-N 1 3 370.541 3.280 20 0 FGADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394218 503757862 /nfs/dbraw/zinc/75/78/62/503757862.db2.gz JMUGMLJJFUJQQX-CEXWTWQISA-N 1 3 370.541 3.280 20 0 FGADHO C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000543458985 503779934 /nfs/dbraw/zinc/77/99/34/503779934.db2.gz MOXOAXSVILINGN-IAGOWNOFSA-N 1 3 356.514 3.375 20 0 FGADHO C[C@@H](NCCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458985 503779939 /nfs/dbraw/zinc/77/99/39/503779939.db2.gz MOXOAXSVILINGN-IAGOWNOFSA-N 1 3 356.514 3.375 20 0 FGADHO C[C@@H](NCCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458985 503779943 /nfs/dbraw/zinc/77/99/43/503779943.db2.gz MOXOAXSVILINGN-IAGOWNOFSA-N 1 3 356.514 3.375 20 0 FGADHO Cc1ncc(CNCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021842 503780318 /nfs/dbraw/zinc/78/03/18/503780318.db2.gz PACOLBALHCVOQU-HDICACEKSA-N 1 3 368.525 3.084 20 0 FGADHO Cc1ncc(CNCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021842 503780323 /nfs/dbraw/zinc/78/03/23/503780323.db2.gz PACOLBALHCVOQU-HDICACEKSA-N 1 3 368.525 3.084 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693359 503808994 /nfs/dbraw/zinc/80/89/94/503808994.db2.gz PNNRHVCIOIFCHN-XMSQKQJNSA-N 1 3 369.553 3.025 20 0 FGADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000517693359 503808999 /nfs/dbraw/zinc/80/89/99/503808999.db2.gz PNNRHVCIOIFCHN-XMSQKQJNSA-N 1 3 369.553 3.025 20 0 FGADHO CCC1(CC)[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C[C@@H]1OC ZINC000540593489 503826630 /nfs/dbraw/zinc/82/66/30/503826630.db2.gz HHXLZMFUEHVHBA-OALUTQOASA-N 1 3 351.579 3.120 20 0 FGADHO CCC1(CC)[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C[C@@H]1OC ZINC000540593488 503826802 /nfs/dbraw/zinc/82/68/02/503826802.db2.gz HHXLZMFUEHVHBA-MOPGFXCFSA-N 1 3 351.579 3.120 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000537204301 503841731 /nfs/dbraw/zinc/84/17/31/503841731.db2.gz ISHDDWJJVRCZDO-ROUUACIJSA-N 1 3 370.541 3.285 20 0 FGADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293537 503871731 /nfs/dbraw/zinc/87/17/31/503871731.db2.gz WAKVCMYSRBYSSS-UONOGXRCSA-N 1 3 363.889 3.324 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527648047 503875461 /nfs/dbraw/zinc/87/54/61/503875461.db2.gz DDMPZBGNCHVMNR-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCC(=O)Nc1ccccn1 ZINC000537507065 503936644 /nfs/dbraw/zinc/93/66/44/503936644.db2.gz QCSABYRIEODSIL-UHFFFAOYSA-N 1 3 354.498 3.158 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCC(=O)Nc1ccccn1 ZINC000537507065 503936646 /nfs/dbraw/zinc/93/66/46/503936646.db2.gz QCSABYRIEODSIL-UHFFFAOYSA-N 1 3 354.498 3.158 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000533913239 503987864 /nfs/dbraw/zinc/98/78/64/503987864.db2.gz OEDDBIOVDNVPBP-UXHICEINSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527941412 504008540 /nfs/dbraw/zinc/00/85/40/504008540.db2.gz YVQOBGHOLOQULL-RYQLBKOJSA-N 1 3 366.431 3.487 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000518612075 504027510 /nfs/dbraw/zinc/02/75/10/504027510.db2.gz XDKZIKXXMYDSSW-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000530642147 504036130 /nfs/dbraw/zinc/03/61/30/504036130.db2.gz UJZZNVGXFQXVGG-HZPDHXFCSA-N 1 3 372.340 3.049 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000518776526 504060308 /nfs/dbraw/zinc/06/03/08/504060308.db2.gz BJBZDKNUOLVALG-UHFFFAOYSA-N 1 3 352.478 3.235 20 0 FGADHO OC1(C(F)(F)F)CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000537935626 504088348 /nfs/dbraw/zinc/08/83/48/504088348.db2.gz YZCPHBWVFKKWAH-UHFFFAOYSA-N 1 3 357.420 3.124 20 0 FGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963509 504104234 /nfs/dbraw/zinc/10/42/34/504104234.db2.gz AQBOOJGMZNMJCW-GMAHTHKFSA-N 1 3 368.521 3.293 20 0 FGADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000518963509 504104237 /nfs/dbraw/zinc/10/42/37/504104237.db2.gz AQBOOJGMZNMJCW-GMAHTHKFSA-N 1 3 368.521 3.293 20 0 FGADHO COc1ccccc1[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098107 504133327 /nfs/dbraw/zinc/13/33/27/504133327.db2.gz AMIBHMKXAGCKQX-WIYYLYMNSA-N 1 3 373.541 3.104 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000519223740 504169359 /nfs/dbraw/zinc/16/93/59/504169359.db2.gz RHKLEXFTJSEOJM-FZNQNYSPSA-N 1 3 363.468 3.028 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536714 504169692 /nfs/dbraw/zinc/16/96/92/504169692.db2.gz JJTIIAJFUZQRDC-NQIIRXRSSA-N 1 3 352.526 3.001 20 0 FGADHO c1ccc(CN2CCC[C@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191405 /nfs/dbraw/zinc/19/14/05/504191405.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 1 3 358.526 3.170 20 0 FGADHO c1ccc(CN2CCC[C@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191406 /nfs/dbraw/zinc/19/14/06/504191406.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 1 3 358.526 3.170 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000519343996 504198009 /nfs/dbraw/zinc/19/80/09/504198009.db2.gz MITDDNHYHDDHNC-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000544634771 504199952 /nfs/dbraw/zinc/19/99/52/504199952.db2.gz VFWHHZZMUUIINE-UWJYYQICSA-N 1 3 374.573 3.223 20 0 FGADHO C[NH+](C)CC1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCC1 ZINC000544701754 504225048 /nfs/dbraw/zinc/22/50/48/504225048.db2.gz RKDTYGQKVSODOX-HXUWFJFHSA-N 1 3 372.557 3.245 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461028 504234114 /nfs/dbraw/zinc/23/41/14/504234114.db2.gz ZOHZPMPQHBNOSX-HOCLYGCPSA-N 1 3 359.436 3.327 20 0 FGADHO COCC[N@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000534798740 504244327 /nfs/dbraw/zinc/24/43/27/504244327.db2.gz VHWITVMWAJJHDD-UWHLTILDSA-N 1 3 358.526 3.243 20 0 FGADHO COCC[N@@H+](C)CC[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000534798740 504244330 /nfs/dbraw/zinc/24/43/30/504244330.db2.gz VHWITVMWAJJHDD-UWHLTILDSA-N 1 3 358.526 3.243 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000541813184 504262038 /nfs/dbraw/zinc/26/20/38/504262038.db2.gz RTMILKMVBXWXRJ-QGZVFWFLSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)C[C@H](N[C@H](C)c1cnc2ccsc2c1)C(=O)NCC[NH+](C)C ZINC000538545662 504279579 /nfs/dbraw/zinc/27/95/79/504279579.db2.gz XXELZBKZSIRJEY-PBHICJAKSA-N 1 3 362.543 3.039 20 0 FGADHO CCN(CC)C(=O)[C@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967356 504296145 /nfs/dbraw/zinc/29/61/45/504296145.db2.gz VQNQGRHQQHKOTR-IBGZPJMESA-N 1 3 357.542 3.231 20 0 FGADHO CCN(CC)C(=O)[C@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967356 504296148 /nfs/dbraw/zinc/29/61/48/504296148.db2.gz VQNQGRHQQHKOTR-IBGZPJMESA-N 1 3 357.542 3.231 20 0 FGADHO CCN(CC)C(=O)[C@@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967357 504296827 /nfs/dbraw/zinc/29/68/27/504296827.db2.gz VQNQGRHQQHKOTR-LJQANCHMSA-N 1 3 357.542 3.231 20 0 FGADHO CCN(CC)C(=O)[C@@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967357 504296832 /nfs/dbraw/zinc/29/68/32/504296832.db2.gz VQNQGRHQQHKOTR-LJQANCHMSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535013335 504312673 /nfs/dbraw/zinc/31/26/73/504312673.db2.gz YQKQMLYIASTUEH-PXNSSMCTSA-N 1 3 365.949 3.067 20 0 FGADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985743 504324235 /nfs/dbraw/zinc/32/42/35/504324235.db2.gz LRNSJJQXYIGLAT-NJDAHSKKSA-N 1 3 355.570 3.282 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000528711117 504343331 /nfs/dbraw/zinc/34/33/31/504343331.db2.gz YCKIPRNPQHMMJE-IBGZPJMESA-N 1 3 372.513 3.087 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000528711117 504343336 /nfs/dbraw/zinc/34/33/36/504343336.db2.gz YCKIPRNPQHMMJE-IBGZPJMESA-N 1 3 372.513 3.087 20 0 FGADHO CCN1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814617 504350190 /nfs/dbraw/zinc/35/01/90/504350190.db2.gz GGVGWDABVCPQST-CQSZACIVSA-N 1 3 372.456 3.169 20 0 FGADHO CC1CCN([C@H](CNC(=O)C23CCC[NH+]2CCC3)c2ccccc2)CC1 ZINC000548412175 504435581 /nfs/dbraw/zinc/43/55/81/504435581.db2.gz SFWOOPYHMUOANB-HXUWFJFHSA-N 1 3 355.526 3.204 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3C)CC2)CC1 ZINC000520249374 504446924 /nfs/dbraw/zinc/44/69/24/504446924.db2.gz SSROXEPRLRZQOS-UHFFFAOYSA-N 1 3 359.514 3.138 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481468 504460327 /nfs/dbraw/zinc/46/03/27/504460327.db2.gz QOSYREVDWKXOMF-RXVVDRJESA-N 1 3 354.494 3.058 20 0 FGADHO Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000548482827 504461588 /nfs/dbraw/zinc/46/15/88/504461588.db2.gz GSTJVHNZHAEWDF-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000548482827 504461593 /nfs/dbraw/zinc/46/15/93/504461593.db2.gz GSTJVHNZHAEWDF-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482827 504461598 /nfs/dbraw/zinc/46/15/98/504461598.db2.gz GSTJVHNZHAEWDF-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(OCCO)cc1 ZINC000539069944 504463548 /nfs/dbraw/zinc/46/35/48/504463548.db2.gz AXBIKQKOVWSFOG-AVRDEDQJSA-N 1 3 354.494 3.058 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(OCCO)cc1 ZINC000539069944 504463552 /nfs/dbraw/zinc/46/35/52/504463552.db2.gz AXBIKQKOVWSFOG-AVRDEDQJSA-N 1 3 354.494 3.058 20 0 FGADHO Fc1ccc([C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000539200987 504496495 /nfs/dbraw/zinc/49/64/95/504496495.db2.gz JCLOUFRCROTDTD-JOCHJYFZSA-N 1 3 368.500 3.474 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539297100 504523230 /nfs/dbraw/zinc/52/32/30/504523230.db2.gz JLMKBCLTIABJCM-MRXNPFEDSA-N 1 3 358.448 3.320 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529079495 504523425 /nfs/dbraw/zinc/52/34/25/504523425.db2.gz TZCWXHWVLNMBRO-LJQANCHMSA-N 1 3 358.530 3.319 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529079495 504523430 /nfs/dbraw/zinc/52/34/30/504523430.db2.gz TZCWXHWVLNMBRO-LJQANCHMSA-N 1 3 358.530 3.319 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539307068 504524817 /nfs/dbraw/zinc/52/48/17/504524817.db2.gz NVZZJYNAJCQIAS-MAUKXSAKSA-N 1 3 351.922 3.169 20 0 FGADHO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000532212891 504574045 /nfs/dbraw/zinc/57/40/45/504574045.db2.gz LQUMOOFOHKGGDZ-IFMALSPDSA-N 1 3 372.484 3.164 20 0 FGADHO CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@H](N)c1ccccc1 ZINC000520771099 504578395 /nfs/dbraw/zinc/57/83/95/504578395.db2.gz PWKGVQTZVLOBLB-MRXNPFEDSA-N 1 3 358.511 3.275 20 0 FGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499897 504591274 /nfs/dbraw/zinc/59/12/74/504591274.db2.gz MVXWTLMGRCOVLG-VXKWHMMOSA-N 1 3 371.569 3.261 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542747284 504594214 /nfs/dbraw/zinc/59/42/14/504594214.db2.gz ZIPSYKIMASEBOM-ZWKOTPCHSA-N 1 3 366.594 3.259 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000542747284 504594220 /nfs/dbraw/zinc/59/42/20/504594220.db2.gz ZIPSYKIMASEBOM-ZWKOTPCHSA-N 1 3 366.594 3.259 20 0 FGADHO CN(CCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786724 504610782 /nfs/dbraw/zinc/61/07/82/504610782.db2.gz PZXOXJYLFLRHLO-OXQOHEQNSA-N 1 3 372.538 3.169 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447104 504655542 /nfs/dbraw/zinc/65/55/42/504655542.db2.gz NVNQZUYOEAJSCP-FQEVSTJZSA-N 1 3 359.558 3.260 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000549043096 504665686 /nfs/dbraw/zinc/66/56/86/504665686.db2.gz XZAGPQCCVIMPEH-SFHVURJKSA-N 1 3 366.347 3.054 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706150 /nfs/dbraw/zinc/70/61/50/504706150.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 1 3 371.569 3.479 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706156 /nfs/dbraw/zinc/70/61/56/504706156.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 1 3 371.569 3.479 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549206545 504723785 /nfs/dbraw/zinc/72/37/85/504723785.db2.gz KEOMSXLHOABBHM-FQEVSTJZSA-N 1 3 372.557 3.023 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549206545 504723789 /nfs/dbraw/zinc/72/37/89/504723789.db2.gz KEOMSXLHOABBHM-FQEVSTJZSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000521411458 504730429 /nfs/dbraw/zinc/73/04/29/504730429.db2.gz DWTJBTAODHMKOC-NJYVYQBISA-N 1 3 372.557 3.374 20 0 FGADHO CCOc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)cc1OC ZINC000529567637 504730473 /nfs/dbraw/zinc/73/04/73/504730473.db2.gz MJYPRMCOVPDXAV-INIZCTEOSA-N 1 3 350.478 3.397 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076802 504791548 /nfs/dbraw/zinc/79/15/48/504791548.db2.gz RKVKDQYKUCENBD-JKSUJKDBSA-N 1 3 357.473 3.217 20 0 FGADHO C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076802 504791551 /nfs/dbraw/zinc/79/15/51/504791551.db2.gz RKVKDQYKUCENBD-JKSUJKDBSA-N 1 3 357.473 3.217 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331313 504856146 /nfs/dbraw/zinc/85/61/46/504856146.db2.gz GOGGNUZMJZENOC-OAQYLSRUSA-N 1 3 369.557 3.029 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331313 504856149 /nfs/dbraw/zinc/85/61/49/504856149.db2.gz GOGGNUZMJZENOC-OAQYLSRUSA-N 1 3 369.557 3.029 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000549750989 504888357 /nfs/dbraw/zinc/88/83/57/504888357.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000549750989 504888360 /nfs/dbraw/zinc/88/83/60/504888360.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 1 3 363.571 3.341 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877593 505003427 /nfs/dbraw/zinc/00/34/27/505003427.db2.gz HNROKGJRKKYUAU-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877593 505003429 /nfs/dbraw/zinc/00/34/29/505003429.db2.gz HNROKGJRKKYUAU-QUCCMNQESA-N 1 3 361.493 3.440 20 0 FGADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000553770718 505004959 /nfs/dbraw/zinc/00/49/59/505004959.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 1 3 364.534 3.006 20 0 FGADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000553770718 505004961 /nfs/dbraw/zinc/00/49/61/505004961.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 1 3 364.534 3.006 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000556932254 505021980 /nfs/dbraw/zinc/02/19/80/505021980.db2.gz LUHFDNQQTOHWSV-PXNSSMCTSA-N 1 3 374.529 3.013 20 0 FGADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC(C)C ZINC000556963561 505032318 /nfs/dbraw/zinc/03/23/18/505032318.db2.gz PRTJBVYOZCBTHY-UYAOXDASSA-N 1 3 362.514 3.201 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060292 505036866 /nfs/dbraw/zinc/03/68/66/505036866.db2.gz CFRKZVZUHQEDBP-OALUTQOASA-N 1 3 357.523 3.134 20 0 FGADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563092024 505046058 /nfs/dbraw/zinc/04/60/58/505046058.db2.gz IHIMDTUOPDFTAT-FGZHOGPDSA-N 1 3 374.488 3.107 20 0 FGADHO CN(CCCN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccco1 ZINC000563240137 505085784 /nfs/dbraw/zinc/08/57/84/505085784.db2.gz BTBVBHRHQGJJKI-UHFFFAOYSA-N 1 3 369.509 3.470 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CCN(C)CC1 ZINC000566131807 505092109 /nfs/dbraw/zinc/09/21/09/505092109.db2.gz PPZIIDRTAMFNFW-YZVOILCLSA-N 1 3 352.906 3.019 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000566163460 505101637 /nfs/dbraw/zinc/10/16/37/505101637.db2.gz GMWYXZVPTCGMNJ-XOKHGSTOSA-N 1 3 371.447 3.203 20 0 FGADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505113019 /nfs/dbraw/zinc/11/30/19/505113019.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 1 3 369.553 3.377 20 0 FGADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505113023 /nfs/dbraw/zinc/11/30/23/505113023.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 1 3 369.553 3.377 20 0 FGADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528247 505115824 /nfs/dbraw/zinc/11/58/24/505115824.db2.gz OGWGOBDBGJONRX-MBDNFAEBSA-N 1 3 359.558 3.158 20 0 FGADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000560543233 505121126 /nfs/dbraw/zinc/12/11/26/505121126.db2.gz BGQTXQHKKUAKEA-WZPWBUNQSA-N 1 3 365.880 3.047 20 0 FGADHO COCCN1CC[C@@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247302 505122439 /nfs/dbraw/zinc/12/24/39/505122439.db2.gz LTABHDNWSCQATM-LJQANCHMSA-N 1 3 363.571 3.397 20 0 FGADHO COCCN1CC[C@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247301 505122654 /nfs/dbraw/zinc/12/26/54/505122654.db2.gz LTABHDNWSCQATM-IBGZPJMESA-N 1 3 363.571 3.397 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000551266882 505189228 /nfs/dbraw/zinc/18/92/28/505189228.db2.gz HATQIMSIXYZLJL-UNMCSNQZSA-N 1 3 359.558 3.444 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)C1 ZINC000560921081 505211407 /nfs/dbraw/zinc/21/14/07/505211407.db2.gz VVAXCPPZKBUQDX-HOJAQTOUSA-N 1 3 350.547 3.347 20 0 FGADHO COc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1OC(C)C ZINC000560979713 505221386 /nfs/dbraw/zinc/22/13/86/505221386.db2.gz PFYHGVQAZIYCII-QUCCMNQESA-N 1 3 362.514 3.201 20 0 FGADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000563936790 505281415 /nfs/dbraw/zinc/28/14/15/505281415.db2.gz LHJCRDSUQARYOA-BDTNDASRSA-N 1 3 363.505 3.318 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882171 505289251 /nfs/dbraw/zinc/28/92/51/505289251.db2.gz HPFOGKMJTSDKMM-INIZCTEOSA-N 1 3 364.534 3.283 20 0 FGADHO CC[C@H]([NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1)C(C)(C)C ZINC000561341628 505320035 /nfs/dbraw/zinc/32/00/35/505320035.db2.gz YHIDAMUDPBNOER-FQEVSTJZSA-N 1 3 359.558 3.490 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000552025916 505373571 /nfs/dbraw/zinc/37/35/71/505373571.db2.gz QCDCMRNSYTVJHL-IBGZPJMESA-N 1 3 373.928 3.477 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000555213824 505381062 /nfs/dbraw/zinc/38/10/62/505381062.db2.gz CAACIAMSRVPZFK-HXUWFJFHSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213824 505381065 /nfs/dbraw/zinc/38/10/65/505381065.db2.gz CAACIAMSRVPZFK-HXUWFJFHSA-N 1 3 374.573 3.269 20 0 FGADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552047640 505381359 /nfs/dbraw/zinc/38/13/59/505381359.db2.gz TWXVVTVUEWKMHB-AYZHRIAMSA-N 1 3 362.583 3.379 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233731 505386346 /nfs/dbraw/zinc/38/63/46/505386346.db2.gz FJWLWMPBTRPNLH-IOMROCGXSA-N 1 3 374.525 3.259 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233731 505386349 /nfs/dbraw/zinc/38/63/49/505386349.db2.gz FJWLWMPBTRPNLH-IOMROCGXSA-N 1 3 374.525 3.259 20 0 FGADHO CN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000552063730 505387168 /nfs/dbraw/zinc/38/71/68/505387168.db2.gz KMYHRXXUTPZXLN-QEXNXIHPSA-N 1 3 359.480 3.254 20 0 FGADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000567333358 505432488 /nfs/dbraw/zinc/43/24/88/505432488.db2.gz UHNGCKIEWCUJRV-GOSISDBHSA-N 1 3 370.497 3.141 20 0 FGADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552245005 505440068 /nfs/dbraw/zinc/44/00/68/505440068.db2.gz QBDLODSKGPQEED-YSFYHYPLSA-N 1 3 360.542 3.054 20 0 FGADHO O=C(C[NH2+]C1CCC(c2ccc(O)cc2)CC1)NCCN1CCCCCC1 ZINC000552279474 505449049 /nfs/dbraw/zinc/44/90/49/505449049.db2.gz MCFQGAMWWPNTDI-UHFFFAOYSA-N 1 3 373.541 3.000 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000561953250 505477150 /nfs/dbraw/zinc/47/71/50/505477150.db2.gz NHJNDDCAMNWKJA-WERVVEIQSA-N 1 3 357.542 3.276 20 0 FGADHO CN1CCN(CC2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000561976432 505483446 /nfs/dbraw/zinc/48/34/46/505483446.db2.gz FKAXGDNHVGNWPL-DHIUTWEWSA-N 1 3 355.570 3.456 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc(Cl)c3C)CC2)CC1 ZINC000567626269 505518713 /nfs/dbraw/zinc/51/87/13/505518713.db2.gz IRELSZNPNSVDLB-UHFFFAOYSA-N 1 3 364.921 3.178 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549655 /nfs/dbraw/zinc/54/96/55/505549655.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549656 /nfs/dbraw/zinc/54/96/56/505549656.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 1 3 357.542 3.150 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000552817735 505559618 /nfs/dbraw/zinc/55/96/18/505559618.db2.gz YSKCPRHPRZBPOA-HXUWFJFHSA-N 1 3 361.530 3.069 20 0 FGADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000552817735 505559620 /nfs/dbraw/zinc/55/96/20/505559620.db2.gz YSKCPRHPRZBPOA-HXUWFJFHSA-N 1 3 361.530 3.069 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000612186621 506477508 /nfs/dbraw/zinc/47/75/08/506477508.db2.gz FCOBCGPPKDDSCD-UHFFFAOYSA-N 1 3 372.557 3.088 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197651 506479271 /nfs/dbraw/zinc/47/92/71/506479271.db2.gz HYBQNCSIWOKXNA-MRXNPFEDSA-N 1 3 350.890 3.290 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000583033592 506553041 /nfs/dbraw/zinc/55/30/41/506553041.db2.gz JNYRKKYXVGKBJH-INIZCTEOSA-N 1 3 371.516 3.124 20 0 FGADHO COC(=O)c1ccc(Cl)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000589517625 506576410 /nfs/dbraw/zinc/57/64/10/506576410.db2.gz OEVYVGATXWHBRD-UHFFFAOYSA-N 1 3 356.919 3.044 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000604185207 506740544 /nfs/dbraw/zinc/74/05/44/506740544.db2.gz QUCPVRYPPIFTJE-HXUWFJFHSA-N 1 3 370.541 3.099 20 0 FGADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000590125587 506743777 /nfs/dbraw/zinc/74/37/77/506743777.db2.gz ASFPDUYKJZOYMV-OAHLLOKOSA-N 1 3 361.313 3.007 20 0 FGADHO COC(=O)c1oc(CNCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000597046478 506747918 /nfs/dbraw/zinc/74/79/18/506747918.db2.gz FQMPOCXBGQXIHH-UHFFFAOYSA-N 1 3 356.466 3.376 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092927 506772921 /nfs/dbraw/zinc/77/29/21/506772921.db2.gz SGXDGJYPJCYSOD-MOPGFXCFSA-N 1 3 359.558 3.176 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092927 506772932 /nfs/dbraw/zinc/77/29/32/506772932.db2.gz SGXDGJYPJCYSOD-MOPGFXCFSA-N 1 3 359.558 3.176 20 0 FGADHO COC(=O)c1cccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000583544858 506838135 /nfs/dbraw/zinc/83/81/35/506838135.db2.gz HLFZJOADRVLIOG-UHFFFAOYSA-N 1 3 368.481 3.002 20 0 FGADHO C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961965 507071976 /nfs/dbraw/zinc/07/19/76/507071976.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961965 507071983 /nfs/dbraw/zinc/07/19/83/507071983.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 1 3 357.542 3.135 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000591096978 507112935 /nfs/dbraw/zinc/11/29/35/507112935.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000591096978 507112942 /nfs/dbraw/zinc/11/29/42/507112942.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 1 3 357.542 3.409 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438018 507249094 /nfs/dbraw/zinc/24/90/94/507249094.db2.gz PEEOOHSQGLYUNB-YLJYHZDGSA-N 1 3 373.541 3.010 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)N(C)C)cc1 ZINC000591541847 507283369 /nfs/dbraw/zinc/28/33/69/507283369.db2.gz OGYUQDVZWNNZRD-LEWJYISDSA-N 1 3 374.573 3.271 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543852 507284104 /nfs/dbraw/zinc/28/41/04/507284104.db2.gz PTMJCEJKFJFBNL-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572871 507297560 /nfs/dbraw/zinc/29/75/60/507297560.db2.gz RCTRWABUPBKSKK-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601215109 507298538 /nfs/dbraw/zinc/29/85/38/507298538.db2.gz STWYCCIBNNRDEF-VQTJNVASSA-N 1 3 360.546 3.242 20 0 FGADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000594901605 507309560 /nfs/dbraw/zinc/30/95/60/507309560.db2.gz MNMSLCGCFUSACE-OAQYLSRUSA-N 1 3 370.541 3.321 20 0 FGADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000595064710 507374231 /nfs/dbraw/zinc/37/42/31/507374231.db2.gz AQIHLCNHBFLRKT-QGZVFWFLSA-N 1 3 361.530 3.251 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000607231427 507663112 /nfs/dbraw/zinc/66/31/12/507663112.db2.gz RXGLVBMWJRBLCR-VQTJNVASSA-N 1 3 372.557 3.167 20 0 FGADHO CCOC(=O)C1([C@@H](C)NC2(c3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000592470700 507669957 /nfs/dbraw/zinc/66/99/57/507669957.db2.gz DLDRSYVFAYKLPT-CQSZACIVSA-N 1 3 350.890 3.240 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054538 724385123 /nfs/dbraw/zinc/38/51/23/724385123.db2.gz PZIOUIUIJNMXGZ-KURKYZTESA-N 1 3 353.551 3.342 20 0 FGADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824539625 609147325 /nfs/dbraw/zinc/14/73/25/609147325.db2.gz OUPZBKVIMGEULX-ODIFPOPNSA-N 1 3 372.492 3.454 20 0 FGADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539625 609147327 /nfs/dbraw/zinc/14/73/27/609147327.db2.gz OUPZBKVIMGEULX-ODIFPOPNSA-N 1 3 372.492 3.454 20 0 FGADHO CN1CCC[N@H+](CCCNCc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092389656 700435437 /nfs/dbraw/zinc/43/54/37/700435437.db2.gz BUGLUFZAGRFUEQ-UHFFFAOYSA-N 1 3 364.965 3.057 20 0 FGADHO CN1CCC[N@@H+](CCCNCc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092389656 700435439 /nfs/dbraw/zinc/43/54/39/700435439.db2.gz BUGLUFZAGRFUEQ-UHFFFAOYSA-N 1 3 364.965 3.057 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000122169565 700685518 /nfs/dbraw/zinc/68/55/18/700685518.db2.gz PPLARWTXNPMCFK-FQEVSTJZSA-N 1 3 368.949 3.444 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000122169565 700685520 /nfs/dbraw/zinc/68/55/20/700685520.db2.gz PPLARWTXNPMCFK-FQEVSTJZSA-N 1 3 368.949 3.444 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000155727968 705089172 /nfs/dbraw/zinc/08/91/72/705089172.db2.gz ANFNZZJMHBVUMM-YOEHRIQHSA-N 1 3 353.963 3.493 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)cc1CN1CCCCC1 ZINC000183003487 705873428 /nfs/dbraw/zinc/87/34/28/705873428.db2.gz ILEQNMMQBNETII-TWOQFEAHSA-N 1 3 366.571 3.444 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000617505651 714663310 /nfs/dbraw/zinc/66/33/10/714663310.db2.gz LQJHZRFNHZSQNI-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000617505651 714663313 /nfs/dbraw/zinc/66/33/13/714663313.db2.gz LQJHZRFNHZSQNI-HNNXBMFYSA-N 1 3 353.938 3.006 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccsc2Br)C[C@@H](C)O1 ZINC000623424954 715333996 /nfs/dbraw/zinc/33/39/96/715333996.db2.gz LZQGFEHMGVMMLF-CHWSQXEVSA-N 1 3 361.349 3.490 20 0 FGADHO COCCC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1 ZINC000629520714 716303020 /nfs/dbraw/zinc/30/30/20/716303020.db2.gz HLALQVOMAXHSAJ-MRXNPFEDSA-N 1 3 371.319 3.014 20 0 FGADHO C[NH2+]CCOCCN[C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000629528785 716303613 /nfs/dbraw/zinc/30/36/13/716303613.db2.gz JCPFZRUPQFUJIA-GFCCVEGCSA-N 1 3 371.312 3.374 20 0 FGADHO C[NH2+]CCOCCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000629530401 716303867 /nfs/dbraw/zinc/30/38/67/716303867.db2.gz FXAIQRXEJHPNLZ-GOSISDBHSA-N 1 3 363.299 3.364 20 0 FGADHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1SC ZINC000629590810 716314471 /nfs/dbraw/zinc/31/44/71/716314471.db2.gz PZOSRUKQJKMOBA-QGZVFWFLSA-N 1 3 350.528 3.008 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734099 717111646 /nfs/dbraw/zinc/11/16/46/717111646.db2.gz WPXVYHHWCHGAMC-ZFWWWQNUSA-N 1 3 367.921 3.434 20 0 FGADHO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638654788 717472392 /nfs/dbraw/zinc/47/23/92/717472392.db2.gz GCEDGLSRRBWSGK-KBXCAEBGSA-N 1 3 354.922 3.241 20 0 FGADHO C[C@@H]1CNC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552317 718367461 /nfs/dbraw/zinc/36/74/61/718367461.db2.gz QSQBDQNYKQBWAQ-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000647552317 718367463 /nfs/dbraw/zinc/36/74/63/718367463.db2.gz QSQBDQNYKQBWAQ-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705341 718853343 /nfs/dbraw/zinc/85/33/43/718853343.db2.gz PJVKVXWEUVXDBU-WMLDXEAASA-N 1 3 353.913 3.330 20 0 FGADHO Clc1cnc(OCCNC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655733854 719331794 /nfs/dbraw/zinc/33/17/94/719331794.db2.gz SZWNRWMRSVHSFD-OAHLLOKOSA-N 1 3 374.312 3.000 20 0 FGADHO Cc1c(Br)cccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655799662 719341580 /nfs/dbraw/zinc/34/15/80/719341580.db2.gz LQXQUNPMCYKTME-QGZVFWFLSA-N 1 3 367.331 3.491 20 0 FGADHO Clc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000656786448 719471295 /nfs/dbraw/zinc/47/12/95/719471295.db2.gz MPJVPJUFUDMLQH-MRXNPFEDSA-N 1 3 359.905 3.132 20 0 FGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657366832 719634921 /nfs/dbraw/zinc/63/49/21/719634921.db2.gz KSBSNTHBQUSJBM-OKILXGFUSA-N 1 3 360.420 3.406 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294210 720411107 /nfs/dbraw/zinc/41/11/07/720411107.db2.gz CBBSOAQLHJLIQN-CRAIPNDOSA-N 1 3 363.933 3.229 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995501 721010873 /nfs/dbraw/zinc/01/08/73/721010873.db2.gz PIHRXCLRPWKALL-NVXWUHKLSA-N 1 3 363.933 3.341 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995207 721010944 /nfs/dbraw/zinc/01/09/44/721010944.db2.gz GHLWTRBSVNCJKX-YJBOKZPZSA-N 1 3 363.933 3.341 20 0 FGADHO Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1N ZINC001164908946 721721626 /nfs/dbraw/zinc/72/16/26/721721626.db2.gz ZUNIWZQXVXVYKD-LJQANCHMSA-N 1 3 373.451 3.105 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000675175625 721735480 /nfs/dbraw/zinc/73/54/80/721735480.db2.gz HCSMUKLGBHXCAC-IRXDYDNUSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1sccc1Br ZINC000675876417 721777229 /nfs/dbraw/zinc/77/72/29/721777229.db2.gz WRDXJSAQYHBQAR-CHWSQXEVSA-N 1 3 372.376 3.330 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(F)c(Cl)c3Cl)C2)CC1 ZINC000683340706 722291058 /nfs/dbraw/zinc/29/10/58/722291058.db2.gz FULRNMPLDRDXES-CYBMUJFWSA-N 1 3 360.304 3.391 20 0 FGADHO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)CN1CCCC1 ZINC000775204511 723970872 /nfs/dbraw/zinc/97/08/72/723970872.db2.gz SSXFHRCOBJQFLL-QZTJIDSGSA-N 1 3 367.331 3.337 20 0 FGADHO C[C@@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)N1CCCCC1 ZINC000788740756 725084787 /nfs/dbraw/zinc/08/47/87/725084787.db2.gz QRCOLXVVAYWHLX-INIZCTEOSA-N 1 3 351.535 3.240 20 0 FGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096363 /nfs/dbraw/zinc/09/63/63/725096363.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 1 3 351.535 3.194 20 0 FGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096366 /nfs/dbraw/zinc/09/63/66/725096366.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 1 3 351.535 3.194 20 0 FGADHO CN(CCCN(C)Cc1ccc(Cl)nc1C(F)(F)F)CC[NH+](C)C ZINC000808781643 725217253 /nfs/dbraw/zinc/21/72/53/725217253.db2.gz LACHTAIWNCFGQC-UHFFFAOYSA-N 1 3 366.859 3.069 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395536 729275598 /nfs/dbraw/zinc/27/55/98/729275598.db2.gz WZMJRIHOUVUGHK-OXQOHEQNSA-N 1 3 351.535 3.048 20 0 FGADHO C[C@H](CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000824332275 729330886 /nfs/dbraw/zinc/33/08/86/729330886.db2.gz HSCNBJSUQVVEAQ-QGZVFWFLSA-N 1 3 364.555 3.001 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389761 729335461 /nfs/dbraw/zinc/33/54/61/729335461.db2.gz SIFUMXWWOYJKMS-YLJYHZDGSA-N 1 3 351.535 3.051 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574112 729431925 /nfs/dbraw/zinc/43/19/25/729431925.db2.gz YAZLRDCONWFZEG-CJNGLKHVSA-N 1 3 366.937 3.060 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574112 729431926 /nfs/dbraw/zinc/43/19/26/729431926.db2.gz YAZLRDCONWFZEG-CJNGLKHVSA-N 1 3 366.937 3.060 20 0 FGADHO C[C@H](NC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074205 731225947 /nfs/dbraw/zinc/22/59/47/731225947.db2.gz GIPOAACIHYYRKW-YUTCNCBUSA-N 1 3 371.312 3.032 20 0 FGADHO CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000850456629 731358820 /nfs/dbraw/zinc/35/88/20/731358820.db2.gz ASXFINDMZTWGOE-VYMRPNJYSA-N 1 3 351.535 3.286 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2F)s1 ZINC000855345704 731920415 /nfs/dbraw/zinc/92/04/15/731920415.db2.gz GVPOLHAJUOSCOI-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2F)s1 ZINC000855345704 731920418 /nfs/dbraw/zinc/92/04/18/731920418.db2.gz GVPOLHAJUOSCOI-ZDUSSCGKSA-N 1 3 351.491 3.042 20 0 FGADHO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962274 732424816 /nfs/dbraw/zinc/42/48/16/732424816.db2.gz NJYKEXQDOUGRDS-KYJSFNMBSA-N 1 3 367.331 3.084 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025762 735577783 /nfs/dbraw/zinc/57/77/83/735577783.db2.gz SPABTKCTRWWJGC-UWWQBHOKSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025762 735577788 /nfs/dbraw/zinc/57/77/88/735577788.db2.gz SPABTKCTRWWJGC-UWWQBHOKSA-N 1 3 367.331 3.458 20 0 FGADHO CC[N@H+]1CC[C@H](CN[C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025762 735577791 /nfs/dbraw/zinc/57/77/91/735577791.db2.gz SPABTKCTRWWJGC-UWWQBHOKSA-N 1 3 367.331 3.458 20 0 FGADHO FC(F)(F)c1ccn(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873207550 735737974 /nfs/dbraw/zinc/73/79/74/735737974.db2.gz WHVMSNXLXZWIKC-UHFFFAOYSA-N 1 3 370.444 3.446 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cc2c(s1)CCC2 ZINC000873244003 735743318 /nfs/dbraw/zinc/74/33/18/735743318.db2.gz OTATXTPQJGDQJP-CYBMUJFWSA-N 1 3 353.495 3.127 20 0 FGADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712523 /nfs/dbraw/zinc/71/25/23/736712523.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712529 /nfs/dbraw/zinc/71/25/29/736712529.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO COCCCC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC000891845023 739942769 /nfs/dbraw/zinc/94/27/69/739942769.db2.gz LBVCZEVWYNQOTO-WOJBJXKFSA-N 1 3 351.579 3.074 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328289 742140825 /nfs/dbraw/zinc/14/08/25/742140825.db2.gz WPJQOLHVXQOXLA-RTBURBONSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328289 742140826 /nfs/dbraw/zinc/14/08/26/742140826.db2.gz WPJQOLHVXQOXLA-RTBURBONSA-N 1 3 350.478 3.250 20 0 FGADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000898074362 742742116 /nfs/dbraw/zinc/74/21/16/742742116.db2.gz RAFOQNHGKHDUMW-ZACQAIPSSA-N 1 3 351.535 3.379 20 0 FGADHO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H](N)CC(F)F)cc1OC ZINC000903904417 743894951 /nfs/dbraw/zinc/89/49/51/743894951.db2.gz UXYLDCOESVBJGD-HOTGVXAUSA-N 1 3 356.457 3.473 20 0 FGADHO COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H](N)CC(F)F)cc1OC ZINC000903904417 743894955 /nfs/dbraw/zinc/89/49/55/743894955.db2.gz UXYLDCOESVBJGD-HOTGVXAUSA-N 1 3 356.457 3.473 20 0 FGADHO Cc1c(C[C@@H](CN)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cnn1C ZINC000903923562 743897898 /nfs/dbraw/zinc/89/78/98/743897898.db2.gz XEYIYKWHKVTNBY-INIZCTEOSA-N 1 3 360.933 3.211 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387778 758910623 /nfs/dbraw/zinc/91/06/23/758910623.db2.gz AZHWGYVNEZNSNR-LUYZLQTOSA-N 1 3 362.461 3.336 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(C(F)(F)F)c1)C2 ZINC000922387778 758910627 /nfs/dbraw/zinc/91/06/27/758910627.db2.gz AZHWGYVNEZNSNR-LUYZLQTOSA-N 1 3 362.461 3.336 20 0 FGADHO C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1)N1CCN(C)CC1 ZINC000924963654 759423384 /nfs/dbraw/zinc/42/33/84/759423384.db2.gz GNQLBVNUQQBQID-OXQOHEQNSA-N 1 3 358.917 3.050 20 0 FGADHO CC(C)CCN1CCC([NH2+]CCNC(=O)c2ccccc2Cl)CC1 ZINC000925060342 759440747 /nfs/dbraw/zinc/44/07/47/759440747.db2.gz JEWJYJOYXCZALX-UHFFFAOYSA-N 1 3 351.922 3.170 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3ccccc3Br)C1)[NH2+]2 ZINC000925479968 759495398 /nfs/dbraw/zinc/49/53/98/759495398.db2.gz TVIOIFOAVAGBEW-NJNCZSALSA-N 1 3 364.331 3.146 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657371 759519828 /nfs/dbraw/zinc/51/98/28/759519828.db2.gz OBTKWTHJEVJQMM-QLKQHDGRSA-N 1 3 364.331 3.146 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC001024966719 766064401 /nfs/dbraw/zinc/06/44/01/766064401.db2.gz AFLGKIIXCYFIGP-KBAYOESNSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC001024966719 766064407 /nfs/dbraw/zinc/06/44/07/766064407.db2.gz AFLGKIIXCYFIGP-KBAYOESNSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CCN(C/C=C/Cl)CC3)C2)CC[N@@H+]1C ZINC001047243192 766632299 /nfs/dbraw/zinc/63/22/99/766632299.db2.gz XLTMUDFBSUNZER-UTUZXDLFSA-N 1 3 367.965 3.030 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CCN(C/C=C/Cl)CC3)C2)CC[N@H+]1C ZINC001047243192 766632311 /nfs/dbraw/zinc/63/23/11/766632311.db2.gz XLTMUDFBSUNZER-UTUZXDLFSA-N 1 3 367.965 3.030 20 0 FGADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(Br)c1 ZINC000573732002 505606748 /nfs/dbraw/zinc/60/67/48/505606748.db2.gz PPEDPOCTADVTBZ-UHFFFAOYSA-N 1 3 373.360 3.375 20 0 FGADHO CC(C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2ccccc2C1 ZINC000568153635 505628838 /nfs/dbraw/zinc/62/88/38/505628838.db2.gz PCZRILBTXWTPAD-JOCHJYFZSA-N 1 3 365.521 3.001 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902454 505647584 /nfs/dbraw/zinc/64/75/84/505647584.db2.gz VXTSTAGVBQPCSI-AZUAARDMSA-N 1 3 374.916 3.244 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])CC3CCCCC3)c(C)c2)CC1 ZINC000573910796 505648976 /nfs/dbraw/zinc/64/89/76/505648976.db2.gz YHNJRGRELJQYLC-HXUWFJFHSA-N 1 3 372.557 3.373 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568232978 505649005 /nfs/dbraw/zinc/64/90/05/505649005.db2.gz YPENEVSGUYBEOG-QFIPXVFZSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]CCCc2cnccc2C)CC1 ZINC000577145717 505673043 /nfs/dbraw/zinc/67/30/43/505673043.db2.gz HIBBTUONYYCQAZ-UHFFFAOYSA-N 1 3 366.553 3.250 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000076052096 493813931 /nfs/dbraw/zinc/81/39/31/493813931.db2.gz QGYLGWKEZCANNE-HXUWFJFHSA-N 1 3 360.546 3.195 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000069732898 494004628 /nfs/dbraw/zinc/00/46/28/494004628.db2.gz YHXFNWFSWDZHAF-UHFFFAOYSA-N 1 3 360.546 3.154 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2ccncc2)cc1F ZINC000568446144 505695391 /nfs/dbraw/zinc/69/53/91/505695391.db2.gz GFGDARSZDDWTQY-UHFFFAOYSA-N 1 3 370.516 3.346 20 0 FGADHO Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215889 494034680 /nfs/dbraw/zinc/03/46/80/494034680.db2.gz DZVQJAJTQUAZHU-CQSZACIVSA-N 1 3 364.440 3.192 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000077450499 494086325 /nfs/dbraw/zinc/08/63/25/494086325.db2.gz KNFIXAGNGQTMBT-UHFFFAOYSA-N 1 3 368.521 3.245 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145317 /nfs/dbraw/zinc/14/53/17/494145317.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145319 /nfs/dbraw/zinc/14/53/19/494145319.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+]1CCCCC1 ZINC000086238867 494145831 /nfs/dbraw/zinc/14/58/31/494145831.db2.gz FTGJQSSKWHBLHG-NRFANRHFSA-N 1 3 373.541 3.092 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000065468091 494200191 /nfs/dbraw/zinc/20/01/91/494200191.db2.gz RNQDWAYFLAUAIA-ICSRJNTNSA-N 1 3 360.546 3.019 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000088695294 494254975 /nfs/dbraw/zinc/25/49/75/494254975.db2.gz QQHBCNZIAYNRCL-XWSHUIEDSA-N 1 3 359.558 3.301 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717451 494264840 /nfs/dbraw/zinc/26/48/40/494264840.db2.gz IWFIVOHKZYDBIO-RXVVDRJESA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[NH+](CCNC(=O)NC1CCN(CCc2ccccc2)CC1)C(C)C ZINC000078435018 494296910 /nfs/dbraw/zinc/29/69/10/494296910.db2.gz AWVRAVFSIPBGOF-UHFFFAOYSA-N 1 3 374.573 3.112 20 0 FGADHO CCc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000066594169 494362608 /nfs/dbraw/zinc/36/26/08/494362608.db2.gz BXJLYCQEFJPPAG-GOSISDBHSA-N 1 3 371.550 3.298 20 0 FGADHO CCc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000066594169 494362612 /nfs/dbraw/zinc/36/26/12/494362612.db2.gz BXJLYCQEFJPPAG-GOSISDBHSA-N 1 3 371.550 3.298 20 0 FGADHO O=C1COc2ccccc2N1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090104619 494442188 /nfs/dbraw/zinc/44/21/88/494442188.db2.gz CWZBNQLTMIVHGJ-UHFFFAOYSA-N 1 3 371.525 3.189 20 0 FGADHO O=C1COc2ccccc2N1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000090104619 494442190 /nfs/dbraw/zinc/44/21/90/494442190.db2.gz CWZBNQLTMIVHGJ-UHFFFAOYSA-N 1 3 371.525 3.189 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCC2)cc1 ZINC000073919028 494449103 /nfs/dbraw/zinc/44/91/03/494449103.db2.gz POAAKTTYIJRNHP-QHAWAJNXSA-N 1 3 370.541 3.010 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCC2)cc1 ZINC000073919028 494449106 /nfs/dbraw/zinc/44/91/06/494449106.db2.gz POAAKTTYIJRNHP-QHAWAJNXSA-N 1 3 370.541 3.010 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000045757620 494458123 /nfs/dbraw/zinc/45/81/23/494458123.db2.gz RZCVWJFNAPXRAO-IBGZPJMESA-N 1 3 372.557 3.133 20 0 FGADHO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(OCCN(C)C)cc1 ZINC000090409424 494463080 /nfs/dbraw/zinc/46/30/80/494463080.db2.gz PWNTZNUNLABMMF-OAHLLOKOSA-N 1 3 363.889 3.405 20 0 FGADHO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(OCCN(C)C)cc1 ZINC000090408556 494463658 /nfs/dbraw/zinc/46/36/58/494463658.db2.gz ZMOXMMVSGYQHFP-HNNXBMFYSA-N 1 3 363.889 3.405 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522590 494478067 /nfs/dbraw/zinc/47/80/67/494478067.db2.gz XNXJQTMHZPCMCP-MNEFBYGVSA-N 1 3 362.514 3.122 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000056523125 494519729 /nfs/dbraw/zinc/51/97/29/494519729.db2.gz LBDFBFJPIBFESN-FQEVSTJZSA-N 1 3 356.510 3.243 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333554 494584641 /nfs/dbraw/zinc/58/46/41/494584641.db2.gz FQHGIUBUGQGDIK-AZUAARDMSA-N 1 3 361.505 3.234 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333554 494584644 /nfs/dbraw/zinc/58/46/44/494584644.db2.gz FQHGIUBUGQGDIK-AZUAARDMSA-N 1 3 361.505 3.234 20 0 FGADHO C[C@@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000121083310 494587235 /nfs/dbraw/zinc/58/72/35/494587235.db2.gz ZDOKYPSUNMNQAS-GOSISDBHSA-N 1 3 374.573 3.269 20 0 FGADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000131390562 494603112 /nfs/dbraw/zinc/60/31/12/494603112.db2.gz RPRUMMSYUGTOBC-UHFFFAOYSA-N 1 3 351.922 3.266 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000080166443 494621671 /nfs/dbraw/zinc/62/16/71/494621671.db2.gz ONZNUTMCLJUZJK-NQIIRXRSSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057137799 494653027 /nfs/dbraw/zinc/65/30/27/494653027.db2.gz DWVPYMPGCQZDDJ-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057137799 494653034 /nfs/dbraw/zinc/65/30/34/494653034.db2.gz DWVPYMPGCQZDDJ-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616917 494748750 /nfs/dbraw/zinc/74/87/50/494748750.db2.gz PELLDUHGPMFAFK-AEFFLSMTSA-N 1 3 356.514 3.006 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080616917 494748753 /nfs/dbraw/zinc/74/87/53/494748753.db2.gz PELLDUHGPMFAFK-AEFFLSMTSA-N 1 3 356.514 3.006 20 0 FGADHO CC[C@H]1CCCCN1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821091 494763709 /nfs/dbraw/zinc/76/37/09/494763709.db2.gz HOSYXGIKTXENQN-FQEVSTJZSA-N 1 3 372.557 3.411 20 0 FGADHO C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000075490925 494776370 /nfs/dbraw/zinc/77/63/70/494776370.db2.gz UUMWYWBBAAOHMX-LJQANCHMSA-N 1 3 365.521 3.485 20 0 FGADHO Cc1ccc(CN(C(=O)CN2CCC(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000121625271 494824356 /nfs/dbraw/zinc/82/43/56/494824356.db2.gz MPXZFDRIAYORDM-UHFFFAOYSA-N 1 3 357.542 3.150 20 0 FGADHO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132708 494830368 /nfs/dbraw/zinc/83/03/68/494830368.db2.gz VPUHWHBIKLCPFO-OAQYLSRUSA-N 1 3 368.500 3.100 20 0 FGADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132708 494830374 /nfs/dbraw/zinc/83/03/74/494830374.db2.gz VPUHWHBIKLCPFO-OAQYLSRUSA-N 1 3 368.500 3.100 20 0 FGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000121669152 494834415 /nfs/dbraw/zinc/83/44/15/494834415.db2.gz XTSJLGMJHIWRGA-MBDNFAEBSA-N 1 3 354.538 3.488 20 0 FGADHO CN(c1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000093597719 494902893 /nfs/dbraw/zinc/90/28/93/494902893.db2.gz GENTWLYOYKHBJC-HXUWFJFHSA-N 1 3 370.585 3.135 20 0 FGADHO CCn1nc(C)c(CN2CCC(CCC[N@H+](C)CCOC)CC2)c1C ZINC000093769427 494919327 /nfs/dbraw/zinc/91/93/27/494919327.db2.gz GYTSDFVJRGJMKF-UHFFFAOYSA-N 1 3 350.551 3.090 20 0 FGADHO CCn1nc(C)c(CN2CCC(CCC[N@@H+](C)CCOC)CC2)c1C ZINC000093769427 494919329 /nfs/dbraw/zinc/91/93/29/494919329.db2.gz GYTSDFVJRGJMKF-UHFFFAOYSA-N 1 3 350.551 3.090 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927480 /nfs/dbraw/zinc/92/74/80/494927480.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 1 3 357.542 3.473 20 0 FGADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927483 /nfs/dbraw/zinc/92/74/83/494927483.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 1 3 357.542 3.473 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000132929150 494944596 /nfs/dbraw/zinc/94/45/96/494944596.db2.gz FLOSXRMRYUVEMV-CABCVRRESA-N 1 3 354.441 3.440 20 0 FGADHO Cc1csc(N2CCC([NH2+]Cc3ccccc3OCCN(C)C)CC2)n1 ZINC000122298118 494953786 /nfs/dbraw/zinc/95/37/86/494953786.db2.gz XZKDDNKVMMWTBT-UHFFFAOYSA-N 1 3 374.554 3.151 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000097257385 495029442 /nfs/dbraw/zinc/02/94/42/495029442.db2.gz PKJUANWNFKVJOR-QGZVFWFLSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000097257385 495029444 /nfs/dbraw/zinc/02/94/44/495029444.db2.gz PKJUANWNFKVJOR-QGZVFWFLSA-N 1 3 360.546 3.058 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCC2)C1 ZINC000123025750 495068964 /nfs/dbraw/zinc/06/89/64/495068964.db2.gz NLJQUOARXJWOLB-SFHVURJKSA-N 1 3 355.526 3.032 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C1CC1 ZINC000119529324 495183785 /nfs/dbraw/zinc/18/37/85/495183785.db2.gz LQUVSDMJUJFQJH-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C1CC1 ZINC000119529324 495183788 /nfs/dbraw/zinc/18/37/88/495183788.db2.gz LQUVSDMJUJFQJH-QZTJIDSGSA-N 1 3 364.578 3.155 20 0 FGADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119695198 495220764 /nfs/dbraw/zinc/22/07/64/495220764.db2.gz DGAFEDINOUWMMK-CTNGQTDRSA-N 1 3 351.494 3.057 20 0 FGADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119695198 495220769 /nfs/dbraw/zinc/22/07/69/495220769.db2.gz DGAFEDINOUWMMK-CTNGQTDRSA-N 1 3 351.494 3.057 20 0 FGADHO CN(C)[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112751076 495236570 /nfs/dbraw/zinc/23/65/70/495236570.db2.gz XEZJMDNSYBSBBS-OAQYLSRUSA-N 1 3 372.557 3.298 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000577647426 505770243 /nfs/dbraw/zinc/77/02/43/505770243.db2.gz NUFVKICSYQTQBW-PGRDOPGGSA-N 1 3 365.521 3.184 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCCCN1CCCCC1 ZINC000120085827 495304305 /nfs/dbraw/zinc/30/43/05/495304305.db2.gz KCBFQWORLNIAEU-GOSISDBHSA-N 1 3 352.544 3.095 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1F ZINC000124658944 495323659 /nfs/dbraw/zinc/32/36/59/495323659.db2.gz KSJAMLKFQIXLKO-QGZVFWFLSA-N 1 3 363.521 3.435 20 0 FGADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000124707869 495331053 /nfs/dbraw/zinc/33/10/53/495331053.db2.gz PPRFQTCKYFSKKE-GOSISDBHSA-N 1 3 373.541 3.059 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000105207658 495345311 /nfs/dbraw/zinc/34/53/11/495345311.db2.gz XUMWZJWITGVEQF-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000105207658 495345313 /nfs/dbraw/zinc/34/53/13/495345313.db2.gz XUMWZJWITGVEQF-FPOVZHCZSA-N 1 3 372.557 3.163 20 0 FGADHO CCCc1cc(N2CC[C@@H](N3CCN(CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124870033 495357028 /nfs/dbraw/zinc/35/70/28/495357028.db2.gz SMNBFDAQVINVIL-LJQANCHMSA-N 1 3 352.526 3.404 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000114456386 495376840 /nfs/dbraw/zinc/37/68/40/495376840.db2.gz MFEJOLPFRPLWDK-HXUWFJFHSA-N 1 3 357.542 3.245 20 0 FGADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000120482566 495388718 /nfs/dbraw/zinc/38/87/18/495388718.db2.gz FZEHTPARLUZSQX-HOTGVXAUSA-N 1 3 358.530 3.259 20 0 FGADHO CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507753 495394273 /nfs/dbraw/zinc/39/42/73/495394273.db2.gz PGKCDYYKONEVNO-NRFANRHFSA-N 1 3 359.558 3.319 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000130611153 495418887 /nfs/dbraw/zinc/41/88/87/495418887.db2.gz JLXUFHILYOPMET-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000130611153 495418891 /nfs/dbraw/zinc/41/88/91/495418891.db2.gz JLXUFHILYOPMET-CTNGQTDRSA-N 1 3 372.557 3.163 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000125409751 495440107 /nfs/dbraw/zinc/44/01/07/495440107.db2.gz RFTMEXBLIQFFGY-VWEINGBSSA-N 1 3 372.557 3.069 20 0 FGADHO FC(F)CN1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000125480926 495451357 /nfs/dbraw/zinc/45/13/57/495451357.db2.gz RDFGXTZULFMVBP-UHFFFAOYSA-N 1 3 357.514 3.279 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000130852995 495456027 /nfs/dbraw/zinc/45/60/27/495456027.db2.gz KYNXRPAZAXPIHS-NRFANRHFSA-N 1 3 374.573 3.128 20 0 FGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000130852995 495456033 /nfs/dbraw/zinc/45/60/33/495456033.db2.gz KYNXRPAZAXPIHS-NRFANRHFSA-N 1 3 374.573 3.128 20 0 FGADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125513978 495456789 /nfs/dbraw/zinc/45/67/89/495456789.db2.gz GMEYGSADYQGXPH-INIZCTEOSA-N 1 3 351.560 3.197 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902610 495464210 /nfs/dbraw/zinc/46/42/10/495464210.db2.gz WGPOZFVBWYLUJD-NRFANRHFSA-N 1 3 369.553 3.303 20 0 FGADHO COCc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)o1 ZINC000125728845 495489111 /nfs/dbraw/zinc/48/91/11/495489111.db2.gz OUMFRCMIYLQIIW-UHFFFAOYSA-N 1 3 357.498 3.118 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125895006 495515166 /nfs/dbraw/zinc/51/51/66/495515166.db2.gz HVZCQQWSXVBPAK-KGLIPLIRSA-N 1 3 372.326 3.265 20 0 FGADHO C[C@@H](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182448258 495568983 /nfs/dbraw/zinc/56/89/83/495568983.db2.gz CSRKWSKGUQLVTH-IBGZPJMESA-N 1 3 372.557 3.215 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154326699 495582581 /nfs/dbraw/zinc/58/25/81/495582581.db2.gz QCZNUXWJBVBMAV-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1Br ZINC000154360741 495592810 /nfs/dbraw/zinc/59/28/10/495592810.db2.gz HATOLEAKYXJNJB-HNNXBMFYSA-N 1 3 354.336 3.127 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555513 495613187 /nfs/dbraw/zinc/61/31/87/495613187.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN(C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555513 495613190 /nfs/dbraw/zinc/61/31/90/495613190.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568858008 505795028 /nfs/dbraw/zinc/79/50/28/505795028.db2.gz YREKXBIURKFRAE-UEXGIBASSA-N 1 3 374.550 3.469 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568858008 505795032 /nfs/dbraw/zinc/79/50/32/505795032.db2.gz YREKXBIURKFRAE-UEXGIBASSA-N 1 3 374.550 3.469 20 0 FGADHO C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185751400 495709792 /nfs/dbraw/zinc/70/97/92/495709792.db2.gz PWGWUPIOVBYTFS-LMMKCTJWSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751400 495709795 /nfs/dbraw/zinc/70/97/95/495709795.db2.gz PWGWUPIOVBYTFS-LMMKCTJWSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000185751400 495709799 /nfs/dbraw/zinc/70/97/99/495709799.db2.gz PWGWUPIOVBYTFS-LMMKCTJWSA-N 1 3 371.525 3.150 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173858570 495722134 /nfs/dbraw/zinc/72/21/34/495722134.db2.gz GXPIOQBGIPUPAH-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858570 495722141 /nfs/dbraw/zinc/72/21/41/495722141.db2.gz GXPIOQBGIPUPAH-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096086 495737074 /nfs/dbraw/zinc/73/70/74/495737074.db2.gz BZZWEQSMSGWWDU-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096086 495737076 /nfs/dbraw/zinc/73/70/76/495737076.db2.gz BZZWEQSMSGWWDU-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096086 495737078 /nfs/dbraw/zinc/73/70/78/495737078.db2.gz BZZWEQSMSGWWDU-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO COC1CCC([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000183134139 495847506 /nfs/dbraw/zinc/84/75/06/495847506.db2.gz MACCXHMZPOMULT-UHFFFAOYSA-N 1 3 359.558 3.444 20 0 FGADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183153009 495857797 /nfs/dbraw/zinc/85/77/97/495857797.db2.gz WMLGQKNWNRYRHO-MZYLBHOOSA-N 1 3 372.553 3.462 20 0 FGADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000186117187 495862098 /nfs/dbraw/zinc/86/20/98/495862098.db2.gz IZCNQNVRFQVNKP-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000155587242 496004646 /nfs/dbraw/zinc/00/46/46/496004646.db2.gz SMTJVSNPYBUXPK-LSDHHAIUSA-N 1 3 359.436 3.262 20 0 FGADHO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000183485492 496005688 /nfs/dbraw/zinc/00/56/88/496005688.db2.gz YJZQRJLHOVJEJH-MRXNPFEDSA-N 1 3 358.530 3.261 20 0 FGADHO C[C@@H]1C[NH+](CC2CCN(CCc3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000152022683 496024914 /nfs/dbraw/zinc/02/49/14/496024914.db2.gz UYLVNXBWKHSJKS-HZPDHXFCSA-N 1 3 352.469 3.329 20 0 FGADHO CC(C)OCC[C@@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577947571 505825222 /nfs/dbraw/zinc/82/52/22/505825222.db2.gz LHROGDBBMWZCCE-XQBPLPMBSA-N 1 3 362.558 3.430 20 0 FGADHO CC(C)OCC[C@@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577947571 505825227 /nfs/dbraw/zinc/82/52/27/505825227.db2.gz LHROGDBBMWZCCE-XQBPLPMBSA-N 1 3 362.558 3.430 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000174890687 496151643 /nfs/dbraw/zinc/15/16/43/496151643.db2.gz CYEDSAQDAFPJQG-ZIFCJYIRSA-N 1 3 360.546 3.240 20 0 FGADHO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(OCCN(C)C)cc1 ZINC000152736196 496240071 /nfs/dbraw/zinc/24/00/71/496240071.db2.gz LOWSJTKWIQZCQX-KRWDZBQOSA-N 1 3 356.514 3.053 20 0 FGADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000161958899 496270708 /nfs/dbraw/zinc/27/07/08/496270708.db2.gz DFMOHMURHJYFRJ-LJQANCHMSA-N 1 3 374.573 3.270 20 0 FGADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000152881357 496284481 /nfs/dbraw/zinc/28/44/81/496284481.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 1 3 355.526 3.126 20 0 FGADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000152881357 496284488 /nfs/dbraw/zinc/28/44/88/496284488.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 1 3 355.526 3.126 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471587 496358454 /nfs/dbraw/zinc/35/84/54/496358454.db2.gz BPKYNMPBLQHKHR-KCYZZUKISA-N 1 3 366.347 3.346 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471587 496358458 /nfs/dbraw/zinc/35/84/58/496358458.db2.gz BPKYNMPBLQHKHR-KCYZZUKISA-N 1 3 366.347 3.346 20 0 FGADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000157250854 496437821 /nfs/dbraw/zinc/43/78/21/496437821.db2.gz OVMLCXKTQITJLO-OAQYLSRUSA-N 1 3 373.541 3.404 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000163126777 496468684 /nfs/dbraw/zinc/46/86/84/496468684.db2.gz AUDFKFDGRFFGOZ-JKSUJKDBSA-N 1 3 373.463 3.162 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNCCC(=O)Nc1ccc(C)cn1 ZINC000574750584 505847418 /nfs/dbraw/zinc/84/74/18/505847418.db2.gz YXRJYUKSVJQJLO-UHFFFAOYSA-N 1 3 354.498 3.350 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646114 496541683 /nfs/dbraw/zinc/54/16/83/496541683.db2.gz KVHCTTJCJCDNRZ-LJQANCHMSA-N 1 3 364.530 3.079 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)COc2ccccc2)CC1 ZINC000569095510 505851688 /nfs/dbraw/zinc/85/16/88/505851688.db2.gz RNMQRLNQESPGCA-GHTZIAJQSA-N 1 3 354.494 3.242 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855788 496570848 /nfs/dbraw/zinc/57/08/48/496570848.db2.gz FVNMYRJWFJZMAX-IRXDYDNUSA-N 1 3 352.544 3.395 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855788 496570852 /nfs/dbraw/zinc/57/08/52/496570852.db2.gz FVNMYRJWFJZMAX-IRXDYDNUSA-N 1 3 352.544 3.395 20 0 FGADHO CC(C)N1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000163936338 496571736 /nfs/dbraw/zinc/57/17/36/496571736.db2.gz MIRKCMNOFBLPPS-UHFFFAOYSA-N 1 3 372.601 3.047 20 0 FGADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000164650097 496625748 /nfs/dbraw/zinc/62/57/48/496625748.db2.gz AMOGVSOXWQIYBN-KRWDZBQOSA-N 1 3 352.544 3.397 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000164946710 496640909 /nfs/dbraw/zinc/64/09/09/496640909.db2.gz KSHDMUNSYLPNJO-QGZVFWFLSA-N 1 3 355.482 3.306 20 0 FGADHO C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164946710 496640915 /nfs/dbraw/zinc/64/09/15/496640915.db2.gz KSHDMUNSYLPNJO-QGZVFWFLSA-N 1 3 355.482 3.306 20 0 FGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185059546 496641466 /nfs/dbraw/zinc/64/14/66/496641466.db2.gz GLXRSZQUORRSDT-UHFFFAOYSA-N 1 3 359.518 3.409 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000574813938 505861324 /nfs/dbraw/zinc/86/13/24/505861324.db2.gz RNLYHGHEGDAFOV-SFTDATJTSA-N 1 3 372.557 3.444 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260840 496721962 /nfs/dbraw/zinc/72/19/62/496721962.db2.gz PAFQSMGGCYFXGK-UZLBHIALSA-N 1 3 371.500 3.309 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260840 496721964 /nfs/dbraw/zinc/72/19/64/496721964.db2.gz PAFQSMGGCYFXGK-UZLBHIALSA-N 1 3 371.500 3.309 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182272197 496724407 /nfs/dbraw/zinc/72/44/07/496724407.db2.gz RYJLHEYKAXBVEG-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272197 496724408 /nfs/dbraw/zinc/72/44/08/496724408.db2.gz RYJLHEYKAXBVEG-NZQKXSOJSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H]1CN(CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315404 496729365 /nfs/dbraw/zinc/72/93/65/496729365.db2.gz JMAGTROZTJCCEY-PMACEKPBSA-N 1 3 360.542 3.415 20 0 FGADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357587 496737096 /nfs/dbraw/zinc/73/70/96/496737096.db2.gz YAJOTFGOHSRSRH-YADHBBJMSA-N 1 3 358.526 3.333 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246997804 496747332 /nfs/dbraw/zinc/74/73/32/496747332.db2.gz KNQGLJBNYJDWHI-GVDBMIGSSA-N 1 3 364.559 3.057 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000273241820 496750147 /nfs/dbraw/zinc/75/01/47/496750147.db2.gz QIAOVNMWZWCOLE-HOTGVXAUSA-N 1 3 351.560 3.243 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864673 /nfs/dbraw/zinc/86/46/73/505864673.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 1 3 372.557 3.164 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864675 /nfs/dbraw/zinc/86/46/75/505864675.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 1 3 372.557 3.164 20 0 FGADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000194957065 496773693 /nfs/dbraw/zinc/77/36/93/496773693.db2.gz NMFIGQMFXOCXHU-SIKLNZKXSA-N 1 3 366.505 3.429 20 0 FGADHO COc1cccc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000194957065 496773697 /nfs/dbraw/zinc/77/36/97/496773697.db2.gz NMFIGQMFXOCXHU-SIKLNZKXSA-N 1 3 366.505 3.429 20 0 FGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772878 496779589 /nfs/dbraw/zinc/77/95/89/496779589.db2.gz AIEHZAPXDYQZBN-OXJNMPFZSA-N 1 3 355.482 3.030 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000268783149 496784532 /nfs/dbraw/zinc/78/45/32/496784532.db2.gz JGODFSHLRGYXQZ-UTKZUKDTSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000268783149 496784539 /nfs/dbraw/zinc/78/45/39/496784539.db2.gz JGODFSHLRGYXQZ-UTKZUKDTSA-N 1 3 369.484 3.056 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784694 496785330 /nfs/dbraw/zinc/78/53/30/496785330.db2.gz JVQQPICEOCVKNY-GOSISDBHSA-N 1 3 365.521 3.315 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843047 496802149 /nfs/dbraw/zinc/80/21/49/496802149.db2.gz BAKBMVVAZYJMID-RBDMOPTHSA-N 1 3 354.494 3.371 20 0 FGADHO COc1cccc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843047 496802153 /nfs/dbraw/zinc/80/21/53/496802153.db2.gz BAKBMVVAZYJMID-RBDMOPTHSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)CCN1Cc1ccccc1 ZINC000268921532 496823813 /nfs/dbraw/zinc/82/38/13/496823813.db2.gz WVLSDFYGZLUFIK-IRLDBZIGSA-N 1 3 371.569 3.274 20 0 FGADHO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000191613600 496832922 /nfs/dbraw/zinc/83/29/22/496832922.db2.gz OXQKIYZHSANWIA-RXVVDRJESA-N 1 3 356.510 3.190 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000268976388 496840650 /nfs/dbraw/zinc/84/06/50/496840650.db2.gz BSUNOSSQXKVJCB-NWSQWKLXSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000269074905 496865841 /nfs/dbraw/zinc/86/58/41/496865841.db2.gz YAEGXXWSTGYXEO-SFHVURJKSA-N 1 3 354.494 3.373 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247508525 496875034 /nfs/dbraw/zinc/87/50/34/496875034.db2.gz MIAHSNWPUBODDR-ONTIZHBOSA-N 1 3 360.542 3.248 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247508525 496875035 /nfs/dbraw/zinc/87/50/35/496875035.db2.gz MIAHSNWPUBODDR-ONTIZHBOSA-N 1 3 360.542 3.248 20 0 FGADHO Cc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000195341810 496895664 /nfs/dbraw/zinc/89/56/64/496895664.db2.gz YTLKKSRSVHKIAP-UHFFFAOYSA-N 1 3 358.530 3.292 20 0 FGADHO CN(C)Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000195488278 496937853 /nfs/dbraw/zinc/93/78/53/496937853.db2.gz KMNRLRGLPNPUEC-UHFFFAOYSA-N 1 3 365.521 3.390 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)cs1 ZINC000248127645 496959110 /nfs/dbraw/zinc/95/91/10/496959110.db2.gz OCICMPDKYJMKIE-JTDSTZFVSA-N 1 3 364.603 3.236 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000269511855 496962091 /nfs/dbraw/zinc/96/20/91/496962091.db2.gz OVLGTQQWVSRYGJ-QMMLZNLJSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000269511855 496962097 /nfs/dbraw/zinc/96/20/97/496962097.db2.gz OVLGTQQWVSRYGJ-QMMLZNLJSA-N 1 3 351.494 3.103 20 0 FGADHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396922 496994740 /nfs/dbraw/zinc/99/47/40/496994740.db2.gz KUUZBQZJPCHVFG-IPMKNSEASA-N 1 3 363.571 3.012 20 0 FGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](O)Cc1ccccc1 ZINC000248418790 497005000 /nfs/dbraw/zinc/00/50/00/497005000.db2.gz TZHZAYOXYRPJRU-PCYHMHGQSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)Cc1ccccc1 ZINC000248418790 497005005 /nfs/dbraw/zinc/00/50/05/497005005.db2.gz TZHZAYOXYRPJRU-PCYHMHGQSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)Cc1ccccc1 ZINC000248418790 497005008 /nfs/dbraw/zinc/00/50/08/497005008.db2.gz TZHZAYOXYRPJRU-PCYHMHGQSA-N 1 3 364.533 3.479 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192183003 497025850 /nfs/dbraw/zinc/02/58/50/497025850.db2.gz HHGXSKMHFJESJP-ZCQXEVHSSA-N 1 3 356.510 3.218 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192183003 497025852 /nfs/dbraw/zinc/02/58/52/497025852.db2.gz HHGXSKMHFJESJP-ZCQXEVHSSA-N 1 3 356.510 3.218 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189187276 497037616 /nfs/dbraw/zinc/03/76/16/497037616.db2.gz AQLFYDZZSCRRTB-QUCCMNQESA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H](NCCC(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189187276 497037620 /nfs/dbraw/zinc/03/76/20/497037620.db2.gz AQLFYDZZSCRRTB-QUCCMNQESA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000189187276 497037625 /nfs/dbraw/zinc/03/76/25/497037625.db2.gz AQLFYDZZSCRRTB-QUCCMNQESA-N 1 3 369.553 3.204 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000248789073 497105103 /nfs/dbraw/zinc/10/51/03/497105103.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000248789073 497105105 /nfs/dbraw/zinc/10/51/05/497105105.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248838590 497115518 /nfs/dbraw/zinc/11/55/18/497115518.db2.gz ORFRPZRAZDJICU-VKFKGBHESA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248838590 497115527 /nfs/dbraw/zinc/11/55/27/497115527.db2.gz ORFRPZRAZDJICU-VKFKGBHESA-N 1 3 360.542 3.154 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236655322 497127368 /nfs/dbraw/zinc/12/73/68/497127368.db2.gz FTAQLOHHQOOXHO-LAUBAEHRSA-N 1 3 353.510 3.479 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236655322 497127371 /nfs/dbraw/zinc/12/73/71/497127371.db2.gz FTAQLOHHQOOXHO-LAUBAEHRSA-N 1 3 353.510 3.479 20 0 FGADHO CC1CCN([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000236653859 497127720 /nfs/dbraw/zinc/12/77/20/497127720.db2.gz LJKDNQNCJLWAMC-SFHVURJKSA-N 1 3 357.523 3.410 20 0 FGADHO COc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1O ZINC000278494483 497134322 /nfs/dbraw/zinc/13/43/22/497134322.db2.gz LZKQAPVWRKFAFA-UHFFFAOYSA-N 1 3 369.303 3.127 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C[C@H](C)O1 ZINC000248994545 497147505 /nfs/dbraw/zinc/14/75/05/497147505.db2.gz OKVZNGCIBGTVQE-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C[C@H](C)O1 ZINC000248994545 497147507 /nfs/dbraw/zinc/14/75/07/497147507.db2.gz OKVZNGCIBGTVQE-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@H](C)O1 ZINC000248994545 497147510 /nfs/dbraw/zinc/14/75/10/497147510.db2.gz OKVZNGCIBGTVQE-IFJRSFPFSA-N 1 3 357.542 3.011 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000236875104 497161506 /nfs/dbraw/zinc/16/15/06/497161506.db2.gz MCSWUSLOBFIMEQ-ZJVRTDGDSA-N 1 3 373.541 3.115 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000236886063 497162326 /nfs/dbraw/zinc/16/23/26/497162326.db2.gz DGPNMLWDGHBEDG-FQEVSTJZSA-N 1 3 355.482 3.088 20 0 FGADHO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000249213379 497181779 /nfs/dbraw/zinc/18/17/79/497181779.db2.gz ZAOOYBFBWIMFTH-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249213379 497181784 /nfs/dbraw/zinc/18/17/84/497181784.db2.gz ZAOOYBFBWIMFTH-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO OC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249213379 497181791 /nfs/dbraw/zinc/18/17/91/497181791.db2.gz ZAOOYBFBWIMFTH-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO CC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000274934102 497201389 /nfs/dbraw/zinc/20/13/89/497201389.db2.gz MCZRYPFOZVCAAW-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000237346985 497222820 /nfs/dbraw/zinc/22/28/20/497222820.db2.gz YRQMACKJYZZSOF-INIZCTEOSA-N 1 3 358.530 3.157 20 0 FGADHO C[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237613937 497263256 /nfs/dbraw/zinc/26/32/56/497263256.db2.gz XKODLLYDWXIIHS-SJLPKXTDSA-N 1 3 363.571 3.102 20 0 FGADHO C[C@H](CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237657769 497270773 /nfs/dbraw/zinc/27/07/73/497270773.db2.gz ITPHAGZPJNCUSG-MDYRTPRTSA-N 1 3 363.571 3.273 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251566781 497277589 /nfs/dbraw/zinc/27/75/89/497277589.db2.gz HCBZXJPHRKZOSH-IFMALSPDSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251566781 497277595 /nfs/dbraw/zinc/27/75/95/497277595.db2.gz HCBZXJPHRKZOSH-IFMALSPDSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000190123894 497366622 /nfs/dbraw/zinc/36/66/22/497366622.db2.gz MHYIIDAISCXULW-NRFANRHFSA-N 1 3 372.557 3.341 20 0 FGADHO C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000245200841 497376049 /nfs/dbraw/zinc/37/60/49/497376049.db2.gz DESWCSMRNKIGFZ-GUDVDZBRSA-N 1 3 357.542 3.071 20 0 FGADHO c1cc([C@@H]2CCCN2CCOCC[N@@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000245581157 497464573 /nfs/dbraw/zinc/46/45/73/497464573.db2.gz IWFQBOOOXZWIJE-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO c1cc([C@@H]2CCCN2CCOCC[N@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000245581157 497464577 /nfs/dbraw/zinc/46/45/77/497464577.db2.gz IWFQBOOOXZWIJE-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245680573 497499709 /nfs/dbraw/zinc/49/97/09/497499709.db2.gz GKRMFKFRDVLNAP-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245680573 497499711 /nfs/dbraw/zinc/49/97/11/497499711.db2.gz GKRMFKFRDVLNAP-LEWJYISDSA-N 1 3 372.557 3.339 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312981 497523972 /nfs/dbraw/zinc/52/39/72/497523972.db2.gz CFADBXQOUBJCIP-NQIIRXRSSA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245767662 497533240 /nfs/dbraw/zinc/53/32/40/497533240.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767662 497533244 /nfs/dbraw/zinc/53/32/44/497533244.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 1 3 371.569 3.128 20 0 FGADHO CC(C)CN1CCO[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767662 497533249 /nfs/dbraw/zinc/53/32/49/497533249.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 1 3 371.569 3.128 20 0 FGADHO Cc1ccc(OC[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000578316174 505912908 /nfs/dbraw/zinc/91/29/08/505912908.db2.gz PUJGSPWVSYKWBT-OAQYLSRUSA-N 1 3 354.494 3.120 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000190651606 497560339 /nfs/dbraw/zinc/56/03/39/497560339.db2.gz QLKUOURNUNAYQG-LVCYWYKZSA-N 1 3 352.563 3.139 20 0 FGADHO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000272232140 497572056 /nfs/dbraw/zinc/57/20/56/497572056.db2.gz URPGBWVNWFIPSJ-OXJNMPFZSA-N 1 3 363.509 3.277 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942561 497579967 /nfs/dbraw/zinc/57/99/67/497579967.db2.gz BACAGMKTPCRLNG-HOCLYGCPSA-N 1 3 364.921 3.114 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942561 497579970 /nfs/dbraw/zinc/57/99/70/497579970.db2.gz BACAGMKTPCRLNG-HOCLYGCPSA-N 1 3 364.921 3.114 20 0 FGADHO C[C@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648980 497590792 /nfs/dbraw/zinc/59/07/92/497590792.db2.gz QCMQMPGLPBZSNB-IPJJNNNSSA-N 1 3 365.521 3.446 20 0 FGADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166841 497644914 /nfs/dbraw/zinc/64/49/14/497644914.db2.gz FPBOYYHLSPHNNI-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276888062 497679525 /nfs/dbraw/zinc/67/95/25/497679525.db2.gz QIDMSRMYDABTPU-UHFFFAOYSA-N 1 3 357.498 3.346 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1Cl ZINC000263052676 497692677 /nfs/dbraw/zinc/69/26/77/497692677.db2.gz USGMWQBXBAMVBX-KSSFIOAISA-N 1 3 353.894 3.127 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000272672764 497697944 /nfs/dbraw/zinc/69/79/44/497697944.db2.gz PYJKHURBSPSPKH-AZUAARDMSA-N 1 3 372.557 3.071 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410031 497724535 /nfs/dbraw/zinc/72/45/35/497724535.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410031 497724536 /nfs/dbraw/zinc/72/45/36/497724536.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 1 3 367.537 3.126 20 0 FGADHO CN(c1ccccc1C[NH2+]CC1(CCO)CCCC1)C1CCN(C)CC1 ZINC000268384675 497738344 /nfs/dbraw/zinc/73/83/44/497738344.db2.gz VRRGOTULAOVTKZ-UHFFFAOYSA-N 1 3 359.558 3.249 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1cccc(OC)c1 ZINC000263262185 497743914 /nfs/dbraw/zinc/74/39/14/497743914.db2.gz RCEQPADPNANEHG-SFHLNBCPSA-N 1 3 361.530 3.102 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272859872 497746679 /nfs/dbraw/zinc/74/66/79/497746679.db2.gz ICDAQTCDEFGVFS-KRWDZBQOSA-N 1 3 374.529 3.179 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246522089 497762451 /nfs/dbraw/zinc/76/24/51/497762451.db2.gz URPBMKPNDKOLID-DZGCQCFKSA-N 1 3 368.319 3.158 20 0 FGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246522089 497762453 /nfs/dbraw/zinc/76/24/53/497762453.db2.gz URPBMKPNDKOLID-DZGCQCFKSA-N 1 3 368.319 3.158 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000273155100 497804845 /nfs/dbraw/zinc/80/48/45/497804845.db2.gz ALNFLKQYKFPJRR-HNNXBMFYSA-N 1 3 351.560 3.243 20 0 FGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246855432 497816751 /nfs/dbraw/zinc/81/67/51/497816751.db2.gz FKZXHXGLOMWFIP-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246855432 497816753 /nfs/dbraw/zinc/81/67/53/497816753.db2.gz FKZXHXGLOMWFIP-TZIWHRDSSA-N 1 3 372.557 3.101 20 0 FGADHO CC1(C)[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000284535839 497823005 /nfs/dbraw/zinc/82/30/05/497823005.db2.gz XGDJVGDXNZKZLI-WMQCIHAUSA-N 1 3 358.526 3.323 20 0 FGADHO CC(C)C[C@H](N[C@H]1CCc2c1cccc2Cl)C(=O)NCC[NH+](C)C ZINC000572350620 505947658 /nfs/dbraw/zinc/94/76/58/505947658.db2.gz AYONPHZUWMMISF-ROUUACIJSA-N 1 3 351.922 3.009 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000292263433 497944457 /nfs/dbraw/zinc/94/44/57/497944457.db2.gz TVBGEZBBZRMUJU-VXKWHMMOSA-N 1 3 369.553 3.231 20 0 FGADHO CN1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263433 497944462 /nfs/dbraw/zinc/94/44/62/497944462.db2.gz TVBGEZBBZRMUJU-VXKWHMMOSA-N 1 3 369.553 3.231 20 0 FGADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H]3C[C@H](C)n4ccnc43)CC2)c1 ZINC000296186267 497948180 /nfs/dbraw/zinc/94/81/80/497948180.db2.gz YIAFMAOJOXFVRB-PZJWPPBQSA-N 1 3 367.541 3.389 20 0 FGADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329765 505962392 /nfs/dbraw/zinc/96/23/92/505962392.db2.gz FBNBBAWCXSAUSD-UXHICEINSA-N 1 3 361.530 3.067 20 0 FGADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000581329765 505962393 /nfs/dbraw/zinc/96/23/93/505962393.db2.gz FBNBBAWCXSAUSD-UXHICEINSA-N 1 3 361.530 3.067 20 0 FGADHO COc1ccccc1OCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000572475934 505977560 /nfs/dbraw/zinc/97/75/60/505977560.db2.gz JJWVUOVDUNRKON-UHFFFAOYSA-N 1 3 354.494 3.371 20 0 FGADHO C[N@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296573 498094508 /nfs/dbraw/zinc/09/45/08/498094508.db2.gz QILIDGVSFAOYMT-RTBURBONSA-N 1 3 358.482 3.062 20 0 FGADHO C[N@@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296573 498094513 /nfs/dbraw/zinc/09/45/13/498094513.db2.gz QILIDGVSFAOYMT-RTBURBONSA-N 1 3 358.482 3.062 20 0 FGADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281424331 498145837 /nfs/dbraw/zinc/14/58/37/498145837.db2.gz BXYQMXXQISXRQW-YADHBBJMSA-N 1 3 369.484 3.418 20 0 FGADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281424331 498145847 /nfs/dbraw/zinc/14/58/47/498145847.db2.gz BXYQMXXQISXRQW-YADHBBJMSA-N 1 3 369.484 3.418 20 0 FGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000575731784 505993631 /nfs/dbraw/zinc/99/36/31/505993631.db2.gz RJGUEMRSNCHLNN-INIZCTEOSA-N 1 3 358.530 3.354 20 0 FGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000575731784 505993632 /nfs/dbraw/zinc/99/36/32/505993632.db2.gz RJGUEMRSNCHLNN-INIZCTEOSA-N 1 3 358.530 3.354 20 0 FGADHO Cc1nc2ccc(Br)cc2c(NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000301782935 498261693 /nfs/dbraw/zinc/26/16/93/498261693.db2.gz TWESWNJEJCKQIX-QGZVFWFLSA-N 1 3 366.303 3.339 20 0 FGADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289799219 498298757 /nfs/dbraw/zinc/29/87/57/498298757.db2.gz SFKRKEFFPMAKGP-VMXMFDLUSA-N 1 3 368.525 3.233 20 0 FGADHO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000293450879 498389066 /nfs/dbraw/zinc/38/90/66/498389066.db2.gz KOTKVCPYEGVEIZ-OXQOHEQNSA-N 1 3 361.505 3.151 20 0 FGADHO C[C@H]1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000297373591 498424628 /nfs/dbraw/zinc/42/46/28/498424628.db2.gz HWXOVNFMRSUBJH-PGRDOPGGSA-N 1 3 350.510 3.303 20 0 FGADHO Cc1ccc(NC(=O)CCNCc2ccccc2C[N@@H+](C)C(C)C)nc1 ZINC000575916298 506032577 /nfs/dbraw/zinc/03/25/77/506032577.db2.gz ALMFWKDCCHWCJA-UHFFFAOYSA-N 1 3 354.498 3.349 20 0 FGADHO Cc1ccc(NC(=O)CCNCc2ccccc2C[N@H+](C)C(C)C)nc1 ZINC000575916298 506032580 /nfs/dbraw/zinc/03/25/80/506032580.db2.gz ALMFWKDCCHWCJA-UHFFFAOYSA-N 1 3 354.498 3.349 20 0 FGADHO C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000581634129 506032850 /nfs/dbraw/zinc/03/28/50/506032850.db2.gz AMGOQHXWQLFTHG-TYPHKJRUSA-N 1 3 369.553 3.420 20 0 FGADHO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440604 /nfs/dbraw/zinc/44/06/04/498440604.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 1 3 373.516 3.125 20 0 FGADHO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440609 /nfs/dbraw/zinc/44/06/09/498440609.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 1 3 373.516 3.125 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431885 498509756 /nfs/dbraw/zinc/50/97/56/498509756.db2.gz HNICGMFWSFIAFT-OALUTQOASA-N 1 3 356.510 3.363 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431885 498509761 /nfs/dbraw/zinc/50/97/61/498509761.db2.gz HNICGMFWSFIAFT-OALUTQOASA-N 1 3 356.510 3.363 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981220 506048309 /nfs/dbraw/zinc/04/83/09/506048309.db2.gz BVKYCKIFHGYPNQ-HZPDHXFCSA-N 1 3 374.447 3.155 20 0 FGADHO FC(F)(F)CN1CCC(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297665869 498528886 /nfs/dbraw/zinc/52/88/86/498528886.db2.gz OECMPPMWKXPXJT-UHFFFAOYSA-N 1 3 370.463 3.304 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000576002616 506053615 /nfs/dbraw/zinc/05/36/15/506053615.db2.gz ZWURVFBCTYRJHE-FPOVZHCZSA-N 1 3 361.574 3.125 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000297782919 498566520 /nfs/dbraw/zinc/56/65/20/498566520.db2.gz WISRIBDLMMMQSL-SFTDATJTSA-N 1 3 372.463 3.364 20 0 FGADHO Clc1ccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000569957938 506056566 /nfs/dbraw/zinc/05/65/66/506056566.db2.gz XHTCURNBQFGKPI-BBWFWOEESA-N 1 3 360.889 3.443 20 0 FGADHO c1coc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCCCC2)c1 ZINC000294101003 498589321 /nfs/dbraw/zinc/58/93/21/498589321.db2.gz BZFMJXGVVJOHLW-FQEVSTJZSA-N 1 3 354.498 3.460 20 0 FGADHO Cc1cc([C@@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000282889360 498697479 /nfs/dbraw/zinc/69/74/79/498697479.db2.gz WDXPLUQCXBTHAH-GOSISDBHSA-N 1 3 356.514 3.096 20 0 FGADHO C[NH+](C)CCCOc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000298355768 498743189 /nfs/dbraw/zinc/74/31/89/498743189.db2.gz JXKZQOGHJSGRDI-UHFFFAOYSA-N 1 3 354.498 3.493 20 0 FGADHO COC(=O)c1ccc(CNCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000319140760 498800743 /nfs/dbraw/zinc/80/07/43/498800743.db2.gz UFTFQZLVQKUJHX-UHFFFAOYSA-N 1 3 369.303 3.057 20 0 FGADHO N[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416766 498917233 /nfs/dbraw/zinc/91/72/33/498917233.db2.gz ZHCYYFCKSLWJBD-TZIWHRDSSA-N 1 3 351.494 3.105 20 0 FGADHO N[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416766 498917240 /nfs/dbraw/zinc/91/72/40/498917240.db2.gz ZHCYYFCKSLWJBD-TZIWHRDSSA-N 1 3 351.494 3.105 20 0 FGADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccccc1O2 ZINC000366446151 498931289 /nfs/dbraw/zinc/93/12/89/498931289.db2.gz ZUOXIRIXMIUYHE-NLWGTHIKSA-N 1 3 358.526 3.363 20 0 FGADHO CC1CCN([C@H](CNC(=O)c2ccccc2CC[NH3+])c2cccs2)CC1 ZINC000573102623 506119229 /nfs/dbraw/zinc/11/92/29/506119229.db2.gz ZNSAMSLQDDXJHW-LJQANCHMSA-N 1 3 371.550 3.452 20 0 FGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283787 498984643 /nfs/dbraw/zinc/98/46/43/498984643.db2.gz XDTUWOPPERVCFD-OPYAIIAOSA-N 1 3 372.557 3.021 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057828 506124166 /nfs/dbraw/zinc/12/41/66/506124166.db2.gz GWRLTRLUVQPFIM-OXJNMPFZSA-N 1 3 372.538 3.453 20 0 FGADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057828 506124171 /nfs/dbraw/zinc/12/41/71/506124171.db2.gz GWRLTRLUVQPFIM-OXJNMPFZSA-N 1 3 372.538 3.453 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000369871828 499142528 /nfs/dbraw/zinc/14/25/28/499142528.db2.gz JLHUIVJAXMSZCW-FXAWDEMLSA-N 1 3 364.578 3.155 20 0 FGADHO c1cc(CN2CCC[C@H]3OCC[C@H]32)cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369878853 499143862 /nfs/dbraw/zinc/14/38/62/499143862.db2.gz VDPXMRDTPBJAGI-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO c1cc(CN2CCC[C@H]3OCC[C@H]32)cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369878853 499143864 /nfs/dbraw/zinc/14/38/64/499143864.db2.gz VDPXMRDTPBJAGI-GXRSIYKFSA-N 1 3 356.510 3.193 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209988 499162385 /nfs/dbraw/zinc/16/23/85/499162385.db2.gz YLAALSIWICMWBU-KUHUBIRLSA-N 1 3 350.453 3.195 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209988 499162388 /nfs/dbraw/zinc/16/23/88/499162388.db2.gz YLAALSIWICMWBU-KUHUBIRLSA-N 1 3 350.453 3.195 20 0 FGADHO CN(Cc1cnoc1C1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000367373475 499190609 /nfs/dbraw/zinc/19/06/09/499190609.db2.gz YTDGVLAIDAMOBF-NRFANRHFSA-N 1 3 369.509 3.429 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@H](CN3CCCCC3)C2)C1 ZINC000370286991 499205873 /nfs/dbraw/zinc/20/58/73/499205873.db2.gz AVHDUTNRYBGRSZ-NHCUHLMSSA-N 1 3 369.553 3.347 20 0 FGADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@H](CN3CCCCC3)C2)C1 ZINC000370286991 499205876 /nfs/dbraw/zinc/20/58/76/499205876.db2.gz AVHDUTNRYBGRSZ-NHCUHLMSSA-N 1 3 369.553 3.347 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367605897 499216815 /nfs/dbraw/zinc/21/68/15/499216815.db2.gz IIAPBLUIRFPRDB-ACRUOGEOSA-N 1 3 355.526 3.275 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367605897 499216817 /nfs/dbraw/zinc/21/68/17/499216817.db2.gz IIAPBLUIRFPRDB-ACRUOGEOSA-N 1 3 355.526 3.275 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367605897 499216819 /nfs/dbraw/zinc/21/68/19/499216819.db2.gz IIAPBLUIRFPRDB-ACRUOGEOSA-N 1 3 355.526 3.275 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367621762 499218829 /nfs/dbraw/zinc/21/88/29/499218829.db2.gz TVTKLVMMYUSSCN-BFYDXBDKSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367621762 499218831 /nfs/dbraw/zinc/21/88/31/499218831.db2.gz TVTKLVMMYUSSCN-BFYDXBDKSA-N 1 3 365.905 3.140 20 0 FGADHO COc1cc(OC)c(OC)cc1CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367684232 499224537 /nfs/dbraw/zinc/22/45/37/499224537.db2.gz HGFXMNBYRRLMNC-UHFFFAOYSA-N 1 3 371.481 3.208 20 0 FGADHO Brc1cnn(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000367699439 499226140 /nfs/dbraw/zinc/22/61/40/499226140.db2.gz SQKZFMISEYKPSC-UHFFFAOYSA-N 1 3 355.324 3.032 20 0 FGADHO C[C@H](NCc1ccnc(-n2ccnc2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000370650847 499239976 /nfs/dbraw/zinc/23/99/76/499239976.db2.gz GMFJCEBBOPRUAI-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242691 499301608 /nfs/dbraw/zinc/30/16/08/499301608.db2.gz HKILLKJBQWLIJE-FPOVZHCZSA-N 1 3 373.516 3.028 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304250 499308102 /nfs/dbraw/zinc/30/81/02/499308102.db2.gz SDTMHZXYOTUJSG-JTSKRJEESA-N 1 3 352.526 3.001 20 0 FGADHO C[NH+]1CCC2(CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000371403384 499321427 /nfs/dbraw/zinc/32/14/27/499321427.db2.gz QEDSRWFZWPODPM-HXUWFJFHSA-N 1 3 370.541 3.093 20 0 FGADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371593196 499345453 /nfs/dbraw/zinc/34/54/53/499345453.db2.gz RVWUZQFLRZUFKX-QFIPXVFZSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000369062599 499361694 /nfs/dbraw/zinc/36/16/94/499361694.db2.gz HRIYWHJSVGEYKF-CRAIPNDOSA-N 1 3 369.475 3.395 20 0 FGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000369062955 499361698 /nfs/dbraw/zinc/36/16/98/499361698.db2.gz IOEUBRDIMIEQAO-HSALFYBXSA-N 1 3 356.558 3.174 20 0 FGADHO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000369768400 499441797 /nfs/dbraw/zinc/44/17/97/499441797.db2.gz WOGPSPILIFCTEG-MAUKXSAKSA-N 1 3 355.448 3.163 20 0 FGADHO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000369768400 499441798 /nfs/dbraw/zinc/44/17/98/499441798.db2.gz WOGPSPILIFCTEG-MAUKXSAKSA-N 1 3 355.448 3.163 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378425927 499515518 /nfs/dbraw/zinc/51/55/18/499515518.db2.gz GTGVSYCSXUZYIJ-CRAIPNDOSA-N 1 3 367.484 3.449 20 0 FGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378425927 499515521 /nfs/dbraw/zinc/51/55/21/499515521.db2.gz GTGVSYCSXUZYIJ-CRAIPNDOSA-N 1 3 367.484 3.449 20 0 FGADHO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@H](c1ccccc1)C(C)C ZINC000378436192 499516654 /nfs/dbraw/zinc/51/66/54/499516654.db2.gz VRJXFKIAAMJDHT-NRFANRHFSA-N 1 3 369.557 3.357 20 0 FGADHO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@H](c1ccccc1)C(C)C ZINC000378436192 499516656 /nfs/dbraw/zinc/51/66/56/499516656.db2.gz VRJXFKIAAMJDHT-NRFANRHFSA-N 1 3 369.557 3.357 20 0 FGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473452 499521561 /nfs/dbraw/zinc/52/15/61/499521561.db2.gz KCTKLFHWZOSPMO-RLLQIKCJSA-N 1 3 357.546 3.078 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654831 499542729 /nfs/dbraw/zinc/54/27/29/499542729.db2.gz KCESAEXKOSOUFG-QMMLZNLJSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654831 499542731 /nfs/dbraw/zinc/54/27/31/499542731.db2.gz KCESAEXKOSOUFG-QMMLZNLJSA-N 1 3 372.484 3.208 20 0 FGADHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COc1ccccc1 ZINC000380852676 499544122 /nfs/dbraw/zinc/54/41/22/499544122.db2.gz CNDHNLOOIKWDFU-FGZHOGPDSA-N 1 3 368.521 3.318 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705785 499547020 /nfs/dbraw/zinc/54/70/20/499547020.db2.gz FGVLAWACRBHFAL-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705785 499547022 /nfs/dbraw/zinc/54/70/22/499547022.db2.gz FGVLAWACRBHFAL-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(Br)c1[O-] ZINC000387302536 499549757 /nfs/dbraw/zinc/54/97/57/499549757.db2.gz KDLKIANEYURJSY-UHFFFAOYSA-N 1 3 359.308 3.373 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740235 499550331 /nfs/dbraw/zinc/55/03/31/499550331.db2.gz FDHFDYHZRHAOBL-WZTADHLQSA-N 1 3 350.453 3.457 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740235 499550332 /nfs/dbraw/zinc/55/03/32/499550332.db2.gz FDHFDYHZRHAOBL-WZTADHLQSA-N 1 3 350.453 3.457 20 0 FGADHO c1ccc(CN2CCC[C@@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000390582685 499554707 /nfs/dbraw/zinc/55/47/07/499554707.db2.gz JTYHWCJEPYPLNB-JOCHJYFZSA-N 1 3 350.510 3.305 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cccc(Br)c1)C2 ZINC000394163757 499561460 /nfs/dbraw/zinc/56/14/60/499561460.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 1 3 353.304 3.385 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cccc(Br)c1)C2 ZINC000394163757 499561462 /nfs/dbraw/zinc/56/14/62/499561462.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 1 3 353.304 3.385 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076362 499566416 /nfs/dbraw/zinc/56/64/16/499566416.db2.gz QSXUHKGIOVVICX-RMVXJAJNSA-N 1 3 357.542 3.039 20 0 FGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296060 499598263 /nfs/dbraw/zinc/59/82/63/499598263.db2.gz LMXDLBDRUICIBK-QRVBRYPASA-N 1 3 363.546 3.406 20 0 FGADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000376925207 499646732 /nfs/dbraw/zinc/64/67/32/499646732.db2.gz LQIQDQNNGWJISK-UHFFFAOYSA-N 1 3 351.485 3.474 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355894 499657113 /nfs/dbraw/zinc/65/71/13/499657113.db2.gz AGZHTSJZLAOOGU-ZWKOTPCHSA-N 1 3 359.514 3.405 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355894 499657115 /nfs/dbraw/zinc/65/71/15/499657115.db2.gz AGZHTSJZLAOOGU-ZWKOTPCHSA-N 1 3 359.514 3.405 20 0 FGADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1CCOc2ccccc21 ZINC000377381986 499685426 /nfs/dbraw/zinc/68/54/26/499685426.db2.gz KACVPWSSUDKYSC-QGZVFWFLSA-N 1 3 355.482 3.068 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000411346559 499728180 /nfs/dbraw/zinc/72/81/80/499728180.db2.gz ISVMQSPRRIBSBN-FQEVSTJZSA-N 1 3 363.521 3.492 20 0 FGADHO CC(CCN(C)[C@@H](C)c1cnn(C)c1)CC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506521 499748819 /nfs/dbraw/zinc/74/88/19/499748819.db2.gz YIKSTEJRIAUFFM-ROUUACIJSA-N 1 3 360.550 3.256 20 0 FGADHO CC(CCN(C)[C@@H](C)c1cnn(C)c1)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506521 499748822 /nfs/dbraw/zinc/74/88/22/499748822.db2.gz YIKSTEJRIAUFFM-ROUUACIJSA-N 1 3 360.550 3.256 20 0 FGADHO CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558926 499763136 /nfs/dbraw/zinc/76/31/36/499763136.db2.gz MQCOVKUEJSLFRX-NHCUHLMSSA-N 1 3 374.525 3.215 20 0 FGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000414187325 499766900 /nfs/dbraw/zinc/76/69/00/499766900.db2.gz IHVSBYRFTLADMX-IBGZPJMESA-N 1 3 371.569 3.013 20 0 FGADHO CN1CCC(C[NH2+]C2CCC3(CCCCC3)CC2)(N2CCOCC2)CC1 ZINC000414190731 499767266 /nfs/dbraw/zinc/76/72/66/499767266.db2.gz KTLJMIUZEDQVIL-UHFFFAOYSA-N 1 3 363.590 3.266 20 0 FGADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)cc1 ZINC000414196292 499767883 /nfs/dbraw/zinc/76/78/83/499767883.db2.gz ONJBMMGFERYJQD-IBGZPJMESA-N 1 3 365.949 3.177 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414319603 499777481 /nfs/dbraw/zinc/77/74/81/499777481.db2.gz AETMPPGOSYHDGR-MRXNPFEDSA-N 1 3 369.484 3.374 20 0 FGADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326378 499777981 /nfs/dbraw/zinc/77/79/81/499777981.db2.gz NPNRZHTXXREJJT-DYESRHJHSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)[C@@H]1C ZINC000414346378 499779677 /nfs/dbraw/zinc/77/96/77/499779677.db2.gz UTCAWHRUFFRYRT-LZJOCLMNSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccncc1 ZINC000414344952 499779762 /nfs/dbraw/zinc/77/97/62/499779762.db2.gz RZQPAZACUZMYKI-OAQYLSRUSA-N 1 3 366.509 3.020 20 0 FGADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732583 499824327 /nfs/dbraw/zinc/82/43/27/499824327.db2.gz CTOPMMZSNRPOPJ-LSDHHAIUSA-N 1 3 371.447 3.286 20 0 FGADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732583 499824329 /nfs/dbraw/zinc/82/43/29/499824329.db2.gz CTOPMMZSNRPOPJ-LSDHHAIUSA-N 1 3 371.447 3.286 20 0 FGADHO COCCN(Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756219 499827210 /nfs/dbraw/zinc/82/72/10/499827210.db2.gz JDAPCLQYZXHBBY-QWHCGFSZSA-N 1 3 361.349 3.347 20 0 FGADHO CCCOc1c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cccc1OCC ZINC000414792414 499831598 /nfs/dbraw/zinc/83/15/98/499831598.db2.gz RXLVYNKKNJOCLP-QUCCMNQESA-N 1 3 362.514 3.202 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414795270 499832159 /nfs/dbraw/zinc/83/21/59/499832159.db2.gz GKOSYEVXFJPUOL-YDHLFZDLSA-N 1 3 353.894 3.173 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414795270 499832160 /nfs/dbraw/zinc/83/21/60/499832160.db2.gz GKOSYEVXFJPUOL-YDHLFZDLSA-N 1 3 353.894 3.173 20 0 FGADHO Cc1cc(Br)cn2c(CN[C@H]3CCCC[C@H]3C[NH3+])cnc12 ZINC000414796810 499832234 /nfs/dbraw/zinc/83/22/34/499832234.db2.gz IASAGBFYIQHQKZ-WFASDCNBSA-N 1 3 351.292 3.012 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414799158 499832691 /nfs/dbraw/zinc/83/26/91/499832691.db2.gz JUIFRUTYDDBAOS-IOASZLSFSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799158 499832693 /nfs/dbraw/zinc/83/26/93/499832693.db2.gz JUIFRUTYDDBAOS-IOASZLSFSA-N 1 3 368.319 3.273 20 0 FGADHO Cc1nc(COc2ccc(CNCc3ccc([C@H](C)[NH3+])cc3)cc2)no1 ZINC000414810111 499833528 /nfs/dbraw/zinc/83/35/28/499833528.db2.gz NMLADLSWXYKJMS-AWEZNQCLSA-N 1 3 352.438 3.267 20 0 FGADHO CCCC[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819054 499834464 /nfs/dbraw/zinc/83/44/64/499834464.db2.gz XQNHUGJCZLCTNI-WFASDCNBSA-N 1 3 356.308 3.273 20 0 FGADHO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412395868 499851542 /nfs/dbraw/zinc/85/15/42/499851542.db2.gz AVXQLDSBLNZDMN-UHFFFAOYSA-N 1 3 355.526 3.419 20 0 FGADHO Clc1ccc(OC[C@H]2CCCO2)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415013781 499855176 /nfs/dbraw/zinc/85/51/76/499855176.db2.gz VSRYEDCBJVFGMZ-CEXWTWQISA-N 1 3 364.917 3.376 20 0 FGADHO CCN1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415066332 499860340 /nfs/dbraw/zinc/86/03/40/499860340.db2.gz AJXNIZBATCHAGU-ILWGZMRPSA-N 1 3 356.558 3.470 20 0 FGADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1SC ZINC000415132696 499868580 /nfs/dbraw/zinc/86/85/80/499868580.db2.gz UJJDASZHZKFNEM-APWZRJJASA-N 1 3 350.528 3.135 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000415137152 499869063 /nfs/dbraw/zinc/86/90/63/499869063.db2.gz XTZVQXKILUEIRN-FPOVZHCZSA-N 1 3 361.505 3.144 20 0 FGADHO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415313159 499885694 /nfs/dbraw/zinc/88/56/94/499885694.db2.gz UYNJLFNAJVIQHL-UHFFFAOYSA-N 1 3 362.518 3.190 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000415918252 499928220 /nfs/dbraw/zinc/92/82/20/499928220.db2.gz FRUUXFIUQNXYAR-NRFANRHFSA-N 1 3 366.509 3.438 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000415926132 499929477 /nfs/dbraw/zinc/92/94/77/499929477.db2.gz CNYUQCWJTVEULY-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000415930020 499929622 /nfs/dbraw/zinc/92/96/22/499929622.db2.gz ZNHYUUIHQXVVRT-OXQOHEQNSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000415928798 499929681 /nfs/dbraw/zinc/92/96/81/499929681.db2.gz IFOGOIYAVHNUQG-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO C[C@H]1CCCCN1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965985 499934706 /nfs/dbraw/zinc/93/47/06/499934706.db2.gz FZXLZEIQINVGGU-LBPRGKRZSA-N 1 3 358.408 3.160 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)CC(C)C ZINC000415967039 499934987 /nfs/dbraw/zinc/93/49/87/499934987.db2.gz CWGREYCRQZTARG-SFHVURJKSA-N 1 3 362.518 3.047 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984169 499937442 /nfs/dbraw/zinc/93/74/42/499937442.db2.gz OYCCYUJDRGJDKT-OXQOHEQNSA-N 1 3 352.482 3.191 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416142103 499956766 /nfs/dbraw/zinc/95/67/66/499956766.db2.gz FQZWDWANAMBOBF-UHFFFAOYSA-N 1 3 357.542 3.015 20 0 FGADHO C[NH+](C)C1CCC(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000421369589 500030110 /nfs/dbraw/zinc/03/01/10/500030110.db2.gz IEXVICHKGTVPFP-UHFFFAOYSA-N 1 3 351.857 3.022 20 0 FGADHO CCOc1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cc1F ZINC000421375490 500031495 /nfs/dbraw/zinc/03/14/95/500031495.db2.gz PGBVJZRINFFOQL-UHFFFAOYSA-N 1 3 363.521 3.216 20 0 FGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417181 500073910 /nfs/dbraw/zinc/07/39/10/500073910.db2.gz MVKAKFYQYXZDKM-INIZCTEOSA-N 1 3 369.347 3.064 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429437279 500078360 /nfs/dbraw/zinc/07/83/60/500078360.db2.gz NHDLMNAZJUYTHC-HXUWFJFHSA-N 1 3 361.599 3.457 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400048 500094795 /nfs/dbraw/zinc/09/47/95/500094795.db2.gz XHJTXRJPSNOKFB-FQEVSTJZSA-N 1 3 357.542 3.230 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400048 500094796 /nfs/dbraw/zinc/09/47/96/500094796.db2.gz XHJTXRJPSNOKFB-FQEVSTJZSA-N 1 3 357.542 3.230 20 0 FGADHO [NH3+]C1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCCCCC1 ZINC000416793235 500122879 /nfs/dbraw/zinc/12/28/79/500122879.db2.gz NIYNYOOXPVNFEH-UHFFFAOYSA-N 1 3 358.530 3.002 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000416839911 500134777 /nfs/dbraw/zinc/13/47/77/500134777.db2.gz KPUMQZXOZSUHEA-FQEVSTJZSA-N 1 3 360.546 3.101 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c(C)c1 ZINC000414075685 500146468 /nfs/dbraw/zinc/14/64/68/500146468.db2.gz OCVMWTQZLZZCIG-LJQANCHMSA-N 1 3 368.525 3.262 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000416893126 500149418 /nfs/dbraw/zinc/14/94/18/500149418.db2.gz RFKBFAZWENWVFD-FQEVSTJZSA-N 1 3 354.498 3.028 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417690765 500149651 /nfs/dbraw/zinc/14/96/51/500149651.db2.gz LRPFDIWMAKDHMU-FXAWDEMLSA-N 1 3 360.546 3.227 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417693507 500150529 /nfs/dbraw/zinc/15/05/29/500150529.db2.gz QKYOFVACBREGJU-XVSDAANHSA-N 1 3 370.541 3.136 20 0 FGADHO C[C@@H](CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000582297289 506179575 /nfs/dbraw/zinc/17/95/75/506179575.db2.gz ZQONTFBMQYLEFP-MAUKXSAKSA-N 1 3 358.448 3.463 20 0 FGADHO CN1C[C@@H]2CCCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000425634735 500165598 /nfs/dbraw/zinc/16/55/98/500165598.db2.gz OKZCAZXAPHIKIC-PZJWPPBQSA-N 1 3 370.541 3.273 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000416982286 500174496 /nfs/dbraw/zinc/17/44/96/500174496.db2.gz MCZVZCKSZDJMGB-UHFFFAOYSA-N 1 3 366.509 3.131 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826351 500179571 /nfs/dbraw/zinc/17/95/71/500179571.db2.gz CECLRQHSPDETAW-UYAOXDASSA-N 1 3 372.557 3.213 20 0 FGADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826344 500179942 /nfs/dbraw/zinc/17/99/42/500179942.db2.gz CECLRQHSPDETAW-AZUAARDMSA-N 1 3 372.557 3.213 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843038 500182497 /nfs/dbraw/zinc/18/24/97/500182497.db2.gz QDEREZIVFKRAMQ-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccsc1 ZINC000417012142 500184091 /nfs/dbraw/zinc/18/40/91/500184091.db2.gz VWFIMAWVMINTGK-SJORKVTESA-N 1 3 354.564 3.146 20 0 FGADHO CC1(C)C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071385 500225654 /nfs/dbraw/zinc/22/56/54/500225654.db2.gz WGGBRVSTPMUMQP-PMACEKPBSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071385 500225657 /nfs/dbraw/zinc/22/56/57/500225657.db2.gz WGGBRVSTPMUMQP-PMACEKPBSA-N 1 3 358.526 3.072 20 0 FGADHO CC1(C)C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CO1 ZINC000418071385 500225658 /nfs/dbraw/zinc/22/56/58/500225658.db2.gz WGGBRVSTPMUMQP-PMACEKPBSA-N 1 3 358.526 3.072 20 0 FGADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244178 500240397 /nfs/dbraw/zinc/24/03/97/500240397.db2.gz KEWUTVNSUROKMM-UHFFFAOYSA-N 1 3 374.573 3.065 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179582 500243575 /nfs/dbraw/zinc/24/35/75/500243575.db2.gz JNJGACBGSKTACB-QAPCUYQASA-N 1 3 366.937 3.022 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000418188931 500245825 /nfs/dbraw/zinc/24/58/25/500245825.db2.gz UYIAZZAJSVDYKA-TWOQFEAHSA-N 1 3 354.498 3.197 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192320 500246699 /nfs/dbraw/zinc/24/66/99/500246699.db2.gz YKJIOCBNUKERQJ-BMGDILEWSA-N 1 3 366.937 3.020 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(CC)CC)cc1 ZINC000418218230 500251038 /nfs/dbraw/zinc/25/10/38/500251038.db2.gz QKYFGIZMRXCOSS-UXPWSPDFSA-N 1 3 360.546 3.072 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317788 500261162 /nfs/dbraw/zinc/26/11/62/500261162.db2.gz BCXFPYDJLBEMDZ-GHTZIAJQSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317788 500261165 /nfs/dbraw/zinc/26/11/65/500261165.db2.gz BCXFPYDJLBEMDZ-GHTZIAJQSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000418336718 500263989 /nfs/dbraw/zinc/26/39/89/500263989.db2.gz XHLAFBNXWJNODP-HKBOAZHASA-N 1 3 372.557 3.467 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000418336718 500263993 /nfs/dbraw/zinc/26/39/93/500263993.db2.gz XHLAFBNXWJNODP-HKBOAZHASA-N 1 3 372.557 3.467 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000418345515 500265826 /nfs/dbraw/zinc/26/58/26/500265826.db2.gz HIRLBFSNCUSQEO-NSISKUIASA-N 1 3 358.530 3.078 20 0 FGADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418409477 500273391 /nfs/dbraw/zinc/27/33/91/500273391.db2.gz AIESOVRXSNWKAR-MISYRCLQSA-N 1 3 360.546 3.054 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000418461003 500279610 /nfs/dbraw/zinc/27/96/10/500279610.db2.gz LGDIIJMCYZHYAW-MRXNPFEDSA-N 1 3 372.488 3.119 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000418458967 500279673 /nfs/dbraw/zinc/27/96/73/500279673.db2.gz IGXRWBXCNOGFAH-GNZRSQJKSA-N 1 3 358.530 3.112 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCN1 ZINC000422710574 500288360 /nfs/dbraw/zinc/28/83/60/500288360.db2.gz LLXHNFONICJZLE-UNEWFSDZSA-N 1 3 352.320 3.148 20 0 FGADHO COCCN(C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719920 500289145 /nfs/dbraw/zinc/28/91/45/500289145.db2.gz RQDAAQSGHGNCLW-CIAFKFPVSA-N 1 3 359.558 3.206 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717783 500289186 /nfs/dbraw/zinc/28/91/86/500289186.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 1 3 352.526 3.064 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717783 500289187 /nfs/dbraw/zinc/28/91/87/500289187.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 1 3 352.526 3.064 20 0 FGADHO C[N@H+](Cc1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727684 500291030 /nfs/dbraw/zinc/29/10/30/500291030.db2.gz DBUWVZOKMZWEHW-XZOQPEGZSA-N 1 3 371.569 3.308 20 0 FGADHO C[N@@H+](Cc1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727684 500291031 /nfs/dbraw/zinc/29/10/31/500291031.db2.gz DBUWVZOKMZWEHW-XZOQPEGZSA-N 1 3 371.569 3.308 20 0 FGADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1Cl ZINC000422741411 500293083 /nfs/dbraw/zinc/29/30/83/500293083.db2.gz DLFLRTCYRIYUIH-YCEFEEMOSA-N 1 3 353.938 3.065 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000422763506 500295156 /nfs/dbraw/zinc/29/51/56/500295156.db2.gz JDAJUQBKPLLOQP-FQEVSTJZSA-N 1 3 364.493 3.383 20 0 FGADHO COc1cccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)c1 ZINC000422763050 500295404 /nfs/dbraw/zinc/29/54/04/500295404.db2.gz OKOAMFISYNKOAO-NMNUPHIUSA-N 1 3 367.537 3.380 20 0 FGADHO COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)c1 ZINC000422763050 500295407 /nfs/dbraw/zinc/29/54/07/500295407.db2.gz OKOAMFISYNKOAO-NMNUPHIUSA-N 1 3 367.537 3.380 20 0 FGADHO c1sc(-c2ccccc2)nc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422784354 500297701 /nfs/dbraw/zinc/29/77/01/500297701.db2.gz LWGHBJYMSVPRKP-IPMKNSEASA-N 1 3 357.523 3.099 20 0 FGADHO Cc1ccc([C@@H](NC2CCC([NH3+])CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422800150 500299596 /nfs/dbraw/zinc/29/95/96/500299596.db2.gz ZGSIODRZORJZPA-GZNCHQMQSA-N 1 3 372.534 3.347 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422815500 500302069 /nfs/dbraw/zinc/30/20/69/500302069.db2.gz XRLRVWBLXMYAQN-FCHUYYIVSA-N 1 3 358.574 3.147 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422826954 500302496 /nfs/dbraw/zinc/30/24/96/500302496.db2.gz RRBLLRBVHHOEQH-ZFWWWQNUSA-N 1 3 353.894 3.093 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422826954 500302498 /nfs/dbraw/zinc/30/24/98/500302498.db2.gz RRBLLRBVHHOEQH-ZFWWWQNUSA-N 1 3 353.894 3.093 20 0 FGADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418656970 500302526 /nfs/dbraw/zinc/30/25/26/500302526.db2.gz TVWLVIYMHFHUFO-VQTJNVASSA-N 1 3 354.498 3.028 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841077 500304325 /nfs/dbraw/zinc/30/43/25/500304325.db2.gz VDNHBYDQZFHJCD-JSQNDZKTSA-N 1 3 360.420 3.205 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000430910739 500305406 /nfs/dbraw/zinc/30/54/06/500305406.db2.gz XJHOCHLDPSYLMW-AYWYSENESA-N 1 3 357.542 3.453 20 0 FGADHO CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418694618 500309153 /nfs/dbraw/zinc/30/91/53/500309153.db2.gz WAOLXMUNMKOINO-QUCCMNQESA-N 1 3 360.546 3.200 20 0 FGADHO CCOC(=O)C1([C@@H](C)NCc2cc(C)ccc2OC(F)F)CC[NH2+]CC1 ZINC000422878804 500309803 /nfs/dbraw/zinc/30/98/03/500309803.db2.gz UJCRRTGRVDEWDA-CQSZACIVSA-N 1 3 370.440 3.007 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422884609 500310304 /nfs/dbraw/zinc/31/03/04/500310304.db2.gz SEAKFMFAPBMILL-VBNZEHGJSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)c1ccc(Br)cc1 ZINC000422884609 500310306 /nfs/dbraw/zinc/31/03/06/500310306.db2.gz SEAKFMFAPBMILL-VBNZEHGJSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000422885496 500310588 /nfs/dbraw/zinc/31/05/88/500310588.db2.gz YXEJLSVHBOQSQJ-RGVPCPSESA-N 1 3 367.603 3.021 20 0 FGADHO C[C@H](NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422903516 500313990 /nfs/dbraw/zinc/31/39/90/500313990.db2.gz WHPITGQNKUDPSX-HDMKZQKVSA-N 1 3 366.347 3.396 20 0 FGADHO Cc1nccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cc1F ZINC000422904170 500314055 /nfs/dbraw/zinc/31/40/55/500314055.db2.gz PSWLREIAALVPFB-MGPUTAFESA-N 1 3 352.457 3.368 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418733432 500314547 /nfs/dbraw/zinc/31/45/47/500314547.db2.gz KXVFFKUYYSFCKG-GFOJFJKKSA-N 1 3 372.557 3.198 20 0 FGADHO c1sc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913804 500316226 /nfs/dbraw/zinc/31/62/26/500316226.db2.gz QTKYNOKHFFLKSP-FGTMMUONSA-N 1 3 363.571 3.480 20 0 FGADHO c1sc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422913805 500316290 /nfs/dbraw/zinc/31/62/90/500316290.db2.gz QTKYNOKHFFLKSP-KZNAEPCWSA-N 1 3 363.571 3.480 20 0 FGADHO COc1ccccc1SC[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422940567 500320657 /nfs/dbraw/zinc/32/06/57/500320657.db2.gz HBRYPOXSICGMPO-BRSBDYLESA-N 1 3 364.555 3.170 20 0 FGADHO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc(Br)c1OC ZINC000422947707 500321642 /nfs/dbraw/zinc/32/16/42/500321642.db2.gz QZKMJOXUIDOUIM-ZIAGYGMSSA-N 1 3 357.292 3.216 20 0 FGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCc1nc2c(s1)CCCC2 ZINC000422955340 500323437 /nfs/dbraw/zinc/32/34/37/500323437.db2.gz LWMZUSSEFDODBT-LAUBAEHRSA-N 1 3 369.534 3.410 20 0 FGADHO OCCC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422979092 500326805 /nfs/dbraw/zinc/32/68/05/500326805.db2.gz LGJKPDJKDLRMIQ-ONTIZHBOSA-N 1 3 352.478 3.346 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423018776 500331877 /nfs/dbraw/zinc/33/18/77/500331877.db2.gz ZSJIHLABNUNJHK-UONOGXRCSA-N 1 3 351.454 3.353 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])c2)n1 ZINC000423080921 500339915 /nfs/dbraw/zinc/33/99/15/500339915.db2.gz UAHIBGCPTYOQED-HZPDHXFCSA-N 1 3 359.495 3.204 20 0 FGADHO CCc1ccc([C@H](CN2CCOCC2)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292339 500361980 /nfs/dbraw/zinc/36/19/80/500361980.db2.gz MPLSISIUIJNRHM-MBSDFSHPSA-N 1 3 367.537 3.432 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[C@@H](C)[NH3+] ZINC000423311224 500363287 /nfs/dbraw/zinc/36/32/87/500363287.db2.gz SZIZUJBUPFMYQA-JFIYKMOQSA-N 1 3 351.560 3.257 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)NCC1([NH3+])CCC1 ZINC000423320467 500364038 /nfs/dbraw/zinc/36/40/38/500364038.db2.gz GKQFBGBRIQLGJO-LBPRGKRZSA-N 1 3 358.267 3.083 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000423347991 500366325 /nfs/dbraw/zinc/36/63/25/500366325.db2.gz RPLWDZJQJKJKDC-WOJBJXKFSA-N 1 3 353.510 3.440 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423388085 500369606 /nfs/dbraw/zinc/36/96/06/500369606.db2.gz SXRDBLKNSCKRAF-ZENOOKHLSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@@H](CCc1ccc(I)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423388085 500369608 /nfs/dbraw/zinc/36/96/08/500369608.db2.gz SXRDBLKNSCKRAF-ZENOOKHLSA-N 1 3 372.294 3.342 20 0 FGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394848 500370090 /nfs/dbraw/zinc/37/00/90/500370090.db2.gz SEOLIHNTZULZFY-MLGOLLRUSA-N 1 3 357.445 3.388 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482612 500378003 /nfs/dbraw/zinc/37/80/03/500378003.db2.gz PJXVVYZDZOHBFB-DFQSSKMNSA-N 1 3 364.555 3.202 20 0 FGADHO [NH3+]C1(CN[C@H]2CCCc3c(O)cccc32)CCN(Cc2ccccc2)CC1 ZINC000423579891 500386385 /nfs/dbraw/zinc/38/63/85/500386385.db2.gz WVAHLNWHHNSFKO-NRFANRHFSA-N 1 3 365.521 3.353 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000579517037 506193015 /nfs/dbraw/zinc/19/30/15/506193015.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000579517037 506193019 /nfs/dbraw/zinc/19/30/19/506193019.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330694 500442566 /nfs/dbraw/zinc/44/25/66/500442566.db2.gz BEMFHGNDUXRMJF-NZSAHSFTSA-N 1 3 351.494 3.488 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331427 500443530 /nfs/dbraw/zinc/44/35/30/500443530.db2.gz BXORDXZSRLBSFW-USNOLKROSA-N 1 3 357.542 3.136 20 0 FGADHO [NH3+]C[C@H](NCCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000420366263 500448295 /nfs/dbraw/zinc/44/82/95/500448295.db2.gz LYVRBUHYYSYNQZ-INIZCTEOSA-N 1 3 368.319 3.275 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420374935 500450064 /nfs/dbraw/zinc/45/00/64/500450064.db2.gz IDSZLSGZWWTTAE-LJQANCHMSA-N 1 3 371.529 3.140 20 0 FGADHO CC(C)(C)c1ccc(OCCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420374935 500450065 /nfs/dbraw/zinc/45/00/65/500450065.db2.gz IDSZLSGZWWTTAE-LJQANCHMSA-N 1 3 371.529 3.140 20 0 FGADHO CCCOc1ccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420394123 500454930 /nfs/dbraw/zinc/45/49/30/500454930.db2.gz RDYZPYGFDQDWQO-NQIIRXRSSA-N 1 3 362.514 3.073 20 0 FGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000420397320 500455629 /nfs/dbraw/zinc/45/56/29/500455629.db2.gz XHMLQEYCLANCJV-FUHWJXTLSA-N 1 3 372.431 3.303 20 0 FGADHO CN1CCC(C[NH2+][C@@H](C2CCC2)C2CCCCC2)(N2CCOCC2)CC1 ZINC000424277846 500480294 /nfs/dbraw/zinc/48/02/94/500480294.db2.gz BALHPFGYTNRFDP-OAQYLSRUSA-N 1 3 363.590 3.122 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420797165 500503431 /nfs/dbraw/zinc/50/34/31/500503431.db2.gz GQVDZBGHSZIZES-PPXMBRMGSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800752 500504422 /nfs/dbraw/zinc/50/44/22/500504422.db2.gz JRYAQFGDCQWWMM-GHOZHQTGSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000424445263 500506796 /nfs/dbraw/zinc/50/67/96/500506796.db2.gz OGXPQZOZWWGXIU-FQEVSTJZSA-N 1 3 352.482 3.412 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420813656 500508179 /nfs/dbraw/zinc/50/81/79/500508179.db2.gz YMLPVOGKYTVSBG-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420813656 500508182 /nfs/dbraw/zinc/50/81/82/500508182.db2.gz YMLPVOGKYTVSBG-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000432797963 500565634 /nfs/dbraw/zinc/56/56/34/500565634.db2.gz GXPLGZMUOUCQAI-RXVVDRJESA-N 1 3 357.542 3.244 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720679 /nfs/dbraw/zinc/72/06/79/500720679.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 1 3 358.448 3.413 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720682 /nfs/dbraw/zinc/72/06/82/500720682.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 1 3 358.448 3.413 20 0 FGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000438051468 500731882 /nfs/dbraw/zinc/73/18/82/500731882.db2.gz QWQWSTPOKCDBSC-AEFFLSMTSA-N 1 3 362.518 3.011 20 0 FGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170453 500749767 /nfs/dbraw/zinc/74/97/67/500749767.db2.gz XVEBOVNVMKCYQF-QZTJIDSGSA-N 1 3 358.448 3.415 20 0 FGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170453 500749768 /nfs/dbraw/zinc/74/97/68/500749768.db2.gz XVEBOVNVMKCYQF-QZTJIDSGSA-N 1 3 358.448 3.415 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448551534 500770992 /nfs/dbraw/zinc/77/09/92/500770992.db2.gz VYQWRKJYTYKKHK-NRFANRHFSA-N 1 3 351.494 3.015 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438348436 500774443 /nfs/dbraw/zinc/77/44/43/500774443.db2.gz XKLCFBPEXLTDNB-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348436 500774445 /nfs/dbraw/zinc/77/44/45/500774445.db2.gz XKLCFBPEXLTDNB-PXNSSMCTSA-N 1 3 364.578 3.155 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571826 500802992 /nfs/dbraw/zinc/80/29/92/500802992.db2.gz BFKPROQUCDEGNR-SFTDATJTSA-N 1 3 355.526 3.347 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438571826 500802994 /nfs/dbraw/zinc/80/29/94/500802994.db2.gz BFKPROQUCDEGNR-SFTDATJTSA-N 1 3 355.526 3.347 20 0 FGADHO C[C@H]1[NH2+]CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@H]1C ZINC000434673557 500877468 /nfs/dbraw/zinc/87/74/68/500877468.db2.gz QWJZBDKEDQMESD-MSOLQXFVSA-N 1 3 351.494 3.141 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000434905073 500910299 /nfs/dbraw/zinc/91/02/99/500910299.db2.gz IBADZJZOISDGAH-QHCPKHFHSA-N 1 3 371.569 3.320 20 0 FGADHO C[C@H](CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080918 500919664 /nfs/dbraw/zinc/91/96/64/500919664.db2.gz AHCRFIXMHROQHN-FGTMMUONSA-N 1 3 366.571 3.151 20 0 FGADHO C[C@H](CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080918 500919666 /nfs/dbraw/zinc/91/96/66/500919666.db2.gz AHCRFIXMHROQHN-FGTMMUONSA-N 1 3 366.571 3.151 20 0 FGADHO C[NH+](C)CCOc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000449090496 500922070 /nfs/dbraw/zinc/92/20/70/500922070.db2.gz NHLSQRQZNVDTSC-UHFFFAOYSA-N 1 3 370.493 3.468 20 0 FGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435380479 500963428 /nfs/dbraw/zinc/96/34/28/500963428.db2.gz NZVHMNUDRCIDMI-POZUXBRTSA-N 1 3 360.452 3.327 20 0 FGADHO COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383337 500964286 /nfs/dbraw/zinc/96/42/86/500964286.db2.gz GQESNHIBCQHBKZ-SLFFLAALSA-N 1 3 367.493 3.228 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382643 500964512 /nfs/dbraw/zinc/96/45/12/500964512.db2.gz DXYYXDPQCRAEGL-VLCRHTCISA-N 1 3 373.504 3.494 20 0 FGADHO CCOc1cc(CN2CCC(C[NH2+]C)CC2)ccc1OCC(F)(F)F ZINC000435395373 500967519 /nfs/dbraw/zinc/96/75/19/500967519.db2.gz POPHCKRWTPSTSJ-UHFFFAOYSA-N 1 3 360.420 3.458 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115664 500976486 /nfs/dbraw/zinc/97/64/86/500976486.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115664 500976489 /nfs/dbraw/zinc/97/64/89/500976489.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@@H](Cc1coc2ccccc12)NCc1ccncc1OCC[NH+](C)C ZINC000449327534 500979001 /nfs/dbraw/zinc/97/90/01/500979001.db2.gz DYBZZWWMURNXNO-INIZCTEOSA-N 1 3 353.466 3.489 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449364938 500987658 /nfs/dbraw/zinc/98/76/58/500987658.db2.gz UKZNWJHZADQPKM-WTNAPCKOSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364938 500987660 /nfs/dbraw/zinc/98/76/60/500987660.db2.gz UKZNWJHZADQPKM-WTNAPCKOSA-N 1 3 356.485 3.372 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486448 501015172 /nfs/dbraw/zinc/01/51/72/501015172.db2.gz SHXLWVOEAPUOTO-ZWKOTPCHSA-N 1 3 362.514 3.252 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486448 501015175 /nfs/dbraw/zinc/01/51/75/501015175.db2.gz SHXLWVOEAPUOTO-ZWKOTPCHSA-N 1 3 362.514 3.252 20 0 FGADHO CC1(C)CCc2ccccc2[C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000440611145 501029152 /nfs/dbraw/zinc/02/91/52/501029152.db2.gz NMUXGWNCAWNDEW-OAQYLSRUSA-N 1 3 369.553 3.423 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550155 501030708 /nfs/dbraw/zinc/03/07/08/501030708.db2.gz CJKKCSKMVBEBNP-RZUBCFFCSA-N 1 3 371.569 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550155 501030709 /nfs/dbraw/zinc/03/07/09/501030709.db2.gz CJKKCSKMVBEBNP-RZUBCFFCSA-N 1 3 371.569 3.202 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560586 501033897 /nfs/dbraw/zinc/03/38/97/501033897.db2.gz NACCYGJWECINEF-WWTUQBGBSA-N 1 3 365.905 3.281 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560586 501033898 /nfs/dbraw/zinc/03/38/98/501033898.db2.gz NACCYGJWECINEF-WWTUQBGBSA-N 1 3 365.905 3.281 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615787 501044343 /nfs/dbraw/zinc/04/43/43/501044343.db2.gz ABLSBFSYVUPKKB-HXUWFJFHSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615787 501044344 /nfs/dbraw/zinc/04/43/44/501044344.db2.gz ABLSBFSYVUPKKB-HXUWFJFHSA-N 1 3 359.558 3.202 20 0 FGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000446002797 501061472 /nfs/dbraw/zinc/06/14/72/501061472.db2.gz PENBSNFHPVMXID-FDFHNCONSA-N 1 3 365.521 3.331 20 0 FGADHO C[N@H+]1CCN(CCNCc2ccc(Br)cc2Cl)CC1(C)C ZINC000441353409 501125982 /nfs/dbraw/zinc/12/59/82/501125982.db2.gz ZIPGNXPFRDRZOT-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO C[N@@H+]1CCN(CCNCc2ccc(Br)cc2Cl)CC1(C)C ZINC000441353409 501125977 /nfs/dbraw/zinc/12/59/77/501125977.db2.gz ZIPGNXPFRDRZOT-UHFFFAOYSA-N 1 3 374.754 3.218 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446625386 501143806 /nfs/dbraw/zinc/14/38/06/501143806.db2.gz SYCHRPQGXFWXNL-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446625386 501143811 /nfs/dbraw/zinc/14/38/11/501143811.db2.gz SYCHRPQGXFWXNL-SFHVURJKSA-N 1 3 364.578 3.157 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000451179115 501250225 /nfs/dbraw/zinc/25/02/25/501250225.db2.gz CKWOTIGVTWGVID-OPYAIIAOSA-N 1 3 357.542 3.242 20 0 FGADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110749 501271714 /nfs/dbraw/zinc/27/17/14/501271714.db2.gz OIMCPZDARSPLHT-VXKWHMMOSA-N 1 3 369.553 3.442 20 0 FGADHO CCc1ccccc1CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313035 /nfs/dbraw/zinc/31/30/35/501313035.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 1 3 357.542 3.015 20 0 FGADHO CCc1ccccc1CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313037 /nfs/dbraw/zinc/31/30/37/501313037.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 1 3 357.542 3.015 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483498 501315246 /nfs/dbraw/zinc/31/52/46/501315246.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 1 3 372.557 3.067 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483498 501315250 /nfs/dbraw/zinc/31/52/50/501315250.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 1 3 372.557 3.067 20 0 FGADHO CCS(=O)(=O)c1c(Cl)cccc1CNCCCC[N@H+](C)C1CC1 ZINC000453595735 501356936 /nfs/dbraw/zinc/35/69/36/501356936.db2.gz KQRVFUWKCSZSCM-UHFFFAOYSA-N 1 3 358.935 3.098 20 0 FGADHO CCS(=O)(=O)c1c(Cl)cccc1CNCCCC[N@@H+](C)C1CC1 ZINC000453595735 501356937 /nfs/dbraw/zinc/35/69/37/501356937.db2.gz KQRVFUWKCSZSCM-UHFFFAOYSA-N 1 3 358.935 3.098 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000458093792 501371191 /nfs/dbraw/zinc/37/11/91/501371191.db2.gz QNJLWMGFJGKIOA-FQEVSTJZSA-N 1 3 374.573 3.461 20 0 FGADHO CN1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)C1 ZINC000455864514 501402297 /nfs/dbraw/zinc/40/22/97/501402297.db2.gz SYYXJAJUFQVAGU-CTNGQTDRSA-N 1 3 356.514 3.185 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000611671570 506251562 /nfs/dbraw/zinc/25/15/62/506251562.db2.gz XIRPXHONDKWJSA-RTWAWAEBSA-N 1 3 372.557 3.122 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455937355 501420671 /nfs/dbraw/zinc/42/06/71/501420671.db2.gz SHOHWYLZQVXXPN-FQEVSTJZSA-N 1 3 370.497 3.424 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458396859 501435538 /nfs/dbraw/zinc/43/55/38/501435538.db2.gz DCZLDQDXQLQRQD-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396859 501435540 /nfs/dbraw/zinc/43/55/40/501435540.db2.gz DCZLDQDXQLQRQD-RTBURBONSA-N 1 3 372.557 3.243 20 0 FGADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000454344509 501519150 /nfs/dbraw/zinc/51/91/50/501519150.db2.gz URSUHSMTGUOQPW-OAQYLSRUSA-N 1 3 372.557 3.216 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(CC)CC)cc1 ZINC000458792080 501532802 /nfs/dbraw/zinc/53/28/02/501532802.db2.gz LCNZSEIZVNQPCF-CTNGQTDRSA-N 1 3 374.573 3.225 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458792338 501532952 /nfs/dbraw/zinc/53/29/52/501532952.db2.gz QSMPFAXDTTVLJT-CRAIPNDOSA-N 1 3 366.575 3.039 20 0 FGADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458792338 501532954 /nfs/dbraw/zinc/53/29/54/501532954.db2.gz QSMPFAXDTTVLJT-CRAIPNDOSA-N 1 3 366.575 3.039 20 0 FGADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000454465998 501552194 /nfs/dbraw/zinc/55/21/94/501552194.db2.gz XIRFNJJASOIPIN-SFHVURJKSA-N 1 3 352.567 3.059 20 0 FGADHO CN(C)C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133042 501600648 /nfs/dbraw/zinc/60/06/48/501600648.db2.gz BZFPVVSMSONRRZ-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO CN(C)C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133042 501600649 /nfs/dbraw/zinc/60/06/49/501600649.db2.gz BZFPVVSMSONRRZ-SFHVURJKSA-N 1 3 366.937 3.116 20 0 FGADHO COC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522943 501669234 /nfs/dbraw/zinc/66/92/34/501669234.db2.gz LDSJUJLCVVGPKO-FCHUYYIVSA-N 1 3 360.542 3.151 20 0 FGADHO COC[C@@H](O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522943 501669236 /nfs/dbraw/zinc/66/92/36/501669236.db2.gz LDSJUJLCVVGPKO-FCHUYYIVSA-N 1 3 360.542 3.151 20 0 FGADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000459566620 501678219 /nfs/dbraw/zinc/67/82/19/501678219.db2.gz HOLRQDHNZHRLRA-SJORKVTESA-N 1 3 364.493 3.006 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)N(C)C)cc1 ZINC000457477541 501706290 /nfs/dbraw/zinc/70/62/90/501706290.db2.gz LNDBYIKVXWLVRZ-NRFANRHFSA-N 1 3 372.557 3.168 20 0 FGADHO C[N@H+](CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000457492836 501709689 /nfs/dbraw/zinc/70/96/89/501709689.db2.gz PSEXQKOFIUSBPR-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO C[N@@H+](CCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000457492836 501709692 /nfs/dbraw/zinc/70/96/92/501709692.db2.gz PSEXQKOFIUSBPR-QGZVFWFLSA-N 1 3 364.559 3.059 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457535008 501718115 /nfs/dbraw/zinc/71/81/15/501718115.db2.gz SKJQQXMYPCZTAP-QFIPXVFZSA-N 1 3 372.557 3.156 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000477633425 501745546 /nfs/dbraw/zinc/74/55/46/501745546.db2.gz HDGBIKCWNIZMQD-QGZVFWFLSA-N 1 3 360.546 3.313 20 0 FGADHO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000467353858 501775967 /nfs/dbraw/zinc/77/59/67/501775967.db2.gz BDOGAUCHSSZOBQ-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467353858 501775972 /nfs/dbraw/zinc/77/59/72/501775972.db2.gz BDOGAUCHSSZOBQ-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccc(C[C@H](CO)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467353858 501775979 /nfs/dbraw/zinc/77/59/79/501775979.db2.gz BDOGAUCHSSZOBQ-OLKYXYMISA-N 1 3 364.533 3.399 20 0 FGADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1 ZINC000467358785 501777128 /nfs/dbraw/zinc/77/71/28/501777128.db2.gz MCMJWSCTAMKHBC-UFYCRDLUSA-N 1 3 374.573 3.098 20 0 FGADHO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460359939 501804034 /nfs/dbraw/zinc/80/40/34/501804034.db2.gz PKGNKWGRZQTJEO-RQZVMEALSA-N 1 3 371.569 3.428 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383398 501810362 /nfs/dbraw/zinc/81/03/62/501810362.db2.gz IAKYWFNHLFLCCQ-SVFBPWRDSA-N 1 3 368.562 3.131 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489547 501835116 /nfs/dbraw/zinc/83/51/16/501835116.db2.gz JNANQVONRKTMTE-FQEVSTJZSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CCC2)C1 ZINC000470867809 501835309 /nfs/dbraw/zinc/83/53/09/501835309.db2.gz GKAHFQCQAPGOKE-IBGZPJMESA-N 1 3 369.553 3.422 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000460484402 501835354 /nfs/dbraw/zinc/83/53/54/501835354.db2.gz XDJVCJDKXICNTF-DYXWJJEUSA-N 1 3 374.573 3.317 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000460484402 501835359 /nfs/dbraw/zinc/83/53/59/501835359.db2.gz XDJVCJDKXICNTF-DYXWJJEUSA-N 1 3 374.573 3.317 20 0 FGADHO CN1CCO[C@H]([C@H](NCC2(C)CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000467630740 501837063 /nfs/dbraw/zinc/83/70/63/501837063.db2.gz SADHHAAWJXNZTC-RBUKOAKNSA-N 1 3 365.949 3.033 20 0 FGADHO CC(C)CNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497691 501838592 /nfs/dbraw/zinc/83/85/92/501838592.db2.gz VWYHOGZPXSSTKF-LJQANCHMSA-N 1 3 357.542 3.135 20 0 FGADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470885623 501842507 /nfs/dbraw/zinc/84/25/07/501842507.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470885623 501842509 /nfs/dbraw/zinc/84/25/09/501842509.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)Cc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000474486557 501852494 /nfs/dbraw/zinc/85/24/94/501852494.db2.gz SLZMCJMIOFVCNU-UHFFFAOYSA-N 1 3 355.873 3.272 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000467842676 501889175 /nfs/dbraw/zinc/88/91/75/501889175.db2.gz RJDNUZNCIIVNAM-MRXNPFEDSA-N 1 3 360.452 3.223 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000464071302 501890465 /nfs/dbraw/zinc/89/04/65/501890465.db2.gz XAVZJAPGKLAIBJ-FDFHNCONSA-N 1 3 372.553 3.328 20 0 FGADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468116503 501962246 /nfs/dbraw/zinc/96/22/46/501962246.db2.gz FWRYYLVHHPJQKZ-IEBWSBKVSA-N 1 3 363.571 3.013 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115045 501978750 /nfs/dbraw/zinc/97/87/50/501978750.db2.gz OZLDLTXMDSRWNF-DYESRHJHSA-N 1 3 361.493 3.364 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115045 501978753 /nfs/dbraw/zinc/97/87/53/501978753.db2.gz OZLDLTXMDSRWNF-DYESRHJHSA-N 1 3 361.493 3.364 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000474941706 501999472 /nfs/dbraw/zinc/99/94/72/501999472.db2.gz CANBKEBLUCXSGD-HSZRJFAPSA-N 1 3 369.553 3.233 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000474941706 501999479 /nfs/dbraw/zinc/99/94/79/501999479.db2.gz CANBKEBLUCXSGD-HSZRJFAPSA-N 1 3 369.553 3.233 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC000486094720 502044970 /nfs/dbraw/zinc/04/49/70/502044970.db2.gz MMDBPOZRLYNDMP-UHFFFAOYSA-N 1 3 352.567 3.155 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791409 502086012 /nfs/dbraw/zinc/08/60/12/502086012.db2.gz DRUHYNZEUUHBLS-QUCCMNQESA-N 1 3 372.557 3.243 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000486355518 502131801 /nfs/dbraw/zinc/13/18/01/502131801.db2.gz HHSVRAXDDWEXSN-UHFFFAOYSA-N 1 3 355.482 3.331 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479049551 502147054 /nfs/dbraw/zinc/14/70/54/502147054.db2.gz GWRFKBBQBYOQJH-VQTJNVASSA-N 1 3 357.473 3.067 20 0 FGADHO COCCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147830 /nfs/dbraw/zinc/14/78/30/502147830.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 1 3 366.505 3.276 20 0 FGADHO COCCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147833 /nfs/dbraw/zinc/14/78/33/502147833.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 1 3 366.505 3.276 20 0 FGADHO Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000468749170 502169910 /nfs/dbraw/zinc/16/99/10/502169910.db2.gz JCBYZIWAFWUEJP-AWEZNQCLSA-N 1 3 365.424 3.038 20 0 FGADHO Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000468749170 502169915 /nfs/dbraw/zinc/16/99/15/502169915.db2.gz JCBYZIWAFWUEJP-AWEZNQCLSA-N 1 3 365.424 3.038 20 0 FGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000479208261 502192767 /nfs/dbraw/zinc/19/27/67/502192767.db2.gz UQVRXKFHBQSLMT-FQEVSTJZSA-N 1 3 357.473 3.025 20 0 FGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000479208261 502192770 /nfs/dbraw/zinc/19/27/70/502192770.db2.gz UQVRXKFHBQSLMT-FQEVSTJZSA-N 1 3 357.473 3.025 20 0 FGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2ccccc2c1 ZINC000482887104 502206983 /nfs/dbraw/zinc/20/69/83/502206983.db2.gz PDYULCWPPHTUDZ-QGZVFWFLSA-N 1 3 353.510 3.433 20 0 FGADHO CC(C)Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894817 502209629 /nfs/dbraw/zinc/20/96/29/502209629.db2.gz XKQNVYKXEXNNCS-SFHVURJKSA-N 1 3 359.558 3.478 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000472051713 502211503 /nfs/dbraw/zinc/21/15/03/502211503.db2.gz IJKSCEKNBNLTMR-VQTJNVASSA-N 1 3 360.546 3.195 20 0 FGADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000461946411 502247780 /nfs/dbraw/zinc/24/77/80/502247780.db2.gz GSGLERPFHKTQBF-PMACEKPBSA-N 1 3 360.546 3.195 20 0 FGADHO CC(C)OCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163678 502254415 /nfs/dbraw/zinc/25/44/15/502254415.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 1 3 360.542 3.151 20 0 FGADHO CC(C)OCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163678 502254418 /nfs/dbraw/zinc/25/44/18/502254418.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 1 3 360.542 3.151 20 0 FGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141581 502288397 /nfs/dbraw/zinc/28/83/97/502288397.db2.gz KKAJEEVIYUPZIN-BSXFFOKHSA-N 1 3 371.447 3.482 20 0 FGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483141581 502288400 /nfs/dbraw/zinc/28/84/00/502288400.db2.gz KKAJEEVIYUPZIN-BSXFFOKHSA-N 1 3 371.447 3.482 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147812 502291039 /nfs/dbraw/zinc/29/10/39/502291039.db2.gz SKFXCADURBXPJE-RXVVDRJESA-N 1 3 356.514 3.099 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147812 502291043 /nfs/dbraw/zinc/29/10/43/502291043.db2.gz SKFXCADURBXPJE-RXVVDRJESA-N 1 3 356.514 3.099 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196439 502310875 /nfs/dbraw/zinc/31/08/75/502310875.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000483196439 502310880 /nfs/dbraw/zinc/31/08/80/502310880.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 1 3 357.542 3.278 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487064045 502345491 /nfs/dbraw/zinc/34/54/91/502345491.db2.gz BMOXYOBKEBWWSO-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000487064045 502345494 /nfs/dbraw/zinc/34/54/94/502345494.db2.gz BMOXYOBKEBWWSO-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744686 502367047 /nfs/dbraw/zinc/36/70/47/502367047.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465744686 502367053 /nfs/dbraw/zinc/36/70/53/502367053.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000479835503 502392311 /nfs/dbraw/zinc/39/23/11/502392311.db2.gz BBCXIEXMQNNEQP-OALUTQOASA-N 1 3 373.541 3.258 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000465861124 502406207 /nfs/dbraw/zinc/40/62/07/502406207.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000465861124 502406210 /nfs/dbraw/zinc/40/62/10/502406210.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000483600119 502440343 /nfs/dbraw/zinc/44/03/43/502440343.db2.gz RIGDXDCBYZXZKF-VXKWHMMOSA-N 1 3 369.553 3.231 20 0 FGADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600119 502440349 /nfs/dbraw/zinc/44/03/49/502440349.db2.gz RIGDXDCBYZXZKF-VXKWHMMOSA-N 1 3 369.553 3.231 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495386 /nfs/dbraw/zinc/49/53/86/502495386.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 1 3 360.546 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495390 /nfs/dbraw/zinc/49/53/90/502495390.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 1 3 360.546 3.021 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000466295821 502530289 /nfs/dbraw/zinc/53/02/89/502530289.db2.gz HHKZHKTYTYRSRG-LJQANCHMSA-N 1 3 374.529 3.013 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000466295821 502530292 /nfs/dbraw/zinc/53/02/92/502530292.db2.gz HHKZHKTYTYRSRG-LJQANCHMSA-N 1 3 374.529 3.013 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000487826041 502540768 /nfs/dbraw/zinc/54/07/68/502540768.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000487826041 502540774 /nfs/dbraw/zinc/54/07/74/502540774.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 1 3 364.578 3.157 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000466345190 502542940 /nfs/dbraw/zinc/54/29/40/502542940.db2.gz DRCJVDDEZCBWHV-STZQEDGTSA-N 1 3 372.553 3.328 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749071 502556609 /nfs/dbraw/zinc/55/66/09/502556609.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749071 502556612 /nfs/dbraw/zinc/55/66/12/502556612.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496761 502610304 /nfs/dbraw/zinc/61/03/04/502610304.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496761 502610308 /nfs/dbraw/zinc/61/03/08/502610308.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496762 502610462 /nfs/dbraw/zinc/61/04/62/502610462.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496762 502610465 /nfs/dbraw/zinc/61/04/65/502610465.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 1 3 369.553 3.376 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290290 502616092 /nfs/dbraw/zinc/61/60/92/502616092.db2.gz BZMSKMBEVUMGMB-FGTMMUONSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000469979805 502617056 /nfs/dbraw/zinc/61/70/56/502617056.db2.gz ABKIXAVZJGNNBZ-IBGZPJMESA-N 1 3 373.541 3.042 20 0 FGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480641694 502630198 /nfs/dbraw/zinc/63/01/98/502630198.db2.gz QKBXCFXUJJYJNF-QGZVFWFLSA-N 1 3 367.559 3.221 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[NH+]1CCCCC1)N(C)C ZINC000476984056 502641185 /nfs/dbraw/zinc/64/11/85/502641185.db2.gz PZVVDDAUKFCHBH-ICSRJNTNSA-N 1 3 360.546 3.161 20 0 FGADHO CC(CN1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053142 502663459 /nfs/dbraw/zinc/66/34/59/502663459.db2.gz ZDCNRYFIRDQVPL-FGZHOGPDSA-N 1 3 364.574 3.408 20 0 FGADHO CC(CN1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053142 502663463 /nfs/dbraw/zinc/66/34/63/502663463.db2.gz ZDCNRYFIRDQVPL-FGZHOGPDSA-N 1 3 364.574 3.408 20 0 FGADHO C[C@H](CN1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053141 502663889 /nfs/dbraw/zinc/66/38/89/502663889.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 1 3 364.574 3.408 20 0 FGADHO C[C@H](CN1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053141 502663893 /nfs/dbraw/zinc/66/38/93/502663893.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 1 3 364.574 3.408 20 0 FGADHO C[C@@H](CN1CCC[C@]2(CCCOC2)C1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053141 502663899 /nfs/dbraw/zinc/66/38/99/502663899.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 1 3 364.574 3.408 20 0 FGADHO C[C@@H](CN1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053141 502663902 /nfs/dbraw/zinc/66/39/02/502663902.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 1 3 364.574 3.408 20 0 FGADHO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000463087744 502689776 /nfs/dbraw/zinc/68/97/76/502689776.db2.gz WQPUQGDNLRZVFT-GOSISDBHSA-N 1 3 372.557 3.292 20 0 FGADHO CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000488470839 502724665 /nfs/dbraw/zinc/72/46/65/502724665.db2.gz WPJBNPQAOBERRS-PWRODBHTSA-N 1 3 369.553 3.183 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022238 502730300 /nfs/dbraw/zinc/73/03/00/502730300.db2.gz JZDFOVDHQUBTRO-WIYYLYMNSA-N 1 3 354.494 3.373 20 0 FGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC(C)C)C1 ZINC000477314951 502739866 /nfs/dbraw/zinc/73/98/66/502739866.db2.gz FREMBYBQKYILOJ-GOSISDBHSA-N 1 3 354.583 3.116 20 0 FGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)CC(C)C)C1 ZINC000477314951 502739868 /nfs/dbraw/zinc/73/98/68/502739868.db2.gz FREMBYBQKYILOJ-GOSISDBHSA-N 1 3 354.583 3.116 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000477342549 502748582 /nfs/dbraw/zinc/74/85/82/502748582.db2.gz RYGZVIVVBKVFBN-PZJWPPBQSA-N 1 3 372.557 3.167 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000470366032 502752175 /nfs/dbraw/zinc/75/21/75/502752175.db2.gz BGIQVTRBJSTEMK-VQIMIIECSA-N 1 3 355.507 3.164 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CNC3)[C@@H]1c1cccs1 ZINC000470366032 502752178 /nfs/dbraw/zinc/75/21/78/502752178.db2.gz BGIQVTRBJSTEMK-VQIMIIECSA-N 1 3 355.507 3.164 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380947 502831848 /nfs/dbraw/zinc/83/18/48/502831848.db2.gz SXECTPIVBIJYMS-PKOBYXMFSA-N 1 3 363.546 3.486 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000505509654 502921588 /nfs/dbraw/zinc/92/15/88/502921588.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000505509654 502921594 /nfs/dbraw/zinc/92/15/94/502921594.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H]([NH2+]C1(CNC(=O)N2CCN3CCC2CC3)CCCC1)c1ccccc1 ZINC000497438067 502960044 /nfs/dbraw/zinc/96/00/44/502960044.db2.gz KLPIPAHFKRDTPC-SFHVURJKSA-N 1 3 370.541 3.140 20 0 FGADHO CN(CCCN1CCN(c2ccccc2)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000509667427 502962742 /nfs/dbraw/zinc/96/27/42/502962742.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 1 3 358.574 3.005 20 0 FGADHO CN(CCCN1CCN(c2ccccc2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000509667427 502962746 /nfs/dbraw/zinc/96/27/46/502962746.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 1 3 358.574 3.005 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509667427 502962751 /nfs/dbraw/zinc/96/27/51/502962751.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 1 3 358.574 3.005 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509667427 502962754 /nfs/dbraw/zinc/96/27/54/502962754.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 1 3 358.574 3.005 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489516725 502976692 /nfs/dbraw/zinc/97/66/92/502976692.db2.gz TZAYOUXNGGUKQX-CTNGQTDRSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489516725 502976697 /nfs/dbraw/zinc/97/66/97/502976697.db2.gz TZAYOUXNGGUKQX-CTNGQTDRSA-N 1 3 374.573 3.126 20 0 FGADHO CN1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513673506 502997758 /nfs/dbraw/zinc/99/77/58/502997758.db2.gz SMDFSZILBPXABR-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513673506 502997760 /nfs/dbraw/zinc/99/77/60/502997760.db2.gz SMDFSZILBPXABR-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@H+]1CC[C@H](NCCOc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513673506 502997762 /nfs/dbraw/zinc/99/77/62/502997762.db2.gz SMDFSZILBPXABR-IXDOHACOSA-N 1 3 353.304 3.290 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497745108 503030535 /nfs/dbraw/zinc/03/05/35/503030535.db2.gz IDCCMZLTTXZVKN-GOSISDBHSA-N 1 3 367.603 3.119 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000497745108 503030539 /nfs/dbraw/zinc/03/05/39/503030539.db2.gz IDCCMZLTTXZVKN-GOSISDBHSA-N 1 3 367.603 3.119 20 0 FGADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547175 503034704 /nfs/dbraw/zinc/03/47/04/503034704.db2.gz SIAZZKRZAAWTIZ-LJQANCHMSA-N 1 3 372.557 3.346 20 0 FGADHO CC(C)[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCC(C)CC1 ZINC000510345960 503096068 /nfs/dbraw/zinc/09/60/68/503096068.db2.gz IRFGPXREVRWVQC-LJQANCHMSA-N 1 3 364.578 3.013 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000514163621 503102519 /nfs/dbraw/zinc/10/25/19/503102519.db2.gz ZUWDVAFDJGUWCS-NRFANRHFSA-N 1 3 374.573 3.415 20 0 FGADHO COCc1ccccc1/C=C(\C)CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000510391019 503105035 /nfs/dbraw/zinc/10/50/35/503105035.db2.gz GJIDIGOHBJALEX-KNTRCKAVSA-N 1 3 371.569 3.385 20 0 FGADHO Cc1ccc([C@H]2C[C@H](C)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088761 503106745 /nfs/dbraw/zinc/10/67/45/503106745.db2.gz JEJDGHZCWDKZBB-ICSRJNTNSA-N 1 3 357.542 3.162 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501920660 503108999 /nfs/dbraw/zinc/10/89/99/503108999.db2.gz VOSDBDAWXFNCHY-DLBZAZTESA-N 1 3 364.534 3.130 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)N(C)C)cc1 ZINC000514220104 503117054 /nfs/dbraw/zinc/11/70/54/503117054.db2.gz UWLHYURNDOOPCG-SBHAEUEKSA-N 1 3 374.573 3.265 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000490185704 503126175 /nfs/dbraw/zinc/12/61/75/503126175.db2.gz ZNHNQEBRUOZIEZ-NQIIRXRSSA-N 1 3 374.573 3.407 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000502219093 503164497 /nfs/dbraw/zinc/16/44/97/503164497.db2.gz YDOCEUUADLOLCJ-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)Cc1ccccc1 ZINC000498555987 503210689 /nfs/dbraw/zinc/21/06/89/503210689.db2.gz DDDOCPFGBDKJIH-JOCHJYFZSA-N 1 3 367.537 3.431 20 0 FGADHO C[NH+](C)CCOc1cnccc1CN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000515088917 503268873 /nfs/dbraw/zinc/26/88/73/503268873.db2.gz CSWYZCGASXOITN-SFTDATJTSA-N 1 3 369.509 3.358 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109623 503274293 /nfs/dbraw/zinc/27/42/93/503274293.db2.gz TXVUUBVFNOYSIU-FSAOVCISSA-N 1 3 372.557 3.050 20 0 FGADHO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000491109623 503274294 /nfs/dbraw/zinc/27/42/94/503274294.db2.gz TXVUUBVFNOYSIU-FSAOVCISSA-N 1 3 372.557 3.050 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832395 503283459 /nfs/dbraw/zinc/28/34/59/503283459.db2.gz RMYIBOUFSLBIIV-MHJFOBGBSA-N 1 3 364.578 3.203 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415174 503296940 /nfs/dbraw/zinc/29/69/40/503296940.db2.gz UCYRSCISSPFLMV-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415174 503296944 /nfs/dbraw/zinc/29/69/44/503296944.db2.gz UCYRSCISSPFLMV-RBUKOAKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507462430 503302358 /nfs/dbraw/zinc/30/23/58/503302358.db2.gz OYJDEHWXBGCMGD-VDHUWJSZSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507462430 503302360 /nfs/dbraw/zinc/30/23/60/503302360.db2.gz OYJDEHWXBGCMGD-VDHUWJSZSA-N 1 3 356.432 3.454 20 0 FGADHO C[C@H](COCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507462430 503302364 /nfs/dbraw/zinc/30/23/64/503302364.db2.gz OYJDEHWXBGCMGD-VDHUWJSZSA-N 1 3 356.432 3.454 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccco1 ZINC000502899931 503303542 /nfs/dbraw/zinc/30/35/42/503303542.db2.gz QESVJINPIRAVCA-SZMVWBNQSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899931 503303546 /nfs/dbraw/zinc/30/35/46/503303546.db2.gz QESVJINPIRAVCA-SZMVWBNQSA-N 1 3 362.518 3.025 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)C ZINC000503091113 503345521 /nfs/dbraw/zinc/34/55/21/503345521.db2.gz FGESTYAHWQBIHW-QUCCMNQESA-N 1 3 374.573 3.407 20 0 FGADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000503428398 503407343 /nfs/dbraw/zinc/40/73/43/503407343.db2.gz OEJAVQQURNYTOB-AQEOSJORSA-N 1 3 362.518 3.025 20 0 FGADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503443842 503410589 /nfs/dbraw/zinc/41/05/89/503410589.db2.gz SCIUZPCEVOGHHY-FQEVSTJZSA-N 1 3 364.578 3.016 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1ccccc1 ZINC000499511285 503421976 /nfs/dbraw/zinc/42/19/76/503421976.db2.gz ZUMGOTACBZSGIA-SFHVURJKSA-N 1 3 363.571 3.043 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1ccccc1 ZINC000499511285 503421978 /nfs/dbraw/zinc/42/19/78/503421978.db2.gz ZUMGOTACBZSGIA-SFHVURJKSA-N 1 3 363.571 3.043 20 0 FGADHO Cc1nc2ccc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)cc2s1 ZINC000516604022 503547441 /nfs/dbraw/zinc/54/74/41/503547441.db2.gz LTHSXFBBYAKPPT-UHFFFAOYSA-N 1 3 358.555 3.064 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](N(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512435492 503550265 /nfs/dbraw/zinc/55/02/65/503550265.db2.gz JDIYFCBDRDINRS-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](N(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435492 503550271 /nfs/dbraw/zinc/55/02/71/503550271.db2.gz JDIYFCBDRDINRS-GIVPXCGWSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000508895908 503592316 /nfs/dbraw/zinc/59/23/16/503592316.db2.gz MAZKXRWLLDXFJE-GNBUJSLZSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000508895908 503592317 /nfs/dbraw/zinc/59/23/17/503592317.db2.gz MAZKXRWLLDXFJE-GNBUJSLZSA-N 1 3 360.546 3.110 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)C ZINC000508923803 503601539 /nfs/dbraw/zinc/60/15/39/503601539.db2.gz OLEOIPZWUMHFKC-QIJZPMMNSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N(C)C ZINC000508923803 503601541 /nfs/dbraw/zinc/60/15/41/503601541.db2.gz OLEOIPZWUMHFKC-QIJZPMMNSA-N 1 3 372.557 3.112 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(OC)c3C)CC2)CC1 ZINC000516876320 503606074 /nfs/dbraw/zinc/60/60/74/503606074.db2.gz UJSUZODFRPYPJY-UHFFFAOYSA-N 1 3 373.541 3.447 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000517112047 503672012 /nfs/dbraw/zinc/67/20/12/503672012.db2.gz IEKXHVZLCUGDJN-LEWJYISDSA-N 1 3 372.557 3.258 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255813 503694388 /nfs/dbraw/zinc/69/43/88/503694388.db2.gz XQRITVHZCBNRHW-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@@H](NCc2ccnc(-n3cccn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000517255813 503694394 /nfs/dbraw/zinc/69/43/94/503694394.db2.gz XQRITVHZCBNRHW-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857413 503742493 /nfs/dbraw/zinc/74/24/93/503742493.db2.gz HWJRHARFHWNKFP-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857413 503742497 /nfs/dbraw/zinc/74/24/97/503742497.db2.gz HWJRHARFHWNKFP-KNQAVFIVSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000517541680 503766810 /nfs/dbraw/zinc/76/68/10/503766810.db2.gz PKFMINWXBOPYHE-ROUUACIJSA-N 1 3 374.573 3.304 20 0 FGADHO CN(CCC(=O)N(CCN1CCCC1)c1ccccc1)c1cc[nH+]cc1 ZINC000543713894 503864202 /nfs/dbraw/zinc/86/42/02/503864202.db2.gz PGRVOIHPHVBTDT-UHFFFAOYSA-N 1 3 352.482 3.037 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715226 503864226 /nfs/dbraw/zinc/86/42/26/503864226.db2.gz LKFYUNSDFWDUDI-RBUKOAKNSA-N 1 3 358.530 3.021 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000543715226 503864231 /nfs/dbraw/zinc/86/42/31/503864231.db2.gz LKFYUNSDFWDUDI-RBUKOAKNSA-N 1 3 358.530 3.021 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011105 503888372 /nfs/dbraw/zinc/88/83/72/503888372.db2.gz DOOCZCUSAHKDQU-TZIWHRDSSA-N 1 3 372.557 3.386 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011105 503888376 /nfs/dbraw/zinc/88/83/76/503888376.db2.gz DOOCZCUSAHKDQU-TZIWHRDSSA-N 1 3 372.557 3.386 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000518098395 503908751 /nfs/dbraw/zinc/90/87/51/503908751.db2.gz DUPPCRCNPSCZHL-IBGZPJMESA-N 1 3 374.529 3.109 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000543910044 503938847 /nfs/dbraw/zinc/93/88/47/503938847.db2.gz JIKVFFYJJBFWFW-FXAWDEMLSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc(OCCN(C)C)c1 ZINC000518565897 504017974 /nfs/dbraw/zinc/01/79/74/504017974.db2.gz RIJCPYSQXYYHTC-YSIASYRMSA-N 1 3 373.541 3.211 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598013 504024984 /nfs/dbraw/zinc/02/49/84/504024984.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598013 504024987 /nfs/dbraw/zinc/02/49/87/504024987.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 1 3 357.542 3.278 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178076 504158178 /nfs/dbraw/zinc/15/81/78/504158178.db2.gz ZBJPBWGIZONVOO-LEWJYISDSA-N 1 3 372.557 3.071 20 0 FGADHO OCCN1CCN(CCCC[NH2+][C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000538289420 504190439 /nfs/dbraw/zinc/19/04/39/504190439.db2.gz AYSQPUSOBSVFSA-HSZRJFAPSA-N 1 3 373.585 3.288 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000531119008 504195910 /nfs/dbraw/zinc/19/59/10/504195910.db2.gz SWAOILKMNWYPOA-UHFFFAOYSA-N 1 3 371.312 3.040 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737331 504205411 /nfs/dbraw/zinc/20/54/11/504205411.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737331 504205416 /nfs/dbraw/zinc/20/54/16/504205416.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000535003808 504309505 /nfs/dbraw/zinc/30/95/05/504309505.db2.gz BYYAXBQTFKXRIS-AUSIDOKSSA-N 1 3 367.537 3.300 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3ccsc3)s2)CC1 ZINC000531610312 504362330 /nfs/dbraw/zinc/36/23/30/504362330.db2.gz LIUFJXUVTVHZRJ-UHFFFAOYSA-N 1 3 351.541 3.197 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683194 504391977 /nfs/dbraw/zinc/39/19/77/504391977.db2.gz WANKWGBWJUCROO-HXUWFJFHSA-N 1 3 359.558 3.260 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204702 504394459 /nfs/dbraw/zinc/39/44/59/504394459.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204702 504394465 /nfs/dbraw/zinc/39/44/65/504394465.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000531693662 504394498 /nfs/dbraw/zinc/39/44/98/504394498.db2.gz AKQAHMJMLNGMGM-XJKSGUPXSA-N 1 3 352.404 3.321 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000531693662 504394502 /nfs/dbraw/zinc/39/45/02/504394502.db2.gz AKQAHMJMLNGMGM-XJKSGUPXSA-N 1 3 352.404 3.321 20 0 FGADHO COc1cccc(C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2)c1 ZINC000531701761 504396856 /nfs/dbraw/zinc/39/68/56/504396856.db2.gz PTFZOYFCJSZIAD-RBBKRZOGSA-N 1 3 354.494 3.025 20 0 FGADHO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1c1ccccc1 ZINC000535469437 504444381 /nfs/dbraw/zinc/44/43/81/504444381.db2.gz ONCBNIXGXAZGDX-FGZHOGPDSA-N 1 3 372.472 3.422 20 0 FGADHO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H]1c1ccccc1 ZINC000535469437 504444384 /nfs/dbraw/zinc/44/43/84/504444384.db2.gz ONCBNIXGXAZGDX-FGZHOGPDSA-N 1 3 372.472 3.422 20 0 FGADHO C[C@H]1C[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000531977618 504493576 /nfs/dbraw/zinc/49/35/76/504493576.db2.gz FSHBUOPPMXWDEA-CMPLNLGQSA-N 1 3 350.816 3.238 20 0 FGADHO C[C@H]1C[C@H](NCCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977618 504493578 /nfs/dbraw/zinc/49/35/78/504493578.db2.gz FSHBUOPPMXWDEA-CMPLNLGQSA-N 1 3 350.816 3.238 20 0 FGADHO CN(CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccncc1 ZINC000542786204 504610277 /nfs/dbraw/zinc/61/02/77/504610277.db2.gz KHKBPPRGNZJFRB-UHFFFAOYSA-N 1 3 358.530 3.023 20 0 FGADHO Cc1ccc([C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N2CCCC2)cc1 ZINC000542787214 504610652 /nfs/dbraw/zinc/61/06/52/504610652.db2.gz LESCHLWAINVWDJ-NRFANRHFSA-N 1 3 366.509 3.170 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4occc4c3)CC2)CC1 ZINC000529278598 504616624 /nfs/dbraw/zinc/61/66/24/504616624.db2.gz NISRCXBDJFNSMK-UHFFFAOYSA-N 1 3 356.470 3.113 20 0 FGADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971092 504618891 /nfs/dbraw/zinc/61/88/91/504618891.db2.gz BUBCMRQHAKEZII-NHCUHLMSSA-N 1 3 369.553 3.087 20 0 FGADHO C[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000520971092 504618897 /nfs/dbraw/zinc/61/88/97/504618897.db2.gz BUBCMRQHAKEZII-NHCUHLMSSA-N 1 3 369.553 3.087 20 0 FGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505488 504673977 /nfs/dbraw/zinc/67/39/77/504673977.db2.gz DKIJRVVVFHDJAL-QWHCGFSZSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505488 504673982 /nfs/dbraw/zinc/67/39/82/504673982.db2.gz DKIJRVVVFHDJAL-QWHCGFSZSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521763 504681387 /nfs/dbraw/zinc/68/13/87/504681387.db2.gz MMHWKWGIEKEXSS-GWCFXTLKSA-N 1 3 350.816 3.096 20 0 FGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521763 504681390 /nfs/dbraw/zinc/68/13/90/504681390.db2.gz MMHWKWGIEKEXSS-GWCFXTLKSA-N 1 3 350.816 3.096 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000543066641 504709822 /nfs/dbraw/zinc/70/98/22/504709822.db2.gz IUXJXPLAHBQEKW-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000543066641 504709824 /nfs/dbraw/zinc/70/98/24/504709824.db2.gz IUXJXPLAHBQEKW-KGLIPLIRSA-N 1 3 368.319 3.098 20 0 FGADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@H]1c1ccccc1 ZINC000543097620 504724056 /nfs/dbraw/zinc/72/40/56/504724056.db2.gz RRDWDSMADHDEPN-MTNREXPMSA-N 1 3 365.521 3.260 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000532660849 504729500 /nfs/dbraw/zinc/72/95/00/504729500.db2.gz LWVYXVSJFJSPBJ-GOSISDBHSA-N 1 3 374.529 3.015 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000532660849 504729506 /nfs/dbraw/zinc/72/95/06/504729506.db2.gz LWVYXVSJFJSPBJ-GOSISDBHSA-N 1 3 374.529 3.015 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509780 504749828 /nfs/dbraw/zinc/74/98/28/504749828.db2.gz ZZWGXIPUNYDZFO-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000521620166 504765023 /nfs/dbraw/zinc/76/50/23/504765023.db2.gz JNROYVTZDLPIQK-MOPGFXCFSA-N 1 3 372.557 3.181 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000559151792 504792685 /nfs/dbraw/zinc/79/26/85/504792685.db2.gz QIDRLXAEJSXGDC-HMFYCAOWSA-N 1 3 370.512 3.475 20 0 FGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000565227213 504830720 /nfs/dbraw/zinc/83/07/20/504830720.db2.gz WIUCXXUPBOKLBI-SJLPKXTDSA-N 1 3 366.347 3.273 20 0 FGADHO C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172691 504844527 /nfs/dbraw/zinc/84/45/27/504844527.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172691 504844530 /nfs/dbraw/zinc/84/45/30/504844530.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 1 3 369.553 3.372 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1cccs1 ZINC000565359258 504865216 /nfs/dbraw/zinc/86/52/16/504865216.db2.gz SQCZECWYIAQFCF-SFHVURJKSA-N 1 3 352.544 3.012 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652272 504949702 /nfs/dbraw/zinc/94/97/02/504949702.db2.gz DKCKBMVHJAZSPQ-UONOGXRCSA-N 1 3 361.313 3.055 20 0 FGADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000556884436 505005424 /nfs/dbraw/zinc/00/54/24/505005424.db2.gz KFYCWHBPVPDWLN-CSEOROSGSA-N 1 3 369.553 3.182 20 0 FGADHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262682 505006001 /nfs/dbraw/zinc/00/60/01/505006001.db2.gz NQMBSIPRCUWJKY-WOJBJXKFSA-N 1 3 360.567 3.400 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1n1cccn1 ZINC000550326312 505023495 /nfs/dbraw/zinc/02/34/95/505023495.db2.gz YSMXJOOHKIGCPW-AOIWZFSPSA-N 1 3 368.525 3.244 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1n1cccn1 ZINC000550326312 505023499 /nfs/dbraw/zinc/02/34/99/505023499.db2.gz YSMXJOOHKIGCPW-AOIWZFSPSA-N 1 3 368.525 3.244 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000563112110 505050765 /nfs/dbraw/zinc/05/07/65/505050765.db2.gz CJSYOVOBLKQURO-HXUWFJFHSA-N 1 3 369.509 3.345 20 0 FGADHO C[N@H+](C[C@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005005 505052227 /nfs/dbraw/zinc/05/22/27/505052227.db2.gz NSJFYWUJLNRIMR-HXUWFJFHSA-N 1 3 374.475 3.163 20 0 FGADHO C[N@@H+](C[C@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005005 505052229 /nfs/dbraw/zinc/05/22/29/505052229.db2.gz NSJFYWUJLNRIMR-HXUWFJFHSA-N 1 3 374.475 3.163 20 0 FGADHO C[NH+]1CCC([C@H]2CCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000550573184 505066369 /nfs/dbraw/zinc/06/63/69/505066369.db2.gz NGZMVYQYQGAXFH-INIZCTEOSA-N 1 3 350.890 3.275 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000554087407 505085744 /nfs/dbraw/zinc/08/57/44/505085744.db2.gz AUKZFTCWSZDSJC-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000554087407 505085746 /nfs/dbraw/zinc/08/57/46/505085746.db2.gz AUKZFTCWSZDSJC-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000554087407 505085749 /nfs/dbraw/zinc/08/57/49/505085749.db2.gz AUKZFTCWSZDSJC-MYDTUXCISA-N 1 3 350.506 3.090 20 0 FGADHO C[C@@H](N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cc[nH]c(=O)c1 ZINC000550860294 505115682 /nfs/dbraw/zinc/11/56/82/505115682.db2.gz ITAJUWAORVVUFO-QAPCUYQASA-N 1 3 353.466 3.426 20 0 FGADHO O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528775 505116580 /nfs/dbraw/zinc/11/65/80/505116580.db2.gz KRZVHVRTFMGRMF-BQJUDKOJSA-N 1 3 360.567 3.135 20 0 FGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(Br)c(Br)c1 ZINC000566230190 505118826 /nfs/dbraw/zinc/11/88/26/505118826.db2.gz PSETYADXVLSGDC-IUCAKERBSA-N 1 3 350.098 3.427 20 0 FGADHO c1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000566230293 505119005 /nfs/dbraw/zinc/11/90/05/505119005.db2.gz ZVLTYGSFJQICOT-BGYRXZFFSA-N 1 3 373.504 3.366 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245802 505122625 /nfs/dbraw/zinc/12/26/25/505122625.db2.gz SYWHPNPFUXIMCW-UOVPBQLFSA-N 1 3 363.933 3.227 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCCC1)N(C)C ZINC000554255262 505126866 /nfs/dbraw/zinc/12/68/66/505126866.db2.gz RBDXTFXTVIMHHL-PKOBYXMFSA-N 1 3 360.546 3.160 20 0 FGADHO CCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000557423776 505130467 /nfs/dbraw/zinc/13/04/67/505130467.db2.gz VPRUUGXCSMODHO-UHFFFAOYSA-N 1 3 359.514 3.220 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557482129 505146811 /nfs/dbraw/zinc/14/68/11/505146811.db2.gz XNCPXHAOGVLYDT-JOCHJYFZSA-N 1 3 365.521 3.099 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557482129 505146817 /nfs/dbraw/zinc/14/68/17/505146817.db2.gz XNCPXHAOGVLYDT-JOCHJYFZSA-N 1 3 365.521 3.099 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812178 505236097 /nfs/dbraw/zinc/23/60/97/505236097.db2.gz NEWZPNJSDXZUNU-QCFAMHMHSA-N 1 3 370.541 3.090 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537089 505246734 /nfs/dbraw/zinc/24/67/34/505246734.db2.gz LSCRRJNZWUJQJL-SFTDATJTSA-N 1 3 359.558 3.240 20 0 FGADHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563874863 505264356 /nfs/dbraw/zinc/26/43/56/505264356.db2.gz QFGWPPVFZDCDLV-HMXCVIKNSA-N 1 3 372.557 3.147 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882173 505288900 /nfs/dbraw/zinc/28/89/00/505288900.db2.gz HPFOGKMJTSDKMM-MRXNPFEDSA-N 1 3 364.534 3.283 20 0 FGADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282979 505304754 /nfs/dbraw/zinc/30/47/54/505304754.db2.gz LFDPLERPCYMFDW-NZQKXSOJSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCCC1 ZINC000561282979 505304756 /nfs/dbraw/zinc/30/47/56/505304756.db2.gz LFDPLERPCYMFDW-NZQKXSOJSA-N 1 3 369.553 3.376 20 0 FGADHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)Cc1ccc(F)cc1 ZINC000564078944 505320272 /nfs/dbraw/zinc/32/02/72/505320272.db2.gz XXBMPEJDNABIPN-IBGZPJMESA-N 1 3 362.514 3.292 20 0 FGADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000564321644 505384130 /nfs/dbraw/zinc/38/41/30/505384130.db2.gz OKDBSKPHCVEQOO-LJQANCHMSA-N 1 3 374.550 3.298 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CCOCC1)c1ccccc1 ZINC000552249947 505440638 /nfs/dbraw/zinc/44/06/38/505440638.db2.gz QIPJQXVXWVXKEQ-PDGJWGCVSA-N 1 3 371.569 3.349 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284326 505450260 /nfs/dbraw/zinc/45/02/60/505450260.db2.gz WOJITBJWLKKGRR-RCCFBDPRSA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284326 505450264 /nfs/dbraw/zinc/45/02/64/505450264.db2.gz WOJITBJWLKKGRR-RCCFBDPRSA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284326 505450266 /nfs/dbraw/zinc/45/02/66/505450266.db2.gz WOJITBJWLKKGRR-RCCFBDPRSA-N 1 3 359.905 3.192 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560217 505453780 /nfs/dbraw/zinc/45/37/80/505453780.db2.gz USZUDVIAKPMCMY-RVHYNSKXSA-N 1 3 352.478 3.130 20 0 FGADHO CN(C)Cc1ccccc1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000564730048 505504568 /nfs/dbraw/zinc/50/45/68/505504568.db2.gz JMYUEMJJIYECRD-UHFFFAOYSA-N 1 3 365.521 3.220 20 0 FGADHO c1oc(-c2ccccc2)nc1CN1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000564822539 505529352 /nfs/dbraw/zinc/52/93/52/505529352.db2.gz DOEJJRLYZIGVTH-YOFSQIOKSA-N 1 3 366.509 3.179 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772995 505561700 /nfs/dbraw/zinc/56/17/00/505561700.db2.gz RGBWUYZUKGVVQT-QMMLZNLJSA-N 1 3 351.494 3.418 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)c2)CC1 ZINC000564992843 505566336 /nfs/dbraw/zinc/56/63/36/505566336.db2.gz KQIOTCSNCCDKCB-QMMLZNLJSA-N 1 3 370.541 3.076 20 0 FGADHO CC(C)(C)N1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904259 506480974 /nfs/dbraw/zinc/48/09/74/506480974.db2.gz JBFNGVNTSFQUJI-MOPGFXCFSA-N 1 3 355.526 3.173 20 0 FGADHO CC(C)(C)N1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904259 506480979 /nfs/dbraw/zinc/48/09/79/506480979.db2.gz JBFNGVNTSFQUJI-MOPGFXCFSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357725 506523251 /nfs/dbraw/zinc/52/32/51/506523251.db2.gz GELDYTBPCUQUDF-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357725 506523258 /nfs/dbraw/zinc/52/32/58/506523258.db2.gz GELDYTBPCUQUDF-FPOVZHCZSA-N 1 3 357.542 3.279 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583028649 506548348 /nfs/dbraw/zinc/54/83/48/506548348.db2.gz RJYPAACCUJLAOM-BJLQDIEVSA-N 1 3 360.546 3.067 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583028649 506548354 /nfs/dbraw/zinc/54/83/54/506548354.db2.gz RJYPAACCUJLAOM-BJLQDIEVSA-N 1 3 360.546 3.067 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000612593425 506642151 /nfs/dbraw/zinc/64/21/51/506642151.db2.gz HUXBPXSKSUECDY-FQEVSTJZSA-N 1 3 372.557 3.087 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608691524 506666740 /nfs/dbraw/zinc/66/67/40/506666740.db2.gz DTBSWKCIDJQGKZ-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608691524 506666750 /nfs/dbraw/zinc/66/67/50/506666750.db2.gz DTBSWKCIDJQGKZ-NHCUHLMSSA-N 1 3 372.557 3.167 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317083 506713921 /nfs/dbraw/zinc/71/39/21/506713921.db2.gz PHNAJNUKHHTGMK-MJGOQNOKSA-N 1 3 363.505 3.229 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317083 506713926 /nfs/dbraw/zinc/71/39/26/506713926.db2.gz PHNAJNUKHHTGMK-MJGOQNOKSA-N 1 3 363.505 3.229 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092935 506773210 /nfs/dbraw/zinc/77/32/10/506773210.db2.gz SGXDGJYPJCYSOD-RBUKOAKNSA-N 1 3 359.558 3.176 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000600092935 506773219 /nfs/dbraw/zinc/77/32/19/506773219.db2.gz SGXDGJYPJCYSOD-RBUKOAKNSA-N 1 3 359.558 3.176 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963851 506854273 /nfs/dbraw/zinc/85/42/73/506854273.db2.gz FCAWMEJRTLRMDG-CTNGQTDRSA-N 1 3 373.516 3.125 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128598 506930635 /nfs/dbraw/zinc/93/06/35/506930635.db2.gz HNLXALGLGTXDAE-UGKGYDQZSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128598 506930637 /nfs/dbraw/zinc/93/06/37/506930637.db2.gz HNLXALGLGTXDAE-UGKGYDQZSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613130045 506931528 /nfs/dbraw/zinc/93/15/28/506931528.db2.gz YVIWKPKDDQUGJH-GHTZIAJQSA-N 1 3 357.542 3.055 20 0 FGADHO COC(=O)c1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000583872671 507023010 /nfs/dbraw/zinc/02/30/10/507023010.db2.gz XXQVDFWPVMEMSR-CALCHBBNSA-N 1 3 371.506 3.028 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000600854955 507148944 /nfs/dbraw/zinc/14/89/44/507148944.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 1 3 374.573 3.461 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000600854955 507148950 /nfs/dbraw/zinc/14/89/50/507148950.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 1 3 374.573 3.461 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859703 507149756 /nfs/dbraw/zinc/14/97/56/507149756.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859703 507149761 /nfs/dbraw/zinc/14/97/61/507149761.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000600862685 507150097 /nfs/dbraw/zinc/15/00/97/507150097.db2.gz CGGWLDIKNBMYDS-SFTDATJTSA-N 1 3 374.573 3.113 20 0 FGADHO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000605398536 507172797 /nfs/dbraw/zinc/17/27/97/507172797.db2.gz PTJYXTGHMPHPQV-JOCHJYFZSA-N 1 3 372.472 3.251 20 0 FGADHO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000605398536 507172802 /nfs/dbraw/zinc/17/28/02/507172802.db2.gz PTJYXTGHMPHPQV-JOCHJYFZSA-N 1 3 372.472 3.251 20 0 FGADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660073 507203547 /nfs/dbraw/zinc/20/35/47/507203547.db2.gz HGPDOLNEHNRDDH-DFQSSKMNSA-N 1 3 373.541 3.152 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000591543850 507284617 /nfs/dbraw/zinc/28/46/17/507284617.db2.gz PTMJCEJKFJFBNL-RTWAWAEBSA-N 1 3 372.557 3.339 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601214410 507298425 /nfs/dbraw/zinc/29/84/25/507298425.db2.gz DFJFVJJBWHFGHZ-VQTJNVASSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000591590620 507305618 /nfs/dbraw/zinc/30/56/18/507305618.db2.gz OSTYWXYNNRXLJO-IBGZPJMESA-N 1 3 352.567 3.158 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000605988582 507320055 /nfs/dbraw/zinc/32/00/55/507320055.db2.gz NXAAWXZTFBJGOF-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000605988582 507320062 /nfs/dbraw/zinc/32/00/62/507320062.db2.gz NXAAWXZTFBJGOF-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000595067846 507375979 /nfs/dbraw/zinc/37/59/79/507375979.db2.gz QGIQUSSIMJWXNG-MRDQGFSESA-N 1 3 371.550 3.382 20 0 FGADHO COc1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496569 507377138 /nfs/dbraw/zinc/37/71/38/507377138.db2.gz JFTVCFCSRZQWQN-IYBDPMFKSA-N 1 3 350.503 3.257 20 0 FGADHO COc1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496569 507377145 /nfs/dbraw/zinc/37/71/45/507377145.db2.gz JFTVCFCSRZQWQN-IYBDPMFKSA-N 1 3 350.503 3.257 20 0 FGADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000606620718 507455663 /nfs/dbraw/zinc/45/56/63/507455663.db2.gz KPFQTFYGDNUFRN-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccsc1 ZINC000606638007 507462098 /nfs/dbraw/zinc/46/20/98/507462098.db2.gz NXZIOZVSGXVJSL-QAPCUYQASA-N 1 3 366.575 3.161 20 0 FGADHO C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606692343 507482826 /nfs/dbraw/zinc/48/28/26/507482826.db2.gz QAHFPHYLRRLVCQ-QZTJIDSGSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756130 507661205 /nfs/dbraw/zinc/66/12/05/507661205.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000586756130 507661211 /nfs/dbraw/zinc/66/12/11/507661211.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 1 3 357.542 3.276 20 0 FGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000586873566 507699906 /nfs/dbraw/zinc/69/99/06/507699906.db2.gz GVFSJHQQMZVEKG-HXUWFJFHSA-N 1 3 364.578 3.203 20 0 FGADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358491 507700562 /nfs/dbraw/zinc/70/05/62/507700562.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358491 507700566 /nfs/dbraw/zinc/70/05/66/507700566.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 1 3 365.521 3.429 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccco1 ZINC000637139751 568448279 /nfs/dbraw/zinc/44/82/79/568448279.db2.gz OCGCFYJKTHSASV-SJORKVTESA-N 1 3 364.534 3.225 20 0 FGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338027 /nfs/dbraw/zinc/33/80/27/700338027.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338032 /nfs/dbraw/zinc/33/80/32/700338032.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338037 /nfs/dbraw/zinc/33/80/37/700338037.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338042 /nfs/dbraw/zinc/33/80/42/700338042.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 1 3 353.551 3.297 20 0 FGADHO COC(=O)N1CCC([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000186772636 712726225 /nfs/dbraw/zinc/72/62/25/712726225.db2.gz DZTNYSNNQLIFCR-INIZCTEOSA-N 1 3 351.535 3.240 20 0 FGADHO CN(Cc1cc(C[N@H+](C)C2CCOCC2)ccc1F)C1CCOCC1 ZINC000579798230 714497601 /nfs/dbraw/zinc/49/76/01/714497601.db2.gz BYXCLYXBWUEKNT-UHFFFAOYSA-N 1 3 350.478 3.047 20 0 FGADHO CN(Cc1cc(C[N@@H+](C)C2CCOCC2)ccc1F)C1CCOCC1 ZINC000579798230 714497606 /nfs/dbraw/zinc/49/76/06/714497606.db2.gz BYXCLYXBWUEKNT-UHFFFAOYSA-N 1 3 350.478 3.047 20 0 FGADHO Cc1nc2ccc(Br)cc2c(N2CCCO[C@H](C[NH3+])C2)c1C ZINC000643052975 718002923 /nfs/dbraw/zinc/00/29/23/718002923.db2.gz HMVHKFMUTUDHGR-CQSZACIVSA-N 1 3 364.287 3.168 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413357 715330394 /nfs/dbraw/zinc/33/03/94/715330394.db2.gz SFXWGRZXWQMENH-CVEARBPZSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413357 715330399 /nfs/dbraw/zinc/33/03/99/715330399.db2.gz SFXWGRZXWQMENH-CVEARBPZSA-N 1 3 351.485 3.392 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623439039 715336347 /nfs/dbraw/zinc/33/63/47/715336347.db2.gz UFSBJGXPEMCVJH-AWEZNQCLSA-N 1 3 353.894 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623439039 715336351 /nfs/dbraw/zinc/33/63/51/715336351.db2.gz UFSBJGXPEMCVJH-AWEZNQCLSA-N 1 3 353.894 3.140 20 0 FGADHO CN1CCCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657035 715380636 /nfs/dbraw/zinc/38/06/36/715380636.db2.gz IOLXOQPCJPUXAU-INIZCTEOSA-N 1 3 363.933 3.266 20 0 FGADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000629416699 716284596 /nfs/dbraw/zinc/28/45/96/716284596.db2.gz UOHFECJFEPPINY-WMLDXEAASA-N 1 3 366.347 3.144 20 0 FGADHO C[C@H]1CC[C@@H](NC2CCN(Cc3ccccc3Br)CC2)C[NH2+]1 ZINC000629416699 716284600 /nfs/dbraw/zinc/28/46/00/716284600.db2.gz UOHFECJFEPPINY-WMLDXEAASA-N 1 3 366.347 3.144 20 0 FGADHO COc1ncc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000638335496 717436150 /nfs/dbraw/zinc/43/61/50/717436150.db2.gz NJPMZIAMRHLXEW-GJZGRUSLSA-N 1 3 361.511 3.051 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583762 718128475 /nfs/dbraw/zinc/12/84/75/718128475.db2.gz AOMLZLKFMSFORV-GOEBONIOSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583762 718128477 /nfs/dbraw/zinc/12/84/77/718128477.db2.gz AOMLZLKFMSFORV-GOEBONIOSA-N 1 3 368.319 3.240 20 0 FGADHO Cc1cc(Br)ccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707342 718717702 /nfs/dbraw/zinc/71/77/02/718717702.db2.gz DATKHWKSXLSXLB-CGTJXYLNSA-N 1 3 367.331 3.476 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650758414 718724718 /nfs/dbraw/zinc/72/47/18/718724718.db2.gz PDGISFQILDWFAA-OAHLLOKOSA-N 1 3 361.511 3.018 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CC(F)(F)F)CC2)CC1 ZINC000655017631 719256098 /nfs/dbraw/zinc/25/60/98/719256098.db2.gz RVZAIJFKVVCDRI-UHFFFAOYSA-N 1 3 363.468 3.030 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c2cccs2)CC1 ZINC000655442695 719293573 /nfs/dbraw/zinc/29/35/73/719293573.db2.gz VXJGJEPDIXHVRR-QKLQHJQFSA-N 1 3 361.555 3.027 20 0 FGADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655707773 719328187 /nfs/dbraw/zinc/32/81/87/719328187.db2.gz CNPPQEKZZBYPKV-SJLPKXTDSA-N 1 3 352.544 3.017 20 0 FGADHO CO[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731940 719331247 /nfs/dbraw/zinc/33/12/47/719331247.db2.gz WNDJBIHJUGZDKI-RTBURBONSA-N 1 3 352.906 3.261 20 0 FGADHO FC(F)(F)c1cccnc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535194 719667871 /nfs/dbraw/zinc/66/78/71/719667871.db2.gz IKBDXEIPBMLZQE-UHFFFAOYSA-N 1 3 357.420 3.081 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113510 719759228 /nfs/dbraw/zinc/75/92/28/719759228.db2.gz GYZRMZJLZULGEV-ZVXZJYCBSA-N 1 3 352.563 3.185 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658113510 719759233 /nfs/dbraw/zinc/75/92/33/719759233.db2.gz GYZRMZJLZULGEV-ZVXZJYCBSA-N 1 3 352.563 3.185 20 0 FGADHO C[C@@]1(C2CC2)CN(CCCCC[N@@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200825 /nfs/dbraw/zinc/20/08/25/720200825.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@]1(C2CC2)CN(CCCCC[N@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200829 /nfs/dbraw/zinc/20/08/29/720200829.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@]1(C2CC2)C[N@H+](CCCCCN2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200833 /nfs/dbraw/zinc/20/08/33/720200833.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO C[C@@]1(C2CC2)C[N@@H+](CCCCCN2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200838 /nfs/dbraw/zinc/20/08/38/720200838.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 1 3 350.547 3.159 20 0 FGADHO COc1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000662313483 720413955 /nfs/dbraw/zinc/41/39/55/720413955.db2.gz RPXXLLQGKYNSJM-CZUORRHYSA-N 1 3 353.894 3.127 20 0 FGADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc2c1CNC2 ZINC000662504255 720435779 /nfs/dbraw/zinc/43/57/79/720435779.db2.gz COQRDTPVFACNAW-UHFFFAOYSA-N 1 3 357.885 3.147 20 0 FGADHO CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636503 720793800 /nfs/dbraw/zinc/79/38/00/720793800.db2.gz APBHUHCZEIEGRT-AWEZNQCLSA-N 1 3 374.982 3.205 20 0 FGADHO CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636503 720793802 /nfs/dbraw/zinc/79/38/02/720793802.db2.gz APBHUHCZEIEGRT-AWEZNQCLSA-N 1 3 374.982 3.205 20 0 FGADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000670172718 721522407 /nfs/dbraw/zinc/52/24/07/721522407.db2.gz OLZCIQCVZIZAKE-LJQANCHMSA-N 1 3 359.901 3.434 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700800000 722409935 /nfs/dbraw/zinc/40/99/35/722409935.db2.gz NVPSAQQPLOPGMH-SJORKVTESA-N 1 3 353.551 3.344 20 0 FGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000715543003 722415904 /nfs/dbraw/zinc/41/59/04/722415904.db2.gz NGJWOAVOGSURBM-AVEIZBFRSA-N 1 3 351.535 3.237 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760905351 723103519 /nfs/dbraw/zinc/10/35/19/723103519.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760905351 723103522 /nfs/dbraw/zinc/10/35/22/723103522.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CCC[C@H]1C ZINC000766271365 723565277 /nfs/dbraw/zinc/56/52/77/723565277.db2.gz UGDLQZNTEKJVBH-ZIAGYGMSSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CCC[C@H]1C ZINC000766271365 723565279 /nfs/dbraw/zinc/56/52/79/723565279.db2.gz UGDLQZNTEKJVBH-ZIAGYGMSSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@@H+]1CCC[C@H]1C ZINC000766274864 723565769 /nfs/dbraw/zinc/56/57/69/723565769.db2.gz WMUFKLYKBFFCBH-UONOGXRCSA-N 1 3 357.420 3.496 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCC[C@H]1C ZINC000766274864 723565772 /nfs/dbraw/zinc/56/57/72/723565772.db2.gz WMUFKLYKBFFCBH-UONOGXRCSA-N 1 3 357.420 3.496 20 0 FGADHO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CN1CCCC1 ZINC000775204508 723970918 /nfs/dbraw/zinc/97/09/18/723970918.db2.gz SSXFHRCOBJQFLL-MSOLQXFVSA-N 1 3 367.331 3.337 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115593 725289738 /nfs/dbraw/zinc/28/97/38/725289738.db2.gz LCANAGMLYKYQDB-APWZRJJASA-N 1 3 369.550 3.460 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115593 725289747 /nfs/dbraw/zinc/28/97/47/725289747.db2.gz LCANAGMLYKYQDB-APWZRJJASA-N 1 3 369.550 3.460 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810146488 725292724 /nfs/dbraw/zinc/29/27/24/725292724.db2.gz RMWZFAAIGRZENH-HLIPFELVSA-N 1 3 355.542 3.073 20 0 FGADHO C[C@@H]1CN([C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299655 /nfs/dbraw/zinc/29/96/55/725299655.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 1 3 351.535 3.096 20 0 FGADHO C[C@@H]1CN([C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299656 /nfs/dbraw/zinc/29/96/56/725299656.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 1 3 351.535 3.096 20 0 FGADHO CC[NH+](CC)CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676618 726991965 /nfs/dbraw/zinc/99/19/65/726991965.db2.gz WGDMDNJRGFYXJC-HDICACEKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)CCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676618 726991968 /nfs/dbraw/zinc/99/19/68/726991968.db2.gz WGDMDNJRGFYXJC-HDICACEKSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(CC)CCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676618 726991969 /nfs/dbraw/zinc/99/19/69/726991969.db2.gz WGDMDNJRGFYXJC-HDICACEKSA-N 1 3 353.551 3.297 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817888906 727286854 /nfs/dbraw/zinc/28/68/54/727286854.db2.gz LEFXZZRPIWHYSI-APPDUMDISA-N 1 3 353.388 3.252 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082367 /nfs/dbraw/zinc/08/23/67/729082367.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 1 3 354.560 3.117 20 0 FGADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082370 /nfs/dbraw/zinc/08/23/70/729082370.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 1 3 354.560 3.117 20 0 FGADHO C[C@@H](CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000824332274 729330927 /nfs/dbraw/zinc/33/09/27/729330927.db2.gz HSCNBJSUQVVEAQ-KRWDZBQOSA-N 1 3 364.555 3.001 20 0 FGADHO Cc1cc([C@H](N)CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc(Cl)n1 ZINC000828540410 729444813 /nfs/dbraw/zinc/44/48/13/729444813.db2.gz ALBKRQATNGLTAO-QGZVFWFLSA-N 1 3 360.889 3.176 20 0 FGADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513352 729808750 /nfs/dbraw/zinc/80/87/50/729808750.db2.gz KYBYIXLCGXZHLA-XWTMOSNGSA-N 1 3 351.535 3.381 20 0 FGADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513352 729808751 /nfs/dbraw/zinc/80/87/51/729808751.db2.gz KYBYIXLCGXZHLA-XWTMOSNGSA-N 1 3 351.535 3.381 20 0 FGADHO Ic1ccccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126434 730588785 /nfs/dbraw/zinc/58/87/85/730588785.db2.gz REXLDUKNALCKDN-ZIAGYGMSSA-N 1 3 370.278 3.113 20 0 FGADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554195 731372495 /nfs/dbraw/zinc/37/24/95/731372495.db2.gz DARCQHDNFUWDIB-CRAIPNDOSA-N 1 3 373.324 3.260 20 0 FGADHO CO[C@@H]1CC[C@@H](N2CCC[C@@]3(CCC[N@@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539600 /nfs/dbraw/zinc/53/96/00/731539600.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@@H](N2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539601 /nfs/dbraw/zinc/53/96/01/731539601.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539603 /nfs/dbraw/zinc/53/96/03/731539603.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 1 3 350.547 3.299 20 0 FGADHO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCCN([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539604 /nfs/dbraw/zinc/53/96/04/731539604.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 1 3 350.547 3.299 20 0 FGADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1SC(F)F ZINC000855345961 731920465 /nfs/dbraw/zinc/92/04/65/731920465.db2.gz LDOLLAMCEVOZOP-NSHDSACASA-N 1 3 365.515 3.065 20 0 FGADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1SC(F)F ZINC000855345961 731920466 /nfs/dbraw/zinc/92/04/66/731920466.db2.gz LDOLLAMCEVOZOP-NSHDSACASA-N 1 3 365.515 3.065 20 0 FGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491471 732220114 /nfs/dbraw/zinc/22/01/14/732220114.db2.gz IRQHZLOKVRSARK-BZSNNMDCSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000862408868 732827744 /nfs/dbraw/zinc/82/77/44/732827744.db2.gz JWQHQWQRUSGNKO-ZIAGYGMSSA-N 1 3 361.477 3.094 20 0 FGADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000862408868 732827746 /nfs/dbraw/zinc/82/77/46/732827746.db2.gz JWQHQWQRUSGNKO-ZIAGYGMSSA-N 1 3 361.477 3.094 20 0 FGADHO O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204801 735737354 /nfs/dbraw/zinc/73/73/54/735737354.db2.gz ISOTWUFUKOXTGG-FQEVSTJZSA-N 1 3 360.498 3.479 20 0 FGADHO CN(Cc1cc2c(ccnc2Cl)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000877525470 736678318 /nfs/dbraw/zinc/67/83/18/736678318.db2.gz DMQUYRDVTIDUPL-HNNXBMFYSA-N 1 3 362.905 3.082 20 0 FGADHO CN(Cc1cc2c(ccnc2Cl)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000877525470 736678322 /nfs/dbraw/zinc/67/83/22/736678322.db2.gz DMQUYRDVTIDUPL-HNNXBMFYSA-N 1 3 362.905 3.082 20 0 FGADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000877758779 736715173 /nfs/dbraw/zinc/71/51/73/736715173.db2.gz DYKYIJSAKRDNSB-MOPGFXCFSA-N 1 3 366.933 3.385 20 0 FGADHO CC(C)CN(Cc1csc(-c2cnn(C)c2)n1)CC1CC[NH+](C)CC1 ZINC000877767490 736717390 /nfs/dbraw/zinc/71/73/90/736717390.db2.gz KTTARFYBGYDFCK-UHFFFAOYSA-N 1 3 361.559 3.343 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668123 740029345 /nfs/dbraw/zinc/02/93/45/740029345.db2.gz HFTBRSACZNTBAL-LVQVYYBASA-N 1 3 364.452 3.218 20 0 FGADHO CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209590 742124727 /nfs/dbraw/zinc/12/47/27/742124727.db2.gz LIBLQPIGLKCNRT-UCQLUEMLSA-N 1 3 351.897 3.439 20 0 FGADHO CN(C)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000893954324 742218207 /nfs/dbraw/zinc/21/82/07/742218207.db2.gz KUUHNTFSGUKDPB-ZNXRZULTSA-N 1 3 351.535 3.191 20 0 FGADHO C[NH+](C)C1CCN(CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000893954324 742218213 /nfs/dbraw/zinc/21/82/13/742218213.db2.gz KUUHNTFSGUKDPB-ZNXRZULTSA-N 1 3 351.535 3.191 20 0 FGADHO Cc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000903761574 743881509 /nfs/dbraw/zinc/88/15/09/743881509.db2.gz WICYGNQTJNNFIP-IAGOWNOFSA-N 1 3 367.331 3.476 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccsc1 ZINC000918121136 758305164 /nfs/dbraw/zinc/30/51/64/758305164.db2.gz KZXBMUVFBHZGAW-WMZOPIPTSA-N 1 3 366.575 3.305 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688962 758770794 /nfs/dbraw/zinc/77/07/94/758770794.db2.gz MVLBPIYLXOKYRU-KURKYZTESA-N 1 3 353.551 3.390 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386061 758909460 /nfs/dbraw/zinc/90/94/60/758909460.db2.gz DZKZXSQLQFMUKN-XOUADPBQSA-N 1 3 373.360 3.080 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386061 758909465 /nfs/dbraw/zinc/90/94/65/758909465.db2.gz DZKZXSQLQFMUKN-XOUADPBQSA-N 1 3 373.360 3.080 20 0 FGADHO [NH3+]CC[C@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482393 759129431 /nfs/dbraw/zinc/12/94/31/759129431.db2.gz FCKPBXCOIOQNMU-LBPRGKRZSA-N 1 3 350.260 3.275 20 0 FGADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488559 759130937 /nfs/dbraw/zinc/13/09/37/759130937.db2.gz CEXJQFOSJHDXQY-GUYCJALGSA-N 1 3 370.324 3.328 20 0 FGADHO C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1)N1CCN(C)CC1 ZINC000924963655 759423067 /nfs/dbraw/zinc/42/30/67/759423067.db2.gz GNQLBVNUQQBQID-UZLBHIALSA-N 1 3 358.917 3.050 20 0 FGADHO C[C@H](C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCN(C)CC1 ZINC000924966352 759424292 /nfs/dbraw/zinc/42/42/92/759424292.db2.gz SMPONYHYKMHTJL-UZLBHIALSA-N 1 3 358.917 3.050 20 0 FGADHO FC(F)(F)[C@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C(F)(F)F)C1 ZINC000925527209 759500119 /nfs/dbraw/zinc/50/01/19/759500119.db2.gz QZYXVQRRJGEMNX-KTITTWGGSA-N 1 3 356.354 3.482 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1cc(C(F)(F)F)ccc1Br ZINC000925774460 759534372 /nfs/dbraw/zinc/53/43/72/759534372.db2.gz VKNXTFMWXJLLCA-LBPRGKRZSA-N 1 3 369.225 3.311 20 0 FGADHO c1ccc2c(c1)SCC[C@@H]2NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925808013 759546976 /nfs/dbraw/zinc/54/69/76/759546976.db2.gz JHCKDDRAZDHLPS-FQEVSTJZSA-N 1 3 353.535 3.419 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000998794867 765123828 /nfs/dbraw/zinc/12/38/28/765123828.db2.gz RPWLNMWGLNCNCL-VKJZCYHPSA-N 1 3 369.962 3.211 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000998794867 765123835 /nfs/dbraw/zinc/12/38/35/765123835.db2.gz RPWLNMWGLNCNCL-VKJZCYHPSA-N 1 3 369.962 3.211 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001029741115 766151001 /nfs/dbraw/zinc/15/10/01/766151001.db2.gz JJKUNJMAWCCBTF-IIAWOOMASA-N 1 3 369.962 3.022 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001029741115 766151004 /nfs/dbraw/zinc/15/10/04/766151004.db2.gz JJKUNJMAWCCBTF-IIAWOOMASA-N 1 3 369.962 3.022 20 0 FGADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000071891465 221385548 /nfs/dbraw/zinc/38/55/48/221385548.db2.gz VFUZAVUNBDUCBH-UHFFFAOYSA-N 1 3 371.319 3.288 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565912 257374803 /nfs/dbraw/zinc/37/48/03/257374803.db2.gz IUSSTQNWTAPHLS-PKTZIBPZSA-N 1 3 371.569 3.228 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160959 503694632 /nfs/dbraw/zinc/69/46/32/503694632.db2.gz KJXVNIOJRIIVQE-USCONSEESA-N 1 3 368.525 3.209 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000540160959 503694638 /nfs/dbraw/zinc/69/46/38/503694638.db2.gz KJXVNIOJRIIVQE-USCONSEESA-N 1 3 368.525 3.209 20 0 FGADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000573609096 505577808 /nfs/dbraw/zinc/57/78/08/505577808.db2.gz SUUKTLNJTRQMFY-FIKGOQFSSA-N 1 3 357.542 3.136 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000568009123 505595712 /nfs/dbraw/zinc/59/57/12/505595712.db2.gz WCISHFPMFLLOTA-QFIPXVFZSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000576897369 505619246 /nfs/dbraw/zinc/61/92/46/505619246.db2.gz ZIGJICNRBIUCMC-YLJYHZDGSA-N 1 3 360.546 3.017 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CNCc2ccccc21 ZINC000568259554 505654565 /nfs/dbraw/zinc/65/45/65/505654565.db2.gz CXNZGFWARJOPDQ-JOCHJYFZSA-N 1 3 363.505 3.176 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000577115386 505667625 /nfs/dbraw/zinc/66/76/25/505667625.db2.gz PXNUADLYIXFGPH-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000577115386 505667628 /nfs/dbraw/zinc/66/76/28/505667628.db2.gz PXNUADLYIXFGPH-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885786 493790231 /nfs/dbraw/zinc/79/02/31/493790231.db2.gz BXVTXVHBINLGTJ-NRFANRHFSA-N 1 3 359.558 3.239 20 0 FGADHO COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109783 493824861 /nfs/dbraw/zinc/82/48/61/493824861.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 1 3 352.478 3.427 20 0 FGADHO COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000076109783 493824862 /nfs/dbraw/zinc/82/48/62/493824862.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 1 3 352.478 3.427 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330874 493866454 /nfs/dbraw/zinc/86/64/54/493866454.db2.gz JGIIUSLXFKQWOH-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330874 493866456 /nfs/dbraw/zinc/86/64/56/493866456.db2.gz JGIIUSLXFKQWOH-QGZVFWFLSA-N 1 3 350.482 3.014 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000081484364 493901218 /nfs/dbraw/zinc/90/12/18/493901218.db2.gz UPVXEWITZAGBEM-IBGZPJMESA-N 1 3 357.542 3.230 20 0 FGADHO CCOc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000062253076 494008037 /nfs/dbraw/zinc/00/80/37/494008037.db2.gz SMNSKMGIIRXQBE-IRXDYDNUSA-N 1 3 350.503 3.073 20 0 FGADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCCC[C@H]1C ZINC000063407715 494051734 /nfs/dbraw/zinc/05/17/34/494051734.db2.gz SGKVCCIUQJIBEK-QZTJIDSGSA-N 1 3 364.578 3.203 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280662 505699481 /nfs/dbraw/zinc/69/94/81/505699481.db2.gz CPUDEEUIBGGVGA-NZSAHSFTSA-N 1 3 369.509 3.274 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000580190938 505699785 /nfs/dbraw/zinc/69/97/85/505699785.db2.gz BILGDBLFFCYJNU-RTWAWAEBSA-N 1 3 366.509 3.078 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000072020131 494117024 /nfs/dbraw/zinc/11/70/24/494117024.db2.gz USNZTJSWECKWAB-QZTJIDSGSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000085405944 494121891 /nfs/dbraw/zinc/12/18/91/494121891.db2.gz BBGRFBMUOVIIMV-LQWHRVPQSA-N 1 3 372.557 3.194 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000085405944 494121893 /nfs/dbraw/zinc/12/18/93/494121893.db2.gz BBGRFBMUOVIIMV-LQWHRVPQSA-N 1 3 372.557 3.194 20 0 FGADHO CN(C)CCN(Cc1ccco1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000088250522 494221660 /nfs/dbraw/zinc/22/16/60/494221660.db2.gz NLLXMSUSNFHSGN-UHFFFAOYSA-N 1 3 369.509 3.082 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187773 494285833 /nfs/dbraw/zinc/28/58/33/494285833.db2.gz QHJRFBDJKPOTND-AZUAARDMSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512189 505712876 /nfs/dbraw/zinc/71/28/76/505712876.db2.gz OEJJBUNDUVWMCU-YUELXQCFSA-N 1 3 370.324 3.102 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365044 505713599 /nfs/dbraw/zinc/71/35/99/505713599.db2.gz OPVWUEDJUADPIX-HOTGVXAUSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365044 505713601 /nfs/dbraw/zinc/71/36/01/505713601.db2.gz OPVWUEDJUADPIX-HOTGVXAUSA-N 1 3 368.319 3.240 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079097325 494403963 /nfs/dbraw/zinc/40/39/63/494403963.db2.gz DEZYJVSTOLEYQJ-NRFANRHFSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC1 ZINC000073767702 494425760 /nfs/dbraw/zinc/42/57/60/494425760.db2.gz SBNIPEZFIDFQLJ-UHFFFAOYSA-N 1 3 367.921 3.339 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)(C)c1ccccc1 ZINC000090038602 494431534 /nfs/dbraw/zinc/43/15/34/494431534.db2.gz SMESEZBRGGTRSB-SFHVURJKSA-N 1 3 367.537 3.434 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522573 494477167 /nfs/dbraw/zinc/47/71/67/494477167.db2.gz XNXJQTMHZPCMCP-IPELMVKDSA-N 1 3 362.514 3.122 20 0 FGADHO COc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090522576 494477602 /nfs/dbraw/zinc/47/76/02/494477602.db2.gz XNXJQTMHZPCMCP-LZQZEXGQSA-N 1 3 362.514 3.122 20 0 FGADHO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000090655031 494490808 /nfs/dbraw/zinc/49/08/08/494490808.db2.gz ODKFMSGVBJRGEF-NPPFBWRTSA-N 1 3 356.510 3.270 20 0 FGADHO O[C@@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000090914208 494502961 /nfs/dbraw/zinc/50/29/61/494502961.db2.gz BHZVYALTZFRRTD-DHIUTWEWSA-N 1 3 371.569 3.009 20 0 FGADHO COc1ccc2c(c1)OC[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000090964947 494506598 /nfs/dbraw/zinc/50/65/98/494506598.db2.gz LNWDUROBYOKIOZ-NRFANRHFSA-N 1 3 366.505 3.295 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000074344728 494522522 /nfs/dbraw/zinc/52/25/22/494522522.db2.gz PESJWFVPDMLAHH-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000074344728 494522528 /nfs/dbraw/zinc/52/25/28/494522528.db2.gz PESJWFVPDMLAHH-UHFFFAOYSA-N 1 3 360.546 3.202 20 0 FGADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000580300393 505727626 /nfs/dbraw/zinc/72/76/26/505727626.db2.gz GAWLFYNIRAWLAZ-RBBKRZOGSA-N 1 3 363.505 3.102 20 0 FGADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cccnc1 ZINC000091288707 494578309 /nfs/dbraw/zinc/57/83/09/494578309.db2.gz VIMMIBFCAHXZKJ-QFIPXVFZSA-N 1 3 352.526 3.316 20 0 FGADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000568593898 505731365 /nfs/dbraw/zinc/73/13/65/505731365.db2.gz KUCOIIOIXFHMIW-BDTNDASRSA-N 1 3 363.505 3.318 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609467 /nfs/dbraw/zinc/60/94/67/494609467.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609470 /nfs/dbraw/zinc/60/94/70/494609470.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 1 3 360.546 3.071 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166879 494621435 /nfs/dbraw/zinc/62/14/35/494621435.db2.gz HNGNQYSISDRFTB-GHTZIAJQSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166297 494621833 /nfs/dbraw/zinc/62/18/33/494621833.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000080166297 494621839 /nfs/dbraw/zinc/62/18/39/494621839.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042329 494628277 /nfs/dbraw/zinc/62/82/77/494628277.db2.gz KXYHZDAMDMVNGT-FQEVSTJZSA-N 1 3 372.557 3.026 20 0 FGADHO CC[C@H](C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)N(C)C ZINC000126366783 494727254 /nfs/dbraw/zinc/72/72/54/494727254.db2.gz QRKDFUCAPHKBHP-OAQYLSRUSA-N 1 3 353.510 3.372 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108549574 494736350 /nfs/dbraw/zinc/73/63/50/494736350.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108549574 494736355 /nfs/dbraw/zinc/73/63/55/494736355.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 1 3 372.557 3.202 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116434594 494784629 /nfs/dbraw/zinc/78/46/29/494784629.db2.gz FFSIGEFYWBWTOP-SFHVURJKSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000116435990 494786614 /nfs/dbraw/zinc/78/66/14/494786614.db2.gz AVGIFSLDZKMLRV-GOSISDBHSA-N 1 3 372.557 3.195 20 0 FGADHO CN(c1ccccc1CN1CCC[C@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000092967838 494796885 /nfs/dbraw/zinc/79/68/85/494796885.db2.gz SJJCRJFEFICODM-NRFANRHFSA-N 1 3 367.541 3.251 20 0 FGADHO CCC[NH+]1CCC(N(C)Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000092165749 494803178 /nfs/dbraw/zinc/80/31/78/494803178.db2.gz UHRUIXTXDDQFPN-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116520321 494806054 /nfs/dbraw/zinc/80/60/54/494806054.db2.gz SOBCMTHQLDWXBN-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000126724705 494827118 /nfs/dbraw/zinc/82/71/18/494827118.db2.gz UTUNYAZUGVJDMH-IBGZPJMESA-N 1 3 370.566 3.366 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126732642 494827983 /nfs/dbraw/zinc/82/79/83/494827983.db2.gz UYDXSVUIAFBCHF-IFMALSPDSA-N 1 3 367.537 3.371 20 0 FGADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126732642 494827988 /nfs/dbraw/zinc/82/79/88/494827988.db2.gz UYDXSVUIAFBCHF-IFMALSPDSA-N 1 3 367.537 3.371 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121902922 494885789 /nfs/dbraw/zinc/88/57/89/494885789.db2.gz CGKASHYZHMBOBN-OAQYLSRUSA-N 1 3 357.542 3.006 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000132813858 494927925 /nfs/dbraw/zinc/92/79/25/494927925.db2.gz ALJCDUBUZZBTQM-INIZCTEOSA-N 1 3 368.477 3.223 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000122167234 494935112 /nfs/dbraw/zinc/93/51/12/494935112.db2.gz IJXHDTNWAGTLOF-UHFFFAOYSA-N 1 3 370.541 3.443 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000122167234 494935115 /nfs/dbraw/zinc/93/51/15/494935115.db2.gz IJXHDTNWAGTLOF-UHFFFAOYSA-N 1 3 370.541 3.443 20 0 FGADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000133050298 494961571 /nfs/dbraw/zinc/96/15/71/494961571.db2.gz AIVDNYZKBIPSTN-UHFFFAOYSA-N 1 3 366.431 3.498 20 0 FGADHO CN(C)CCOc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000122353125 494961936 /nfs/dbraw/zinc/96/19/36/494961936.db2.gz QLVIMEBJJDDYJO-UHFFFAOYSA-N 1 3 353.510 3.386 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049032 495037071 /nfs/dbraw/zinc/03/70/71/495037071.db2.gz WSCIKIQOELMLID-XJKSGUPXSA-N 1 3 367.946 3.054 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214260 495063086 /nfs/dbraw/zinc/06/30/86/495063086.db2.gz HHTAAFATVPADDF-LRDDRELGSA-N 1 3 370.324 3.158 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604944 505763275 /nfs/dbraw/zinc/76/32/75/505763275.db2.gz KQWRUEBZQGVZKS-VQTJNVASSA-N 1 3 354.498 3.013 20 0 FGADHO Cc1ccc(CN2CC[C@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455382 505763507 /nfs/dbraw/zinc/76/35/07/505763507.db2.gz DNHAFEXSLVIMBP-QGZVFWFLSA-N 1 3 351.560 3.069 20 0 FGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000134793624 495201782 /nfs/dbraw/zinc/20/17/82/495201782.db2.gz MJQPIFTUYSZUNZ-ZEOIANDVSA-N 1 3 352.522 3.444 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305525 495216713 /nfs/dbraw/zinc/21/67/13/495216713.db2.gz SZNGRIMQVAHDES-UXHICEINSA-N 1 3 364.578 3.158 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103612747 495249772 /nfs/dbraw/zinc/24/97/72/495249772.db2.gz KZFXAAOAJZFLKW-OAQYLSRUSA-N 1 3 372.557 3.115 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000129679174 495279917 /nfs/dbraw/zinc/27/99/17/495279917.db2.gz SBXPZXYACVYKSA-FPOVZHCZSA-N 1 3 372.557 3.053 20 0 FGADHO C[C@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000113597892 495319224 /nfs/dbraw/zinc/31/92/24/495319224.db2.gz PHSMMPIDELJDDG-LJQANCHMSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000113615064 495321247 /nfs/dbraw/zinc/32/12/47/495321247.db2.gz LCRQPTSCVJKAFJ-QGZVFWFLSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](N(C)C)C3)cc2)C1 ZINC000105113299 495337793 /nfs/dbraw/zinc/33/77/93/495337793.db2.gz KADRFQKNWLKDDA-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](N(C)C)C3)cc2)C1 ZINC000105113299 495337797 /nfs/dbraw/zinc/33/77/97/495337797.db2.gz KADRFQKNWLKDDA-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341421 /nfs/dbraw/zinc/34/14/21/495341421.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341423 /nfs/dbraw/zinc/34/14/23/495341423.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 1 3 372.557 3.021 20 0 FGADHO COc1ccc(OCc2ccccn2)c(CNCCC2CC[NH+](C)CC2)c1 ZINC000105454384 495364615 /nfs/dbraw/zinc/36/46/15/495364615.db2.gz LWHAVACYIXFTDG-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO CC[C@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531996 495399333 /nfs/dbraw/zinc/39/93/33/495399333.db2.gz NBIMJWIDBLZUCN-HXUWFJFHSA-N 1 3 357.542 3.073 20 0 FGADHO CCOc1ccccc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000137069836 495421761 /nfs/dbraw/zinc/42/17/61/495421761.db2.gz JXPJXTRCHCAFOZ-UHFFFAOYSA-N 1 3 359.514 3.222 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCOC1 ZINC000125334893 495427593 /nfs/dbraw/zinc/42/75/93/495427593.db2.gz GMXHKNTZKKVFQB-RBBKRZOGSA-N 1 3 359.558 3.302 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834546 495433727 /nfs/dbraw/zinc/43/37/27/495433727.db2.gz CZWXUMCIUYIBRJ-OAQYLSRUSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000137465347 495441493 /nfs/dbraw/zinc/44/14/93/495441493.db2.gz RIJVMZWNTDOBGM-LAUBAEHRSA-N 1 3 351.494 3.141 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782588 495483579 /nfs/dbraw/zinc/48/35/79/495483579.db2.gz MJBSHQZUABIRON-TZIWHRDSSA-N 1 3 372.557 3.161 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000139782588 495483581 /nfs/dbraw/zinc/48/35/81/495483581.db2.gz MJBSHQZUABIRON-TZIWHRDSSA-N 1 3 372.557 3.161 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154275372 495564401 /nfs/dbraw/zinc/56/44/01/495564401.db2.gz WEPWYLMPTMBDRG-IRXDYDNUSA-N 1 3 360.571 3.406 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154302855 495573808 /nfs/dbraw/zinc/57/38/08/495573808.db2.gz AOMYMMVJADNYCN-MRXNPFEDSA-N 1 3 351.560 3.095 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000154438054 495616076 /nfs/dbraw/zinc/61/60/76/495616076.db2.gz QJXQNEKDLGINMC-OAHLLOKOSA-N 1 3 359.436 3.263 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000182588536 495626711 /nfs/dbraw/zinc/62/67/11/495626711.db2.gz PPRKSXJSNIDZRC-HKUYNNGSSA-N 1 3 364.578 3.155 20 0 FGADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC)c(OC)c1 ZINC000159113797 495661205 /nfs/dbraw/zinc/66/12/05/495661205.db2.gz WKFLCKKTFOVFRU-GOSISDBHSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662516 495667667 /nfs/dbraw/zinc/66/76/67/495667667.db2.gz HPHGWECGPKZWOY-FCEWJHQRSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662516 495667670 /nfs/dbraw/zinc/66/76/70/495667670.db2.gz HPHGWECGPKZWOY-FCEWJHQRSA-N 1 3 366.933 3.322 20 0 FGADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662516 495667677 /nfs/dbraw/zinc/66/76/77/495667677.db2.gz HPHGWECGPKZWOY-FCEWJHQRSA-N 1 3 366.933 3.322 20 0 FGADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000182755879 495689799 /nfs/dbraw/zinc/68/97/99/495689799.db2.gz NCECDEVBPSKQDF-UHFFFAOYSA-N 1 3 371.569 3.405 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)Cc1ccccc1 ZINC000173827856 495710221 /nfs/dbraw/zinc/71/02/21/495710221.db2.gz KCJBFWJDCRQLKO-GIVPXCGWSA-N 1 3 374.573 3.064 20 0 FGADHO C[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151039934 495719128 /nfs/dbraw/zinc/71/91/28/495719128.db2.gz OCAYHLBLTLUMPO-SFHVURJKSA-N 1 3 368.525 3.473 20 0 FGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760840 /nfs/dbraw/zinc/76/08/40/495760840.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 1 3 354.922 3.024 20 0 FGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760843 /nfs/dbraw/zinc/76/08/43/495760843.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 1 3 354.922 3.024 20 0 FGADHO CC[NH+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000154971787 495789078 /nfs/dbraw/zinc/78/90/78/495789078.db2.gz VUHSUMJQWWJYQH-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO Cc1[nH]nc2ncc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807423 /nfs/dbraw/zinc/80/74/23/505807423.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 1 3 361.493 3.220 20 0 FGADHO Cc1[nH]nc2ncc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807428 /nfs/dbraw/zinc/80/74/28/505807428.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 1 3 361.493 3.220 20 0 FGADHO CCC[NH+]1CCC(N(C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000177050975 495902256 /nfs/dbraw/zinc/90/22/56/495902256.db2.gz CEDURLBDZLERRW-UHFFFAOYSA-N 1 3 351.922 3.153 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2c(C)noc2C)CC1 ZINC000152038283 496029439 /nfs/dbraw/zinc/02/94/39/496029439.db2.gz RDXOHJRJBNCQRV-UHFFFAOYSA-N 1 3 356.514 3.156 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000174625990 496037350 /nfs/dbraw/zinc/03/73/50/496037350.db2.gz NHGRETMXZFTLOV-GOSISDBHSA-N 1 3 351.560 3.368 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152243412 496092421 /nfs/dbraw/zinc/09/24/21/496092421.db2.gz PHPLBYHUZRWRIN-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO COc1cc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc(OC)c1OC ZINC000183952563 496174052 /nfs/dbraw/zinc/17/40/52/496174052.db2.gz ZFZLSOLBSCXHSY-OAHLLOKOSA-N 1 3 350.503 3.485 20 0 FGADHO C[C@@H](c1cccc(Br)c1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180931830 496204991 /nfs/dbraw/zinc/20/49/91/496204991.db2.gz XVFMVMVBTKELHM-HNNXBMFYSA-N 1 3 368.363 3.468 20 0 FGADHO C[C@@H](c1cccc(Br)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180931830 496204998 /nfs/dbraw/zinc/20/49/98/496204998.db2.gz XVFMVMVBTKELHM-HNNXBMFYSA-N 1 3 368.363 3.468 20 0 FGADHO CN(CCOc1cccc2ccccc21)CCN(C)C1CC[NH+](C)CC1 ZINC000180940779 496209951 /nfs/dbraw/zinc/20/99/51/496209951.db2.gz MDZTZXZPTAPYIC-UHFFFAOYSA-N 1 3 355.526 3.176 20 0 FGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000187148368 496314220 /nfs/dbraw/zinc/31/42/20/496314220.db2.gz OQAWHALFVLFBRH-QFIPXVFZSA-N 1 3 367.537 3.335 20 0 FGADHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000181345250 496360235 /nfs/dbraw/zinc/36/02/35/496360235.db2.gz FKQSGKQLZOVWGN-GOSISDBHSA-N 1 3 351.494 3.249 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458124 /nfs/dbraw/zinc/45/81/24/496458124.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 1 3 374.573 3.126 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458126 /nfs/dbraw/zinc/45/81/26/496458126.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 1 3 374.573 3.126 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000153599733 496513746 /nfs/dbraw/zinc/51/37/46/496513746.db2.gz ASHBPTFCKHWIIW-JOCHJYFZSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000574757348 505848813 /nfs/dbraw/zinc/84/88/13/505848813.db2.gz CRKLVLALZUQELJ-MRXNPFEDSA-N 1 3 350.466 3.309 20 0 FGADHO CCCN1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163525302 496528371 /nfs/dbraw/zinc/52/83/71/496528371.db2.gz UWJDTADJKPOMFV-UHFFFAOYSA-N 1 3 357.542 3.233 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660565 496531923 /nfs/dbraw/zinc/53/19/23/496531923.db2.gz AQQMDQFOPPFYBZ-RBUKOAKNSA-N 1 3 371.550 3.380 20 0 FGADHO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H](N)c1ccccc1 ZINC000178670593 496535340 /nfs/dbraw/zinc/53/53/40/496535340.db2.gz IOIVRKYFQHQPTR-LAUBAEHRSA-N 1 3 351.494 3.235 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000569099880 505853268 /nfs/dbraw/zinc/85/32/68/505853268.db2.gz RBOAYUYFXNIGHQ-HXUWFJFHSA-N 1 3 351.494 3.174 20 0 FGADHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000187937933 496624516 /nfs/dbraw/zinc/62/45/16/496624516.db2.gz AVFVKAUHDKAFBF-FQEVSTJZSA-N 1 3 357.473 3.358 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000164722836 496628418 /nfs/dbraw/zinc/62/84/18/496628418.db2.gz WUIOSIASXMOYGI-QGZVFWFLSA-N 1 3 366.347 3.492 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000165929271 496672862 /nfs/dbraw/zinc/67/28/62/496672862.db2.gz WWQCJXFSACWDQZ-ZFWWWQNUSA-N 1 3 373.335 3.465 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681873 /nfs/dbraw/zinc/68/18/73/496681873.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681879 /nfs/dbraw/zinc/68/18/79/496681879.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 1 3 372.557 3.243 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122906 496693933 /nfs/dbraw/zinc/69/39/33/496693933.db2.gz LFFPFDRHJSZGQB-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122906 496693938 /nfs/dbraw/zinc/69/39/38/496693938.db2.gz LFFPFDRHJSZGQB-KRWDZBQOSA-N 1 3 350.482 3.014 20 0 FGADHO C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543815 496702204 /nfs/dbraw/zinc/70/22/04/496702204.db2.gz WOCNUTYVFFAQDK-VURPSTOHSA-N 1 3 357.542 3.182 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000168706634 496711636 /nfs/dbraw/zinc/71/16/36/496711636.db2.gz ZVZSKLIPLNJNEK-CBQOVEMMSA-N 1 3 365.521 3.303 20 0 FGADHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000168706634 496711637 /nfs/dbraw/zinc/71/16/37/496711637.db2.gz ZVZSKLIPLNJNEK-CBQOVEMMSA-N 1 3 365.521 3.303 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CSCCc3ccccc32)C1 ZINC000182262747 496723054 /nfs/dbraw/zinc/72/30/54/496723054.db2.gz XCLNYNYZRHUAKE-UNMCSNQZSA-N 1 3 368.546 3.373 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CSCCc3ccccc32)C1 ZINC000182262747 496723056 /nfs/dbraw/zinc/72/30/56/496723056.db2.gz XCLNYNYZRHUAKE-UNMCSNQZSA-N 1 3 368.546 3.373 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000246987325 496743037 /nfs/dbraw/zinc/74/30/37/496743037.db2.gz KAVBJNBAUZAEBT-RCCFBDPRSA-N 1 3 366.575 3.303 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000191398557 496750514 /nfs/dbraw/zinc/75/05/14/496750514.db2.gz ZVXXADXYZJWAAZ-UHFFFAOYSA-N 1 3 373.463 3.433 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000191398557 496750520 /nfs/dbraw/zinc/75/05/20/496750520.db2.gz ZVXXADXYZJWAAZ-UHFFFAOYSA-N 1 3 373.463 3.433 20 0 FGADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864520 /nfs/dbraw/zinc/86/45/20/505864520.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 1 3 364.530 3.151 20 0 FGADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864523 /nfs/dbraw/zinc/86/45/23/505864523.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 1 3 364.530 3.151 20 0 FGADHO CC[N@@H+]1CC[C@H](NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124743 496787423 /nfs/dbraw/zinc/78/74/23/496787423.db2.gz RJQNYJPLMFMFNV-OZIGNCPNSA-N 1 3 359.558 3.116 20 0 FGADHO CC[N@H+]1CC[C@H](NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124743 496787431 /nfs/dbraw/zinc/78/74/31/496787431.db2.gz RJQNYJPLMFMFNV-OZIGNCPNSA-N 1 3 359.558 3.116 20 0 FGADHO CCN1CC[C@H]([NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000247124743 496787438 /nfs/dbraw/zinc/78/74/38/496787438.db2.gz RJQNYJPLMFMFNV-OZIGNCPNSA-N 1 3 359.558 3.116 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825878 /nfs/dbraw/zinc/82/58/78/496825878.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825885 /nfs/dbraw/zinc/82/58/85/496825885.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1C[C@H](NCc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961823 496836127 /nfs/dbraw/zinc/83/61/27/496836127.db2.gz XTCPJGYRICDQOZ-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@H](NCc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961823 496836135 /nfs/dbraw/zinc/83/61/35/496836135.db2.gz XTCPJGYRICDQOZ-GHTZIAJQSA-N 1 3 361.493 3.410 20 0 FGADHO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000268988775 496844067 /nfs/dbraw/zinc/84/40/67/496844067.db2.gz LWZDRVZLCLLJAQ-WIYYLYMNSA-N 1 3 356.510 3.444 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247486026 496870369 /nfs/dbraw/zinc/87/03/69/496870369.db2.gz VFCGRGHEOCGAOW-JZXOWHBKSA-N 1 3 366.575 3.161 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000247486026 496870375 /nfs/dbraw/zinc/87/03/75/496870375.db2.gz VFCGRGHEOCGAOW-JZXOWHBKSA-N 1 3 366.575 3.161 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062707 496950047 /nfs/dbraw/zinc/95/00/47/496950047.db2.gz YXICMSRAEDNDKC-WFXMLNOXSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062707 496950053 /nfs/dbraw/zinc/95/00/53/496950053.db2.gz YXICMSRAEDNDKC-WFXMLNOXSA-N 1 3 371.529 3.055 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000195746436 496964239 /nfs/dbraw/zinc/96/42/39/496964239.db2.gz AQEIPXCERJYYFD-PZJWPPBQSA-N 1 3 372.557 3.306 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407629 496999399 /nfs/dbraw/zinc/99/93/99/496999399.db2.gz UNJUPVGWFATFQQ-PWRODBHTSA-N 1 3 357.542 3.039 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000248553674 497037094 /nfs/dbraw/zinc/03/70/94/497037094.db2.gz HMQGZNANVSNICT-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000248553674 497037099 /nfs/dbraw/zinc/03/70/99/497037099.db2.gz HMQGZNANVSNICT-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c(C)c1 ZINC000248553674 497037108 /nfs/dbraw/zinc/03/71/08/497037108.db2.gz HMQGZNANVSNICT-SVFBPWRDSA-N 1 3 360.542 3.286 20 0 FGADHO CC(C)CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC000265101281 497048132 /nfs/dbraw/zinc/04/81/32/497048132.db2.gz HOBLGKXIAIECOI-UHFFFAOYSA-N 1 3 371.569 3.477 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1 ZINC000278386033 497096694 /nfs/dbraw/zinc/09/66/94/497096694.db2.gz CPFRLOPMBOLYLB-ROUUACIJSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278386033 497096698 /nfs/dbraw/zinc/09/66/98/497096698.db2.gz CPFRLOPMBOLYLB-ROUUACIJSA-N 1 3 356.514 3.332 20 0 FGADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278386033 497096706 /nfs/dbraw/zinc/09/67/06/497096706.db2.gz CPFRLOPMBOLYLB-ROUUACIJSA-N 1 3 356.514 3.332 20 0 FGADHO C[C@@H](NCCc1cn2c(n1)SCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274763083 497160051 /nfs/dbraw/zinc/16/00/51/497160051.db2.gz KQRDDBCHZZVSJI-SJLPKXTDSA-N 1 3 356.539 3.032 20 0 FGADHO C[C@@H](NCCc1cn2c(n1)SCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763083 497160053 /nfs/dbraw/zinc/16/00/53/497160053.db2.gz KQRDDBCHZZVSJI-SJLPKXTDSA-N 1 3 356.539 3.032 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237158571 497197770 /nfs/dbraw/zinc/19/77/70/497197770.db2.gz HCGYOFSBHPWCMU-SFHVURJKSA-N 1 3 355.457 3.396 20 0 FGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249483740 497210006 /nfs/dbraw/zinc/21/00/06/497210006.db2.gz TZGUFWCPTGKKAR-IPMKNSEASA-N 1 3 363.571 3.059 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000237481351 497243568 /nfs/dbraw/zinc/24/35/68/497243568.db2.gz YTVALSUGNPLEQN-UWJYYQICSA-N 1 3 351.494 3.418 20 0 FGADHO COc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933721 497251166 /nfs/dbraw/zinc/25/11/66/497251166.db2.gz HXZHKRMPWGAYMD-GOSISDBHSA-N 1 3 368.477 3.078 20 0 FGADHO CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000574972488 505895118 /nfs/dbraw/zinc/89/51/18/505895118.db2.gz KXMMCBFSMFDCQC-IVAOSVALSA-N 1 3 354.498 3.206 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000189948798 497303196 /nfs/dbraw/zinc/30/31/96/497303196.db2.gz CFVPSUGJPMOERF-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245432057 497402522 /nfs/dbraw/zinc/40/25/22/497402522.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000245432057 497402527 /nfs/dbraw/zinc/40/25/27/497402527.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 1 3 366.575 3.162 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000275725316 497413602 /nfs/dbraw/zinc/41/36/02/497413602.db2.gz WOINCEDMPZZKEX-FQEVSTJZSA-N 1 3 366.509 3.187 20 0 FGADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261607228 497419188 /nfs/dbraw/zinc/41/91/88/497419188.db2.gz ROLSWYLQZKYVPU-GIVPXCGWSA-N 1 3 355.526 3.030 20 0 FGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261886480 497468699 /nfs/dbraw/zinc/46/86/99/497468699.db2.gz ZDXHKAWXTZBRGG-PKOBYXMFSA-N 1 3 363.461 3.061 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245607342 497471025 /nfs/dbraw/zinc/47/10/25/497471025.db2.gz APLNWQAHUUAZEA-HLAWJBBLSA-N 1 3 372.557 3.099 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245607342 497471029 /nfs/dbraw/zinc/47/10/29/497471029.db2.gz APLNWQAHUUAZEA-HLAWJBBLSA-N 1 3 372.557 3.099 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193775751 497478045 /nfs/dbraw/zinc/47/80/45/497478045.db2.gz AZPAOPZMVWVYHV-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193775751 497478052 /nfs/dbraw/zinc/47/80/52/497478052.db2.gz AZPAOPZMVWVYHV-FQEVSTJZSA-N 1 3 351.494 3.000 20 0 FGADHO CN1CC=C(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000271913489 497485633 /nfs/dbraw/zinc/48/56/33/497485633.db2.gz YIRSAUKRQKXVMA-UHFFFAOYSA-N 1 3 351.897 3.295 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000276035277 497486021 /nfs/dbraw/zinc/48/60/21/497486021.db2.gz RQXMVPNFBRQRGQ-NRFANRHFSA-N 1 3 374.573 3.264 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1)C1CC1 ZINC000262027304 497495469 /nfs/dbraw/zinc/49/54/69/497495469.db2.gz BBOPEWKYVZCROO-QFIPXVFZSA-N 1 3 363.505 3.288 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1)C1CC1 ZINC000262027304 497495474 /nfs/dbraw/zinc/49/54/74/497495474.db2.gz BBOPEWKYVZCROO-QFIPXVFZSA-N 1 3 363.505 3.288 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498682 /nfs/dbraw/zinc/49/86/82/497498682.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498685 /nfs/dbraw/zinc/49/86/85/497498685.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117920 497510903 /nfs/dbraw/zinc/51/09/03/497510903.db2.gz BRWAOLHPEJPGAE-ZYSHUDEJSA-N 1 3 363.933 3.371 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193977645 497538232 /nfs/dbraw/zinc/53/82/32/497538232.db2.gz IKJZTFDFVYPRCJ-HLAWJBBLSA-N 1 3 358.526 3.454 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccsc1 ZINC000262331055 497541670 /nfs/dbraw/zinc/54/16/70/497541670.db2.gz RSOBUGLCMXTMJT-CNCYXEHGSA-N 1 3 363.571 3.401 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000272223084 497568989 /nfs/dbraw/zinc/56/89/89/497568989.db2.gz AJHHZQPOIQGWAD-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272223084 497568996 /nfs/dbraw/zinc/56/89/96/497568996.db2.gz AJHHZQPOIQGWAD-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO COc1ccc([C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223084 497569001 /nfs/dbraw/zinc/56/90/01/497569001.db2.gz AJHHZQPOIQGWAD-NQSCKRDGSA-N 1 3 354.494 3.229 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000262676509 497598263 /nfs/dbraw/zinc/59/82/63/497598263.db2.gz SOVBVZNYXKSMGC-CROMKPASSA-N 1 3 369.553 3.419 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289228 497624786 /nfs/dbraw/zinc/62/47/86/497624786.db2.gz PDCYPXPVUCKARV-SFHVURJKSA-N 1 3 357.502 3.048 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289228 497624791 /nfs/dbraw/zinc/62/47/91/497624791.db2.gz PDCYPXPVUCKARV-SFHVURJKSA-N 1 3 357.502 3.048 20 0 FGADHO CC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000276753273 497644226 /nfs/dbraw/zinc/64/42/26/497644226.db2.gz FFEMMRYZOHCLEV-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000272538783 497655631 /nfs/dbraw/zinc/65/56/31/497655631.db2.gz CEYSSPCXFHLFDO-VQIMIIECSA-N 1 3 370.493 3.410 20 0 FGADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246322663 497695617 /nfs/dbraw/zinc/69/56/17/497695617.db2.gz FNMUMJZCLYIMFE-KBAYOESNSA-N 1 3 363.571 3.440 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000246332678 497699048 /nfs/dbraw/zinc/69/90/48/497699048.db2.gz BERYCLKKYGRIOD-UXHICEINSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000246332678 497699049 /nfs/dbraw/zinc/69/90/49/497699049.db2.gz BERYCLKKYGRIOD-UXHICEINSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000272721683 497712513 /nfs/dbraw/zinc/71/25/13/497712513.db2.gz JFJFWRQYMBPSJD-DLBZAZTESA-N 1 3 358.530 3.065 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159068 497727905 /nfs/dbraw/zinc/72/79/05/497727905.db2.gz KYCGOZJJIXMIQK-FVUGJHJHSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159068 497727912 /nfs/dbraw/zinc/72/79/12/497727912.db2.gz KYCGOZJJIXMIQK-FVUGJHJHSA-N 1 3 360.542 3.154 20 0 FGADHO C[C@@H]1CC(O)C[C@H](C)N1Cc1cccc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1 ZINC000191159068 497727919 /nfs/dbraw/zinc/72/79/19/497727919.db2.gz KYCGOZJJIXMIQK-FVUGJHJHSA-N 1 3 360.542 3.154 20 0 FGADHO COc1cccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000191283226 497768133 /nfs/dbraw/zinc/76/81/33/497768133.db2.gz RDFVQOMUZIOINH-UHFFFAOYSA-N 1 3 369.509 3.251 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000246542559 497769771 /nfs/dbraw/zinc/76/97/71/497769771.db2.gz WPGDUCOQZKDVNZ-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000246542559 497769772 /nfs/dbraw/zinc/76/97/72/497769772.db2.gz WPGDUCOQZKDVNZ-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229250 497782965 /nfs/dbraw/zinc/78/29/65/497782965.db2.gz OPARCIWBONVAAF-SNRMKQJTSA-N 1 3 354.922 3.195 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229250 497782969 /nfs/dbraw/zinc/78/29/69/497782969.db2.gz OPARCIWBONVAAF-SNRMKQJTSA-N 1 3 354.922 3.195 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800447 /nfs/dbraw/zinc/80/04/47/497800447.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 1 3 367.459 3.496 20 0 FGADHO FC(F)(F)c1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800448 /nfs/dbraw/zinc/80/04/48/497800448.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 1 3 367.459 3.496 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246791815 497811454 /nfs/dbraw/zinc/81/14/54/497811454.db2.gz AMEHTUXWNLMLSR-ZWKOTPCHSA-N 1 3 360.546 3.242 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246791815 497811455 /nfs/dbraw/zinc/81/14/55/497811455.db2.gz AMEHTUXWNLMLSR-ZWKOTPCHSA-N 1 3 360.546 3.242 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000284548366 497825369 /nfs/dbraw/zinc/82/53/69/497825369.db2.gz XVNPTCCIGBQDCT-IRXDYDNUSA-N 1 3 356.432 3.388 20 0 FGADHO NC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240537 505941249 /nfs/dbraw/zinc/94/12/49/505941249.db2.gz JEZNUJRFOJJWNB-PZJWPPBQSA-N 1 3 366.509 3.156 20 0 FGADHO NC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240537 505941252 /nfs/dbraw/zinc/94/12/52/505941252.db2.gz JEZNUJRFOJJWNB-PZJWPPBQSA-N 1 3 366.509 3.156 20 0 FGADHO c1nc(C2OCCO2)sc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000289205142 498058773 /nfs/dbraw/zinc/05/87/73/498058773.db2.gz IABHKRAFIMYUTN-UHFFFAOYSA-N 1 3 373.522 3.190 20 0 FGADHO C[N@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296572 498094832 /nfs/dbraw/zinc/09/48/32/498094832.db2.gz QILIDGVSFAOYMT-RBUKOAKNSA-N 1 3 358.482 3.062 20 0 FGADHO C[N@@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296572 498094837 /nfs/dbraw/zinc/09/48/37/498094837.db2.gz QILIDGVSFAOYMT-RBUKOAKNSA-N 1 3 358.482 3.062 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000581403062 505980749 /nfs/dbraw/zinc/98/07/49/505980749.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 1 3 366.575 3.159 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000581403062 505980753 /nfs/dbraw/zinc/98/07/53/505980753.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 1 3 366.575 3.159 20 0 FGADHO COc1ncccc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000569653936 505984958 /nfs/dbraw/zinc/98/49/58/505984958.db2.gz WLPZGVQYIJHXQH-NJDAHSKKSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000569653936 505984962 /nfs/dbraw/zinc/98/49/62/505984962.db2.gz WLPZGVQYIJHXQH-NJDAHSKKSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000569653936 505984964 /nfs/dbraw/zinc/98/49/64/505984964.db2.gz WLPZGVQYIJHXQH-NJDAHSKKSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000292848892 498170083 /nfs/dbraw/zinc/17/00/83/498170083.db2.gz BSRODIZXQRDAHB-LJQANCHMSA-N 1 3 365.905 3.095 20 0 FGADHO COc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000292848892 498170090 /nfs/dbraw/zinc/17/00/90/498170090.db2.gz BSRODIZXQRDAHB-LJQANCHMSA-N 1 3 365.905 3.095 20 0 FGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1-n1ccnn1 ZINC000285804615 498206103 /nfs/dbraw/zinc/20/61/03/498206103.db2.gz VLUXNPOTLZPSIW-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000569699052 505996923 /nfs/dbraw/zinc/99/69/23/505996923.db2.gz HUHVZOHBLZMXDL-WMLDXEAASA-N 1 3 351.560 3.294 20 0 FGADHO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000281630951 498220951 /nfs/dbraw/zinc/22/09/51/498220951.db2.gz OGPCOFHVXHBWHL-INIZCTEOSA-N 1 3 374.554 3.403 20 0 FGADHO OCC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000285924216 498242277 /nfs/dbraw/zinc/24/22/77/498242277.db2.gz CNVJNMODKIDQND-FDFHNCONSA-N 1 3 372.553 3.056 20 0 FGADHO Cc1cc(Br)cn2c(CN(C)CC3CC[NH+](C)CC3)cnc12 ZINC000581514158 506005120 /nfs/dbraw/zinc/00/51/20/506005120.db2.gz ZZCPLBDUVKPDBU-UHFFFAOYSA-N 1 3 365.319 3.179 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1nc(-c2ccccc2)no1 ZINC000578734292 506008635 /nfs/dbraw/zinc/00/86/35/506008635.db2.gz BLRYTOBLCKDZOJ-INIZCTEOSA-N 1 3 363.465 3.494 20 0 FGADHO CSc1ccc(OCC[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000360502778 498279900 /nfs/dbraw/zinc/27/99/00/498279900.db2.gz HGIVFSUQGLARAG-UHFFFAOYSA-N 1 3 364.555 3.363 20 0 FGADHO CSc1ccc(OCC[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000360502778 498279907 /nfs/dbraw/zinc/27/99/07/498279907.db2.gz HGIVFSUQGLARAG-UHFFFAOYSA-N 1 3 364.555 3.363 20 0 FGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000286098180 498292188 /nfs/dbraw/zinc/29/21/88/498292188.db2.gz NCZSYEMANOQEGQ-OAHLLOKOSA-N 1 3 353.466 3.320 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000286098180 498292193 /nfs/dbraw/zinc/29/21/93/498292193.db2.gz NCZSYEMANOQEGQ-OAHLLOKOSA-N 1 3 353.466 3.320 20 0 FGADHO C/C(=C\c1ccccc1OC(F)F)CNCCC[NH+]1CCC(O)CC1 ZINC000289869976 498330616 /nfs/dbraw/zinc/33/06/16/498330616.db2.gz LRVJKPBUDWXCBQ-FYWRMAATSA-N 1 3 354.441 3.128 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000578806401 506025346 /nfs/dbraw/zinc/02/53/46/506025346.db2.gz OPXSPOLXWYGATM-HFSMHLIXSA-N 1 3 357.542 3.449 20 0 FGADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000578806401 506025349 /nfs/dbraw/zinc/02/53/49/506025349.db2.gz OPXSPOLXWYGATM-HFSMHLIXSA-N 1 3 357.542 3.449 20 0 FGADHO CSC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623605 506029782 /nfs/dbraw/zinc/02/97/82/506029782.db2.gz ULQSOZAXIRQAGS-LJQANCHMSA-N 1 3 360.567 3.400 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000575915335 506032489 /nfs/dbraw/zinc/03/24/89/506032489.db2.gz LCRHYRLBHIHCMD-WOJBJXKFSA-N 1 3 361.505 3.347 20 0 FGADHO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297508492 498474519 /nfs/dbraw/zinc/47/45/19/498474519.db2.gz VREQFLGZAZGZGO-INIZCTEOSA-N 1 3 362.518 3.333 20 0 FGADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)s2)cn1 ZINC000282359680 498480433 /nfs/dbraw/zinc/48/04/33/498480433.db2.gz XINMYBYQIWKGIZ-RTBURBONSA-N 1 3 374.554 3.006 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000290253003 498483591 /nfs/dbraw/zinc/48/35/91/498483591.db2.gz KAEQSPLZZRABJC-ROUUACIJSA-N 1 3 362.514 3.279 20 0 FGADHO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000290253003 498483597 /nfs/dbraw/zinc/48/35/97/498483597.db2.gz KAEQSPLZZRABJC-ROUUACIJSA-N 1 3 362.514 3.279 20 0 FGADHO O=C([C@@H]1CCCN1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824735 498501775 /nfs/dbraw/zinc/50/17/75/498501775.db2.gz AHMCLVAEBHNSDO-NRFANRHFSA-N 1 3 367.537 3.128 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1cccc2c1CCNC2 ZINC000572823075 506060689 /nfs/dbraw/zinc/06/06/89/506060689.db2.gz HTZVVWMZRQHJJM-SFHVURJKSA-N 1 3 356.514 3.251 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1cccc2c1CCNC2 ZINC000572823075 506060691 /nfs/dbraw/zinc/06/06/91/506060691.db2.gz HTZVVWMZRQHJJM-SFHVURJKSA-N 1 3 356.514 3.251 20 0 FGADHO [NH3+]C1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCCCCC1 ZINC000572824451 506060997 /nfs/dbraw/zinc/06/09/97/506060997.db2.gz JFRQDADQBIVRSM-UHFFFAOYSA-N 1 3 372.557 3.044 20 0 FGADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000581819167 506067379 /nfs/dbraw/zinc/06/73/79/506067379.db2.gz GYYDUJHCOVSSIN-PWIZWCRZSA-N 1 3 361.530 3.102 20 0 FGADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000365826340 498657207 /nfs/dbraw/zinc/65/72/07/498657207.db2.gz PSYGZARDRHVDIY-SFHVURJKSA-N 1 3 369.557 3.154 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000303240094 498657289 /nfs/dbraw/zinc/65/72/89/498657289.db2.gz IZULLISGXOMYNB-RXVVDRJESA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240094 498657292 /nfs/dbraw/zinc/65/72/92/498657292.db2.gz IZULLISGXOMYNB-RXVVDRJESA-N 1 3 372.557 3.242 20 0 FGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868544 506071663 /nfs/dbraw/zinc/07/16/63/506071663.db2.gz FZDPZORWSNBGCA-MFKMUULPSA-N 1 3 350.816 3.273 20 0 FGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000572868544 506071665 /nfs/dbraw/zinc/07/16/65/506071665.db2.gz FZDPZORWSNBGCA-MFKMUULPSA-N 1 3 350.816 3.273 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C[C@H](C)O1 ZINC000298259121 498712467 /nfs/dbraw/zinc/71/24/67/498712467.db2.gz FIZWXHYQXAQZDC-HDICACEKSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)C[C@H](C)O1 ZINC000298259121 498712472 /nfs/dbraw/zinc/71/24/72/498712472.db2.gz FIZWXHYQXAQZDC-HDICACEKSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C[C@@H](C)O1 ZINC000298259131 498712812 /nfs/dbraw/zinc/71/28/12/498712812.db2.gz FIZWXHYQXAQZDC-QZTJIDSGSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@@H]1CN(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)C[C@@H](C)O1 ZINC000298259131 498712818 /nfs/dbraw/zinc/71/28/18/498712818.db2.gz FIZWXHYQXAQZDC-QZTJIDSGSA-N 1 3 357.542 3.012 20 0 FGADHO O=C1CCCCN1c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298402915 498759177 /nfs/dbraw/zinc/75/91/77/498759177.db2.gz LXLMUMBCQZJIIX-UHFFFAOYSA-N 1 3 364.493 3.357 20 0 FGADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000312592141 498760079 /nfs/dbraw/zinc/76/00/79/498760079.db2.gz XDHWKAMZKOAMCI-KSEOMHKRSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000312592141 498760085 /nfs/dbraw/zinc/76/00/85/498760085.db2.gz XDHWKAMZKOAMCI-KSEOMHKRSA-N 1 3 368.521 3.235 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592141 498760090 /nfs/dbraw/zinc/76/00/90/498760090.db2.gz XDHWKAMZKOAMCI-KSEOMHKRSA-N 1 3 368.521 3.235 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581931426 506093161 /nfs/dbraw/zinc/09/31/61/506093161.db2.gz WEJFJNSEUAKLRZ-XLIONFOSSA-N 1 3 374.529 3.285 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000283196876 498813184 /nfs/dbraw/zinc/81/31/84/498813184.db2.gz RCBNUKUCEYLADM-ZVDOUQERSA-N 1 3 369.553 3.391 20 0 FGADHO CCOC(=O)[C@H]1CC[C@H](NC2CC[NH+](CCCOC)CC2)c2ccccc21 ZINC000283360940 498862611 /nfs/dbraw/zinc/86/26/11/498862611.db2.gz NDSRANYKHACWGR-SFTDATJTSA-N 1 3 374.525 3.259 20 0 FGADHO FC(F)(F)c1ccn(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000576233483 506109302 /nfs/dbraw/zinc/10/93/02/506109302.db2.gz ZUZJCDXNUTWHCK-UHFFFAOYSA-N 1 3 364.415 3.385 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000287999147 498921116 /nfs/dbraw/zinc/92/11/16/498921116.db2.gz BHWLEVMUWYDKHB-NRFANRHFSA-N 1 3 373.541 3.067 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000570207563 506115572 /nfs/dbraw/zinc/11/55/72/506115572.db2.gz MHZYKLQDKFUBQX-DUXKGJEZSA-N 1 3 365.521 3.492 20 0 FGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283800 498984487 /nfs/dbraw/zinc/98/44/87/498984487.db2.gz XDTUWOPPERVCFD-WAOWUJCRSA-N 1 3 372.557 3.021 20 0 FGADHO O=C([C@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000582063305 506125591 /nfs/dbraw/zinc/12/55/91/506125591.db2.gz WZQCXCOKXYZREM-SFTDATJTSA-N 1 3 355.526 3.062 20 0 FGADHO C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000288360358 499004147 /nfs/dbraw/zinc/00/41/47/499004147.db2.gz KPQWDZSCMJMAPV-PZJWPPBQSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000366736230 499055118 /nfs/dbraw/zinc/05/51/18/499055118.db2.gz FTXWCEFFCIDVIQ-OALUTQOASA-N 1 3 356.514 3.177 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178762 /nfs/dbraw/zinc/17/87/62/499178762.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 1 3 356.510 3.315 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178764 /nfs/dbraw/zinc/17/87/64/499178764.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 1 3 356.510 3.315 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@@H]3CCN(C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334947 499183527 /nfs/dbraw/zinc/18/35/27/499183527.db2.gz SLFWGUHTFSCHCI-FUHWJXTLSA-N 1 3 355.511 3.190 20 0 FGADHO CC(C)N1CCC([NH2+][C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374458 499190395 /nfs/dbraw/zinc/19/03/95/499190395.db2.gz IOJOCDKWOCDODN-NHCUHLMSSA-N 1 3 355.526 3.127 20 0 FGADHO COc1ccccc1C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C(C)C ZINC000370636630 499238296 /nfs/dbraw/zinc/23/82/96/499238296.db2.gz RYNPMPWUUOZXOZ-PZJWPPBQSA-N 1 3 359.558 3.020 20 0 FGADHO COc1ccccc1C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C(C)C ZINC000370636628 499238347 /nfs/dbraw/zinc/23/83/47/499238347.db2.gz RYNPMPWUUOZXOZ-FPOVZHCZSA-N 1 3 359.558 3.020 20 0 FGADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)F)cc1 ZINC000370637556 499238442 /nfs/dbraw/zinc/23/84/42/499238442.db2.gz UWEPHPWSJCSVGW-QFBILLFUSA-N 1 3 367.484 3.497 20 0 FGADHO Cc1ccccc1OCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370691598 499244798 /nfs/dbraw/zinc/24/47/98/499244798.db2.gz QBNGWUJZZVQBCW-UHFFFAOYSA-N 1 3 359.558 3.254 20 0 FGADHO c1cc(CN2CCC[C@]23CCOC3)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000370725303 499248336 /nfs/dbraw/zinc/24/83/36/499248336.db2.gz QWNGBUOCRCMENZ-FGZHOGPDSA-N 1 3 356.510 3.196 20 0 FGADHO c1cc(CN2CCC[C@]23CCOC3)cc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000370725303 499248338 /nfs/dbraw/zinc/24/83/38/499248338.db2.gz QWNGBUOCRCMENZ-FGZHOGPDSA-N 1 3 356.510 3.196 20 0 FGADHO C[C@@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCO1 ZINC000370730544 499249223 /nfs/dbraw/zinc/24/92/23/499249223.db2.gz OYRGDLAATPHQIK-XBYSBRQOSA-N 1 3 371.569 3.273 20 0 FGADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775629 499253472 /nfs/dbraw/zinc/25/34/72/499253472.db2.gz WYENJKFOSKOQHC-QAPCUYQASA-N 1 3 371.447 3.204 20 0 FGADHO COc1ccccc1/C=C/CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368295250 499282889 /nfs/dbraw/zinc/28/28/89/499282889.db2.gz ZWMCSMCWFJVWKE-SOFGYWHQSA-N 1 3 357.542 3.058 20 0 FGADHO c1ccc2sc(N3CCC(N[C@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110533 499289444 /nfs/dbraw/zinc/28/94/44/499289444.db2.gz ZITYZYAJJKQHGJ-IRXDYDNUSA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC(N[C@H]4CC[N@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110533 499289445 /nfs/dbraw/zinc/28/94/45/499289445.db2.gz ZITYZYAJJKQHGJ-IRXDYDNUSA-N 1 3 356.539 3.482 20 0 FGADHO c1ccc2sc(N3CCC([NH2+][C@H]4CCN5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110533 499289447 /nfs/dbraw/zinc/28/94/47/499289447.db2.gz ZITYZYAJJKQHGJ-IRXDYDNUSA-N 1 3 356.539 3.482 20 0 FGADHO Cc1nc(CCN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000368474139 499299612 /nfs/dbraw/zinc/29/96/12/499299612.db2.gz DHXXCANKTBOXAC-UHFFFAOYSA-N 1 3 364.603 3.122 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304249 499307900 /nfs/dbraw/zinc/30/79/00/499307900.db2.gz SDTMHZXYOTUJSG-HTAPYJJXSA-N 1 3 352.526 3.001 20 0 FGADHO CCCN1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000369154970 499371778 /nfs/dbraw/zinc/37/17/78/499371778.db2.gz JFTMEKDNWPJHCT-UHFFFAOYSA-N 1 3 352.526 3.227 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372234387 499411320 /nfs/dbraw/zinc/41/13/20/499411320.db2.gz YCMDHUPDPDAHJU-QUCCMNQESA-N 1 3 352.526 3.262 20 0 FGADHO C[N@H+](C[C@@H]1CC12CCN(Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355353 499506056 /nfs/dbraw/zinc/50/60/56/499506056.db2.gz KDIOKAJJBGZBOU-KRWDZBQOSA-N 1 3 360.473 3.389 20 0 FGADHO C[N@@H+](C[C@@H]1CC12CCN(Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355353 499506058 /nfs/dbraw/zinc/50/60/58/499506058.db2.gz KDIOKAJJBGZBOU-KRWDZBQOSA-N 1 3 360.473 3.389 20 0 FGADHO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CC3(CCN(C)CC3)Oc3ccccc31)C2 ZINC000378440852 499517096 /nfs/dbraw/zinc/51/70/96/499517096.db2.gz CWGYCRREDZLTQM-IEBWSBKVSA-N 1 3 366.509 3.084 20 0 FGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000378510723 499526036 /nfs/dbraw/zinc/52/60/36/499526036.db2.gz INNAKQAZBCWEFN-BEFAXECRSA-N 1 3 356.514 3.468 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632562 499542313 /nfs/dbraw/zinc/54/23/13/499542313.db2.gz SQKUUAPJMAPZHL-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632562 499542314 /nfs/dbraw/zinc/54/23/14/499542314.db2.gz SQKUUAPJMAPZHL-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740234 499550404 /nfs/dbraw/zinc/55/04/04/499550404.db2.gz FDHFDYHZRHAOBL-SUXRQNKWSA-N 1 3 350.453 3.457 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000375740234 499550405 /nfs/dbraw/zinc/55/04/05/499550405.db2.gz FDHFDYHZRHAOBL-SUXRQNKWSA-N 1 3 350.453 3.457 20 0 FGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586231 499554500 /nfs/dbraw/zinc/55/45/00/499554500.db2.gz FOMNDEZJUVGAIO-BWAGFHJFSA-N 1 3 351.494 3.012 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375814145 499558321 /nfs/dbraw/zinc/55/83/21/499558321.db2.gz KUOXUVPYUQDBLO-QAPCUYQASA-N 1 3 371.447 3.043 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375814145 499558322 /nfs/dbraw/zinc/55/83/22/499558322.db2.gz KUOXUVPYUQDBLO-QAPCUYQASA-N 1 3 371.447 3.043 20 0 FGADHO C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)CN(C)C ZINC000394584066 499562031 /nfs/dbraw/zinc/56/20/31/499562031.db2.gz VYOHVQBTZIALBA-SNVBAGLBSA-N 1 3 364.125 3.499 20 0 FGADHO CCN(CC)CCN(CCC(F)(F)F)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377057545 499657612 /nfs/dbraw/zinc/65/76/12/499657612.db2.gz QYTWEFDTWKUIEG-IRXDYDNUSA-N 1 3 364.500 3.056 20 0 FGADHO C[N@H+](CCN1CCN(CCCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000410369844 499658058 /nfs/dbraw/zinc/65/80/58/499658058.db2.gz QAKMVJCPJKAYDV-UHFFFAOYSA-N 1 3 373.585 3.333 20 0 FGADHO C[N@@H+](CCN1CCN(CCCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000410369844 499658059 /nfs/dbraw/zinc/65/80/59/499658059.db2.gz QAKMVJCPJKAYDV-UHFFFAOYSA-N 1 3 373.585 3.333 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000570382812 506155250 /nfs/dbraw/zinc/15/52/50/506155250.db2.gz JUCHVRBTRXEZKE-QGZVFWFLSA-N 1 3 366.575 3.208 20 0 FGADHO C[C@H](CCc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377708813 499723442 /nfs/dbraw/zinc/72/34/42/499723442.db2.gz YBLIYAZAZJGIQI-JIMIUWDKSA-N 1 3 359.533 3.390 20 0 FGADHO C[C@H](CCc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377708813 499723443 /nfs/dbraw/zinc/72/34/43/499723443.db2.gz YBLIYAZAZJGIQI-JIMIUWDKSA-N 1 3 359.533 3.390 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000411516194 499750084 /nfs/dbraw/zinc/75/00/84/499750084.db2.gz JJIAGLIZJXHMMV-LJQANCHMSA-N 1 3 371.550 3.222 20 0 FGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414193370 499767443 /nfs/dbraw/zinc/76/74/43/499767443.db2.gz MPSNGIMKCXTLPI-JOCHJYFZSA-N 1 3 373.585 3.468 20 0 FGADHO CC(C)c1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414205829 499768444 /nfs/dbraw/zinc/76/84/44/499768444.db2.gz XSVAMYICPFLKEE-LJQANCHMSA-N 1 3 359.558 3.257 20 0 FGADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203895 499768487 /nfs/dbraw/zinc/76/84/87/499768487.db2.gz VRAKWHUTYCHOGP-GOSISDBHSA-N 1 3 371.525 3.188 20 0 FGADHO OC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000414294297 499775197 /nfs/dbraw/zinc/77/51/97/499775197.db2.gz BXFTZIFETZXIFB-YPAWHYETSA-N 1 3 372.553 3.198 20 0 FGADHO OC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC000414302192 499775856 /nfs/dbraw/zinc/77/58/56/499775856.db2.gz KGTOFJGIRMILPQ-BHIFYINESA-N 1 3 372.553 3.198 20 0 FGADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(F)c1 ZINC000414319601 499777363 /nfs/dbraw/zinc/77/73/63/499777363.db2.gz AETMPPGOSYHDGR-INIZCTEOSA-N 1 3 369.484 3.374 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@@H]1C ZINC000414344405 499779724 /nfs/dbraw/zinc/77/97/24/499779724.db2.gz RLRIYMYKCUNGBK-LLGFUMIMSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411159 499788306 /nfs/dbraw/zinc/78/83/06/499788306.db2.gz PHGJMAOYCCPQFB-LPHOPBHVSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411159 499788307 /nfs/dbraw/zinc/78/83/07/499788307.db2.gz PHGJMAOYCCPQFB-LPHOPBHVSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411159 499788309 /nfs/dbraw/zinc/78/83/09/499788309.db2.gz PHGJMAOYCCPQFB-LPHOPBHVSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411160 499788356 /nfs/dbraw/zinc/78/83/56/499788356.db2.gz PHGJMAOYCCPQFB-QFBILLFUSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411160 499788357 /nfs/dbraw/zinc/78/83/57/499788357.db2.gz PHGJMAOYCCPQFB-QFBILLFUSA-N 1 3 369.475 3.472 20 0 FGADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411160 499788358 /nfs/dbraw/zinc/78/83/58/499788358.db2.gz PHGJMAOYCCPQFB-QFBILLFUSA-N 1 3 369.475 3.472 20 0 FGADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732580 499824314 /nfs/dbraw/zinc/82/43/14/499824314.db2.gz CTOPMMZSNRPOPJ-HUUCEWRRSA-N 1 3 371.447 3.286 20 0 FGADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732580 499824315 /nfs/dbraw/zinc/82/43/15/499824315.db2.gz CTOPMMZSNRPOPJ-HUUCEWRRSA-N 1 3 371.447 3.286 20 0 FGADHO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737970 499825222 /nfs/dbraw/zinc/82/52/22/499825222.db2.gz OREXHOWDKIAFLB-KGLIPLIRSA-N 1 3 368.319 3.016 20 0 FGADHO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738554 499825232 /nfs/dbraw/zinc/82/52/32/499825232.db2.gz PHEVJMGIKZHXQZ-OLZOCXBDSA-N 1 3 358.313 3.184 20 0 FGADHO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414738554 499825233 /nfs/dbraw/zinc/82/52/33/499825233.db2.gz PHEVJMGIKZHXQZ-OLZOCXBDSA-N 1 3 358.313 3.184 20 0 FGADHO CCCCc1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414744509 499825792 /nfs/dbraw/zinc/82/57/92/499825792.db2.gz WMQJSMGALNLMTQ-KRWDZBQOSA-N 1 3 371.525 3.405 20 0 FGADHO CCCCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414744509 499825794 /nfs/dbraw/zinc/82/57/94/499825794.db2.gz WMQJSMGALNLMTQ-KRWDZBQOSA-N 1 3 371.525 3.405 20 0 FGADHO C[C@@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771721 499828963 /nfs/dbraw/zinc/82/89/63/499828963.db2.gz AHJROZYAJRHHOK-YOEHRIQHSA-N 1 3 356.432 3.496 20 0 FGADHO C[C@@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771721 499828964 /nfs/dbraw/zinc/82/89/64/499828964.db2.gz AHJROZYAJRHHOK-YOEHRIQHSA-N 1 3 356.432 3.496 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412161048 499829043 /nfs/dbraw/zinc/82/90/43/499829043.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 1 3 357.542 3.275 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000412161048 499829045 /nfs/dbraw/zinc/82/90/45/499829045.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 1 3 357.542 3.275 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000412161055 499829071 /nfs/dbraw/zinc/82/90/71/499829071.db2.gz LBXKVFAAZMWLHP-TYZHSBRISA-N 1 3 357.542 3.275 20 0 FGADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000412161055 499829072 /nfs/dbraw/zinc/82/90/72/499829072.db2.gz LBXKVFAAZMWLHP-TYZHSBRISA-N 1 3 357.542 3.275 20 0 FGADHO c1ccc(CC(Cc2ccccc2)CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414773790 499829320 /nfs/dbraw/zinc/82/93/20/499829320.db2.gz SWXRNPQFQGJWIP-DEOSSOPVSA-N 1 3 363.549 3.068 20 0 FGADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCC(C)C ZINC000414791836 499831574 /nfs/dbraw/zinc/83/15/74/499831574.db2.gz RJRYYOOULLFGOO-NQIIRXRSSA-N 1 3 362.514 3.058 20 0 FGADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OCc1cccnc1 ZINC000414802805 499832744 /nfs/dbraw/zinc/83/27/44/499832744.db2.gz NEJLECKWFUZITO-RTBURBONSA-N 1 3 355.482 3.276 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414847071 499837280 /nfs/dbraw/zinc/83/72/80/499837280.db2.gz UNNXNVWPBPCJBZ-ZDUSSCGKSA-N 1 3 368.319 3.417 20 0 FGADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882824 499841043 /nfs/dbraw/zinc/84/10/43/499841043.db2.gz UPDOOUHRWNOEEA-NXEZZACHSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882824 499841044 /nfs/dbraw/zinc/84/10/44/499841044.db2.gz UPDOOUHRWNOEEA-NXEZZACHSA-N 1 3 351.800 3.260 20 0 FGADHO CN(c1ccccc1CNC[C@@H]1[NH2+]CCCC1(C)C)C1CCN(C)CC1 ZINC000414927459 499845289 /nfs/dbraw/zinc/84/52/89/499845289.db2.gz LYIFMAJUFLZFMV-NRFANRHFSA-N 1 3 358.574 3.085 20 0 FGADHO [NH3+]C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944255 499847269 /nfs/dbraw/zinc/84/72/69/499847269.db2.gz PLCSHGCRBKLKBZ-HSZRJFAPSA-N 1 3 360.505 3.489 20 0 FGADHO NC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc2ccccc2c1 ZINC000414944255 499847270 /nfs/dbraw/zinc/84/72/70/499847270.db2.gz PLCSHGCRBKLKBZ-HSZRJFAPSA-N 1 3 360.505 3.489 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414950346 499848014 /nfs/dbraw/zinc/84/80/14/499848014.db2.gz OMGRCVYXRRFFON-BZPMIXESSA-N 1 3 359.392 3.032 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414950346 499848015 /nfs/dbraw/zinc/84/80/15/499848015.db2.gz OMGRCVYXRRFFON-BZPMIXESSA-N 1 3 359.392 3.032 20 0 FGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414982060 499851151 /nfs/dbraw/zinc/85/11/51/499851151.db2.gz YFVOFIZISYHKFR-HNNXBMFYSA-N 1 3 352.404 3.369 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000415011011 499854823 /nfs/dbraw/zinc/85/48/23/499854823.db2.gz VQJIJMYMRPAGOQ-DGCLKSJQSA-N 1 3 354.285 3.181 20 0 FGADHO Cn1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000415014385 499855054 /nfs/dbraw/zinc/85/50/54/499855054.db2.gz WZQFJZIJEUFBOQ-UONOGXRCSA-N 1 3 352.404 3.070 20 0 FGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000415025202 499855876 /nfs/dbraw/zinc/85/58/76/499855876.db2.gz PFEIATSUPPXXRD-JOCQHMNTSA-N 1 3 368.312 3.429 20 0 FGADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000415103595 499863899 /nfs/dbraw/zinc/86/38/99/499863899.db2.gz KPKHXLGIEAAXRD-DZFGPLHGSA-N 1 3 363.496 3.440 20 0 FGADHO CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OCC ZINC000415119361 499865934 /nfs/dbraw/zinc/86/59/34/499865934.db2.gz FDXQHFIESRKZMV-UYAOXDASSA-N 1 3 362.514 3.202 20 0 FGADHO CCCOc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415129390 499867859 /nfs/dbraw/zinc/86/78/59/499867859.db2.gz PIPFELILCXSJHN-RXVVDRJESA-N 1 3 362.514 3.202 20 0 FGADHO Cc1ccccc1COc1c(C)cc(CN2CCC(O)(C[NH3+])CC2)cc1C ZINC000415146659 499870037 /nfs/dbraw/zinc/87/00/37/499870037.db2.gz YXSJCWSJMAPNGD-UHFFFAOYSA-N 1 3 368.521 3.476 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000415906355 499926764 /nfs/dbraw/zinc/92/67/64/499926764.db2.gz XKDYBKCIWQOOIO-FQEVSTJZSA-N 1 3 352.482 3.365 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000415909960 499927283 /nfs/dbraw/zinc/92/72/83/499927283.db2.gz UZDRNKKLTGLIJL-UHFFFAOYSA-N 1 3 360.527 3.453 20 0 FGADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000415910884 499927448 /nfs/dbraw/zinc/92/74/48/499927448.db2.gz CKVSLFMZNBGXCB-UXHICEINSA-N 1 3 352.482 3.363 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000415913634 499927601 /nfs/dbraw/zinc/92/76/01/499927601.db2.gz QBTSJRDWLQCZNT-LPHOPBHVSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000415931044 499929941 /nfs/dbraw/zinc/92/99/41/499929941.db2.gz LFPPUUXMLSATFY-OXJNMPFZSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1 ZINC000415937033 499930869 /nfs/dbraw/zinc/93/08/69/499930869.db2.gz XBGYHHNPKHQXSM-NRFANRHFSA-N 1 3 366.509 3.438 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000415948451 499931949 /nfs/dbraw/zinc/93/19/49/499931949.db2.gz YNCHGXSDUBSGQE-UHFFFAOYSA-N 1 3 354.498 3.392 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N2CCCC2)cc1 ZINC000415969113 499935415 /nfs/dbraw/zinc/93/54/15/499935415.db2.gz DEDHJPKPKJDKHN-HXUWFJFHSA-N 1 3 352.482 3.412 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@H](C)C1 ZINC000413507855 499975189 /nfs/dbraw/zinc/97/51/89/499975189.db2.gz TWDPOZCQOCBSRY-NQIIRXRSSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@H](C)C1 ZINC000413507855 499975192 /nfs/dbraw/zinc/97/51/92/499975192.db2.gz TWDPOZCQOCBSRY-NQIIRXRSSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H](OC[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573317469 506170674 /nfs/dbraw/zinc/17/06/74/506170674.db2.gz JHOSTRWFULOAOE-RLFYNMQTSA-N 1 3 356.938 3.344 20 0 FGADHO COC(=O)c1ccc(CNC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421370875 500030057 /nfs/dbraw/zinc/03/00/57/500030057.db2.gz JBHWSTBJDAWSSC-UHFFFAOYSA-N 1 3 369.303 3.198 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000417351640 500047181 /nfs/dbraw/zinc/04/71/81/500047181.db2.gz CZTHYVMLDPSURN-JKWVGCSGSA-N 1 3 370.541 3.056 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000417356881 500047834 /nfs/dbraw/zinc/04/78/34/500047834.db2.gz QMOFFSRXEAODEX-VQTJNVASSA-N 1 3 360.546 3.147 20 0 FGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386276 500057012 /nfs/dbraw/zinc/05/70/12/500057012.db2.gz SRHHGYAHPOMVGV-PKOBYXMFSA-N 1 3 352.563 3.187 20 0 FGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429431148 500077621 /nfs/dbraw/zinc/07/76/21/500077621.db2.gz SQAKOGLTTFMPQY-OAHLLOKOSA-N 1 3 369.347 3.064 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564627 500104432 /nfs/dbraw/zinc/10/44/32/500104432.db2.gz FNOHXQFKGIVHNO-UWJYYQICSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417589884 500119474 /nfs/dbraw/zinc/11/94/74/500119474.db2.gz QQILKXSERXIXFK-GIVPXCGWSA-N 1 3 372.557 3.071 20 0 FGADHO CC1(C)CC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000416788453 500121053 /nfs/dbraw/zinc/12/10/53/500121053.db2.gz BJMCDZWREDAALA-IBGZPJMESA-N 1 3 368.525 3.448 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@H]2C)CC1 ZINC000425519383 500131768 /nfs/dbraw/zinc/13/17/68/500131768.db2.gz GGHUCSQCTQPMBG-IEBWSBKVSA-N 1 3 357.542 3.196 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000417644540 500135668 /nfs/dbraw/zinc/13/56/68/500135668.db2.gz AJPUHKOZRFJMOM-DYESRHJHSA-N 1 3 366.509 3.170 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000416849252 500137789 /nfs/dbraw/zinc/13/77/89/500137789.db2.gz XRABOTVTYAYCIL-NHCUHLMSSA-N 1 3 372.557 3.101 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417690768 500149275 /nfs/dbraw/zinc/14/92/75/500149275.db2.gz LRPFDIWMAKDHMU-YLJYHZDGSA-N 1 3 360.546 3.227 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000417698497 500152016 /nfs/dbraw/zinc/15/20/16/500152016.db2.gz GIVUOCJUFXPGCF-LPHOPBHVSA-N 1 3 354.498 3.115 20 0 FGADHO Clc1cccc(-c2noc(CCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455042 506179381 /nfs/dbraw/zinc/17/93/81/506179381.db2.gz NWGJCATYCXLBHL-DOTOQJQBSA-N 1 3 360.889 3.397 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822052 500159478 /nfs/dbraw/zinc/15/94/78/500159478.db2.gz VOISZINBXBFRTF-MRXNPFEDSA-N 1 3 355.929 3.417 20 0 FGADHO C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416946287 500163543 /nfs/dbraw/zinc/16/35/43/500163543.db2.gz ARNQLFFLTKMMSM-KRWDZBQOSA-N 1 3 368.525 3.342 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000417011784 500183516 /nfs/dbraw/zinc/18/35/16/500183516.db2.gz UARATRBYAJETNJ-BQFCYCMXSA-N 1 3 366.575 3.195 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000417866125 500187039 /nfs/dbraw/zinc/18/70/39/500187039.db2.gz DBTROSUEIZYLEN-WWMYMODYSA-N 1 3 366.509 3.169 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000417866123 500187227 /nfs/dbraw/zinc/18/72/27/500187227.db2.gz DBTROSUEIZYLEN-LLGFUMIMSA-N 1 3 366.509 3.169 20 0 FGADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000425933790 500213496 /nfs/dbraw/zinc/21/34/96/500213496.db2.gz WVRSOKUNPSHODN-CHWSQXEVSA-N 1 3 361.408 3.090 20 0 FGADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000425933790 500213498 /nfs/dbraw/zinc/21/34/98/500213498.db2.gz WVRSOKUNPSHODN-CHWSQXEVSA-N 1 3 361.408 3.090 20 0 FGADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418159858 500239294 /nfs/dbraw/zinc/23/92/94/500239294.db2.gz RKMRFLKFROZPMN-SFHVURJKSA-N 1 3 360.546 3.104 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000426134226 500239875 /nfs/dbraw/zinc/23/98/75/500239875.db2.gz SHELQQBNHFSQKO-QGZVFWFLSA-N 1 3 362.518 3.013 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418188232 500245536 /nfs/dbraw/zinc/24/55/36/500245536.db2.gz GEPSLVCXNKINID-DYESRHJHSA-N 1 3 374.573 3.257 20 0 FGADHO C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418190125 500245880 /nfs/dbraw/zinc/24/58/80/500245880.db2.gz WBMGJUDWUPRXPN-DZFGPLHGSA-N 1 3 368.525 3.457 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418198231 500247872 /nfs/dbraw/zinc/24/78/72/500247872.db2.gz UYODJDVQMYCNHB-YYWHXJBOSA-N 1 3 374.573 3.114 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418211835 500249649 /nfs/dbraw/zinc/24/96/49/500249649.db2.gz IUXVECJSJYYKFQ-IHPCNDPISA-N 1 3 360.546 3.059 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000418317790 500261368 /nfs/dbraw/zinc/26/13/68/500261368.db2.gz BCXFPYDJLBEMDZ-NQIIRXRSSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317790 500261371 /nfs/dbraw/zinc/26/13/71/500261371.db2.gz BCXFPYDJLBEMDZ-NQIIRXRSSA-N 1 3 372.557 3.183 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418357099 500268296 /nfs/dbraw/zinc/26/82/96/500268296.db2.gz QMQWUCMSOPTWMU-FOIQADDNSA-N 1 3 354.498 3.329 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418405595 500272997 /nfs/dbraw/zinc/27/29/97/500272997.db2.gz BJJBEHLWGJLMKJ-OAQYLSRUSA-N 1 3 368.525 3.240 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1)CC(C)C ZINC000418426054 500274858 /nfs/dbraw/zinc/27/48/58/500274858.db2.gz JEBNXMZHGKQUTN-OAQYLSRUSA-N 1 3 374.573 3.476 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1)CC(C)C ZINC000418426054 500274862 /nfs/dbraw/zinc/27/48/62/500274862.db2.gz JEBNXMZHGKQUTN-OAQYLSRUSA-N 1 3 374.573 3.476 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000418485315 500282072 /nfs/dbraw/zinc/28/20/72/500282072.db2.gz GXMPDEXKZXIABU-AUUYWEPGSA-N 1 3 374.916 3.462 20 0 FGADHO C[C@H](CC[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418519285 500287316 /nfs/dbraw/zinc/28/73/16/500287316.db2.gz GGTDJANHPVXFKH-XLIONFOSSA-N 1 3 372.557 3.056 20 0 FGADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422714060 500288619 /nfs/dbraw/zinc/28/86/19/500288619.db2.gz QNVJUEXPQHSYRE-KCZVDYSFSA-N 1 3 369.484 3.274 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717805 500289651 /nfs/dbraw/zinc/28/96/51/500289651.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 1 3 352.526 3.064 20 0 FGADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717805 500289653 /nfs/dbraw/zinc/28/96/53/500289653.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 1 3 352.526 3.064 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723383 500290242 /nfs/dbraw/zinc/29/02/42/500290242.db2.gz REUYCOVVUCVAFL-KSFYIVLOSA-N 1 3 373.491 3.477 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723383 500290244 /nfs/dbraw/zinc/29/02/44/500290244.db2.gz REUYCOVVUCVAFL-KSFYIVLOSA-N 1 3 373.491 3.477 20 0 FGADHO CSc1nnc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)n1CC(C)C ZINC000422725981 500290864 /nfs/dbraw/zinc/29/08/64/500290864.db2.gz CWYNTAVMMQYAKV-IAGOWNOFSA-N 1 3 359.543 3.323 20 0 FGADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422760143 500294338 /nfs/dbraw/zinc/29/43/38/500294338.db2.gz GESGNLXGBJBWCI-FFZOFVMBSA-N 1 3 370.493 3.116 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418612765 500296645 /nfs/dbraw/zinc/29/66/45/500296645.db2.gz VYJGGFNEHVTSCS-HMXCVIKNSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(F)cc1 ZINC000422778767 500296747 /nfs/dbraw/zinc/29/67/47/500296747.db2.gz AXPMQSNJOGPAFA-MFMILTCTSA-N 1 3 356.441 3.439 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786074 500297747 /nfs/dbraw/zinc/29/77/47/500297747.db2.gz OERUJCPKGPDERA-XKQJLSEDSA-N 1 3 356.432 3.469 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422786074 500297750 /nfs/dbraw/zinc/29/77/50/500297750.db2.gz OERUJCPKGPDERA-XKQJLSEDSA-N 1 3 356.432 3.469 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422826951 500302460 /nfs/dbraw/zinc/30/24/60/500302460.db2.gz RRBLLRBVHHOEQH-DZGCQCFKSA-N 1 3 353.894 3.093 20 0 FGADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422826951 500302463 /nfs/dbraw/zinc/30/24/63/500302463.db2.gz RRBLLRBVHHOEQH-DZGCQCFKSA-N 1 3 353.894 3.093 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418664240 500304224 /nfs/dbraw/zinc/30/42/24/500304224.db2.gz IOCANGPEFPBGKK-IYARVYRRSA-N 1 3 360.546 3.045 20 0 FGADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418681751 500307066 /nfs/dbraw/zinc/30/70/66/500307066.db2.gz ZCAUIYZNKITSME-HBFSDRIKSA-N 1 3 360.546 3.371 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC[NH2+]CC1 ZINC000422864212 500307315 /nfs/dbraw/zinc/30/73/15/500307315.db2.gz UPTQLAHPDUQWEF-UONOGXRCSA-N 1 3 367.559 3.413 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000422896030 500312385 /nfs/dbraw/zinc/31/23/85/500312385.db2.gz XGPYOSFRUDROOK-UHFFFAOYSA-N 1 3 357.542 3.137 20 0 FGADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000573407243 506188745 /nfs/dbraw/zinc/18/87/45/506188745.db2.gz INORBAOQJZKIEN-SIKLNZKXSA-N 1 3 370.585 3.276 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nc(-c2ccncc2)cs1 ZINC000422907979 500314837 /nfs/dbraw/zinc/31/48/37/500314837.db2.gz CNRDFWUFDBSMAM-MAUKXSAKSA-N 1 3 352.507 3.296 20 0 FGADHO Clc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422937746 500320062 /nfs/dbraw/zinc/32/00/62/500320062.db2.gz OOIDXBYUHZZLFV-CEXWTWQISA-N 1 3 352.906 3.246 20 0 FGADHO Brc1cccc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422962578 500324503 /nfs/dbraw/zinc/32/45/03/500324503.db2.gz GFBLPGGRUZZMON-GVDBMIGSSA-N 1 3 352.320 3.371 20 0 FGADHO Brc1cccc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422962576 500324658 /nfs/dbraw/zinc/32/46/58/500324658.db2.gz GFBLPGGRUZZMON-BBWFWOEESA-N 1 3 352.320 3.371 20 0 FGADHO CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431022932 500324796 /nfs/dbraw/zinc/32/47/96/500324796.db2.gz PLIKGLHQUUAASJ-GOSISDBHSA-N 1 3 357.542 3.138 20 0 FGADHO COc1ccc(COCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422986722 500327408 /nfs/dbraw/zinc/32/74/08/500327408.db2.gz HEPXKKYAPXLAID-RBBKRZOGSA-N 1 3 368.477 3.057 20 0 FGADHO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423027255 500332770 /nfs/dbraw/zinc/33/27/70/500332770.db2.gz REKNKTZRXILZDV-GJZGRUSLSA-N 1 3 357.498 3.395 20 0 FGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCCCC[C@H]3[NH3+])nc12 ZINC000423036473 500333587 /nfs/dbraw/zinc/33/35/87/500333587.db2.gz LDDUMHZQKVKESC-HZPDHXFCSA-N 1 3 365.319 3.197 20 0 FGADHO COc1cc(Br)ccc1CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423039016 500333913 /nfs/dbraw/zinc/33/39/13/500333913.db2.gz ZSUNXZQEKJCWOO-XYPWUTKMSA-N 1 3 353.304 3.263 20 0 FGADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000423046882 500335004 /nfs/dbraw/zinc/33/50/04/500335004.db2.gz FHKDUAYEYZQJSV-YESZJQIVSA-N 1 3 371.447 3.466 20 0 FGADHO C[C@H](CCC[NH3+])N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000423099357 500341966 /nfs/dbraw/zinc/34/19/66/500341966.db2.gz TXOVNJBBLDNXKP-RNCFNFMXSA-N 1 3 369.225 3.218 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000423112954 500344102 /nfs/dbraw/zinc/34/41/02/500344102.db2.gz SYNSPIBYKWKORW-ARFHVFGLSA-N 1 3 363.468 3.220 20 0 FGADHO Fc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423192568 500354347 /nfs/dbraw/zinc/35/43/47/500354347.db2.gz WAAFLJNZMZGPPC-FQEVSTJZSA-N 1 3 361.892 3.453 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422337 506191387 /nfs/dbraw/zinc/19/13/87/506191387.db2.gz ALDFXDLYNWCODI-FQEVSTJZSA-N 1 3 366.509 3.302 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000423355591 500366836 /nfs/dbraw/zinc/36/68/36/500366836.db2.gz IIRDCBFCRVWNKM-OAHLLOKOSA-N 1 3 357.523 3.410 20 0 FGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394847 500370492 /nfs/dbraw/zinc/37/04/92/500370492.db2.gz SEOLIHNTZULZFY-LRDDRELGSA-N 1 3 357.445 3.388 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396091 500370527 /nfs/dbraw/zinc/37/05/27/500370527.db2.gz RGXDUJVUONNUIN-CBQOVEMMSA-N 1 3 357.542 3.121 20 0 FGADHO CC1CCN([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000427311422 500379936 /nfs/dbraw/zinc/37/99/36/500379936.db2.gz AVZCEMYZAMYJKX-ZWKOTPCHSA-N 1 3 363.571 3.417 20 0 FGADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423517822 500380982 /nfs/dbraw/zinc/38/09/82/500380982.db2.gz BZAHUYJBTVEQSL-TUSCSMAOSA-N 1 3 369.553 3.169 20 0 FGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423515209 500381310 /nfs/dbraw/zinc/38/13/10/500381310.db2.gz XDKOXUGESOEQRR-HNAYVOBHSA-N 1 3 361.511 3.189 20 0 FGADHO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423527226 500382160 /nfs/dbraw/zinc/38/21/60/500382160.db2.gz MBGNUNQXNHFNLZ-FFZOFVMBSA-N 1 3 354.494 3.288 20 0 FGADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579941 500387034 /nfs/dbraw/zinc/38/70/34/500387034.db2.gz XBOYRCHWAOAUEU-INIZCTEOSA-N 1 3 358.917 3.379 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431585331 500395010 /nfs/dbraw/zinc/39/50/10/500395010.db2.gz FIPJKSXIKFUXKH-UHFFFAOYSA-N 1 3 363.550 3.299 20 0 FGADHO C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000423741210 500398053 /nfs/dbraw/zinc/39/80/53/500398053.db2.gz HGHPSVJOUSRESU-FPOVZHCZSA-N 1 3 359.558 3.035 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000431623670 500400001 /nfs/dbraw/zinc/40/00/01/500400001.db2.gz SVPZPYNWUMEVKQ-UHFFFAOYSA-N 1 3 374.573 3.176 20 0 FGADHO CCN(Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000423987442 500430791 /nfs/dbraw/zinc/43/07/91/500430791.db2.gz YSORZZPARNOBFA-FCHUYYIVSA-N 1 3 363.505 3.156 20 0 FGADHO C[C@@](C[NH3+])(NCCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297658 500435667 /nfs/dbraw/zinc/43/56/67/500435667.db2.gz ZAFLUTSPAUNGGQ-UXHICEINSA-N 1 3 357.523 3.061 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373716 500449808 /nfs/dbraw/zinc/44/98/08/500449808.db2.gz MXYKRJNDFRPDFU-RTBURBONSA-N 1 3 364.493 3.252 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373716 500449811 /nfs/dbraw/zinc/44/98/11/500449811.db2.gz MXYKRJNDFRPDFU-RTBURBONSA-N 1 3 364.493 3.252 20 0 FGADHO C[C@@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400152 500455502 /nfs/dbraw/zinc/45/55/02/500455502.db2.gz IJEATHPHJPYQKL-NQIIRXRSSA-N 1 3 365.521 3.199 20 0 FGADHO Cc1cc(F)c(CNCC2(N3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000424145119 500459851 /nfs/dbraw/zinc/45/98/51/500459851.db2.gz MVAOZVHXYCFTMA-UHFFFAOYSA-N 1 3 351.485 3.313 20 0 FGADHO Cc1cc(F)c(CNCC2([NH+]3CCCCC3)CCN(C)CC2)c(F)c1 ZINC000424145119 500459852 /nfs/dbraw/zinc/45/98/52/500459852.db2.gz MVAOZVHXYCFTMA-UHFFFAOYSA-N 1 3 351.485 3.313 20 0 FGADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295863 500483562 /nfs/dbraw/zinc/48/35/62/500483562.db2.gz RLJSHSCQSBWAFG-ROUUACIJSA-N 1 3 369.553 3.207 20 0 FGADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302401 500483696 /nfs/dbraw/zinc/48/36/96/500483696.db2.gz ZJXNTOCTCXAUKB-IAGOWNOFSA-N 1 3 369.509 3.416 20 0 FGADHO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428235385 500484460 /nfs/dbraw/zinc/48/44/60/500484460.db2.gz CNIUTZCTRAUMIF-BHDDXSALSA-N 1 3 369.553 3.279 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580079 506199371 /nfs/dbraw/zinc/19/93/71/506199371.db2.gz LKFBKWYBYQIZPL-GCJKJVERSA-N 1 3 365.521 3.356 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792143 500502401 /nfs/dbraw/zinc/50/24/01/500502401.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792143 500502404 /nfs/dbraw/zinc/50/24/04/500502404.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 1 3 372.557 3.154 20 0 FGADHO COc1cc(Br)ccc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432350907 500502739 /nfs/dbraw/zinc/50/27/39/500502739.db2.gz GNAJZGUKORKYHG-CQSZACIVSA-N 1 3 371.319 3.048 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N(C)CC2CCN(c3ccncc3)CC2)c1 ZINC000424427535 500503045 /nfs/dbraw/zinc/50/30/45/500503045.db2.gz PWBMCMRDPUBNSD-UHFFFAOYSA-N 1 3 367.497 3.229 20 0 FGADHO C[C@@H]1CN(CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357554 500504338 /nfs/dbraw/zinc/50/43/38/500504338.db2.gz LZOFTAXFENQXHI-QGZVFWFLSA-N 1 3 362.514 3.232 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000424435576 500505357 /nfs/dbraw/zinc/50/53/57/500505357.db2.gz JARITJLPBBFKRX-UHFFFAOYSA-N 1 3 366.509 3.412 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625772 500605327 /nfs/dbraw/zinc/60/53/27/500605327.db2.gz OXOCPLRBKYUSDW-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625772 500605331 /nfs/dbraw/zinc/60/53/31/500605331.db2.gz OXOCPLRBKYUSDW-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442788913 500626332 /nfs/dbraw/zinc/62/63/32/500626332.db2.gz GDNIQXXRWKVYBZ-RDJZCZTQSA-N 1 3 356.432 3.388 20 0 FGADHO C[C@H](NCc1cccc(N2CCC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000442815837 500630135 /nfs/dbraw/zinc/63/01/35/500630135.db2.gz WPHYMQAHYBLXKA-KRWDZBQOSA-N 1 3 367.493 3.215 20 0 FGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864658 500636128 /nfs/dbraw/zinc/63/61/28/500636128.db2.gz DHCKWAZZGWQAAC-KRWDZBQOSA-N 1 3 351.922 3.169 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433313862 500670183 /nfs/dbraw/zinc/67/01/83/500670183.db2.gz SEUNQOHDVBNPEI-NRFANRHFSA-N 1 3 353.510 3.270 20 0 FGADHO [NH3+]CC[C@H]1CCCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064946 500672572 /nfs/dbraw/zinc/67/25/72/500672572.db2.gz ZCJTZXWZRQBSIT-IFMALSPDSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079435 500676073 /nfs/dbraw/zinc/67/60/73/500676073.db2.gz ZMWRCDKEIHYBCM-QWHCGFSZSA-N 1 3 358.313 3.231 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000433575475 500715368 /nfs/dbraw/zinc/71/53/68/500715368.db2.gz NFRXCZCPZQUALR-OAQYLSRUSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](C1CC1)N(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000443591511 500742808 /nfs/dbraw/zinc/74/28/08/500742808.db2.gz JPRQMHCSDJNCEB-SFHVURJKSA-N 1 3 361.574 3.364 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000438145594 500745054 /nfs/dbraw/zinc/74/50/54/500745054.db2.gz NMYXSYSALBNBOX-UXHICEINSA-N 1 3 362.562 3.053 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000438145594 500745056 /nfs/dbraw/zinc/74/50/56/500745056.db2.gz NMYXSYSALBNBOX-UXHICEINSA-N 1 3 362.562 3.053 20 0 FGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000443639629 500748117 /nfs/dbraw/zinc/74/81/17/500748117.db2.gz GVEIIALLUFNWCR-VQIMIIECSA-N 1 3 369.475 3.472 20 0 FGADHO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000434673560 500877439 /nfs/dbraw/zinc/87/74/39/500877439.db2.gz QWJZBDKEDQMESD-ZWKOTPCHSA-N 1 3 351.494 3.141 20 0 FGADHO CN(C)CC1(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC000439356190 500888587 /nfs/dbraw/zinc/88/85/87/500888587.db2.gz KPHNQXAZRHDYEQ-UHFFFAOYSA-N 1 3 358.530 3.321 20 0 FGADHO COc1ccc(Cn2nc(C)c(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2C)cc1 ZINC000435385443 500965151 /nfs/dbraw/zinc/96/51/51/500965151.db2.gz QBZKQTJJEGJGDR-YUXAGFNASA-N 1 3 368.525 3.116 20 0 FGADHO CCN(CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614946 501002420 /nfs/dbraw/zinc/00/24/20/501002420.db2.gz NZRFUIQPXGOXIQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCNCC1 ZINC000435614946 501002422 /nfs/dbraw/zinc/00/24/22/501002422.db2.gz NZRFUIQPXGOXIQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCNCC1 ZINC000435614946 501002427 /nfs/dbraw/zinc/00/24/27/501002427.db2.gz NZRFUIQPXGOXIQ-MRXNPFEDSA-N 1 3 368.319 3.242 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486446 501014859 /nfs/dbraw/zinc/01/48/59/501014859.db2.gz SHXLWVOEAPUOTO-QZTJIDSGSA-N 1 3 362.514 3.252 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486446 501014862 /nfs/dbraw/zinc/01/48/62/501014862.db2.gz SHXLWVOEAPUOTO-QZTJIDSGSA-N 1 3 362.514 3.252 20 0 FGADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266012 501096577 /nfs/dbraw/zinc/09/65/77/501096577.db2.gz SXAXUZIXMYPJEG-WOIUINJBSA-N 1 3 371.525 3.144 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1(C)C ZINC000441333687 501121817 /nfs/dbraw/zinc/12/18/17/501121817.db2.gz MHQYRNSGSWXXOF-UHFFFAOYSA-N 1 3 363.855 3.474 20 0 FGADHO O=C(CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)N1CCCCC1 ZINC000453062417 501261128 /nfs/dbraw/zinc/26/11/28/501261128.db2.gz MMKQGDUAMWKQBS-BDTNDASRSA-N 1 3 369.553 3.422 20 0 FGADHO O=C(CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)N1CCCCC1 ZINC000453062417 501261130 /nfs/dbraw/zinc/26/11/30/501261130.db2.gz MMKQGDUAMWKQBS-BDTNDASRSA-N 1 3 369.553 3.422 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076663 501263900 /nfs/dbraw/zinc/26/39/00/501263900.db2.gz JLUFASMJOVXYRX-LJQANCHMSA-N 1 3 369.557 3.155 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482286 506247516 /nfs/dbraw/zinc/24/75/16/506247516.db2.gz YXHDESLHEXQSRM-COPCDDAFSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482286 506247524 /nfs/dbraw/zinc/24/75/24/506247524.db2.gz YXHDESLHEXQSRM-COPCDDAFSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000582482289 506248249 /nfs/dbraw/zinc/24/82/49/506248249.db2.gz YXHDESLHEXQSRM-STZQEDGTSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482289 506248259 /nfs/dbraw/zinc/24/82/59/506248259.db2.gz YXHDESLHEXQSRM-STZQEDGTSA-N 1 3 368.521 3.226 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1 ZINC000458381088 501431730 /nfs/dbraw/zinc/43/17/30/501431730.db2.gz VOPCQUPYLKDMNN-XMSQKQJNSA-N 1 3 372.557 3.243 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000452161003 501448943 /nfs/dbraw/zinc/44/89/43/501448943.db2.gz FCPUDVQHVWUZBU-QZTJIDSGSA-N 1 3 351.560 3.294 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458815210 501536946 /nfs/dbraw/zinc/53/69/46/501536946.db2.gz QSMPFAXDTTVLJT-YJBOKZPZSA-N 1 3 366.575 3.039 20 0 FGADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458815210 501536947 /nfs/dbraw/zinc/53/69/47/501536947.db2.gz QSMPFAXDTTVLJT-YJBOKZPZSA-N 1 3 366.575 3.039 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000458971462 501568526 /nfs/dbraw/zinc/56/85/26/501568526.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000458971462 501568527 /nfs/dbraw/zinc/56/85/27/501568527.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680689 501608061 /nfs/dbraw/zinc/60/80/61/501608061.db2.gz ZDSJNNLEZFRWKL-OALUTQOASA-N 1 3 374.573 3.126 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000459260882 501620897 /nfs/dbraw/zinc/62/08/97/501620897.db2.gz KSVVNTBRXNUHFE-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000459260882 501620899 /nfs/dbraw/zinc/62/08/99/501620899.db2.gz KSVVNTBRXNUHFE-HXUWFJFHSA-N 1 3 372.557 3.024 20 0 FGADHO CCOc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329957 501632026 /nfs/dbraw/zinc/63/20/26/501632026.db2.gz RYMJXRBBLGPZPN-CALCHBBNSA-N 1 3 362.514 3.112 20 0 FGADHO CCOc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329957 501632027 /nfs/dbraw/zinc/63/20/27/501632027.db2.gz RYMJXRBBLGPZPN-CALCHBBNSA-N 1 3 362.514 3.112 20 0 FGADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)[C@H]1SC ZINC000459393537 501645476 /nfs/dbraw/zinc/64/54/76/501645476.db2.gz VWKRZFLBUQUJMX-KZNAEPCWSA-N 1 3 354.585 3.459 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC(C)(c3ccccc3)C2)c1 ZINC000459397453 501646576 /nfs/dbraw/zinc/64/65/76/501646576.db2.gz DSFBFIQKDZOONF-UHFFFAOYSA-N 1 3 365.521 3.188 20 0 FGADHO C[N@H+](CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663779 /nfs/dbraw/zinc/66/37/79/501663779.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO C[N@@H+](CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663780 /nfs/dbraw/zinc/66/37/80/501663780.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 1 3 361.505 3.028 20 0 FGADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459515915 501667888 /nfs/dbraw/zinc/66/78/88/501667888.db2.gz DCHJPRDZBXWBAH-DYESRHJHSA-N 1 3 367.493 3.060 20 0 FGADHO CSC1(CNCc2c(C)nc3scc(C4CC4)n23)CC[NH+](C)CC1 ZINC000459561246 501677234 /nfs/dbraw/zinc/67/72/34/501677234.db2.gz LCMYHERVIHOUEI-UHFFFAOYSA-N 1 3 364.584 3.499 20 0 FGADHO CSC1(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CCN(C)CC1 ZINC000459561246 501677235 /nfs/dbraw/zinc/67/72/35/501677235.db2.gz LCMYHERVIHOUEI-UHFFFAOYSA-N 1 3 364.584 3.499 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000467337677 501773659 /nfs/dbraw/zinc/77/36/59/501773659.db2.gz FDEHTJVUUHBYCP-KHYOSLBOSA-N 1 3 350.478 3.301 20 0 FGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000467344229 501774020 /nfs/dbraw/zinc/77/40/20/501774020.db2.gz AVYXMVPRPOJUAR-MRXNPFEDSA-N 1 3 357.464 3.254 20 0 FGADHO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343619 501798311 /nfs/dbraw/zinc/79/83/11/501798311.db2.gz PJNGWPVNBMVOCJ-YRPNKDGESA-N 1 3 371.569 3.237 20 0 FGADHO CN(CCC[NH+]1CCCC1)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000467511333 501811718 /nfs/dbraw/zinc/81/17/18/501811718.db2.gz CPDVDWKWXNWFOY-UHFFFAOYSA-N 1 3 358.574 3.135 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903548 501824901 /nfs/dbraw/zinc/82/49/01/501824901.db2.gz CWTNMKFHTOGSMJ-WIYYLYMNSA-N 1 3 372.557 3.069 20 0 FGADHO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCCC1 ZINC000485478137 501831664 /nfs/dbraw/zinc/83/16/64/501831664.db2.gz SRWNDDCPBSQIFZ-UHFFFAOYSA-N 1 3 369.553 3.377 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478015646 501853799 /nfs/dbraw/zinc/85/37/99/501853799.db2.gz KGYGWGUVVRHUBU-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000485747587 501923472 /nfs/dbraw/zinc/92/34/72/501923472.db2.gz AJVSLMKKLFMTGI-UHFFFAOYSA-N 1 3 365.521 3.315 20 0 FGADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942241 501924685 /nfs/dbraw/zinc/92/46/85/501924685.db2.gz BZTPHCUMXJNNKE-HZPDHXFCSA-N 1 3 352.544 3.394 20 0 FGADHO CC(C)C[C@H](CNC(=O)NC1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024329 501933824 /nfs/dbraw/zinc/93/38/24/501933824.db2.gz KQNMIZNSGWDBLO-FXAWDEMLSA-N 1 3 360.546 3.145 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038273 501954378 /nfs/dbraw/zinc/95/43/78/501954378.db2.gz YMOCIQRWXXABOT-SIKLNZKXSA-N 1 3 370.541 3.141 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038273 501954385 /nfs/dbraw/zinc/95/43/85/501954385.db2.gz YMOCIQRWXXABOT-SIKLNZKXSA-N 1 3 370.541 3.141 20 0 FGADHO CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)s1 ZINC000482112662 501978683 /nfs/dbraw/zinc/97/86/83/501978683.db2.gz VTDCSLMIKXGIGA-INIZCTEOSA-N 1 3 373.570 3.272 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093619 502054624 /nfs/dbraw/zinc/05/46/24/502054624.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475093619 502054631 /nfs/dbraw/zinc/05/46/31/502054631.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400695 502097091 /nfs/dbraw/zinc/09/70/91/502097091.db2.gz LFTZUPJPRVFSSR-LJQANCHMSA-N 1 3 351.579 3.467 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400695 502097096 /nfs/dbraw/zinc/09/70/96/502097096.db2.gz LFTZUPJPRVFSSR-LJQANCHMSA-N 1 3 351.579 3.467 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000468544297 502100132 /nfs/dbraw/zinc/10/01/32/502100132.db2.gz VQNSWDVMBVFCJH-FQEVSTJZSA-N 1 3 360.546 3.024 20 0 FGADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475302333 502125569 /nfs/dbraw/zinc/12/55/69/502125569.db2.gz FLIGQNDJLGHEIH-NRFANRHFSA-N 1 3 351.494 3.095 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881102 502136322 /nfs/dbraw/zinc/13/63/22/502136322.db2.gz QTZRLDIFUTURTN-RTWAWAEBSA-N 1 3 357.542 3.163 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671339 502147140 /nfs/dbraw/zinc/14/71/40/502147140.db2.gz MSFOAOKOLXNPPD-NRFANRHFSA-N 1 3 372.557 3.072 20 0 FGADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671340 502147323 /nfs/dbraw/zinc/14/73/23/502147323.db2.gz MSFOAOKOLXNPPD-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](CN)c1ccc(F)cc1)c1ccccc1 ZINC000479221152 502195943 /nfs/dbraw/zinc/19/59/43/502195943.db2.gz IJCCWCVRRVGMDQ-KXBFYZLASA-N 1 3 357.473 3.114 20 0 FGADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546692 502210090 /nfs/dbraw/zinc/21/00/90/502210090.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546692 502210094 /nfs/dbraw/zinc/21/00/94/502210094.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000465198523 502211655 /nfs/dbraw/zinc/21/16/55/502211655.db2.gz UBBQPCNJNRZJRK-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000465198523 502211660 /nfs/dbraw/zinc/21/16/60/502211660.db2.gz UBBQPCNJNRZJRK-FQEVSTJZSA-N 1 3 357.542 3.380 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000468890262 502219318 /nfs/dbraw/zinc/21/93/18/502219318.db2.gz HRIVQJZFJIWHCW-NRFANRHFSA-N 1 3 360.546 3.024 20 0 FGADHO CC[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232990 502279765 /nfs/dbraw/zinc/27/97/65/502279765.db2.gz WCXORWOSEUPGCQ-AVRDEDQJSA-N 1 3 369.553 3.245 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000465553273 502305819 /nfs/dbraw/zinc/30/58/19/502305819.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCN1C ZINC000465553273 502305821 /nfs/dbraw/zinc/30/58/21/502305821.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 1 3 372.557 3.343 20 0 FGADHO COCCN1CCC([NH2+]Cc2ccccc2CN(C)Cc2ccco2)CC1 ZINC000462112852 502312265 /nfs/dbraw/zinc/31/22/65/502312265.db2.gz UKZYQQYJFVIDLF-UHFFFAOYSA-N 1 3 371.525 3.112 20 0 FGADHO CCOc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1F ZINC000486968112 502319317 /nfs/dbraw/zinc/31/93/17/502319317.db2.gz MDHLFUWYUQBMMN-UHFFFAOYSA-N 1 3 371.500 3.262 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479645361 502330045 /nfs/dbraw/zinc/33/00/45/502330045.db2.gz IIGCMOIPTQJLIT-HXUWFJFHSA-N 1 3 366.594 3.406 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479645361 502330053 /nfs/dbraw/zinc/33/00/53/502330053.db2.gz IIGCMOIPTQJLIT-HXUWFJFHSA-N 1 3 366.594 3.406 20 0 FGADHO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000479807769 502383606 /nfs/dbraw/zinc/38/36/06/502383606.db2.gz BFPHPXWAAIQUJD-CTNGQTDRSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)C[C@H](C)O1 ZINC000472566585 502386367 /nfs/dbraw/zinc/38/63/67/502386367.db2.gz CYYUSYMJIPJJJV-ZVDOUQERSA-N 1 3 351.579 3.072 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465846401 502401519 /nfs/dbraw/zinc/40/15/19/502401519.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465846401 502401523 /nfs/dbraw/zinc/40/15/23/502401523.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435555 502416221 /nfs/dbraw/zinc/41/62/21/502416221.db2.gz CWZJDGCRGMLPAB-LEWJYISDSA-N 1 3 374.573 3.174 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000469435555 502416223 /nfs/dbraw/zinc/41/62/23/502416223.db2.gz CWZJDGCRGMLPAB-LEWJYISDSA-N 1 3 374.573 3.174 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953367 502439096 /nfs/dbraw/zinc/43/90/96/502439096.db2.gz ADUGBGYKXUIIEX-TZIWHRDSSA-N 1 3 374.573 3.156 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953367 502439102 /nfs/dbraw/zinc/43/91/02/502439102.db2.gz ADUGBGYKXUIIEX-TZIWHRDSSA-N 1 3 374.573 3.156 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000466121232 502482741 /nfs/dbraw/zinc/48/27/41/502482741.db2.gz UYFCCFIAKNUSMB-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000480273265 502521575 /nfs/dbraw/zinc/52/15/75/502521575.db2.gz GSTHJDOKHGPSNV-HXUWFJFHSA-N 1 3 363.571 3.086 20 0 FGADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000480273265 502521579 /nfs/dbraw/zinc/52/15/79/502521579.db2.gz GSTHJDOKHGPSNV-HXUWFJFHSA-N 1 3 363.571 3.086 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000473184584 502538336 /nfs/dbraw/zinc/53/83/36/502538336.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000473184584 502538338 /nfs/dbraw/zinc/53/83/38/502538338.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 1 3 360.546 3.024 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547615 /nfs/dbraw/zinc/54/76/15/502547615.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547619 /nfs/dbraw/zinc/54/76/19/502547619.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894081 502558911 /nfs/dbraw/zinc/55/89/11/502558911.db2.gz HOIJKVKNYJRVDH-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894081 502558915 /nfs/dbraw/zinc/55/89/15/502558915.db2.gz HOIJKVKNYJRVDH-SFHLNBCPSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000473323885 502565783 /nfs/dbraw/zinc/56/57/83/502565783.db2.gz HLJQNHFSAGKPPM-NRFANRHFSA-N 1 3 372.557 3.324 20 0 FGADHO CC[NH+]1CCN(Cc2ccc(CNCc3cc(F)ccc3OC)cc2)CC1 ZINC000462786632 502572806 /nfs/dbraw/zinc/57/28/06/502572806.db2.gz ZKCXOEJQQGOZFY-UHFFFAOYSA-N 1 3 371.500 3.262 20 0 FGADHO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484138493 502580208 /nfs/dbraw/zinc/58/02/08/502580208.db2.gz TUQHLISOTYIFOM-KRWDZBQOSA-N 1 3 354.922 3.482 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496760 502610507 /nfs/dbraw/zinc/61/05/07/502610507.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 1 3 369.553 3.376 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496760 502610512 /nfs/dbraw/zinc/61/05/12/502610512.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[N@H+](C)Cc1ccccc1 ZINC000469960978 502610826 /nfs/dbraw/zinc/61/08/26/502610826.db2.gz DGJYNECZIDLJSW-SFHVURJKSA-N 1 3 374.488 3.497 20 0 FGADHO C[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000469960978 502610833 /nfs/dbraw/zinc/61/08/33/502610833.db2.gz DGJYNECZIDLJSW-SFHVURJKSA-N 1 3 374.488 3.497 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968196 502612369 /nfs/dbraw/zinc/61/23/69/502612369.db2.gz YAGKEKDQACLYTM-IBGZPJMESA-N 1 3 362.514 3.264 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccc(OCCO)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463115229 502699973 /nfs/dbraw/zinc/69/99/73/502699973.db2.gz XEINZEXEAUJLCV-WIYYLYMNSA-N 1 3 354.494 3.200 20 0 FGADHO C[C@@H]1C[C@H](NCc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115229 502699983 /nfs/dbraw/zinc/69/99/83/502699983.db2.gz XEINZEXEAUJLCV-WIYYLYMNSA-N 1 3 354.494 3.200 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914400 502703142 /nfs/dbraw/zinc/70/31/42/502703142.db2.gz VMENRUUGWCHHAF-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914400 502703146 /nfs/dbraw/zinc/70/31/46/502703146.db2.gz VMENRUUGWCHHAF-SIKLNZKXSA-N 1 3 365.521 3.225 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293481 502727144 /nfs/dbraw/zinc/72/71/44/502727144.db2.gz RAMWGLQZFWBMGX-OAQYLSRUSA-N 1 3 374.573 3.126 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@@H+]1Cc1ccccc1 ZINC000470352615 502746350 /nfs/dbraw/zinc/74/63/50/502746350.db2.gz GOXMRBRFMOCVMZ-HTAPYJJXSA-N 1 3 363.505 3.415 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)CNC3)CC[N@H+]1Cc1ccccc1 ZINC000470352615 502746356 /nfs/dbraw/zinc/74/63/56/502746356.db2.gz GOXMRBRFMOCVMZ-HTAPYJJXSA-N 1 3 363.505 3.415 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000473970137 502766194 /nfs/dbraw/zinc/76/61/94/502766194.db2.gz ONPDIPPKLUQMAA-CBNMVNINSA-N 1 3 372.557 3.168 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000481180066 502775076 /nfs/dbraw/zinc/77/50/76/502775076.db2.gz LDGHFWAHECAAQZ-LQBOVUBWSA-N 1 3 371.569 3.490 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974583 502791100 /nfs/dbraw/zinc/79/11/00/502791100.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974583 502791105 /nfs/dbraw/zinc/79/11/05/502791105.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 1 3 372.557 3.071 20 0 FGADHO O=C(CN[C@@H](CC1CCC1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000481253251 502797446 /nfs/dbraw/zinc/79/74/46/502797446.db2.gz HPPXRXJORQPGRP-NRFANRHFSA-N 1 3 355.526 3.251 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154934 502834940 /nfs/dbraw/zinc/83/49/40/502834940.db2.gz PEHXNPUWTOLXPS-ZBFHGGJFSA-N 1 3 370.440 3.235 20 0 FGADHO C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070145 502844354 /nfs/dbraw/zinc/84/43/54/502844354.db2.gz OJYDOEBUVKAGCA-NJDAHSKKSA-N 1 3 371.569 3.415 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500823338 502871104 /nfs/dbraw/zinc/87/11/04/502871104.db2.gz AHIOIELRCWCHDR-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500823338 502871107 /nfs/dbraw/zinc/87/11/07/502871107.db2.gz AHIOIELRCWCHDR-NHCUHLMSSA-N 1 3 372.557 3.387 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000500840856 502875164 /nfs/dbraw/zinc/87/51/64/502875164.db2.gz VLSDROHAORWXPK-VAMGGRTRSA-N 1 3 366.594 3.308 20 0 FGADHO COc1c(C)cnc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1C ZINC000501036767 502917805 /nfs/dbraw/zinc/91/78/05/502917805.db2.gz YVCUADJPRWGBGG-UHFFFAOYSA-N 1 3 354.498 3.450 20 0 FGADHO COc1c(C)cnc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1C ZINC000501036767 502917809 /nfs/dbraw/zinc/91/78/09/502917809.db2.gz YVCUADJPRWGBGG-UHFFFAOYSA-N 1 3 354.498 3.450 20 0 FGADHO COC(=O)c1ccc([C@@H](C)[N@H+](C)CC2CCN(c3ccncc3)CC2)o1 ZINC000501045742 502920452 /nfs/dbraw/zinc/92/04/52/502920452.db2.gz KBWCCCIKFCHWMX-OAHLLOKOSA-N 1 3 357.454 3.371 20 0 FGADHO COC(=O)c1ccc([C@@H](C)[N@@H+](C)CC2CCN(c3ccncc3)CC2)o1 ZINC000501045742 502920454 /nfs/dbraw/zinc/92/04/54/502920454.db2.gz KBWCCCIKFCHWMX-OAHLLOKOSA-N 1 3 357.454 3.371 20 0 FGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000501062268 502925640 /nfs/dbraw/zinc/92/56/40/502925640.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000501062268 502925643 /nfs/dbraw/zinc/92/56/43/502925643.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 1 3 360.546 3.071 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccsc1 ZINC000501162391 502952119 /nfs/dbraw/zinc/95/21/19/502952119.db2.gz JSZLHZDQJXQJEH-GOSISDBHSA-N 1 3 366.575 3.306 20 0 FGADHO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000505632720 502954740 /nfs/dbraw/zinc/95/47/40/502954740.db2.gz JEGIVJWPLBRHNG-LAUBAEHRSA-N 1 3 369.509 3.048 20 0 FGADHO CCN(CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973174 /nfs/dbraw/zinc/97/31/74/502973174.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973178 /nfs/dbraw/zinc/97/31/78/502973178.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749465 502978435 /nfs/dbraw/zinc/97/84/35/502978435.db2.gz IXOVOXAKJVVGMX-LJQANCHMSA-N 1 3 362.562 3.174 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749465 502978438 /nfs/dbraw/zinc/97/84/38/502978438.db2.gz IXOVOXAKJVVGMX-LJQANCHMSA-N 1 3 362.562 3.174 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835285 502995838 /nfs/dbraw/zinc/99/58/38/502995838.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 1 3 357.542 3.278 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835285 502995845 /nfs/dbraw/zinc/99/58/45/502995845.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000505875428 503003716 /nfs/dbraw/zinc/00/37/16/503003716.db2.gz WCCAGDDSLZUHQU-ZWKOTPCHSA-N 1 3 351.494 3.141 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000497835317 503050813 /nfs/dbraw/zinc/05/08/13/503050813.db2.gz GCJHNIWJWBSBBE-LZLYRXPVSA-N 1 3 362.518 3.025 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835317 503050818 /nfs/dbraw/zinc/05/08/18/503050818.db2.gz GCJHNIWJWBSBBE-LZLYRXPVSA-N 1 3 362.518 3.025 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000514024880 503071182 /nfs/dbraw/zinc/07/11/82/503071182.db2.gz PMRGZCUMWSFMIT-LJQANCHMSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(C)CC1 ZINC000514028117 503072462 /nfs/dbraw/zinc/07/24/62/503072462.db2.gz AAPOUNJMCQPCEK-IBGZPJMESA-N 1 3 372.557 3.202 20 0 FGADHO CC(C)Oc1ccc([C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964959 503077420 /nfs/dbraw/zinc/07/74/20/503077420.db2.gz NIRIFQWIVZADTG-FUHIMQAGSA-N 1 3 361.530 3.066 20 0 FGADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964959 503077424 /nfs/dbraw/zinc/07/74/24/503077424.db2.gz NIRIFQWIVZADTG-FUHIMQAGSA-N 1 3 361.530 3.066 20 0 FGADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000489964959 503077434 /nfs/dbraw/zinc/07/74/34/503077434.db2.gz NIRIFQWIVZADTG-FUHIMQAGSA-N 1 3 361.530 3.066 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCCC1 ZINC000514083812 503083801 /nfs/dbraw/zinc/08/38/01/503083801.db2.gz MUPQVRQPIXFFNY-KCLUMXDGSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N1CCCC1 ZINC000514083812 503083802 /nfs/dbraw/zinc/08/38/02/503083802.db2.gz MUPQVRQPIXFFNY-KCLUMXDGSA-N 1 3 357.542 3.295 20 0 FGADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N1CCCC1 ZINC000514083812 503083804 /nfs/dbraw/zinc/08/38/04/503083804.db2.gz MUPQVRQPIXFFNY-KCLUMXDGSA-N 1 3 357.542 3.295 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000498106053 503107859 /nfs/dbraw/zinc/10/78/59/503107859.db2.gz FEDYYRNGGRDAER-PXNSSMCTSA-N 1 3 360.546 3.160 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000501921142 503109463 /nfs/dbraw/zinc/10/94/63/503109463.db2.gz VOSDBDAWXFNCHY-IRXDYDNUSA-N 1 3 364.534 3.130 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000501937405 503111396 /nfs/dbraw/zinc/11/13/96/503111396.db2.gz ICDJEOOCLDAGFK-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000514202307 503111483 /nfs/dbraw/zinc/11/14/83/503111483.db2.gz VOHIECDSZYSVRJ-SJORKVTESA-N 1 3 366.575 3.161 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170343 503124049 /nfs/dbraw/zinc/12/40/49/503124049.db2.gz CFRYWQWRMNCYKX-GOSISDBHSA-N 1 3 374.529 3.109 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH+](C)C ZINC000510521248 503132261 /nfs/dbraw/zinc/13/22/61/503132261.db2.gz IAVFAIXFRLRBFZ-UTKZUKDTSA-N 1 3 353.510 3.478 20 0 FGADHO CC[NH+](CC)CC1CCN(Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000506889821 503190466 /nfs/dbraw/zinc/19/04/66/503190466.db2.gz ITGWVCYGZWVDHY-KRWDZBQOSA-N 1 3 362.514 3.181 20 0 FGADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000502402550 503193942 /nfs/dbraw/zinc/19/39/42/503193942.db2.gz YOEZGLOGXOTQSS-UHFFFAOYSA-N 1 3 374.573 3.198 20 0 FGADHO CC(C)(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000507035292 503217782 /nfs/dbraw/zinc/21/77/82/503217782.db2.gz DBUVSHUMHOBRIF-FQEVSTJZSA-N 1 3 361.505 3.246 20 0 FGADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000514976469 503240231 /nfs/dbraw/zinc/24/02/31/503240231.db2.gz BRXRQRMNUNXIMW-RTBURBONSA-N 1 3 354.897 3.379 20 0 FGADHO C[C@@H]1CN(CCOc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491023191 503261892 /nfs/dbraw/zinc/26/18/92/503261892.db2.gz URSZMMCTIZZHTD-AUSIDOKSSA-N 1 3 367.537 3.176 20 0 FGADHO COc1cccc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000507456840 503301744 /nfs/dbraw/zinc/30/17/44/503301744.db2.gz ACZNDDMXBRJIBH-SESVDKBCSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507456840 503301745 /nfs/dbraw/zinc/30/17/45/503301745.db2.gz ACZNDDMXBRJIBH-SESVDKBCSA-N 1 3 351.494 3.133 20 0 FGADHO COc1cccc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507456840 503301747 /nfs/dbraw/zinc/30/17/47/503301747.db2.gz ACZNDDMXBRJIBH-SESVDKBCSA-N 1 3 351.494 3.133 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NCCN2CCCCC2)CCCC1)c1ccccc1 ZINC000502910169 503305708 /nfs/dbraw/zinc/30/57/08/503305708.db2.gz AQZVVMHSNNTDCH-LJQANCHMSA-N 1 3 372.557 3.435 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000502927933 503309004 /nfs/dbraw/zinc/30/90/04/503309004.db2.gz FUSSWFQZWIRURK-GOSISDBHSA-N 1 3 360.546 3.147 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352497 503322522 /nfs/dbraw/zinc/32/25/22/503322522.db2.gz FIJLJRRGCCULDS-HXUWFJFHSA-N 1 3 371.500 3.085 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C[NH+]1CCCC1 ZINC000503038353 503331602 /nfs/dbraw/zinc/33/16/02/503331602.db2.gz KMACFHGLWBKHNO-ROUUACIJSA-N 1 3 360.546 3.147 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000515476795 503346207 /nfs/dbraw/zinc/34/62/07/503346207.db2.gz TZZLVXUTJARGJK-DAYGRLMNSA-N 1 3 350.478 3.301 20 0 FGADHO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000503110769 503349081 /nfs/dbraw/zinc/34/90/81/503349081.db2.gz MMTPOIZMRRHMFN-MJGOQNOKSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820015 503406491 /nfs/dbraw/zinc/40/64/91/503406491.db2.gz BJZNIDZHCKRORB-FPOVZHCZSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900102 503410776 /nfs/dbraw/zinc/41/07/76/503410776.db2.gz DDFAQVOQGMINKC-UXHICEINSA-N 1 3 364.578 3.014 20 0 FGADHO CN(C)Cc1cnc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)s1 ZINC000511913139 503413627 /nfs/dbraw/zinc/41/36/27/503413627.db2.gz ZRFLXYZNMCQLKD-FQEVSTJZSA-N 1 3 358.555 3.349 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247128 503415098 /nfs/dbraw/zinc/41/50/98/503415098.db2.gz KLEFNANLQGSTCG-NMNUPHIUSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247128 503415102 /nfs/dbraw/zinc/41/51/02/503415102.db2.gz KLEFNANLQGSTCG-NMNUPHIUSA-N 1 3 350.506 3.455 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)C ZINC000503533344 503431663 /nfs/dbraw/zinc/43/16/63/503431663.db2.gz RNSRLNDKFFWQLC-LAUBAEHRSA-N 1 3 372.557 3.160 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000493807898 503446781 /nfs/dbraw/zinc/44/67/81/503446781.db2.gz IVDYCCSGWDLVMS-OAQYLSRUSA-N 1 3 374.573 3.129 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000493846822 503450158 /nfs/dbraw/zinc/45/01/58/503450158.db2.gz QDCIQWFJDGCZDO-FQEVSTJZSA-N 1 3 354.494 3.153 20 0 FGADHO C[C@@H]1CCC[C@@](CNC(=O)NCc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000516155373 503457087 /nfs/dbraw/zinc/45/70/87/503457087.db2.gz VTXIFMKZCYBJCA-DYESRHJHSA-N 1 3 360.546 3.058 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)Cc1cccc(Cl)c1 ZINC000516175836 503463192 /nfs/dbraw/zinc/46/31/92/503463192.db2.gz VGAVWLWRLDAKFT-HXUWFJFHSA-N 1 3 359.901 3.145 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000503734191 503466308 /nfs/dbraw/zinc/46/63/08/503466308.db2.gz XHKMZDGWAZGXES-UYAOXDASSA-N 1 3 372.557 3.386 20 0 FGADHO Cc1nc2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)cc2s1 ZINC000494193284 503501819 /nfs/dbraw/zinc/50/18/19/503501819.db2.gz YAYMPMXHWYTVPN-RBUKOAKNSA-N 1 3 359.539 3.462 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000516565575 503538362 /nfs/dbraw/zinc/53/83/62/503538362.db2.gz MGYUWSZIVBIADB-TZIWHRDSSA-N 1 3 374.573 3.491 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582081 503542678 /nfs/dbraw/zinc/54/26/78/503542678.db2.gz QRWFNDIBVGGVRM-SFHLNBCPSA-N 1 3 372.557 3.243 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000516633060 503555702 /nfs/dbraw/zinc/55/57/02/503555702.db2.gz XEQZIAPJXOVREJ-KBXCAEBGSA-N 1 3 356.470 3.176 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCCC[C@H]2C)c1 ZINC000500130020 503561092 /nfs/dbraw/zinc/56/10/92/503561092.db2.gz BYYNJPLLCDFRSM-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508901106 503594405 /nfs/dbraw/zinc/59/44/05/503594405.db2.gz UEWPCOAGWWMEDW-RXVVDRJESA-N 1 3 372.557 3.195 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613470 503595193 /nfs/dbraw/zinc/59/51/93/503595193.db2.gz RUOQMTKDVMHWNU-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613470 503595195 /nfs/dbraw/zinc/59/51/95/503595195.db2.gz RUOQMTKDVMHWNU-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613470 503595196 /nfs/dbraw/zinc/59/51/96/503595196.db2.gz RUOQMTKDVMHWNU-CJRSTVEYSA-N 1 3 364.533 3.480 20 0 FGADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000500393117 503613416 /nfs/dbraw/zinc/61/34/16/503613416.db2.gz LAYZIOTWGUWPDU-NRFANRHFSA-N 1 3 373.541 3.069 20 0 FGADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025129 503646758 /nfs/dbraw/zinc/64/67/58/503646758.db2.gz JEYCXCIWIUASOJ-KNQAVFIVSA-N 1 3 368.521 3.415 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118871 503674627 /nfs/dbraw/zinc/67/46/27/503674627.db2.gz JCBBIVCBZMNFFM-HUUCEWRRSA-N 1 3 371.978 3.380 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118871 503674631 /nfs/dbraw/zinc/67/46/31/503674631.db2.gz JCBBIVCBZMNFFM-HUUCEWRRSA-N 1 3 371.978 3.380 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000540175440 503697403 /nfs/dbraw/zinc/69/74/03/503697403.db2.gz IKCNHYWQMLTHSM-FGZHOGPDSA-N 1 3 365.521 3.404 20 0 FGADHO Cc1ncc(CNCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cn1 ZINC000537021844 503780093 /nfs/dbraw/zinc/78/00/93/503780093.db2.gz PACOLBALHCVOQU-ROUUACIJSA-N 1 3 368.525 3.084 20 0 FGADHO CC1(C(=O)NC[C@H]2CCN2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026345 503799880 /nfs/dbraw/zinc/79/98/80/503799880.db2.gz IMVASQGUMOQHQC-OAQYLSRUSA-N 1 3 369.553 3.422 20 0 FGADHO CN1CCC2(CC1)C[C@H](NCCC[NH+]1CCCCC1)c1ccccc1O2 ZINC000537167890 503824380 /nfs/dbraw/zinc/82/43/80/503824380.db2.gz LAQMULMBQGPYAK-FQEVSTJZSA-N 1 3 357.542 3.440 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCCC1 ZINC000543645186 503840080 /nfs/dbraw/zinc/84/00/80/503840080.db2.gz ZINWNQJSCNBUFC-PXNSSMCTSA-N 1 3 366.594 3.259 20 0 FGADHO CN(CCC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccncc1 ZINC000543715576 503864440 /nfs/dbraw/zinc/86/44/40/503864440.db2.gz XECYWNUQQZNFEY-UHFFFAOYSA-N 1 3 366.509 3.210 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000540747233 503877633 /nfs/dbraw/zinc/87/76/33/503877633.db2.gz MZONEOGFOHOTMO-YOEHRIQHSA-N 1 3 373.463 3.449 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@]12CCCO2 ZINC000546871581 503910696 /nfs/dbraw/zinc/91/06/96/503910696.db2.gz AQDUGCVQOPKHJB-RCOXNQKVSA-N 1 3 362.514 3.004 20 0 FGADHO CSc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000537443789 503916978 /nfs/dbraw/zinc/91/69/78/503916978.db2.gz FSAMHSSEVRVDSF-QAPCUYQASA-N 1 3 351.560 3.152 20 0 FGADHO CN(CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccncc1 ZINC000540929147 503941883 /nfs/dbraw/zinc/94/18/83/503941883.db2.gz DTCDQMDNGXUUSD-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528006542 504036570 /nfs/dbraw/zinc/03/65/70/504036570.db2.gz TVFBGZXETNUDNU-KPLVRAHFSA-N 1 3 363.505 3.314 20 0 FGADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849231 504064100 /nfs/dbraw/zinc/06/41/00/504064100.db2.gz HGSYRJVEPGXOFB-IBGZPJMESA-N 1 3 363.590 3.467 20 0 FGADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849231 504064105 /nfs/dbraw/zinc/06/41/05/504064105.db2.gz HGSYRJVEPGXOFB-IBGZPJMESA-N 1 3 363.590 3.467 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286226 504073279 /nfs/dbraw/zinc/07/32/79/504073279.db2.gz IPJIXKLKHJSABN-SVFBPWRDSA-N 1 3 372.557 3.213 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528146441 504090950 /nfs/dbraw/zinc/09/09/50/504090950.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 1 3 364.578 3.061 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528146441 504090953 /nfs/dbraw/zinc/09/09/53/504090953.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000547421164 504098532 /nfs/dbraw/zinc/09/85/32/504098532.db2.gz XWFXWINOUKONOM-KSZLIROESA-N 1 3 371.525 3.019 20 0 FGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000518963887 504104384 /nfs/dbraw/zinc/10/43/84/504104384.db2.gz RHFILESPBONTDM-HXUWFJFHSA-N 1 3 357.473 3.196 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021658 504117527 /nfs/dbraw/zinc/11/75/27/504117527.db2.gz UIBCDEWFCNCQDI-GKLJAUDBSA-N 1 3 369.431 3.129 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000530880666 504117912 /nfs/dbraw/zinc/11/79/12/504117912.db2.gz MCCOTFQPDSYFMU-UHFFFAOYSA-N 1 3 370.541 3.002 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443228 504221651 /nfs/dbraw/zinc/22/16/51/504221651.db2.gz IAZFRTLVBWJQET-RLLQIKCJSA-N 1 3 350.547 3.347 20 0 FGADHO CC[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[NH+](CC)CC ZINC000519532166 504243047 /nfs/dbraw/zinc/24/30/47/504243047.db2.gz HODHWZSBWBFNTP-ZWKOTPCHSA-N 1 3 351.560 3.248 20 0 FGADHO CC(C)Oc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000541764463 504246137 /nfs/dbraw/zinc/24/61/37/504246137.db2.gz IMEZBAWEEADDCM-UHFFFAOYSA-N 1 3 359.558 3.323 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548065342 504316049 /nfs/dbraw/zinc/31/60/49/504316049.db2.gz YUXUTNVOJNLCBO-SFHVURJKSA-N 1 3 372.557 3.378 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548065342 504316053 /nfs/dbraw/zinc/31/60/53/504316053.db2.gz YUXUTNVOJNLCBO-SFHVURJKSA-N 1 3 372.557 3.378 20 0 FGADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)sc1Br ZINC000531953386 504485190 /nfs/dbraw/zinc/48/51/90/504485190.db2.gz LIXGKJISGTYSCL-UHFFFAOYSA-N 1 3 361.349 3.144 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624257 504489145 /nfs/dbraw/zinc/48/91/45/504489145.db2.gz LQAJWKDZEDOLDQ-FPOVZHCZSA-N 1 3 357.542 3.364 20 0 FGADHO CC(C)c1ccc2c(c1)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624257 504489149 /nfs/dbraw/zinc/48/91/49/504489149.db2.gz LQAJWKDZEDOLDQ-FPOVZHCZSA-N 1 3 357.542 3.364 20 0 FGADHO CN(CCOc1cc(Cl)ccc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000539220229 504501107 /nfs/dbraw/zinc/50/11/07/504501107.db2.gz LYXAJUJWFVHCLS-UHFFFAOYSA-N 1 3 374.356 3.330 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000539308384 504526429 /nfs/dbraw/zinc/52/64/29/504526429.db2.gz HKJMLCUWKHNEPE-SFHVURJKSA-N 1 3 362.537 3.104 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714977 504538591 /nfs/dbraw/zinc/53/85/91/504538591.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 1 3 357.542 3.420 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CN1Cc1ccccc1 ZINC000548714977 504538597 /nfs/dbraw/zinc/53/85/97/504538597.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 1 3 357.542 3.420 20 0 FGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)C1CCOCC1 ZINC000532192731 504569075 /nfs/dbraw/zinc/56/90/75/504569075.db2.gz GRDRFYCWPPRLMZ-QFIPXVFZSA-N 1 3 359.558 3.119 20 0 FGADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542677455 504574122 /nfs/dbraw/zinc/57/41/22/504574122.db2.gz ITWSHRAGOLIFKR-IBGZPJMESA-N 1 3 363.933 3.250 20 0 FGADHO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000532212892 504574524 /nfs/dbraw/zinc/57/45/24/504574524.db2.gz LQUMOOFOHKGGDZ-IRLDBZIGSA-N 1 3 372.484 3.164 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000532373548 504626771 /nfs/dbraw/zinc/62/67/71/504626771.db2.gz JBDCSXGZIRGJMY-UHFFFAOYSA-N 1 3 362.848 3.266 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505486 504673914 /nfs/dbraw/zinc/67/39/14/504673914.db2.gz DKIJRVVVFHDJAL-OLZOCXBDSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505486 504673919 /nfs/dbraw/zinc/67/39/19/504673919.db2.gz DKIJRVVVFHDJAL-OLZOCXBDSA-N 1 3 361.349 3.398 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000543066530 504710323 /nfs/dbraw/zinc/71/03/23/504710323.db2.gz HOEAJYQQXABCBZ-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC[N@H+]1CC[C@@H](C)C1 ZINC000543066530 504710326 /nfs/dbraw/zinc/71/03/26/504710326.db2.gz HOEAJYQQXABCBZ-KGLIPLIRSA-N 1 3 357.420 3.354 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000521411459 504730560 /nfs/dbraw/zinc/73/05/60/504730560.db2.gz DWTJBTAODHMKOC-PWRODBHTSA-N 1 3 372.557 3.374 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000539890771 504731834 /nfs/dbraw/zinc/73/18/34/504731834.db2.gz MMINEEQLQZNTHB-RBBKRZOGSA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000539890771 504731840 /nfs/dbraw/zinc/73/18/40/504731840.db2.gz MMINEEQLQZNTHB-RBBKRZOGSA-N 1 3 357.542 3.220 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429772 504736038 /nfs/dbraw/zinc/73/60/38/504736038.db2.gz ACCWMIQGPZSWDR-FQEVSTJZSA-N 1 3 373.585 3.486 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429772 504736042 /nfs/dbraw/zinc/73/60/42/504736042.db2.gz ACCWMIQGPZSWDR-FQEVSTJZSA-N 1 3 373.585 3.486 20 0 FGADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000536551231 504759656 /nfs/dbraw/zinc/75/96/56/504759656.db2.gz DQMRIZYTGRMVSE-HXUWFJFHSA-N 1 3 366.509 3.302 20 0 FGADHO CSc1ccc([C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N(C)C)cc1 ZINC000521600097 504762570 /nfs/dbraw/zinc/76/25/70/504762570.db2.gz DESAWCTZHVWBCY-IBGZPJMESA-N 1 3 372.538 3.049 20 0 FGADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000553009430 504803745 /nfs/dbraw/zinc/80/37/45/504803745.db2.gz MZIICXCJVCEZOY-FXAWDEMLSA-N 1 3 354.494 3.470 20 0 FGADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000553009432 504803872 /nfs/dbraw/zinc/80/38/72/504803872.db2.gz MZIICXCJVCEZOY-PXNSSMCTSA-N 1 3 354.494 3.470 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000553177500 504846036 /nfs/dbraw/zinc/84/60/36/504846036.db2.gz FJKYJLNXHJLELZ-LJQANCHMSA-N 1 3 371.550 3.419 20 0 FGADHO Cc1cccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)c1 ZINC000553364645 504894582 /nfs/dbraw/zinc/89/45/82/504894582.db2.gz WLNDSFIEXIBJTH-NRFANRHFSA-N 1 3 357.542 3.415 20 0 FGADHO CC[C@@H](CC(F)(F)F)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565786026 504986877 /nfs/dbraw/zinc/98/68/77/504986877.db2.gz YULUOQFKIUPTOA-HNNXBMFYSA-N 1 3 363.468 3.030 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832953 504988914 /nfs/dbraw/zinc/98/89/14/504988914.db2.gz NTMJITHHEIFYLS-SFHVURJKSA-N 1 3 366.509 3.148 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832953 504988919 /nfs/dbraw/zinc/98/89/19/504988919.db2.gz NTMJITHHEIFYLS-SFHVURJKSA-N 1 3 366.509 3.148 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262681 505005850 /nfs/dbraw/zinc/00/58/50/505005850.db2.gz NQMBSIPRCUWJKY-VQTJNVASSA-N 1 3 360.567 3.400 20 0 FGADHO C[NH+](C)CCCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000560350051 505053997 /nfs/dbraw/zinc/05/39/97/505053997.db2.gz IOYOEBPQAZBFEO-UHFFFAOYSA-N 1 3 365.949 3.496 20 0 FGADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1-c1ccncc1 ZINC000560429936 505081744 /nfs/dbraw/zinc/08/17/44/505081744.db2.gz VDHHWXUPRWYGKM-UHFFFAOYSA-N 1 3 369.513 3.014 20 0 FGADHO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524502 505114989 /nfs/dbraw/zinc/11/49/89/505114989.db2.gz DFLANTLPYIIMKQ-PWRODBHTSA-N 1 3 369.553 3.313 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000563374286 505124842 /nfs/dbraw/zinc/12/48/42/505124842.db2.gz NUVQCYDQJPMKSD-UHFFFAOYSA-N 1 3 365.468 3.124 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C(C)C)[C@H]3C(C)C)CC2)CC1 ZINC000563409792 505135356 /nfs/dbraw/zinc/13/53/56/505135356.db2.gz SAAXCDBRBMHOFM-LEWJYISDSA-N 1 3 363.590 3.322 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000563581360 505183015 /nfs/dbraw/zinc/18/30/15/505183015.db2.gz OSXGBGGJAXTGDT-OVWQWFNUSA-N 1 3 364.559 3.042 20 0 FGADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000560917098 505211253 /nfs/dbraw/zinc/21/12/53/505211253.db2.gz FDBUTPWMBHPYDC-AGOPTVSRSA-N 1 3 358.526 3.122 20 0 FGADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000554603775 505219171 /nfs/dbraw/zinc/21/91/71/505219171.db2.gz ABNZTSZCUOEGIK-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000554603775 505219178 /nfs/dbraw/zinc/21/91/78/505219178.db2.gz ABNZTSZCUOEGIK-AWEZNQCLSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952119 505286779 /nfs/dbraw/zinc/28/67/79/505286779.db2.gz BRRUSHLHSPJRIH-VOQZNFBZSA-N 1 3 356.485 3.372 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952119 505286783 /nfs/dbraw/zinc/28/67/83/505286783.db2.gz BRRUSHLHSPJRIH-VOQZNFBZSA-N 1 3 356.485 3.372 20 0 FGADHO O[C@H](CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000551789827 505307342 /nfs/dbraw/zinc/30/73/42/505307342.db2.gz SGQSIYIQFFRQAD-FGTMMUONSA-N 1 3 356.432 3.388 20 0 FGADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000551814112 505316580 /nfs/dbraw/zinc/31/65/80/505316580.db2.gz LFKVEHMXCXNXQP-INIZCTEOSA-N 1 3 362.514 3.370 20 0 FGADHO CCC[NH+]1CCC(NCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000566939677 505317083 /nfs/dbraw/zinc/31/70/83/505317083.db2.gz BFRIRDLWTHGPIG-UHFFFAOYSA-N 1 3 368.319 3.242 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326577 505361224 /nfs/dbraw/zinc/36/12/24/505361224.db2.gz RQUTYDUBUGMRNW-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO N[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC000567103019 505364360 /nfs/dbraw/zinc/36/43/60/505364360.db2.gz YVHZAGQMHGPLDI-SLFFLAALSA-N 1 3 361.505 3.157 20 0 FGADHO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000558349319 505365679 /nfs/dbraw/zinc/36/56/79/505365679.db2.gz UQNFXPDPAGMRPB-YJBOKZPZSA-N 1 3 360.546 3.286 20 0 FGADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367892 /nfs/dbraw/zinc/36/78/92/505367892.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 1 3 374.573 3.459 20 0 FGADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367895 /nfs/dbraw/zinc/36/78/95/505367895.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 1 3 374.573 3.459 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549253 /nfs/dbraw/zinc/54/92/53/505549253.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549257 /nfs/dbraw/zinc/54/92/57/505549257.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](CC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000582727858 506386982 /nfs/dbraw/zinc/38/69/82/506386982.db2.gz QGMKSKJEPXXQIC-ICSRJNTNSA-N 1 3 372.557 3.172 20 0 FGADHO C[NH+](C)CC1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000612218384 506486208 /nfs/dbraw/zinc/48/62/08/506486208.db2.gz FKQPUNPOKFZPFK-UHFFFAOYSA-N 1 3 372.557 3.156 20 0 FGADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000593318317 506535614 /nfs/dbraw/zinc/53/56/14/506535614.db2.gz NTVHCBGUMIOFRK-UHFFFAOYSA-N 1 3 368.433 3.237 20 0 FGADHO [NH3+][C@H](CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000583027605 506549035 /nfs/dbraw/zinc/54/90/35/506549035.db2.gz VMCMXGNXQCYEOO-OAQYLSRUSA-N 1 3 367.493 3.062 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604161908 506730287 /nfs/dbraw/zinc/73/02/87/506730287.db2.gz PCOMGGHTWOSEJH-NRFANRHFSA-N 1 3 372.557 3.389 20 0 FGADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000597133942 506794354 /nfs/dbraw/zinc/79/43/54/506794354.db2.gz YEMOHDINSKOYRZ-MRXNPFEDSA-N 1 3 350.890 3.290 20 0 FGADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631949 506896174 /nfs/dbraw/zinc/89/61/74/506896174.db2.gz JQOVXGNYXADFKW-LJQANCHMSA-N 1 3 364.578 3.158 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103884 506940729 /nfs/dbraw/zinc/94/07/29/506940729.db2.gz QHEHDHLGNCTNHF-WTGUMLROSA-N 1 3 366.594 3.307 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000604822492 506956482 /nfs/dbraw/zinc/95/64/82/506956482.db2.gz KBHPIBMNAHMGKQ-WIYYLYMNSA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961967 507072679 /nfs/dbraw/zinc/07/26/79/507072679.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CCCNC(=O)C1CCC1 ZINC000583961967 507072687 /nfs/dbraw/zinc/07/26/87/507072687.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@H](C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154644 507134911 /nfs/dbraw/zinc/13/49/11/507134911.db2.gz QPWIYKBCSWMTGB-HMXCVIKNSA-N 1 3 357.542 3.449 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835576 507141137 /nfs/dbraw/zinc/14/11/37/507141137.db2.gz FUAIFKHEQCAAKB-OAQYLSRUSA-N 1 3 372.557 3.346 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(C)C1CC1 ZINC000591555148 507290366 /nfs/dbraw/zinc/29/03/66/507290366.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(C)C1CC1 ZINC000591555148 507290376 /nfs/dbraw/zinc/29/03/76/507290376.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572872 507297534 /nfs/dbraw/zinc/29/75/34/507297534.db2.gz RCTRWABUPBKSKK-HLAWJBBLSA-N 1 3 370.541 3.092 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016808 507355505 /nfs/dbraw/zinc/35/55/05/507355505.db2.gz XNOAJELIAMWIKK-LRDDRELGSA-N 1 3 370.278 3.210 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670689 507440848 /nfs/dbraw/zinc/44/08/48/507440848.db2.gz LSZDVFLECWJYKW-XMGTWHOFSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670689 507440862 /nfs/dbraw/zinc/44/08/62/507440862.db2.gz LSZDVFLECWJYKW-XMGTWHOFSA-N 1 3 367.537 3.030 20 0 FGADHO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670689 507440870 /nfs/dbraw/zinc/44/08/70/507440870.db2.gz LSZDVFLECWJYKW-XMGTWHOFSA-N 1 3 367.537 3.030 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000607384243 507715192 /nfs/dbraw/zinc/71/51/92/507715192.db2.gz LYMVKFJUCOFRER-UHFFFAOYSA-N 1 3 357.542 3.476 20 0 FGADHO CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824249178 609338274 /nfs/dbraw/zinc/33/82/74/609338274.db2.gz JMGWZBZFLLXDOY-HNNXBMFYSA-N 1 3 374.508 3.415 20 0 FGADHO C[NH+](C)C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCC1 ZINC000078500583 700280642 /nfs/dbraw/zinc/28/06/42/700280642.db2.gz DPBIYLLUXJUUAX-MRXNPFEDSA-N 1 3 364.559 3.059 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159592605 705228174 /nfs/dbraw/zinc/22/81/74/705228174.db2.gz OZCDMCLBGLOULH-LBPRGKRZSA-N 1 3 352.910 3.351 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)cc1CN1CCCCC1 ZINC000183003528 705873485 /nfs/dbraw/zinc/87/34/85/705873485.db2.gz ILEQNMMQBNETII-RZQQEMMASA-N 1 3 366.571 3.444 20 0 FGADHO C[C@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000195191818 713548381 /nfs/dbraw/zinc/54/83/81/713548381.db2.gz VSANCCDWPKZAOJ-XLIONFOSSA-N 1 3 353.551 3.345 20 0 FGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000237346599 713590594 /nfs/dbraw/zinc/59/05/94/713590594.db2.gz JOYSGBFZEZECNT-GASCZTMLSA-N 1 3 370.921 3.336 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921335 713614092 /nfs/dbraw/zinc/61/40/92/713614092.db2.gz HBCSVIQYIQSOFI-FGTMMUONSA-N 1 3 353.551 3.390 20 0 FGADHO FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000394117846 713990884 /nfs/dbraw/zinc/99/08/84/713990884.db2.gz XYONRTHRFXEHKF-INIZCTEOSA-N 1 3 352.404 3.057 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414933979 714005896 /nfs/dbraw/zinc/00/58/96/714005896.db2.gz XMARLJIKLVFMDC-YRGRVCCFSA-N 1 3 359.392 3.162 20 0 FGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCn1ccc2cc(Cl)ccc21 ZINC000577920113 714470967 /nfs/dbraw/zinc/47/09/67/714470967.db2.gz BMMLTEHRQNYOJX-HOJAQTOUSA-N 1 3 361.917 3.478 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579931720 714500710 /nfs/dbraw/zinc/50/07/10/714500710.db2.gz MTGCQZGSWIQRSP-MGPQQGTHSA-N 1 3 357.420 3.400 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413358 715330198 /nfs/dbraw/zinc/33/01/98/715330198.db2.gz SFXWGRZXWQMENH-HOTGVXAUSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@H+]1CC[C@H](N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413358 715330205 /nfs/dbraw/zinc/33/02/05/715330205.db2.gz SFXWGRZXWQMENH-HOTGVXAUSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413360 715330698 /nfs/dbraw/zinc/33/06/98/715330698.db2.gz SFXWGRZXWQMENH-JKSUJKDBSA-N 1 3 351.485 3.392 20 0 FGADHO C[N@H+]1CC[C@H](N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413360 715330703 /nfs/dbraw/zinc/33/07/03/715330703.db2.gz SFXWGRZXWQMENH-JKSUJKDBSA-N 1 3 351.485 3.392 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@H](C)O1 ZINC000623425051 715333778 /nfs/dbraw/zinc/33/37/78/715333778.db2.gz OZMDCNLCNIXAEP-GJZGRUSLSA-N 1 3 355.473 3.010 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121307 715477732 /nfs/dbraw/zinc/47/77/32/715477732.db2.gz SVZKIDAQZAXBIK-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121307 715477735 /nfs/dbraw/zinc/47/77/35/715477735.db2.gz SVZKIDAQZAXBIK-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121307 715477740 /nfs/dbraw/zinc/47/77/40/715477740.db2.gz SVZKIDAQZAXBIK-WMZOPIPTSA-N 1 3 365.949 3.399 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326736 715512459 /nfs/dbraw/zinc/51/24/59/715512459.db2.gz SSHLHTLAEQXLSN-GUDVDZBRSA-N 1 3 351.485 3.074 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326736 715512465 /nfs/dbraw/zinc/51/24/65/715512465.db2.gz SSHLHTLAEQXLSN-GUDVDZBRSA-N 1 3 351.485 3.074 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416139 /nfs/dbraw/zinc/41/61/39/724416139.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 1 3 353.551 3.297 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416140 /nfs/dbraw/zinc/41/61/40/724416140.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416142 /nfs/dbraw/zinc/41/61/42/724416142.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 1 3 353.551 3.297 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416144 /nfs/dbraw/zinc/41/61/44/724416144.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 1 3 353.551 3.297 20 0 FGADHO CC(C)Sc1cc(Br)ccc1CNCCOCCC[NH3+] ZINC000629399963 716282263 /nfs/dbraw/zinc/28/22/63/716282263.db2.gz NGUNELJRCWMUET-UHFFFAOYSA-N 1 3 361.349 3.405 20 0 FGADHO CC(C)c1nc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000634703484 717108980 /nfs/dbraw/zinc/10/89/80/717108980.db2.gz WZSBVSCGRLURSW-HXUWFJFHSA-N 1 3 359.539 3.036 20 0 FGADHO CC(C)c1nc(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000634703484 717108982 /nfs/dbraw/zinc/10/89/82/717108982.db2.gz WZSBVSCGRLURSW-HXUWFJFHSA-N 1 3 359.539 3.036 20 0 FGADHO [NH3+]C[C@@H]1CCN(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2ccccc21 ZINC000639063074 717510692 /nfs/dbraw/zinc/51/06/92/717510692.db2.gz BFYWLMMWAFFCRS-KCQAQPDRSA-N 1 3 356.388 3.213 20 0 FGADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1ccccc1Cl ZINC000639682080 717589873 /nfs/dbraw/zinc/58/98/73/717589873.db2.gz JYUIOSKOGXQCPF-UHFFFAOYSA-N 1 3 358.873 3.276 20 0 FGADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1ccccc1Cl ZINC000639682080 717589877 /nfs/dbraw/zinc/58/98/77/717589877.db2.gz JYUIOSKOGXQCPF-UHFFFAOYSA-N 1 3 358.873 3.276 20 0 FGADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Cl ZINC000639682080 717589882 /nfs/dbraw/zinc/58/98/82/717589882.db2.gz JYUIOSKOGXQCPF-UHFFFAOYSA-N 1 3 358.873 3.276 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583761 718128552 /nfs/dbraw/zinc/12/85/52/718128552.db2.gz AOMLZLKFMSFORV-GDBMZVCRSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644583761 718128555 /nfs/dbraw/zinc/12/85/55/718128555.db2.gz AOMLZLKFMSFORV-GDBMZVCRSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976827 718391430 /nfs/dbraw/zinc/39/14/30/718391430.db2.gz URYGHSUBBTVDCM-CGTJXYLNSA-N 1 3 363.933 3.229 20 0 FGADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000649949280 718593080 /nfs/dbraw/zinc/59/30/80/718593080.db2.gz VNAXVXUMKUJGLW-GJZGRUSLSA-N 1 3 358.404 3.477 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722814 718720759 /nfs/dbraw/zinc/72/07/59/718720759.db2.gz BTPRSTYSBYDQJM-KMFMINBZSA-N 1 3 358.404 3.288 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723389 718720843 /nfs/dbraw/zinc/72/08/43/718720843.db2.gz NFNCZGRVGRYQNC-KBAYOESNSA-N 1 3 358.511 3.066 20 0 FGADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655688707 719325830 /nfs/dbraw/zinc/32/58/30/719325830.db2.gz BNDXBZCGZMNMMR-UXHICEINSA-N 1 3 365.587 3.364 20 0 FGADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655711817 719328593 /nfs/dbraw/zinc/32/85/93/719328593.db2.gz NFASYTMRWUHJMC-AZUAARDMSA-N 1 3 351.579 3.120 20 0 FGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000655827668 719345109 /nfs/dbraw/zinc/34/51/09/719345109.db2.gz XKGQBHNNBQQXOV-VDISTLRHSA-N 1 3 354.285 3.004 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137549 719762156 /nfs/dbraw/zinc/76/21/56/719762156.db2.gz HJKQZSIHDOJUKT-RDTXWAMCSA-N 1 3 359.539 3.431 20 0 FGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137549 719762159 /nfs/dbraw/zinc/76/21/59/719762159.db2.gz HJKQZSIHDOJUKT-RDTXWAMCSA-N 1 3 359.539 3.431 20 0 FGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)[C@]3(O)CCCOC3)CC2)C1 ZINC000658313068 719784263 /nfs/dbraw/zinc/78/42/63/719784263.db2.gz WQUBIBSOKSUIRG-LMNJBCLMSA-N 1 3 352.563 3.187 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093733 /nfs/dbraw/zinc/09/37/33/720093733.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 1 3 360.889 3.350 20 0 FGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093737 /nfs/dbraw/zinc/09/37/37/720093737.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 1 3 360.889 3.350 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000661841419 720329780 /nfs/dbraw/zinc/32/97/80/720329780.db2.gz PLXMEEMWHKEBTB-MOPGFXCFSA-N 1 3 351.579 3.118 20 0 FGADHO O[C@@H]1CCN(C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153288 720384916 /nfs/dbraw/zinc/38/49/16/720384916.db2.gz AFAGXSDQWVOXLO-GOSISDBHSA-N 1 3 356.432 3.169 20 0 FGADHO C[C@H](CCNC(=O)c1cc2c(s1)CCNC2)[N@H+](C)Cc1ccccc1 ZINC000662485197 720433423 /nfs/dbraw/zinc/43/34/23/720433423.db2.gz DPXREKHJGVSONQ-OAHLLOKOSA-N 1 3 357.523 3.034 20 0 FGADHO C[C@H](CCNC(=O)c1cc2c(s1)CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000662485197 720433425 /nfs/dbraw/zinc/43/34/25/720433425.db2.gz DPXREKHJGVSONQ-OAHLLOKOSA-N 1 3 357.523 3.034 20 0 FGADHO CN(C)C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000662532313 720438904 /nfs/dbraw/zinc/43/89/04/720438904.db2.gz PUJZPQLQJRJCGR-RTBURBONSA-N 1 3 357.885 3.294 20 0 FGADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368283 720506537 /nfs/dbraw/zinc/50/65/37/720506537.db2.gz CSEXLWSAMMVCAO-IAGOWNOFSA-N 1 3 356.432 3.192 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357535 720759167 /nfs/dbraw/zinc/75/91/67/720759167.db2.gz OZOMCEFURXGWGQ-IRXDYDNUSA-N 1 3 366.937 3.115 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357535 720759171 /nfs/dbraw/zinc/75/91/71/720759171.db2.gz OZOMCEFURXGWGQ-IRXDYDNUSA-N 1 3 366.937 3.115 20 0 FGADHO CSc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000667461781 721107207 /nfs/dbraw/zinc/10/72/07/721107207.db2.gz MXEKRCWLYIZZFZ-ZDUSSCGKSA-N 1 3 372.966 3.455 20 0 FGADHO CSc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000667461781 721107208 /nfs/dbraw/zinc/10/72/08/721107208.db2.gz MXEKRCWLYIZZFZ-ZDUSSCGKSA-N 1 3 372.966 3.455 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600350 721966759 /nfs/dbraw/zinc/96/67/59/721966759.db2.gz MAKCRCIGWQHKJQ-USXIJHARSA-N 1 3 356.432 3.073 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600350 721966760 /nfs/dbraw/zinc/96/67/60/721966760.db2.gz MAKCRCIGWQHKJQ-USXIJHARSA-N 1 3 356.432 3.073 20 0 FGADHO CN1CCCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809381 722409929 /nfs/dbraw/zinc/40/99/29/722409929.db2.gz OUVXFIXVIMKUKS-GOSISDBHSA-N 1 3 353.551 3.345 20 0 FGADHO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)n1 ZINC000733993333 722503165 /nfs/dbraw/zinc/50/31/65/722503165.db2.gz MEVLNNPDGGFMKF-CQSZACIVSA-N 1 3 351.376 3.072 20 0 FGADHO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)n1 ZINC000733993333 722503166 /nfs/dbraw/zinc/50/31/66/722503166.db2.gz MEVLNNPDGGFMKF-CQSZACIVSA-N 1 3 351.376 3.072 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@@H+]1CCC[C@@H]1C ZINC000766273310 723565730 /nfs/dbraw/zinc/56/57/30/723565730.db2.gz OZQFQDNADCOQHK-KBPBESRZSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[N@H+]1CCC[C@@H]1C ZINC000766273310 723565731 /nfs/dbraw/zinc/56/57/31/723565731.db2.gz OZQFQDNADCOQHK-KBPBESRZSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(Br)cc1 ZINC000774200062 723868376 /nfs/dbraw/zinc/86/83/76/723868376.db2.gz FGBNGBJGIWGQCP-WWTUQBGBSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Br)cc1 ZINC000774200062 723868377 /nfs/dbraw/zinc/86/83/77/723868377.db2.gz FGBNGBJGIWGQCP-WWTUQBGBSA-N 1 3 353.304 3.431 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862752 /nfs/dbraw/zinc/86/27/52/726862752.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 1 3 353.551 3.296 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862757 /nfs/dbraw/zinc/86/27/57/726862757.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 1 3 353.551 3.296 20 0 FGADHO C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CN1CCCC1 ZINC000823671423 729297759 /nfs/dbraw/zinc/29/77/59/729297759.db2.gz OFTAQWJXMFOEQR-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961932 729314249 /nfs/dbraw/zinc/31/42/49/729314249.db2.gz ZNTUCJZKLQSCST-TVFCKZIOSA-N 1 3 353.551 3.484 20 0 FGADHO C[NH+](C)CCCC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828121624 729440246 /nfs/dbraw/zinc/44/02/46/729440246.db2.gz GBMNGZHJYIDHGA-IBGZPJMESA-N 1 3 351.535 3.194 20 0 FGADHO CCN(CCC[NH+](CC)CC)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831975386 729679305 /nfs/dbraw/zinc/67/93/05/729679305.db2.gz LYMLCLBTTXWAIX-INIZCTEOSA-N 1 3 354.926 3.014 20 0 FGADHO Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000843126320 730589036 /nfs/dbraw/zinc/58/90/36/730589036.db2.gz JCUBPUZVTWOPKD-UHFFFAOYSA-N 1 3 358.917 3.469 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066437 731225312 /nfs/dbraw/zinc/22/53/12/731225312.db2.gz FCXLIWMZQGXVLD-INIZCTEOSA-N 1 3 356.436 3.236 20 0 FGADHO [NH2+]=C(NCCSC(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849069616 731225676 /nfs/dbraw/zinc/22/56/76/731225676.db2.gz OUUAOFSBLRJFMI-UHFFFAOYSA-N 1 3 360.449 3.018 20 0 FGADHO C[C@H](NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074202 731225959 /nfs/dbraw/zinc/22/59/59/731225959.db2.gz GIPOAACIHYYRKW-FPMFFAJLSA-N 1 3 371.312 3.032 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404692 733192739 /nfs/dbraw/zinc/19/27/39/733192739.db2.gz RRRGPTSOUOPTRW-AWEZNQCLSA-N 1 3 367.456 3.295 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449769 733203459 /nfs/dbraw/zinc/20/34/59/733203459.db2.gz FBAQDGAOHUOFPH-CABCVRRESA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449769 733203463 /nfs/dbraw/zinc/20/34/63/733203463.db2.gz FBAQDGAOHUOFPH-CABCVRRESA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449769 733203466 /nfs/dbraw/zinc/20/34/66/733203466.db2.gz FBAQDGAOHUOFPH-CABCVRRESA-N 1 3 363.493 3.245 20 0 FGADHO CC(C)(C)c1csc(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000865621012 733239262 /nfs/dbraw/zinc/23/92/62/733239262.db2.gz VHNIEHUGYPBQFH-UHFFFAOYSA-N 1 3 351.560 3.421 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866589114 733370781 /nfs/dbraw/zinc/37/07/81/733370781.db2.gz DDPNJUNWYZNAIQ-HNNXBMFYSA-N 1 3 353.457 3.061 20 0 FGADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cc2c(s1)CCC2 ZINC000873244004 735743226 /nfs/dbraw/zinc/74/32/26/735743226.db2.gz OTATXTPQJGDQJP-ZDUSSCGKSA-N 1 3 353.495 3.127 20 0 FGADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1nc2ccc(Cl)cc2n1C ZINC000873292571 735747206 /nfs/dbraw/zinc/74/72/06/735747206.db2.gz ULHGNWGZKJMOCH-DZGCQCFKSA-N 1 3 362.905 3.036 20 0 FGADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1OC(F)F ZINC000873292600 735747726 /nfs/dbraw/zinc/74/77/26/735747726.db2.gz UQJBHXDYJLFPMZ-OCCSQVGLSA-N 1 3 358.404 3.236 20 0 FGADHO COCCCC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCC1 ZINC000892192049 739974350 /nfs/dbraw/zinc/97/43/50/739974350.db2.gz JHUDPEVDIHVMQL-UHFFFAOYSA-N 1 3 351.579 3.074 20 0 FGADHO CCOC(=O)c1ncc(CNC2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000893187668 742121608 /nfs/dbraw/zinc/12/16/08/742121608.db2.gz TUAQVTFEGYDFRR-UHFFFAOYSA-N 1 3 365.543 3.453 20 0 FGADHO CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345545 743734620 /nfs/dbraw/zinc/73/46/20/743734620.db2.gz DAQGXHAPWNKLRW-IIDMSEBBSA-N 1 3 374.497 3.080 20 0 FGADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393942 758913696 /nfs/dbraw/zinc/91/36/96/758913696.db2.gz NZUFPCJHLQTGJL-HNBVOPMISA-N 1 3 365.587 3.301 20 0 FGADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393942 758913700 /nfs/dbraw/zinc/91/37/00/758913700.db2.gz NZUFPCJHLQTGJL-HNBVOPMISA-N 1 3 365.587 3.301 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929949 759419803 /nfs/dbraw/zinc/41/98/03/759419803.db2.gz OBFFTFTVBGERGB-MRXNPFEDSA-N 1 3 366.933 3.426 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929949 759419808 /nfs/dbraw/zinc/41/98/08/759419808.db2.gz OBFFTFTVBGERGB-MRXNPFEDSA-N 1 3 366.933 3.426 20 0 FGADHO Brc1cnn(CCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925653461 759517627 /nfs/dbraw/zinc/51/76/27/759517627.db2.gz LSTTUJOATDVLOY-IAGOWNOFSA-N 1 3 369.351 3.184 20 0 FGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3cccc(Br)c3)C1)[NH2+]2 ZINC000925657372 759519983 /nfs/dbraw/zinc/51/99/83/759519983.db2.gz OBTKWTHJEVJQMM-YOQCSXPPSA-N 1 3 364.331 3.146 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455273 /nfs/dbraw/zinc/45/52/73/760455273.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455282 /nfs/dbraw/zinc/45/52/82/760455282.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455288 /nfs/dbraw/zinc/45/52/88/760455288.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455294 /nfs/dbraw/zinc/45/52/94/760455294.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 1 3 353.551 3.344 20 0 FGADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862871 /nfs/dbraw/zinc/86/28/71/760862871.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 1 3 354.416 3.052 20 0 FGADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862885 /nfs/dbraw/zinc/86/28/85/760862885.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 1 3 354.416 3.052 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990761495 764561202 /nfs/dbraw/zinc/56/12/02/764561202.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 1 3 361.555 3.092 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761495 764561213 /nfs/dbraw/zinc/56/12/13/764561213.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 1 3 361.555 3.092 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3Cl)C2)CC[N@@H+]1C ZINC001020172054 765865797 /nfs/dbraw/zinc/86/57/97/765865797.db2.gz KKRWZSLJMGBJAL-NMFUWQPSSA-N 1 3 370.324 3.070 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC001020172054 765865806 /nfs/dbraw/zinc/86/58/06/765865806.db2.gz KKRWZSLJMGBJAL-NMFUWQPSSA-N 1 3 370.324 3.070 20 0 FGADHO Cc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001034939619 766250622 /nfs/dbraw/zinc/25/06/22/766250622.db2.gz HTFBWHQBGKAJBU-KBAYOESNSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001034939619 766250627 /nfs/dbraw/zinc/25/06/27/766250627.db2.gz HTFBWHQBGKAJBU-KBAYOESNSA-N 1 3 363.933 3.069 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001052392183 766899392 /nfs/dbraw/zinc/89/93/92/766899392.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001052392183 766899410 /nfs/dbraw/zinc/89/94/10/766899410.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 1 3 363.933 3.151 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000567940456 505579859 /nfs/dbraw/zinc/57/98/59/505579859.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000567940456 505579863 /nfs/dbraw/zinc/57/98/63/505579863.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 1 3 357.542 3.278 20 0 FGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000567982801 505590166 /nfs/dbraw/zinc/59/01/66/505590166.db2.gz RRNCUDJBCDSJLO-SBHAEUEKSA-N 1 3 373.516 3.028 20 0 FGADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000570960970 505621491 /nfs/dbraw/zinc/62/14/91/505621491.db2.gz ZUCFPHLLVYCSIC-INIZCTEOSA-N 1 3 364.559 3.336 20 0 FGADHO c1cncc(COc2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000571046456 505640932 /nfs/dbraw/zinc/64/09/32/505640932.db2.gz HRHYRLXVXIFQKY-NRFANRHFSA-N 1 3 351.494 3.482 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4c(c3)CCCC4)CC2)CC1 ZINC000577002170 505643332 /nfs/dbraw/zinc/64/33/32/505643332.db2.gz BZUXEKKNTORDAJ-UHFFFAOYSA-N 1 3 370.541 3.095 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648833 494108182 /nfs/dbraw/zinc/10/81/82/494108182.db2.gz DXOQNZZFPJXIBM-STQMWFEESA-N 1 3 370.278 3.426 20 0 FGADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648833 494108188 /nfs/dbraw/zinc/10/81/88/494108188.db2.gz DXOQNZZFPJXIBM-STQMWFEESA-N 1 3 370.278 3.426 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000580024605 505664185 /nfs/dbraw/zinc/66/41/85/505664185.db2.gz FHOQYVBWOTVHCV-KFWWJZLASA-N 1 3 370.335 3.384 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105830 505665420 /nfs/dbraw/zinc/66/54/20/505665420.db2.gz WSWHEZQWBQFPFP-KRWDZBQOSA-N 1 3 352.592 3.289 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105830 505665424 /nfs/dbraw/zinc/66/54/24/505665424.db2.gz WSWHEZQWBQFPFP-KRWDZBQOSA-N 1 3 352.592 3.289 20 0 FGADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000076052091 493813183 /nfs/dbraw/zinc/81/31/83/493813183.db2.gz QGYLGWKEZCANNE-FQEVSTJZSA-N 1 3 360.546 3.195 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000081484363 493901197 /nfs/dbraw/zinc/90/11/97/493901197.db2.gz UPVXEWITZAGBEM-LJQANCHMSA-N 1 3 357.542 3.230 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000051158532 493952032 /nfs/dbraw/zinc/95/20/32/493952032.db2.gz HDSVXERECRISFH-ROUUACIJSA-N 1 3 357.542 3.054 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000051236024 493955987 /nfs/dbraw/zinc/95/59/87/493955987.db2.gz MHWGJMYGTMOLGE-UHFFFAOYSA-N 1 3 350.894 3.020 20 0 FGADHO CC[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)N1CCc2ccccc2C1 ZINC000060955284 493960506 /nfs/dbraw/zinc/96/05/06/493960506.db2.gz BJTFNNPBKIOWFP-NRFANRHFSA-N 1 3 374.573 3.241 20 0 FGADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000062252811 494008207 /nfs/dbraw/zinc/00/82/07/494008207.db2.gz LJGAIRITPPGFHJ-ROUUACIJSA-N 1 3 354.498 3.123 20 0 FGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C(C)C ZINC000062474152 494014146 /nfs/dbraw/zinc/01/41/46/494014146.db2.gz SVGSMPYQPHRUHD-UHFFFAOYSA-N 1 3 366.525 3.018 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000063586600 494066953 /nfs/dbraw/zinc/06/69/53/494066953.db2.gz KHJRNEVUBKIDMF-UHFFFAOYSA-N 1 3 357.542 3.135 20 0 FGADHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1OCc1cccnc1 ZINC000071895953 494107562 /nfs/dbraw/zinc/10/75/62/494107562.db2.gz GGOMCJRUDXKYIG-UHFFFAOYSA-N 1 3 357.498 3.347 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000072020130 494116959 /nfs/dbraw/zinc/11/69/59/494116959.db2.gz USNZTJSWECKWAB-ROUUACIJSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065517537 494207539 /nfs/dbraw/zinc/20/75/39/494207539.db2.gz LEMAGFQKFFYIQK-NRFANRHFSA-N 1 3 374.573 3.128 20 0 FGADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065517537 494207542 /nfs/dbraw/zinc/20/75/42/494207542.db2.gz LEMAGFQKFFYIQK-NRFANRHFSA-N 1 3 374.573 3.128 20 0 FGADHO CCC1(O)CCN(Cc2ccc(C[NH+]3CCC(O)(CC)CC3)cc2)CC1 ZINC000072724866 494241711 /nfs/dbraw/zinc/24/17/11/494241711.db2.gz WRRXNKLHMDUSHA-UHFFFAOYSA-N 1 3 360.542 3.160 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718331 494264260 /nfs/dbraw/zinc/26/42/60/494264260.db2.gz YJPNKPYRZDKPCA-ICSRJNTNSA-N 1 3 360.546 3.240 20 0 FGADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000072928790 494284137 /nfs/dbraw/zinc/28/41/37/494284137.db2.gz GVEKQZRNAIDJHU-UHFFFAOYSA-N 1 3 356.470 3.333 20 0 FGADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000574175537 505712389 /nfs/dbraw/zinc/71/23/89/505712389.db2.gz DFGWHONSTFDFFI-CTNGQTDRSA-N 1 3 354.498 3.103 20 0 FGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365045 505713950 /nfs/dbraw/zinc/71/39/50/505713950.db2.gz OPVWUEDJUADPIX-HZPDHXFCSA-N 1 3 368.319 3.240 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000577365045 505713953 /nfs/dbraw/zinc/71/39/53/505713953.db2.gz OPVWUEDJUADPIX-HZPDHXFCSA-N 1 3 368.319 3.240 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415617 494368739 /nfs/dbraw/zinc/36/87/39/494368739.db2.gz XIUARTCRGLFKJX-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415617 494368744 /nfs/dbraw/zinc/36/87/44/494368744.db2.gz XIUARTCRGLFKJX-SFTDATJTSA-N 1 3 372.557 3.339 20 0 FGADHO O=C(CN1CCCC[C@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010414 494428156 /nfs/dbraw/zinc/42/81/56/494428156.db2.gz LGURPENOALJBOO-NRFANRHFSA-N 1 3 369.553 3.217 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000073918820 494448412 /nfs/dbraw/zinc/44/84/12/494448412.db2.gz ZFSLASYMMGKAST-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000045757749 494457630 /nfs/dbraw/zinc/45/76/30/494457630.db2.gz RVVRFKUFXFNJKA-UHFFFAOYSA-N 1 3 372.557 3.135 20 0 FGADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526250 494478603 /nfs/dbraw/zinc/47/86/03/494478603.db2.gz CTSNZVBIQOUZKU-KYNGSXCRSA-N 1 3 350.478 3.253 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338946 494517624 /nfs/dbraw/zinc/51/76/24/494517624.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000046338946 494517625 /nfs/dbraw/zinc/51/76/25/494517625.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526984 /nfs/dbraw/zinc/52/69/84/494526984.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526987 /nfs/dbraw/zinc/52/69/87/494526987.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000067406927 494533943 /nfs/dbraw/zinc/53/39/43/494533943.db2.gz ZXESVQMMYXXFLL-IBGZPJMESA-N 1 3 374.573 3.402 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571416068 505728740 /nfs/dbraw/zinc/72/87/40/505728740.db2.gz GPXZIWHPOSOHMB-HXUWFJFHSA-N 1 3 371.550 3.160 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571416068 505728745 /nfs/dbraw/zinc/72/87/45/505728745.db2.gz GPXZIWHPOSOHMB-HXUWFJFHSA-N 1 3 371.550 3.160 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095246 494592089 /nfs/dbraw/zinc/59/20/89/494592089.db2.gz MAOMGJMXDRQQDL-SBHAEUEKSA-N 1 3 372.557 3.071 20 0 FGADHO CN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074875285 494635665 /nfs/dbraw/zinc/63/56/65/494635665.db2.gz VZGLJTBHHLXYJN-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121266679 494674500 /nfs/dbraw/zinc/67/45/00/494674500.db2.gz IKJZTFDFVYPRCJ-TYPHKJRUSA-N 1 3 358.526 3.454 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000131692607 494700504 /nfs/dbraw/zinc/70/05/04/494700504.db2.gz PQVLONWXRRMEPZ-FGZHOGPDSA-N 1 3 365.521 3.404 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000080457956 494708549 /nfs/dbraw/zinc/70/85/49/494708549.db2.gz BRRZTSPMSQEYOA-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000131852229 494753915 /nfs/dbraw/zinc/75/39/15/494753915.db2.gz QMHCUMBZILFJMD-GOSISDBHSA-N 1 3 369.509 3.016 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1OCCN(C)C ZINC000068084672 494755325 /nfs/dbraw/zinc/75/53/25/494755325.db2.gz ZYUQFOVOKVVZBD-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1OCCN(C)C ZINC000068084672 494755332 /nfs/dbraw/zinc/75/53/32/494755332.db2.gz ZYUQFOVOKVVZBD-GOSISDBHSA-N 1 3 361.530 3.011 20 0 FGADHO C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821109 494763371 /nfs/dbraw/zinc/76/33/71/494763371.db2.gz XXVCVDUQTPJZFF-IBGZPJMESA-N 1 3 372.557 3.267 20 0 FGADHO CC(C)N(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000092821632 494763779 /nfs/dbraw/zinc/76/37/79/494763779.db2.gz RYSRWVKIMSKWPD-UHFFFAOYSA-N 1 3 360.546 3.265 20 0 FGADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803845 /nfs/dbraw/zinc/80/38/45/494803845.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 1 3 359.558 3.398 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000116545043 494812588 /nfs/dbraw/zinc/81/25/88/494812588.db2.gz ZXFRIEGAXUNFSD-GOSISDBHSA-N 1 3 372.557 3.243 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121917528 494889491 /nfs/dbraw/zinc/88/94/91/494889491.db2.gz VKAAKHFKXCJRPY-APWZRJJASA-N 1 3 365.949 3.478 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597542 494902618 /nfs/dbraw/zinc/90/26/18/494902618.db2.gz AWNPIODQHYPQKV-OAQYLSRUSA-N 1 3 370.585 3.136 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000132716263 494913704 /nfs/dbraw/zinc/91/37/04/494913704.db2.gz ZZOADVNPPYUSQN-QFIPXVFZSA-N 1 3 353.510 3.040 20 0 FGADHO FC(F)COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734961 494914473 /nfs/dbraw/zinc/91/44/73/494914473.db2.gz MKSUQFRTVQCGOT-UHFFFAOYSA-N 1 3 368.468 3.407 20 0 FGADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110914775 495021315 /nfs/dbraw/zinc/02/13/15/495021315.db2.gz FUJSCHYIPDRBHI-HXUWFJFHSA-N 1 3 371.569 3.477 20 0 FGADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110914775 495021317 /nfs/dbraw/zinc/02/13/17/495021317.db2.gz FUJSCHYIPDRBHI-HXUWFJFHSA-N 1 3 371.569 3.477 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000128001426 495029391 /nfs/dbraw/zinc/02/93/91/495029391.db2.gz YVYDBYKTMVUSAX-VXKWHMMOSA-N 1 3 365.521 3.147 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000128001426 495029394 /nfs/dbraw/zinc/02/93/94/495029394.db2.gz YVYDBYKTMVUSAX-VXKWHMMOSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000097428255 495035511 /nfs/dbraw/zinc/03/55/11/495035511.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000097428255 495035517 /nfs/dbraw/zinc/03/55/17/495035517.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]4(CC[C@@H](C)C4)C3)CC2)CC1 ZINC000571535547 505757436 /nfs/dbraw/zinc/75/74/36/505757436.db2.gz RDOYWWMGTBUCNE-XMSQKQJNSA-N 1 3 361.574 3.221 20 0 FGADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123135113 495085480 /nfs/dbraw/zinc/08/54/80/495085480.db2.gz XXIQBPVSPRZTAE-INIZCTEOSA-N 1 3 363.571 3.075 20 0 FGADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1 ZINC000123311639 495112802 /nfs/dbraw/zinc/11/28/02/495112802.db2.gz AMFYMCDVZINUCG-LJQANCHMSA-N 1 3 359.558 3.477 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666286 495132537 /nfs/dbraw/zinc/13/25/37/495132537.db2.gz CATQTWCMKDDWDM-HNNXBMFYSA-N 1 3 359.436 3.263 20 0 FGADHO CCCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000119656783 495211385 /nfs/dbraw/zinc/21/13/85/495211385.db2.gz TZJAJZAFGUJILP-FQEVSTJZSA-N 1 3 364.578 3.203 20 0 FGADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216121 /nfs/dbraw/zinc/21/61/21/495216121.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 1 3 357.542 3.379 20 0 FGADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216125 /nfs/dbraw/zinc/21/61/25/495216125.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 1 3 357.542 3.379 20 0 FGADHO CN(CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657755 495218336 /nfs/dbraw/zinc/21/83/36/495218336.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO CN(CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657755 495218339 /nfs/dbraw/zinc/21/83/39/495218339.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 1 3 368.319 3.051 20 0 FGADHO C[N@@H+]1CCCN(CCCNCc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710237 495227516 /nfs/dbraw/zinc/22/75/16/495227516.db2.gz GRVMOFBWIQWJJX-UHFFFAOYSA-N 1 3 361.864 3.059 20 0 FGADHO C[N@H+]1CCCN(CCCNCc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710237 495227521 /nfs/dbraw/zinc/22/75/21/495227521.db2.gz GRVMOFBWIQWJJX-UHFFFAOYSA-N 1 3 361.864 3.059 20 0 FGADHO CN(CCN1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112751018 495236701 /nfs/dbraw/zinc/23/67/01/495236701.db2.gz UZHJVEDTHAXFMF-UHFFFAOYSA-N 1 3 372.557 3.300 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000120068184 495300216 /nfs/dbraw/zinc/30/02/16/495300216.db2.gz GNRYTYQYVNVDHG-CBNMVNINSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN(C)C2)CCCC1)c1ccccc1 ZINC000113619658 495321935 /nfs/dbraw/zinc/32/19/35/495321935.db2.gz GAJQCNPKTIUNOO-MOPGFXCFSA-N 1 3 372.557 3.291 20 0 FGADHO COc1ccc(Br)cc1CN(C)CCCn1ccnc1C ZINC000136297724 495370446 /nfs/dbraw/zinc/37/04/46/495370446.db2.gz GHTSYPIMBJCCSY-UHFFFAOYSA-N 1 3 352.276 3.485 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000136375847 495375670 /nfs/dbraw/zinc/37/56/70/495375670.db2.gz ASOILZCKVPQXTP-QHAWAJNXSA-N 1 3 372.557 3.195 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000136375847 495375672 /nfs/dbraw/zinc/37/56/72/495375672.db2.gz ASOILZCKVPQXTP-QHAWAJNXSA-N 1 3 372.557 3.195 20 0 FGADHO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cc1 ZINC000125356246 495431458 /nfs/dbraw/zinc/43/14/58/495431458.db2.gz IRLDLSPOXAMQSL-HRAATJIYSA-N 1 3 358.482 3.020 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000107329179 495525373 /nfs/dbraw/zinc/52/53/73/495525373.db2.gz KEGHJWZNHDPGSP-UHFFFAOYSA-N 1 3 372.557 3.133 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000173564661 495590080 /nfs/dbraw/zinc/59/00/80/495590080.db2.gz SDGYLWQRMLENRL-RXVVDRJESA-N 1 3 372.557 3.297 20 0 FGADHO CN1CC[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775861 505791078 /nfs/dbraw/zinc/79/10/78/505791078.db2.gz XNTBBHNBSCYUPP-NHCUHLMSSA-N 1 3 357.542 3.057 20 0 FGADHO CN1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179475028 495606353 /nfs/dbraw/zinc/60/63/53/495606353.db2.gz QXKCZTLTOSSMTP-ACRUOGEOSA-N 1 3 370.541 3.092 20 0 FGADHO CN1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483401 495609028 /nfs/dbraw/zinc/60/90/28/495609028.db2.gz DKMMZSRHXKSLRP-PMACEKPBSA-N 1 3 358.530 3.043 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460408 495623020 /nfs/dbraw/zinc/62/30/20/495623020.db2.gz IZQRKVRXTZBKQV-GOSISDBHSA-N 1 3 363.546 3.081 20 0 FGADHO CC(C)Cc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000580606942 505795858 /nfs/dbraw/zinc/79/58/58/505795858.db2.gz AGFNRVIHTYRQEV-HXUWFJFHSA-N 1 3 357.542 3.232 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000171038116 495698712 /nfs/dbraw/zinc/69/87/12/495698712.db2.gz REBIIFBBOLAREY-ROUUACIJSA-N 1 3 364.559 3.011 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000173823440 495707626 /nfs/dbraw/zinc/70/76/26/495707626.db2.gz KGSCAEBYXFHCET-FGTMMUONSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000173823440 495707633 /nfs/dbraw/zinc/70/76/33/495707633.db2.gz KGSCAEBYXFHCET-FGTMMUONSA-N 1 3 364.559 3.009 20 0 FGADHO CSc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173950088 495760115 /nfs/dbraw/zinc/76/01/15/495760115.db2.gz XRZIYWQSNUHHRY-UHFFFAOYSA-N 1 3 364.555 3.364 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000173992890 495780431 /nfs/dbraw/zinc/78/04/31/495780431.db2.gz SKUXDAXXBQITDH-HDICACEKSA-N 1 3 357.542 3.123 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000173992890 495780436 /nfs/dbraw/zinc/78/04/36/495780436.db2.gz SKUXDAXXBQITDH-HDICACEKSA-N 1 3 357.542 3.123 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045941 495812529 /nfs/dbraw/zinc/81/25/29/495812529.db2.gz WJQSEFRFHJKFTE-LJQANCHMSA-N 1 3 367.537 3.478 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174118104 495826255 /nfs/dbraw/zinc/82/62/55/495826255.db2.gz PSCVQANIELDCDU-PZJWPPBQSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000174259535 495885558 /nfs/dbraw/zinc/88/55/58/495885558.db2.gz JIUCQECJQQAJDB-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000180181095 495894611 /nfs/dbraw/zinc/89/46/11/495894611.db2.gz PTKDDLFYEDCGMK-IRXDYDNUSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@@H](C)O1 ZINC000180181112 495895341 /nfs/dbraw/zinc/89/53/41/495895341.db2.gz PTKDDLFYEDCGMK-IAGOWNOFSA-N 1 3 356.514 3.274 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000186269967 495921542 /nfs/dbraw/zinc/92/15/42/495921542.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000186269967 495921547 /nfs/dbraw/zinc/92/15/47/495921547.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000186271418 495922803 /nfs/dbraw/zinc/92/28/03/495922803.db2.gz YQRZXDLKTCBQDI-OAQYLSRUSA-N 1 3 372.557 3.069 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C2CC2)C2CCCC2)CC1 ZINC000171616658 495949497 /nfs/dbraw/zinc/94/94/97/495949497.db2.gz AKQRKHRIIVFHEL-UHFFFAOYSA-N 1 3 369.553 3.483 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171622741 495952455 /nfs/dbraw/zinc/95/24/55/495952455.db2.gz YQJVSZSUZTXJKO-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CCC[C@@H]1[C@H](C)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467640 495972235 /nfs/dbraw/zinc/97/22/35/495972235.db2.gz ZJMWXHBMHLWPQU-YLJYHZDGSA-N 1 3 364.578 3.155 20 0 FGADHO CCC[C@@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174467412 495972388 /nfs/dbraw/zinc/97/23/88/495972388.db2.gz DPHHANVZWKISJJ-NRFANRHFSA-N 1 3 364.578 3.157 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177212685 495979348 /nfs/dbraw/zinc/97/93/48/495979348.db2.gz QYZSKMLKMZFPGT-OAHLLOKOSA-N 1 3 354.336 3.127 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000155571376 495999881 /nfs/dbraw/zinc/99/98/81/495999881.db2.gz ZKWBRZZSPDYBHR-YJBOKZPZSA-N 1 3 351.922 3.169 20 0 FGADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000151962134 496005597 /nfs/dbraw/zinc/00/55/97/496005597.db2.gz SESBVYPFEHLTJK-FQEVSTJZSA-N 1 3 369.509 3.180 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000174689390 496063391 /nfs/dbraw/zinc/06/33/91/496063391.db2.gz HZDRXJXFATZMRL-LJQANCHMSA-N 1 3 372.557 3.165 20 0 FGADHO CN(C)CCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCC1 ZINC000177468301 496073717 /nfs/dbraw/zinc/07/37/17/496073717.db2.gz PQLMESTZRCOWMG-UHFFFAOYSA-N 1 3 372.557 3.298 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710654 496089214 /nfs/dbraw/zinc/08/92/14/496089214.db2.gz LCUBXFOVZROSRL-RHSMWYFYSA-N 1 3 370.335 3.071 20 0 FGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000174890718 496151455 /nfs/dbraw/zinc/15/14/55/496151455.db2.gz CYEDSAQDAFPJQG-AOIWGVFYSA-N 1 3 360.546 3.240 20 0 FGADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000156211942 496188146 /nfs/dbraw/zinc/18/81/46/496188146.db2.gz SYJYNTMBAWLZRW-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000175010639 496205721 /nfs/dbraw/zinc/20/57/21/496205721.db2.gz UNPLYNKNDKULQO-INIZCTEOSA-N 1 3 357.498 3.489 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000175010639 496205729 /nfs/dbraw/zinc/20/57/29/496205729.db2.gz UNPLYNKNDKULQO-INIZCTEOSA-N 1 3 357.498 3.489 20 0 FGADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1Cl ZINC000180964181 496221959 /nfs/dbraw/zinc/22/19/59/496221959.db2.gz HTTAXMAHZMMBKE-UHFFFAOYSA-N 1 3 359.901 3.230 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594556 496288982 /nfs/dbraw/zinc/28/89/82/496288982.db2.gz YXFHDSYZTCXBNR-GOSISDBHSA-N 1 3 369.509 3.422 20 0 FGADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594556 496288986 /nfs/dbraw/zinc/28/89/86/496288986.db2.gz YXFHDSYZTCXBNR-GOSISDBHSA-N 1 3 369.509 3.422 20 0 FGADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178034365 496297828 /nfs/dbraw/zinc/29/78/28/496297828.db2.gz CELDILCCWVKBCH-IPMKNSEASA-N 1 3 361.530 3.191 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000172587794 496354453 /nfs/dbraw/zinc/35/44/53/496354453.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N(C)Cc1ccccc1 ZINC000172587794 496354460 /nfs/dbraw/zinc/35/44/60/496354460.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 1 3 372.557 3.167 20 0 FGADHO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000162812821 496416746 /nfs/dbraw/zinc/41/67/46/496416746.db2.gz OOPWEFKEQGJZKG-CGOGLYEHSA-N 1 3 366.571 3.357 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000175524131 496426085 /nfs/dbraw/zinc/42/60/85/496426085.db2.gz TUEFAWPTZULGGJ-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000175524131 496426089 /nfs/dbraw/zinc/42/60/89/496426089.db2.gz TUEFAWPTZULGGJ-GOSISDBHSA-N 1 3 360.546 3.243 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000162873060 496426666 /nfs/dbraw/zinc/42/66/66/496426666.db2.gz OLRWETGAKULMEI-ZACQAIPSSA-N 1 3 350.503 3.244 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(OCCN(C)C)cc1 ZINC000178365060 496428645 /nfs/dbraw/zinc/42/86/45/496428645.db2.gz CBBRYIQDAVUWCQ-OAHLLOKOSA-N 1 3 373.463 3.304 20 0 FGADHO COc1ccccc1[C@@H](O)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178445366 496458475 /nfs/dbraw/zinc/45/84/75/496458475.db2.gz BZUPFTJKTRQMBC-UZLBHIALSA-N 1 3 358.482 3.020 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCCC[NH+]2CCCC2)CC1 ZINC000181636552 496480318 /nfs/dbraw/zinc/48/03/18/496480318.db2.gz FKOGOLBOMUVDGL-GOSISDBHSA-N 1 3 362.537 3.104 20 0 FGADHO Cc1c(-c2cc(CN3CCC(CCC[NH+]4CCCC4)CC3)on2)cnn1C ZINC000184685650 496491945 /nfs/dbraw/zinc/49/19/45/496491945.db2.gz XMNGMIXNSJMIID-UHFFFAOYSA-N 1 3 371.529 3.472 20 0 FGADHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163312051 496496632 /nfs/dbraw/zinc/49/66/32/496496632.db2.gz OGCZRAAFLSWRBJ-HNNXBMFYSA-N 1 3 353.913 3.375 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000571960597 505855274 /nfs/dbraw/zinc/85/52/74/505855274.db2.gz PAIKRGVLVOPWOC-UEVCKROQSA-N 1 3 352.522 3.399 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960597 505855275 /nfs/dbraw/zinc/85/52/75/505855275.db2.gz PAIKRGVLVOPWOC-UEVCKROQSA-N 1 3 352.522 3.399 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000158129403 496634693 /nfs/dbraw/zinc/63/46/93/496634693.db2.gz XFCPVFULOQRNRO-QGZVFWFLSA-N 1 3 371.447 3.171 20 0 FGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003954 496643528 /nfs/dbraw/zinc/64/35/28/496643528.db2.gz SRKUPEWZJCQQKZ-GUXCAODWSA-N 1 3 355.482 3.028 20 0 FGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)CN1CCCC1 ZINC000165287776 496654923 /nfs/dbraw/zinc/65/49/23/496654923.db2.gz WNXQLUMQMSAILT-ROUUACIJSA-N 1 3 356.514 3.382 20 0 FGADHO Cc1ccc(NC(=O)CCNC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000167132511 496697844 /nfs/dbraw/zinc/69/78/44/496697844.db2.gz JUWNXJHGEXPLRG-UHFFFAOYSA-N 1 3 366.509 3.015 20 0 FGADHO CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167669601 496705349 /nfs/dbraw/zinc/70/53/49/496705349.db2.gz GHOKALGSBKXGDT-NHCUHLMSSA-N 1 3 357.542 3.407 20 0 FGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000185220512 496707948 /nfs/dbraw/zinc/70/79/48/496707948.db2.gz IUSPGAIXYIYQAI-NHCUHLMSSA-N 1 3 360.542 3.325 20 0 FGADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000182243644 496718797 /nfs/dbraw/zinc/71/87/97/496718797.db2.gz KUAWGWXVICBEBR-PMACEKPBSA-N 1 3 364.555 3.118 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CSCCc3ccccc32)C1 ZINC000182262764 496722564 /nfs/dbraw/zinc/72/25/64/496722564.db2.gz XCLNYNYZRHUAKE-RBBKRZOGSA-N 1 3 368.546 3.373 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CSCCc3ccccc32)C1 ZINC000182262764 496722566 /nfs/dbraw/zinc/72/25/66/496722566.db2.gz XCLNYNYZRHUAKE-RBBKRZOGSA-N 1 3 368.546 3.373 20 0 FGADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191357604 496736597 /nfs/dbraw/zinc/73/65/97/496736597.db2.gz YAJOTFGOHSRSRH-VXKWHMMOSA-N 1 3 358.526 3.333 20 0 FGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335264 496739923 /nfs/dbraw/zinc/73/99/23/496739923.db2.gz VTPVDRPPDRLLDY-MRXNPFEDSA-N 1 3 368.319 3.194 20 0 FGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335264 496739929 /nfs/dbraw/zinc/73/99/29/496739929.db2.gz VTPVDRPPDRLLDY-MRXNPFEDSA-N 1 3 368.319 3.194 20 0 FGADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268761613 496777696 /nfs/dbraw/zinc/77/76/96/496777696.db2.gz OBQSDAHBBVBDLS-SFHVURJKSA-N 1 3 353.510 3.436 20 0 FGADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOCC2)c1 ZINC000268761612 496777707 /nfs/dbraw/zinc/77/77/07/496777707.db2.gz OBQSDAHBBVBDLS-GOSISDBHSA-N 1 3 353.510 3.436 20 0 FGADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(OC)c(OC)c1 ZINC000268842382 496800682 /nfs/dbraw/zinc/80/06/82/496800682.db2.gz UOFDBJYDCAFVCL-IBGZPJMESA-N 1 3 363.546 3.162 20 0 FGADHO C[C@H](NCc1cccc(-n2cncn2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268918150 496822994 /nfs/dbraw/zinc/82/29/94/496822994.db2.gz OKQWKLYNWHLASN-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@H]1C[C@@H](NCc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961830 496835663 /nfs/dbraw/zinc/83/56/63/496835663.db2.gz XTCPJGYRICDQOZ-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO C[C@H]1C[C@@H](NCc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961830 496835670 /nfs/dbraw/zinc/83/56/70/496835670.db2.gz XTCPJGYRICDQOZ-RXVVDRJESA-N 1 3 361.493 3.410 20 0 FGADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCCN(C)C)cc1 ZINC000273615836 496853916 /nfs/dbraw/zinc/85/39/16/496853916.db2.gz XJSUAHXKVNSTLW-OALUTQOASA-N 1 3 352.544 3.011 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264312641 496869525 /nfs/dbraw/zinc/86/95/25/496869525.db2.gz NZXBNFKMWVSQLU-NRFANRHFSA-N 1 3 365.521 3.043 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264312641 496869529 /nfs/dbraw/zinc/86/95/29/496869529.db2.gz NZXBNFKMWVSQLU-NRFANRHFSA-N 1 3 365.521 3.043 20 0 FGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988822 496940394 /nfs/dbraw/zinc/94/03/94/496940394.db2.gz JCYNVROJVUMJKU-MAUKXSAKSA-N 1 3 357.523 3.296 20 0 FGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988822 496940399 /nfs/dbraw/zinc/94/03/99/496940399.db2.gz JCYNVROJVUMJKU-MAUKXSAKSA-N 1 3 357.523 3.296 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000248464512 497022356 /nfs/dbraw/zinc/02/23/56/497022356.db2.gz ZKWADCMPYIHWMF-IWMITWMQSA-N 1 3 359.514 3.064 20 0 FGADHO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](N)c1ccccc1 ZINC000236625426 497122545 /nfs/dbraw/zinc/12/25/45/497122545.db2.gz UOYRAHYRBUROBF-SVFBPWRDSA-N 1 3 357.542 3.293 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249032242 497151642 /nfs/dbraw/zinc/15/16/42/497151642.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249032242 497151647 /nfs/dbraw/zinc/15/16/47/497151647.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 1 3 374.573 3.126 20 0 FGADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236903587 497165907 /nfs/dbraw/zinc/16/59/07/497165907.db2.gz VRIZSFKEYWYDGX-CTNGQTDRSA-N 1 3 371.569 3.383 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000237009650 497179935 /nfs/dbraw/zinc/17/99/35/497179935.db2.gz OHQBJAXALHPEHR-KRWDZBQOSA-N 1 3 372.557 3.101 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000192810722 497220350 /nfs/dbraw/zinc/22/03/50/497220350.db2.gz HPOMKWZQOCBKDZ-OAQYLSRUSA-N 1 3 366.509 3.015 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555525 497220732 /nfs/dbraw/zinc/22/07/32/497220732.db2.gz LTLKFTPHVGYGHL-ICSRJNTNSA-N 1 3 362.562 3.153 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237481321 497243265 /nfs/dbraw/zinc/24/32/65/497243265.db2.gz YTVALSUGNPLEQN-LAUBAEHRSA-N 1 3 351.494 3.418 20 0 FGADHO C[C@H](CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237503660 497248034 /nfs/dbraw/zinc/24/80/34/497248034.db2.gz QRTPNLOPWCHXCQ-HMXCVIKNSA-N 1 3 357.542 3.135 20 0 FGADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(Br)c1OC ZINC000192979492 497264955 /nfs/dbraw/zinc/26/49/55/497264955.db2.gz LXQKLONOHKYLKA-AGUYFDCRSA-N 1 3 369.303 3.181 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000252007110 497294121 /nfs/dbraw/zinc/29/41/21/497294121.db2.gz XWVMPXZMLUZFNB-UZKOGDIHSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000252007110 497294124 /nfs/dbraw/zinc/29/41/24/497294124.db2.gz XWVMPXZMLUZFNB-UZKOGDIHSA-N 1 3 372.557 3.023 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000275618655 497383870 /nfs/dbraw/zinc/38/38/70/497383870.db2.gz JEHMGRCNVUYEJE-UHFFFAOYSA-N 1 3 358.530 3.273 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000275618655 497383872 /nfs/dbraw/zinc/38/38/72/497383872.db2.gz JEHMGRCNVUYEJE-UHFFFAOYSA-N 1 3 358.530 3.273 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561288 497416189 /nfs/dbraw/zinc/41/61/89/497416189.db2.gz RLGVHIYXIWBGPU-WMQCIHAUSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702841 497436606 /nfs/dbraw/zinc/43/66/06/497436606.db2.gz LQUQOQBHQMJFBJ-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702841 497436611 /nfs/dbraw/zinc/43/66/11/497436611.db2.gz LQUQOQBHQMJFBJ-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702841 497436614 /nfs/dbraw/zinc/43/66/14/497436614.db2.gz LQUQOQBHQMJFBJ-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO CN1CC=C(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000271901257 497482344 /nfs/dbraw/zinc/48/23/44/497482344.db2.gz GTACKYDFXVVIEX-UHFFFAOYSA-N 1 3 356.514 3.098 20 0 FGADHO CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261987059 497487481 /nfs/dbraw/zinc/48/74/81/497487481.db2.gz XMFMUNOFAGGYKW-SXLOBPIMSA-N 1 3 355.526 3.060 20 0 FGADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000193887604 497511733 /nfs/dbraw/zinc/51/17/33/497511733.db2.gz GRZWYACZLACAFY-JRSUCEMESA-N 1 3 356.510 3.218 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000245749069 497526876 /nfs/dbraw/zinc/52/68/76/497526876.db2.gz XCPMTJZSQZAQBE-CEXWTWQISA-N 1 3 361.574 3.268 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193972758 497535794 /nfs/dbraw/zinc/53/57/94/497535794.db2.gz ZOFODQBOPOIJNI-OLZOCXBDSA-N 1 3 360.365 3.187 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276307502 497540394 /nfs/dbraw/zinc/54/03/94/497540394.db2.gz YCHANNRWTKALRP-GOEBONIOSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@H](NCCOCC(F)(F)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307502 497540400 /nfs/dbraw/zinc/54/04/00/497540400.db2.gz YCHANNRWTKALRP-GOEBONIOSA-N 1 3 362.411 3.404 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@@H+]1C ZINC000581126894 505916166 /nfs/dbraw/zinc/91/61/66/505916166.db2.gz FICFYIWAAPHXKR-QMMLZNLJSA-N 1 3 354.494 3.166 20 0 FGADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126894 505916167 /nfs/dbraw/zinc/91/61/67/505916167.db2.gz FICFYIWAAPHXKR-QMMLZNLJSA-N 1 3 354.494 3.166 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578332569 505916860 /nfs/dbraw/zinc/91/68/60/505916860.db2.gz GVKWNLHPTWFECE-UHFFFAOYSA-N 1 3 352.482 3.452 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578332569 505916863 /nfs/dbraw/zinc/91/68/63/505916863.db2.gz GVKWNLHPTWFECE-UHFFFAOYSA-N 1 3 352.482 3.452 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578336054 505917654 /nfs/dbraw/zinc/91/76/54/505917654.db2.gz CMXOBIXTWAHMCJ-HXUWFJFHSA-N 1 3 360.546 3.011 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578336054 505917656 /nfs/dbraw/zinc/91/76/56/505917656.db2.gz CMXOBIXTWAHMCJ-HXUWFJFHSA-N 1 3 360.546 3.011 20 0 FGADHO N[C@H](CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000262966917 497667847 /nfs/dbraw/zinc/66/78/47/497667847.db2.gz REBSSZFJPNTBRJ-MOPGFXCFSA-N 1 3 369.534 3.309 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCN1Cc1ccccc1 ZINC000246278399 497681091 /nfs/dbraw/zinc/68/10/91/497681091.db2.gz MHZNEGNRDOVNAB-JFHUYLGKSA-N 1 3 355.526 3.076 20 0 FGADHO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272704255 497707950 /nfs/dbraw/zinc/70/79/50/497707950.db2.gz ZVHVAFRUBWKGRW-XMSQKQJNSA-N 1 3 365.521 3.437 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924571 /nfs/dbraw/zinc/92/45/71/505924571.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 1 3 372.538 3.234 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924575 /nfs/dbraw/zinc/92/45/75/505924575.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 1 3 372.538 3.234 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735368 497715272 /nfs/dbraw/zinc/71/52/72/497715272.db2.gz JQVDMSSUFPNJBS-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000272735368 497715276 /nfs/dbraw/zinc/71/52/76/497715276.db2.gz JQVDMSSUFPNJBS-NFBKMPQASA-N 1 3 366.505 3.429 20 0 FGADHO COC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000277082605 497737043 /nfs/dbraw/zinc/73/70/43/497737043.db2.gz UIWNWOBSCJAIFK-UHFFFAOYSA-N 1 3 366.933 3.337 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229248 497783490 /nfs/dbraw/zinc/78/34/90/497783490.db2.gz OPARCIWBONVAAF-KFKAGJAMSA-N 1 3 354.922 3.195 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229248 497783492 /nfs/dbraw/zinc/78/34/92/497783492.db2.gz OPARCIWBONVAAF-KFKAGJAMSA-N 1 3 354.922 3.195 20 0 FGADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608025 497787865 /nfs/dbraw/zinc/78/78/65/497787865.db2.gz WPDHAAVPTKDPCJ-CMKODMSKSA-N 1 3 360.546 3.069 20 0 FGADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246608025 497787869 /nfs/dbraw/zinc/78/78/69/497787869.db2.gz WPDHAAVPTKDPCJ-CMKODMSKSA-N 1 3 360.546 3.069 20 0 FGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000578445465 505941420 /nfs/dbraw/zinc/94/14/20/505941420.db2.gz DKKNRRALQHLNGW-OAQYLSRUSA-N 1 3 366.509 3.237 20 0 FGADHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500164 505955587 /nfs/dbraw/zinc/95/55/87/505955587.db2.gz OWLUARAZEXLYLO-GOTSBHOMSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500164 505955590 /nfs/dbraw/zinc/95/55/90/505955590.db2.gz OWLUARAZEXLYLO-GOTSBHOMSA-N 1 3 352.522 3.482 20 0 FGADHO O[C@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500164 505955593 /nfs/dbraw/zinc/95/55/93/505955593.db2.gz OWLUARAZEXLYLO-GOTSBHOMSA-N 1 3 352.522 3.482 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc2c1CCNC2 ZINC000569574698 505968817 /nfs/dbraw/zinc/96/88/17/505968817.db2.gz JANHODVFRJQFQV-UHFFFAOYSA-N 1 3 364.493 3.250 20 0 FGADHO NCc1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000364773274 498137286 /nfs/dbraw/zinc/13/72/86/498137286.db2.gz CWUJGBVZORCPJS-UHFFFAOYSA-N 1 3 366.387 3.142 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000281601296 498208927 /nfs/dbraw/zinc/20/89/27/498208927.db2.gz MGACJARNBYCAKU-SLFFLAALSA-N 1 3 362.489 3.179 20 0 FGADHO CN1CC[NH+](CC2CCN(Cc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000578698696 505999806 /nfs/dbraw/zinc/99/98/06/505999806.db2.gz FIZZTZCFVXPDMT-UHFFFAOYSA-N 1 3 371.569 3.467 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000281753448 498258255 /nfs/dbraw/zinc/25/82/55/498258255.db2.gz WAEKZFKSHXMFAI-RXVVDRJESA-N 1 3 370.468 3.178 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000281753448 498258265 /nfs/dbraw/zinc/25/82/65/498258265.db2.gz WAEKZFKSHXMFAI-RXVVDRJESA-N 1 3 370.468 3.178 20 0 FGADHO NC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc2ccccc2c1 ZINC000578730484 506007378 /nfs/dbraw/zinc/00/73/78/506007378.db2.gz FYYIOPXUNPBXNG-RTWAWAEBSA-N 1 3 366.509 3.109 20 0 FGADHO CN(Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474073 498279016 /nfs/dbraw/zinc/27/90/16/498279016.db2.gz YAIJRHIVCZQTFL-LJQANCHMSA-N 1 3 372.488 3.081 20 0 FGADHO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289799214 498298112 /nfs/dbraw/zinc/29/81/12/498298112.db2.gz SFKRKEFFPMAKGP-PBASOCQRSA-N 1 3 368.525 3.233 20 0 FGADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)c(OCc2cccnc2)c1 ZINC000578831299 506030279 /nfs/dbraw/zinc/03/02/79/506030279.db2.gz AMSNXWRXTMPTIT-KRWDZBQOSA-N 1 3 355.482 3.101 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282244656 498436758 /nfs/dbraw/zinc/43/67/58/498436758.db2.gz QCRADLONSHWVBA-OAQYLSRUSA-N 1 3 358.526 3.082 20 0 FGADHO O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000572725631 506037586 /nfs/dbraw/zinc/03/75/86/506037586.db2.gz VYKQTJMYNUMJOQ-UHFFFAOYSA-N 1 3 369.553 3.319 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294676 498499456 /nfs/dbraw/zinc/49/94/56/498499456.db2.gz YETYAZXASSMTRW-ICSRJNTNSA-N 1 3 355.530 3.294 20 0 FGADHO Cc1cc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc(C)c1O ZINC000290298487 498501132 /nfs/dbraw/zinc/50/11/32/498501132.db2.gz HPVPRJBPZJZAMH-UHFFFAOYSA-N 1 3 354.494 3.256 20 0 FGADHO C[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(C)Cc1ccccc1 ZINC000569910482 506045131 /nfs/dbraw/zinc/04/51/31/506045131.db2.gz LSWOYGSMWKPRFR-OAHLLOKOSA-N 1 3 370.472 3.113 20 0 FGADHO COc1cc(OC)cc(OCCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297598845 498507699 /nfs/dbraw/zinc/50/76/99/498507699.db2.gz JUUMFKZFZXGABI-UHFFFAOYSA-N 1 3 371.481 3.126 20 0 FGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431882 498509911 /nfs/dbraw/zinc/50/99/11/498509911.db2.gz HNICGMFWSFIAFT-MOPGFXCFSA-N 1 3 356.510 3.363 20 0 FGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431882 498509915 /nfs/dbraw/zinc/50/99/15/498509915.db2.gz HNICGMFWSFIAFT-MOPGFXCFSA-N 1 3 356.510 3.363 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](CN)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000572759845 506045989 /nfs/dbraw/zinc/04/59/89/506045989.db2.gz UYKQILDHQKYKMA-KAGYGMCKSA-N 1 3 365.521 3.146 20 0 FGADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](CN)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572759845 506045993 /nfs/dbraw/zinc/04/59/93/506045993.db2.gz UYKQILDHQKYKMA-KAGYGMCKSA-N 1 3 365.521 3.146 20 0 FGADHO COCCC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448322 498516908 /nfs/dbraw/zinc/51/69/08/498516908.db2.gz UYFDDVOELLLRFR-YLJYHZDGSA-N 1 3 352.494 3.384 20 0 FGADHO COCCC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448322 498516910 /nfs/dbraw/zinc/51/69/10/498516910.db2.gz UYFDDVOELLLRFR-YLJYHZDGSA-N 1 3 352.494 3.384 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000282482407 498529567 /nfs/dbraw/zinc/52/95/67/498529567.db2.gz WXQXDOXALVWMPG-HZPDHXFCSA-N 1 3 360.571 3.404 20 0 FGADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939595 506055719 /nfs/dbraw/zinc/05/57/19/506055719.db2.gz GZHRHZGIOSBFMZ-OAHLLOKOSA-N 1 3 354.441 3.460 20 0 FGADHO Cn1cc([C@@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)cn1 ZINC000297816718 498577486 /nfs/dbraw/zinc/57/74/86/498577486.db2.gz YPSGZHNKSLPNTO-NRFANRHFSA-N 1 3 365.456 3.302 20 0 FGADHO COC(=O)c1csc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)n1 ZINC000365807036 498649538 /nfs/dbraw/zinc/64/95/38/498649538.db2.gz RQHBTBMZEZVNPJ-ALOPSCKCSA-N 1 3 371.506 3.312 20 0 FGADHO COCCCOc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298055943 498651392 /nfs/dbraw/zinc/65/13/92/498651392.db2.gz JJYKBDAPXUPSGA-UHFFFAOYSA-N 1 3 355.482 3.256 20 0 FGADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572857717 506069163 /nfs/dbraw/zinc/06/91/63/506069163.db2.gz ROTQSHMIRFKFOI-QUCCMNQESA-N 1 3 360.546 3.069 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303461127 498677192 /nfs/dbraw/zinc/67/71/92/498677192.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000303461127 498677201 /nfs/dbraw/zinc/67/72/01/498677201.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 1 3 374.573 3.317 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175158 498686389 /nfs/dbraw/zinc/68/63/89/498686389.db2.gz OQIFDWLXLSNQJL-PBWTXFEYSA-N 1 3 362.514 3.244 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175158 498686395 /nfs/dbraw/zinc/68/63/95/498686395.db2.gz OQIFDWLXLSNQJL-PBWTXFEYSA-N 1 3 362.514 3.244 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175159 498686453 /nfs/dbraw/zinc/68/64/53/498686453.db2.gz OQIFDWLXLSNQJL-RNIPGJKVSA-N 1 3 362.514 3.244 20 0 FGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175159 498686459 /nfs/dbraw/zinc/68/64/59/498686459.db2.gz OQIFDWLXLSNQJL-RNIPGJKVSA-N 1 3 362.514 3.244 20 0 FGADHO CCOc1ccc(OCC[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363202861 498701755 /nfs/dbraw/zinc/70/17/55/498701755.db2.gz YVPRHHDRVUYNPG-UHFFFAOYSA-N 1 3 362.514 3.039 20 0 FGADHO CCOc1ccc(OCC[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363202861 498701756 /nfs/dbraw/zinc/70/17/56/498701756.db2.gz YVPRHHDRVUYNPG-UHFFFAOYSA-N 1 3 362.514 3.039 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366001225 498726861 /nfs/dbraw/zinc/72/68/61/498726861.db2.gz NUFVMKNMCIRPCO-HNAYVOBHSA-N 1 3 357.523 3.233 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000366001225 498726867 /nfs/dbraw/zinc/72/68/67/498726867.db2.gz NUFVMKNMCIRPCO-HNAYVOBHSA-N 1 3 357.523 3.233 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646345 498761403 /nfs/dbraw/zinc/76/14/03/498761403.db2.gz KELQXAPHWQXEOM-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646345 498761412 /nfs/dbraw/zinc/76/14/12/498761412.db2.gz KELQXAPHWQXEOM-FCHUYYIVSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646356 498761693 /nfs/dbraw/zinc/76/16/93/498761693.db2.gz KELQXAPHWQXEOM-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646356 498761696 /nfs/dbraw/zinc/76/16/96/498761696.db2.gz KELQXAPHWQXEOM-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000312938479 498763050 /nfs/dbraw/zinc/76/30/50/498763050.db2.gz PCVPIXSGTWLFJP-NRFANRHFSA-N 1 3 365.521 3.438 20 0 FGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(=O)OC)cc1 ZINC000294666968 498767071 /nfs/dbraw/zinc/76/70/71/498767071.db2.gz HNNFFPMPSBSXMF-ACRUOGEOSA-N 1 3 374.525 3.282 20 0 FGADHO C[C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)[C@H](N)c1ccccc1 ZINC000366336204 498879434 /nfs/dbraw/zinc/87/94/34/498879434.db2.gz ZJPXAHZUMSVAKN-RXVVDRJESA-N 1 3 357.542 3.293 20 0 FGADHO CN1CCC([NH+]2CCC(CCNCc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000363660578 498928658 /nfs/dbraw/zinc/92/86/58/498928658.db2.gz FWOLPJIPWTYEOY-UHFFFAOYSA-N 1 3 369.475 3.390 20 0 FGADHO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000291422622 498934315 /nfs/dbraw/zinc/93/43/15/498934315.db2.gz ICWXHUFJQAKCOL-UXHICEINSA-N 1 3 359.420 3.448 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000366507374 498957245 /nfs/dbraw/zinc/95/72/45/498957245.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 1 3 355.526 3.126 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000366507374 498957252 /nfs/dbraw/zinc/95/72/52/498957252.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 1 3 355.526 3.126 20 0 FGADHO C(CN1CCCC2(CCC[N@H+](CC[C@@H]3CCCO3)C2)C1)[C@@H]1CCCO1 ZINC000579217070 506121773 /nfs/dbraw/zinc/12/17/73/506121773.db2.gz ZQYJXZQOERKYKK-AHTKWCMKSA-N 1 3 350.547 3.303 20 0 FGADHO C(CN1CCCC2(CCC[N@@H+](CC[C@@H]3CCCO3)C2)C1)[C@@H]1CCCO1 ZINC000579217070 506121775 /nfs/dbraw/zinc/12/17/75/506121775.db2.gz ZQYJXZQOERKYKK-AHTKWCMKSA-N 1 3 350.547 3.303 20 0 FGADHO C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000284309200 499086916 /nfs/dbraw/zinc/08/69/16/499086916.db2.gz JIHNEAKOTLQIIJ-CQSZACIVSA-N 1 3 365.424 3.474 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000291865742 499088259 /nfs/dbraw/zinc/08/82/59/499088259.db2.gz GZWORDBRFQLICD-RXVVDRJESA-N 1 3 357.542 3.230 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291865742 499088265 /nfs/dbraw/zinc/08/82/65/499088265.db2.gz GZWORDBRFQLICD-RXVVDRJESA-N 1 3 357.542 3.230 20 0 FGADHO COCCC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCCCC1 ZINC000364113458 499117739 /nfs/dbraw/zinc/11/77/39/499117739.db2.gz DUFJIHHIFDIWDG-UHFFFAOYSA-N 1 3 365.606 3.323 20 0 FGADHO C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071756 499143726 /nfs/dbraw/zinc/14/37/26/499143726.db2.gz CLPDRQPWJHGOLU-NZQKXSOJSA-N 1 3 371.569 3.226 20 0 FGADHO C[C@H]1CCC[N@H+]1C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000367071756 499143727 /nfs/dbraw/zinc/14/37/27/499143727.db2.gz CLPDRQPWJHGOLU-NZQKXSOJSA-N 1 3 371.569 3.226 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000367245958 499167770 /nfs/dbraw/zinc/16/77/70/499167770.db2.gz HZUMZYUVXDEATI-JXFKEZNVSA-N 1 3 373.541 3.389 20 0 FGADHO COc1cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc(OC)c1O ZINC000367308966 499178145 /nfs/dbraw/zinc/17/81/45/499178145.db2.gz RWCXAWMZMKUVEA-UHFFFAOYSA-N 1 3 371.481 3.153 20 0 FGADHO COc1cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc(OC)c1O ZINC000367308966 499178146 /nfs/dbraw/zinc/17/81/46/499178146.db2.gz RWCXAWMZMKUVEA-UHFFFAOYSA-N 1 3 371.481 3.153 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615369 499235731 /nfs/dbraw/zinc/23/57/31/499235731.db2.gz CDRUWTPRRQXFFL-DVWBAYGPSA-N 1 3 364.505 3.382 20 0 FGADHO COCC[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615369 499235733 /nfs/dbraw/zinc/23/57/33/499235733.db2.gz CDRUWTPRRQXFFL-DVWBAYGPSA-N 1 3 364.505 3.382 20 0 FGADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625479 499236730 /nfs/dbraw/zinc/23/67/30/499236730.db2.gz YLNVFFIVDRCBSG-HUUCEWRRSA-N 1 3 366.347 3.268 20 0 FGADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Br ZINC000370625479 499236732 /nfs/dbraw/zinc/23/67/32/499236732.db2.gz YLNVFFIVDRCBSG-HUUCEWRRSA-N 1 3 366.347 3.268 20 0 FGADHO CN(C)C(=O)[C@H](c1ccccc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885828 499241853 /nfs/dbraw/zinc/24/18/53/499241853.db2.gz MWUHXZUMCIBYAM-NRFANRHFSA-N 1 3 366.509 3.059 20 0 FGADHO C[C@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCO1 ZINC000370730543 499249246 /nfs/dbraw/zinc/24/92/46/499249246.db2.gz OYRGDLAATPHQIK-SNJCGAMXSA-N 1 3 371.569 3.273 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367995219 499253171 /nfs/dbraw/zinc/25/31/71/499253171.db2.gz YDTRPUACEGBEEW-OHQAAIJDSA-N 1 3 362.489 3.301 20 0 FGADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367995219 499253173 /nfs/dbraw/zinc/25/31/73/499253173.db2.gz YDTRPUACEGBEEW-OHQAAIJDSA-N 1 3 362.489 3.301 20 0 FGADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC(C)C ZINC000576368679 506141557 /nfs/dbraw/zinc/14/15/57/506141557.db2.gz QMSBYEKYGJDBAK-GHTZIAJQSA-N 1 3 362.514 3.201 20 0 FGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649619 499317285 /nfs/dbraw/zinc/31/72/85/499317285.db2.gz HCDAJYIUHZVXNU-UXPWSPDFSA-N 1 3 374.525 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000368649619 499317286 /nfs/dbraw/zinc/31/72/86/499317286.db2.gz HCDAJYIUHZVXNU-UXPWSPDFSA-N 1 3 374.525 3.311 20 0 FGADHO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514898 499336830 /nfs/dbraw/zinc/33/68/30/499336830.db2.gz QTEMSFAKMBODGT-SCWSEQNSSA-N 1 3 362.481 3.006 20 0 FGADHO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514898 499336831 /nfs/dbraw/zinc/33/68/31/499336831.db2.gz QTEMSFAKMBODGT-SCWSEQNSSA-N 1 3 362.481 3.006 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000372434615 499434572 /nfs/dbraw/zinc/43/45/72/499434572.db2.gz DARGQWRXSVXWSH-UHFFFAOYSA-N 1 3 373.541 3.108 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626614 499542367 /nfs/dbraw/zinc/54/23/67/499542367.db2.gz MEOAFJBDLVVUMG-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626614 499542369 /nfs/dbraw/zinc/54/23/69/499542369.db2.gz MEOAFJBDLVVUMG-KSEOMHKRSA-N 1 3 368.521 3.377 20 0 FGADHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COc1ccccc1 ZINC000380852678 499543950 /nfs/dbraw/zinc/54/39/50/499543950.db2.gz CNDHNLOOIKWDFU-YADHBBJMSA-N 1 3 368.521 3.318 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383333880 499546641 /nfs/dbraw/zinc/54/66/41/499546641.db2.gz ZWZCVGYFYDKZCV-HFSMHLIXSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383333880 499546643 /nfs/dbraw/zinc/54/66/43/499546643.db2.gz ZWZCVGYFYDKZCV-HFSMHLIXSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333880 499546645 /nfs/dbraw/zinc/54/66/45/499546645.db2.gz ZWZCVGYFYDKZCV-HFSMHLIXSA-N 1 3 372.484 3.066 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688289 499555162 /nfs/dbraw/zinc/55/51/62/499555162.db2.gz ZMYNRXFVWIXVOL-CEMLEFRQSA-N 1 3 359.558 3.178 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC1CCCCC1 ZINC000398058004 499566009 /nfs/dbraw/zinc/56/60/09/499566009.db2.gz LSIGCNMFHVKYLH-JRGCBEDISA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC1CCCCC1 ZINC000398058004 499566011 /nfs/dbraw/zinc/56/60/11/499566011.db2.gz LSIGCNMFHVKYLH-JRGCBEDISA-N 1 3 357.542 3.311 20 0 FGADHO CN1c2ccc(CN3CCC4(C[C@@H]4C[N@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325932 499600722 /nfs/dbraw/zinc/60/07/22/499600722.db2.gz UEGJYPFTPJPVOW-LJQANCHMSA-N 1 3 367.537 3.292 20 0 FGADHO CN1c2ccc(CN3CCC4(C[C@@H]4C[N@@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325932 499600723 /nfs/dbraw/zinc/60/07/23/499600723.db2.gz UEGJYPFTPJPVOW-LJQANCHMSA-N 1 3 367.537 3.292 20 0 FGADHO Cc1ccc(NC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000376649279 499626069 /nfs/dbraw/zinc/62/60/69/499626069.db2.gz RRHPVDWTOOOADM-UHFFFAOYSA-N 1 3 358.574 3.287 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355893 499657325 /nfs/dbraw/zinc/65/73/25/499657325.db2.gz AGZHTSJZLAOOGU-ROUUACIJSA-N 1 3 359.514 3.405 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355893 499657327 /nfs/dbraw/zinc/65/73/27/499657327.db2.gz AGZHTSJZLAOOGU-ROUUACIJSA-N 1 3 359.514 3.405 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC000377522369 499700071 /nfs/dbraw/zinc/70/00/71/499700071.db2.gz DKPCLCLOUMJRQN-UHFFFAOYSA-N 1 3 358.574 3.003 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC000377522369 499700072 /nfs/dbraw/zinc/70/00/72/499700072.db2.gz DKPCLCLOUMJRQN-UHFFFAOYSA-N 1 3 358.574 3.003 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 ZINC000411476183 499745632 /nfs/dbraw/zinc/74/56/32/499745632.db2.gz GNBUVXYDGPGUSX-BOUXLOLZSA-N 1 3 363.933 3.227 20 0 FGADHO CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558927 499763133 /nfs/dbraw/zinc/76/31/33/499763133.db2.gz MQCOVKUEJSLFRX-RTWAWAEBSA-N 1 3 374.525 3.215 20 0 FGADHO CC(C)Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414183681 499766576 /nfs/dbraw/zinc/76/65/76/499766576.db2.gz FHSPRGQEJNGAPF-HXUWFJFHSA-N 1 3 373.585 3.332 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000414294444 499775022 /nfs/dbraw/zinc/77/50/22/499775022.db2.gz QCGWPUPVBUZUGQ-IRMYBRCSSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000414294444 499775024 /nfs/dbraw/zinc/77/50/24/499775024.db2.gz QCGWPUPVBUZUGQ-IRMYBRCSSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000414294444 499775025 /nfs/dbraw/zinc/77/50/25/499775025.db2.gz QCGWPUPVBUZUGQ-IRMYBRCSSA-N 1 3 368.496 3.402 20 0 FGADHO OC1(C[NH2+]C2CCC(C(F)F)CC2)CCN(Cc2ccccc2)CC1 ZINC000414297757 499775377 /nfs/dbraw/zinc/77/53/77/499775377.db2.gz GNRRNZWSHFXJHV-UHFFFAOYSA-N 1 3 352.469 3.427 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340314 499779409 /nfs/dbraw/zinc/77/94/09/499779409.db2.gz GVONVCFCXICUTL-LMNJBCLMSA-N 1 3 363.521 3.131 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340314 499779410 /nfs/dbraw/zinc/77/94/10/499779410.db2.gz GVONVCFCXICUTL-LMNJBCLMSA-N 1 3 363.521 3.131 20 0 FGADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC/C=C/c1ccncc1 ZINC000414521350 499802668 /nfs/dbraw/zinc/80/26/68/499802668.db2.gz BPINCMFADBFLJM-GOQZIQLPSA-N 1 3 351.494 3.222 20 0 FGADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC/C=C/c1ccncc1 ZINC000414521350 499802670 /nfs/dbraw/zinc/80/26/70/499802670.db2.gz BPINCMFADBFLJM-GOQZIQLPSA-N 1 3 351.494 3.222 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414798460 499832582 /nfs/dbraw/zinc/83/25/82/499832582.db2.gz JDUJQSDXVGOVNX-VKJFTORMSA-N 1 3 351.922 3.184 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414798460 499832583 /nfs/dbraw/zinc/83/25/83/499832583.db2.gz JDUJQSDXVGOVNX-VKJFTORMSA-N 1 3 351.922 3.184 20 0 FGADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414808180 499833182 /nfs/dbraw/zinc/83/31/82/499833182.db2.gz RXTVTPRKNJBJKR-GXTWGEPZSA-N 1 3 357.292 3.073 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414812152 499833754 /nfs/dbraw/zinc/83/37/54/499833754.db2.gz WXUDFNZWSBOVSX-WWGRRREGSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414812152 499833755 /nfs/dbraw/zinc/83/37/55/499833755.db2.gz WXUDFNZWSBOVSX-WWGRRREGSA-N 1 3 368.319 3.273 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(N)CCCCC1 ZINC000414841035 499836551 /nfs/dbraw/zinc/83/65/51/499836551.db2.gz KWRDNCCRSSMYBZ-OAHLLOKOSA-N 1 3 372.513 3.003 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](CN)CC(C)C)c2)cc1 ZINC000414856941 499838631 /nfs/dbraw/zinc/83/86/31/499838631.db2.gz ZTCVMEARBCFFMH-IBGZPJMESA-N 1 3 355.482 3.411 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3NCCc4ccccc43)CC2)cc1 ZINC000414950698 499847967 /nfs/dbraw/zinc/84/79/67/499847967.db2.gz FUGBFLOZFJJYTI-QHCPKHFHSA-N 1 3 367.512 3.309 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412382240 499850380 /nfs/dbraw/zinc/85/03/80/499850380.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412382240 499850382 /nfs/dbraw/zinc/85/03/82/499850382.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 1 3 357.542 3.231 20 0 FGADHO CC[C@H](C(=O)N1CCC(N[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000415099328 499863254 /nfs/dbraw/zinc/86/32/54/499863254.db2.gz GTCFOVGIDKTONH-YYWHXJBOSA-N 1 3 357.542 3.291 20 0 FGADHO [NH3+]CC1(O)CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000415147322 499870461 /nfs/dbraw/zinc/87/04/61/499870461.db2.gz HLYNDFVQLZOONW-DAXSKMNVSA-N 1 3 352.478 3.064 20 0 FGADHO C[C@]1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[NH2+]C1 ZINC000415302321 499884875 /nfs/dbraw/zinc/88/48/75/499884875.db2.gz CBUCVQYANHJVGX-NRFANRHFSA-N 1 3 374.529 3.063 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCC3)c1 ZINC000415880477 499923672 /nfs/dbraw/zinc/92/36/72/499923672.db2.gz FQOCEJYQEBANQA-UHFFFAOYSA-N 1 3 366.509 3.496 20 0 FGADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCC3)c1 ZINC000415881243 499923936 /nfs/dbraw/zinc/92/39/36/499923936.db2.gz HXGUKQMJHRUFPV-UHFFFAOYSA-N 1 3 352.482 3.106 20 0 FGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCC3)c1 ZINC000415881243 499923937 /nfs/dbraw/zinc/92/39/37/499923937.db2.gz HXGUKQMJHRUFPV-UHFFFAOYSA-N 1 3 352.482 3.106 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000415935995 499930548 /nfs/dbraw/zinc/93/05/48/499930548.db2.gz UTIPISIIULLJFF-UZLBHIALSA-N 1 3 352.482 3.048 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954619 499932907 /nfs/dbraw/zinc/93/29/07/499932907.db2.gz KXFLEDOOJAOKHK-LRDDRELGSA-N 1 3 372.435 3.358 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954619 499932909 /nfs/dbraw/zinc/93/29/09/499932909.db2.gz KXFLEDOOJAOKHK-LRDDRELGSA-N 1 3 372.435 3.358 20 0 FGADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1F)CCNC2)Cc1ccccc1 ZINC000415961906 499933842 /nfs/dbraw/zinc/93/38/42/499933842.db2.gz SERPVZJGDPBASV-UHFFFAOYSA-N 1 3 370.472 3.115 20 0 FGADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1F)CCNC2)Cc1ccccc1 ZINC000415961906 499933844 /nfs/dbraw/zinc/93/38/44/499933844.db2.gz SERPVZJGDPBASV-UHFFFAOYSA-N 1 3 370.472 3.115 20 0 FGADHO C[NH+]1CCC(CCNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415968980 499935169 /nfs/dbraw/zinc/93/51/69/499935169.db2.gz JLIOLXNUKLBAGM-UHFFFAOYSA-N 1 3 358.408 3.018 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415968981 499935326 /nfs/dbraw/zinc/93/53/26/499935326.db2.gz JLJPCRWMPDNMBH-UHFFFAOYSA-N 1 3 360.424 3.360 20 0 FGADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@H](C)C1 ZINC000413507866 499975063 /nfs/dbraw/zinc/97/50/63/499975063.db2.gz TWDPOZCQOCBSRY-WIYYLYMNSA-N 1 3 357.542 3.475 20 0 FGADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCCC3)c2)[C@H](C)C1 ZINC000413507866 499975067 /nfs/dbraw/zinc/97/50/67/499975067.db2.gz TWDPOZCQOCBSRY-WIYYLYMNSA-N 1 3 357.542 3.475 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416252915 499995780 /nfs/dbraw/zinc/99/57/80/499995780.db2.gz PWNDAHIRCNSQMS-LJQANCHMSA-N 1 3 359.539 3.331 20 0 FGADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092368 500001856 /nfs/dbraw/zinc/00/18/56/500001856.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092368 500001862 /nfs/dbraw/zinc/00/18/62/500001862.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 1 3 372.557 3.213 20 0 FGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417211714 500006831 /nfs/dbraw/zinc/00/68/31/500006831.db2.gz GTDQKAMLJBYHNW-CEWLAPEOSA-N 1 3 372.557 3.086 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418420 500099007 /nfs/dbraw/zinc/09/90/07/500099007.db2.gz INKZPAWQTIGIAO-IBGZPJMESA-N 1 3 354.498 3.076 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000416800286 500123251 /nfs/dbraw/zinc/12/32/51/500123251.db2.gz FKAKJKNPSSUCSG-FQEVSTJZSA-N 1 3 356.514 3.258 20 0 FGADHO C[C@@H](NC[C@H](C)C[NH+]1CCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000414068930 500144145 /nfs/dbraw/zinc/14/41/45/500144145.db2.gz IVYPNRBFXILFTD-DLBZAZTESA-N 1 3 358.555 3.344 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417677519 500147015 /nfs/dbraw/zinc/14/70/15/500147015.db2.gz FVZNIKGPOAYEKY-KPFFTGBYSA-N 1 3 358.530 3.029 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000416885222 500147148 /nfs/dbraw/zinc/14/71/48/500147148.db2.gz FAFZUOGLMFUVKF-UHFFFAOYSA-N 1 3 366.509 3.131 20 0 FGADHO CON1CCC([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869848 500166985 /nfs/dbraw/zinc/16/69/85/500166985.db2.gz DRWMGXBKPMXVNK-ILWGZMRPSA-N 1 3 357.542 3.293 20 0 FGADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000417827166 500179978 /nfs/dbraw/zinc/17/99/78/500179978.db2.gz CWIYCZHVDJVQBV-HKUYNNGSSA-N 1 3 358.530 3.000 20 0 FGADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369244 506180999 /nfs/dbraw/zinc/18/09/99/506180999.db2.gz ADDVDBDAVQXSCV-FXAWDEMLSA-N 1 3 357.542 3.071 20 0 FGADHO N=C1Nc2nc3ccccc3n2[C@]2(CC[N@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301384 506181241 /nfs/dbraw/zinc/18/12/41/506181241.db2.gz DFIQYPYEIVPSMR-QFIPXVFZSA-N 1 3 372.476 3.468 20 0 FGADHO N=C1Nc2nc3ccccc3n2[C@]2(CC[N@@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301384 506181245 /nfs/dbraw/zinc/18/12/45/506181245.db2.gz DFIQYPYEIVPSMR-QFIPXVFZSA-N 1 3 372.476 3.468 20 0 FGADHO COc1ccccc1-c1ncc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077113 500188982 /nfs/dbraw/zinc/18/89/82/500188982.db2.gz GKADUIZYQDBKQZ-LJQANCHMSA-N 1 3 366.509 3.316 20 0 FGADHO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418024157 500216059 /nfs/dbraw/zinc/21/60/59/500216059.db2.gz DBAIYYOWLBFPTG-IBGZPJMESA-N 1 3 351.494 3.000 20 0 FGADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000422129988 500217436 /nfs/dbraw/zinc/21/74/36/500217436.db2.gz AICFCIDTYUBGSC-JCYILVPMSA-N 1 3 364.559 3.057 20 0 FGADHO CCCN(C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043069 500219459 /nfs/dbraw/zinc/21/94/59/500219459.db2.gz YJEUIXYKCRVSQF-OAQYLSRUSA-N 1 3 374.573 3.317 20 0 FGADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418148688 500237436 /nfs/dbraw/zinc/23/74/36/500237436.db2.gz ACQUOAWRGBBRAP-YSIASYRMSA-N 1 3 372.557 3.198 20 0 FGADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000418150120 500237754 /nfs/dbraw/zinc/23/77/54/500237754.db2.gz CDXKXLLXAUJZOS-PXNSSMCTSA-N 1 3 372.557 3.056 20 0 FGADHO CCCN(C)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175462 500242638 /nfs/dbraw/zinc/24/26/38/500242638.db2.gz FWXHRCWCAMTOOZ-YJBOKZPZSA-N 1 3 366.937 3.022 20 0 FGADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000418188927 500245702 /nfs/dbraw/zinc/24/57/02/500245702.db2.gz UYIAZZAJSVDYKA-FTRWYGJKSA-N 1 3 354.498 3.197 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)N(CC)CC)cc1 ZINC000418215422 500250704 /nfs/dbraw/zinc/25/07/04/500250704.db2.gz MXBYOKLNSQDBDL-DBVUQKKJSA-N 1 3 360.546 3.011 20 0 FGADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418251862 500255883 /nfs/dbraw/zinc/25/58/83/500255883.db2.gz XFTJMLSTQASHPM-LJQANCHMSA-N 1 3 360.546 3.056 20 0 FGADHO CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418308494 500260537 /nfs/dbraw/zinc/26/05/37/500260537.db2.gz BTNCTBOGGKXYQN-SFTDATJTSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311194 500260755 /nfs/dbraw/zinc/26/07/55/500260755.db2.gz LMRCANDHKNZKRF-FMWKFLBASA-N 1 3 372.557 3.069 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000418352607 500267267 /nfs/dbraw/zinc/26/72/67/500267267.db2.gz MUNSWDDDQYWDCW-LEWJYISDSA-N 1 3 372.557 3.470 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000418363381 500268786 /nfs/dbraw/zinc/26/87/86/500268786.db2.gz VRBICVMYJLCZDV-LSTHTHJFSA-N 1 3 358.530 3.078 20 0 FGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640706 500285462 /nfs/dbraw/zinc/28/54/62/500285462.db2.gz VVVPNGQWUXXJDM-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1CN ZINC000422640706 500285465 /nfs/dbraw/zinc/28/54/65/500285465.db2.gz VVVPNGQWUXXJDM-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1CN ZINC000422640706 500285467 /nfs/dbraw/zinc/28/54/67/500285467.db2.gz VVVPNGQWUXXJDM-MCIONIFRSA-N 1 3 368.319 3.083 20 0 FGADHO COc1cccc(OC)c1Oc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422725860 500290266 /nfs/dbraw/zinc/29/02/66/500290266.db2.gz YUIKBXGQQIMWBB-IRXDYDNUSA-N 1 3 371.481 3.498 20 0 FGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734019 500291274 /nfs/dbraw/zinc/29/12/74/500291274.db2.gz BZALKJQPVDROFO-GHTZIAJQSA-N 1 3 359.558 3.044 20 0 FGADHO C[C@H](NC1(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762255 500295212 /nfs/dbraw/zinc/29/52/12/500295212.db2.gz MKIQSFOGPDRELL-YYWHXJBOSA-N 1 3 357.542 3.007 20 0 FGADHO C[C@H]([NH2+]C1(CN[C@@H](C2CC2)[C@@H]2CNCCO2)CCCC1)c1ccccc1 ZINC000422762255 500295214 /nfs/dbraw/zinc/29/52/14/500295214.db2.gz MKIQSFOGPDRELL-YYWHXJBOSA-N 1 3 357.542 3.007 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779935 500296386 /nfs/dbraw/zinc/29/63/86/500296386.db2.gz CKEUGFHATZVXGM-HRAATJIYSA-N 1 3 352.457 3.102 20 0 FGADHO Clc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422780644 500296538 /nfs/dbraw/zinc/29/65/38/500296538.db2.gz JQBJPWFSZMNIAL-RNIPGJKVSA-N 1 3 363.933 3.056 20 0 FGADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418612766 500296709 /nfs/dbraw/zinc/29/67/09/500296709.db2.gz VYJGGFNEHVTSCS-NRSPTQNISA-N 1 3 372.557 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422779938 500296836 /nfs/dbraw/zinc/29/68/36/500296836.db2.gz CKEUGFHATZVXGM-KKSFZXQISA-N 1 3 352.457 3.102 20 0 FGADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791001 500298216 /nfs/dbraw/zinc/29/82/16/500298216.db2.gz CVJNLALDTGQCCB-JXFKEZNVSA-N 1 3 360.523 3.287 20 0 FGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422813665 500301313 /nfs/dbraw/zinc/30/13/13/500301313.db2.gz YKHHXKGTUWPYFA-CTWRKMMKSA-N 1 3 358.526 3.209 20 0 FGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1(CN2CCOCC2)CCCCC1 ZINC000422845303 500304658 /nfs/dbraw/zinc/30/46/58/500304658.db2.gz BNVSIWYRAKRNJT-QHAWAJNXSA-N 1 3 363.590 3.170 20 0 FGADHO CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418667223 500304666 /nfs/dbraw/zinc/30/46/66/500304666.db2.gz MLVJJNNDNBHOBE-SFHLNBCPSA-N 1 3 372.557 3.058 20 0 FGADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853913 500305748 /nfs/dbraw/zinc/30/57/48/500305748.db2.gz ZLJAAJVEMZXKAV-GUDVDZBRSA-N 1 3 351.604 3.248 20 0 FGADHO CCCOc1cc(C)ccc1CN[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422875136 500309036 /nfs/dbraw/zinc/30/90/36/500309036.db2.gz OKFMUMSGRQBNHQ-KRWDZBQOSA-N 1 3 362.514 3.195 20 0 FGADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422877578 500309754 /nfs/dbraw/zinc/30/97/54/500309754.db2.gz IBXNTEPDAWGLAJ-BZUAXINKSA-N 1 3 354.441 3.349 20 0 FGADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430935347 500309901 /nfs/dbraw/zinc/30/99/01/500309901.db2.gz POGLSMNVEYGOGL-IXDOHACOSA-N 1 3 353.510 3.465 20 0 FGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884057 500310157 /nfs/dbraw/zinc/31/01/57/500310157.db2.gz RNHZPLHZZFXWIG-NHCUHLMSSA-N 1 3 367.493 3.454 20 0 FGADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418711624 500310636 /nfs/dbraw/zinc/31/06/36/500310636.db2.gz WNLHCNPYIWDKRC-ABSDTBQOSA-N 1 3 372.557 3.054 20 0 FGADHO Cc1ccc(CCC2CCN(C(=O)CN3CCC([C@@H](C)[NH3+])CC3)CC2)cc1 ZINC000430949909 500312444 /nfs/dbraw/zinc/31/24/44/500312444.db2.gz FJHBDLOHYDSTDV-LJQANCHMSA-N 1 3 371.569 3.225 20 0 FGADHO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422901356 500313886 /nfs/dbraw/zinc/31/38/86/500313886.db2.gz BVBRREIYLJMUFM-WMLDXEAASA-N 1 3 374.916 3.440 20 0 FGADHO COc1cccc(N2CC[C@H](CN[C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422907341 500314377 /nfs/dbraw/zinc/31/43/77/500314377.db2.gz XAXVPJKMFPAYOS-LRXVAGHRSA-N 1 3 353.510 3.070 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905336 500314781 /nfs/dbraw/zinc/31/47/81/500314781.db2.gz HVLBOFRABVMDAJ-MVJPYGJCSA-N 1 3 365.949 3.036 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000422905336 500314784 /nfs/dbraw/zinc/31/47/84/500314784.db2.gz HVLBOFRABVMDAJ-MVJPYGJCSA-N 1 3 365.949 3.036 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1ccccc1C(F)(F)F ZINC000422920525 500317151 /nfs/dbraw/zinc/31/71/51/500317151.db2.gz MWCKRSTYWMPKRA-IXYNUQLISA-N 1 3 360.420 3.205 20 0 FGADHO COc1cc(Br)c(CNC2CCC(C[NH3+])CC2)cc1OC ZINC000422946267 500321803 /nfs/dbraw/zinc/32/18/03/500321803.db2.gz OPBKIWZDNMFRSM-UHFFFAOYSA-N 1 3 357.292 3.073 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)c1ccccc1Br ZINC000422996416 500328305 /nfs/dbraw/zinc/32/83/05/500328305.db2.gz LXQLNDYHDFNHLI-WOSRLPQWSA-N 1 3 355.320 3.069 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)c1ccccc1Br ZINC000422996416 500328306 /nfs/dbraw/zinc/32/83/06/500328306.db2.gz LXQLNDYHDFNHLI-WOSRLPQWSA-N 1 3 355.320 3.069 20 0 FGADHO CN1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021239 500332081 /nfs/dbraw/zinc/33/20/81/500332081.db2.gz DTLYNFSVZFCAJE-HPFCBLIXSA-N 1 3 351.897 3.345 20 0 FGADHO Clc1ccc(COCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000423026801 500332249 /nfs/dbraw/zinc/33/22/49/500332249.db2.gz OEKBXGMQYAQKMA-RYQLBKOJSA-N 1 3 373.324 3.257 20 0 FGADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025135 500332568 /nfs/dbraw/zinc/33/25/68/500332568.db2.gz KTJMEJQFMIKPSM-AAIMPIBUSA-N 1 3 365.521 3.352 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423035662 500333892 /nfs/dbraw/zinc/33/38/92/500333892.db2.gz SFYZKYHIRRCAGS-HNAYVOBHSA-N 1 3 368.456 3.356 20 0 FGADHO FC(F)(F)c1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423063375 500337175 /nfs/dbraw/zinc/33/71/75/500337175.db2.gz WGAYSOSXCRAHEA-OKZBNKHCSA-N 1 3 368.443 3.484 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423068143 500338050 /nfs/dbraw/zinc/33/80/50/500338050.db2.gz AZICYJXNPQHQKT-LBPRGKRZSA-N 1 3 368.403 3.382 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093048 500341258 /nfs/dbraw/zinc/34/12/58/500341258.db2.gz FNBCYGZJFSTGPE-OKDJTYDRSA-N 1 3 371.294 3.176 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093048 500341260 /nfs/dbraw/zinc/34/12/60/500341260.db2.gz FNBCYGZJFSTGPE-OKDJTYDRSA-N 1 3 371.294 3.176 20 0 FGADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423117484 500344781 /nfs/dbraw/zinc/34/47/81/500344781.db2.gz VRMNIASIVOFPOS-MYGLTJDJSA-N 1 3 369.553 3.121 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134439 500347394 /nfs/dbraw/zinc/34/73/94/500347394.db2.gz RWMUMSADFGOJFV-ZQIUZPCESA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccccc2Br)CCC1 ZINC000423134439 500347395 /nfs/dbraw/zinc/34/73/95/500347395.db2.gz RWMUMSADFGOJFV-ZQIUZPCESA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCNCc1cccnc1 ZINC000423187787 500353055 /nfs/dbraw/zinc/35/30/55/500353055.db2.gz MTMMUADAGLRAJO-SIKLNZKXSA-N 1 3 352.526 3.062 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423360355 500367774 /nfs/dbraw/zinc/36/77/74/500367774.db2.gz LHJOPGKPCXBYEB-FXAWDEMLSA-N 1 3 351.494 3.014 20 0 FGADHO Cc1nc(C(C)C)sc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399699 500370623 /nfs/dbraw/zinc/37/06/23/500370623.db2.gz WOLIPPHMLCIPCW-WCQYABFASA-N 1 3 364.481 3.062 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423445865 500375383 /nfs/dbraw/zinc/37/53/83/500375383.db2.gz CEPSSHMCHGDVOZ-ONUMYQOESA-N 1 3 370.324 3.291 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476212 500377328 /nfs/dbraw/zinc/37/73/28/500377328.db2.gz QWZVNNUXLCFOGH-ZAAXVRCTSA-N 1 3 357.473 3.143 20 0 FGADHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000423476212 500377331 /nfs/dbraw/zinc/37/73/31/500377331.db2.gz QWZVNNUXLCFOGH-ZAAXVRCTSA-N 1 3 357.473 3.143 20 0 FGADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000573407244 506188600 /nfs/dbraw/zinc/18/86/00/506188600.db2.gz INORBAOQJZKIEN-UGKGYDQZSA-N 1 3 370.585 3.276 20 0 FGADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)c(C)c1OC ZINC000423536664 500383818 /nfs/dbraw/zinc/38/38/18/500383818.db2.gz ZWBXMENRAULKAC-RYGJVYDSSA-N 1 3 354.494 3.288 20 0 FGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423744994 500398306 /nfs/dbraw/zinc/39/83/06/500398306.db2.gz MBONJGDFGNFHJJ-MRXNPFEDSA-N 1 3 351.922 3.010 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423845238 500411180 /nfs/dbraw/zinc/41/11/80/500411180.db2.gz JZIATOAWUXQNST-KRWDZBQOSA-N 1 3 358.530 3.023 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000431776570 500423341 /nfs/dbraw/zinc/42/33/41/500423341.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 1 3 371.569 3.418 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000431776570 500423344 /nfs/dbraw/zinc/42/33/44/500423344.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 1 3 371.569 3.418 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000431779984 500423889 /nfs/dbraw/zinc/42/38/89/500423889.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000431779984 500423893 /nfs/dbraw/zinc/42/38/93/500423893.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431782769 500424485 /nfs/dbraw/zinc/42/44/85/500424485.db2.gz FNQKMHSAIUCVLB-GOSISDBHSA-N 1 3 363.571 3.341 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000431782769 500424487 /nfs/dbraw/zinc/42/44/87/500424487.db2.gz FNQKMHSAIUCVLB-GOSISDBHSA-N 1 3 363.571 3.341 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845271 500433430 /nfs/dbraw/zinc/43/34/30/500433430.db2.gz NSWJGPIARHQCKU-HMXCVIKNSA-N 1 3 355.526 3.155 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845271 500433432 /nfs/dbraw/zinc/43/34/32/500433432.db2.gz NSWJGPIARHQCKU-HMXCVIKNSA-N 1 3 355.526 3.155 20 0 FGADHO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420297882 500435967 /nfs/dbraw/zinc/43/59/67/500435967.db2.gz DTHKXXYTMPSQRA-BLLLJJGKSA-N 1 3 356.297 3.396 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297889 500436353 /nfs/dbraw/zinc/43/63/53/500436353.db2.gz DUCKEQGCTSGLCD-AZUAARDMSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297889 500436355 /nfs/dbraw/zinc/43/63/55/500436355.db2.gz DUCKEQGCTSGLCD-AZUAARDMSA-N 1 3 368.477 3.346 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297889 500436356 /nfs/dbraw/zinc/43/63/56/500436356.db2.gz DUCKEQGCTSGLCD-AZUAARDMSA-N 1 3 368.477 3.346 20 0 FGADHO O=C(c1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1)N1CCCCC1 ZINC000420330741 500442512 /nfs/dbraw/zinc/44/25/12/500442512.db2.gz BPNQMKZSXCUMAR-OAQYLSRUSA-N 1 3 355.526 3.277 20 0 FGADHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330695 500442578 /nfs/dbraw/zinc/44/25/78/500442578.db2.gz BEMFHGNDUXRMJF-QRQLOZEOSA-N 1 3 351.494 3.488 20 0 FGADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379919 500451854 /nfs/dbraw/zinc/45/18/54/500451854.db2.gz BOKVQWIGHCLFSO-HMXCVIKNSA-N 1 3 355.526 3.034 20 0 FGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000420381883 500452134 /nfs/dbraw/zinc/45/21/34/500452134.db2.gz PFUYLYHLHAPLHC-AEFFLSMTSA-N 1 3 372.431 3.303 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420388701 500453370 /nfs/dbraw/zinc/45/33/70/500453370.db2.gz XIGGMZZGPWHWLG-IUODEOHRSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420388701 500453373 /nfs/dbraw/zinc/45/33/73/500453373.db2.gz XIGGMZZGPWHWLG-IUODEOHRSA-N 1 3 369.391 3.034 20 0 FGADHO C[C@H]1CC2(CN1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283801 500481329 /nfs/dbraw/zinc/48/13/29/500481329.db2.gz CEKQVBOKVGCPSL-IBGZPJMESA-N 1 3 369.553 3.079 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000420974311 500545676 /nfs/dbraw/zinc/54/56/76/500545676.db2.gz DFEVNSCSTHLFRB-UHFFFAOYSA-N 1 3 374.573 3.251 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000420974311 500545678 /nfs/dbraw/zinc/54/56/78/500545678.db2.gz DFEVNSCSTHLFRB-UHFFFAOYSA-N 1 3 374.573 3.251 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000420974311 500545681 /nfs/dbraw/zinc/54/56/81/500545681.db2.gz DFEVNSCSTHLFRB-UHFFFAOYSA-N 1 3 374.573 3.251 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984867 500547979 /nfs/dbraw/zinc/54/79/79/500547979.db2.gz UYUZTEGFIMYTRS-CTNGQTDRSA-N 1 3 351.579 3.074 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984867 500547980 /nfs/dbraw/zinc/54/79/80/500547980.db2.gz UYUZTEGFIMYTRS-CTNGQTDRSA-N 1 3 351.579 3.074 20 0 FGADHO CCn1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1=O ZINC000433082228 500622976 /nfs/dbraw/zinc/62/29/76/500622976.db2.gz JJZACOXGKIRLAF-WKCHPHFGSA-N 1 3 351.494 3.153 20 0 FGADHO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442869572 500637294 /nfs/dbraw/zinc/63/72/94/500637294.db2.gz DQUCUUDFGYMZJT-INIZCTEOSA-N 1 3 369.500 3.225 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cccc21 ZINC000447724781 500653709 /nfs/dbraw/zinc/65/37/09/500653709.db2.gz YHJFCIGMXAAOTC-OALUTQOASA-N 1 3 357.498 3.417 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724781 500653712 /nfs/dbraw/zinc/65/37/12/500653712.db2.gz YHJFCIGMXAAOTC-OALUTQOASA-N 1 3 357.498 3.417 20 0 FGADHO CN(C)CCOc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000433314852 500670018 /nfs/dbraw/zinc/67/00/18/500670018.db2.gz CAGMWOLJFLVRNW-FQEVSTJZSA-N 1 3 355.482 3.259 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC000433315207 500670119 /nfs/dbraw/zinc/67/01/19/500670119.db2.gz DHPMTEPTSLTWLH-HXUWFJFHSA-N 1 3 357.498 3.171 20 0 FGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000433558086 500711709 /nfs/dbraw/zinc/71/17/09/500711709.db2.gz AKLYERWYNGFWCM-NRFANRHFSA-N 1 3 370.541 3.099 20 0 FGADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636331 500748078 /nfs/dbraw/zinc/74/80/78/500748078.db2.gz AYQCVKKONGTELB-OALUTQOASA-N 1 3 357.542 3.267 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762403 /nfs/dbraw/zinc/76/24/03/500762403.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 1 3 372.557 3.194 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762405 /nfs/dbraw/zinc/76/24/05/500762405.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 1 3 372.557 3.194 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000448834680 500847271 /nfs/dbraw/zinc/84/72/71/500847271.db2.gz JZIUWSYTDARNCX-FGZHOGPDSA-N 1 3 369.553 3.245 20 0 FGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439215971 500870596 /nfs/dbraw/zinc/87/05/96/500870596.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 1 3 370.541 3.090 20 0 FGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439215971 500870598 /nfs/dbraw/zinc/87/05/98/500870598.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 1 3 370.541 3.090 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000439228611 500872321 /nfs/dbraw/zinc/87/23/21/500872321.db2.gz HPWDJQLFGLAKKB-MKXGPGLRSA-N 1 3 364.578 3.011 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439311834 500884255 /nfs/dbraw/zinc/88/42/55/500884255.db2.gz ZJPSJWMPKPAWKR-CALCHBBNSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439311834 500884260 /nfs/dbraw/zinc/88/42/60/500884260.db2.gz ZJPSJWMPKPAWKR-CALCHBBNSA-N 1 3 366.575 3.084 20 0 FGADHO C[C@]1(CCc2ccccc2)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907445 500911048 /nfs/dbraw/zinc/91/10/48/500911048.db2.gz RRJAHLNXABIUMW-QHCPKHFHSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439844139 500945068 /nfs/dbraw/zinc/94/50/68/500945068.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 1 3 369.553 3.074 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCN1C1CCCC1 ZINC000439844139 500945072 /nfs/dbraw/zinc/94/50/72/500945072.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 1 3 369.553 3.074 20 0 FGADHO CN(Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435436914 500977050 /nfs/dbraw/zinc/97/70/50/500977050.db2.gz IJDBPCSDVUTKJV-OAHLLOKOSA-N 1 3 352.404 3.465 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN1C1CCCC1 ZINC000440168731 500983313 /nfs/dbraw/zinc/98/33/13/500983313.db2.gz KTSKKXOIMCHJQI-NRFANRHFSA-N 1 3 355.526 3.306 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449357157 500985787 /nfs/dbraw/zinc/98/57/87/500985787.db2.gz BUZDFLKFJDIEGD-XJABCFGWSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449357157 500985789 /nfs/dbraw/zinc/98/57/89/500985789.db2.gz BUZDFLKFJDIEGD-XJABCFGWSA-N 1 3 356.485 3.229 20 0 FGADHO C[C@H](NC[C@@H](O)Cc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449357157 500985793 /nfs/dbraw/zinc/98/57/93/500985793.db2.gz BUZDFLKFJDIEGD-XJABCFGWSA-N 1 3 356.485 3.229 20 0 FGADHO CC1(C)CCc2ccccc2[C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000440611141 501029031 /nfs/dbraw/zinc/02/90/31/501029031.db2.gz NMUXGWNCAWNDEW-NRFANRHFSA-N 1 3 369.553 3.423 20 0 FGADHO CC[NH+](CC)CCCC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000445842040 501039813 /nfs/dbraw/zinc/03/98/13/501039813.db2.gz XRCJAUQIPBYRNU-UHFFFAOYSA-N 1 3 352.567 3.014 20 0 FGADHO C[C@@H](CC1CCCCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000446191024 501087841 /nfs/dbraw/zinc/08/78/41/501087841.db2.gz FWUOYFXPHPFHMD-KRWDZBQOSA-N 1 3 364.578 3.203 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000446940101 501183515 /nfs/dbraw/zinc/18/35/15/501183515.db2.gz RLRZPUZWNAYEKF-HXUWFJFHSA-N 1 3 371.529 3.271 20 0 FGADHO FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000446973230 501188744 /nfs/dbraw/zinc/18/87/44/501188744.db2.gz BZXUSMQHHSOETH-YESZJQIVSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000446973230 501188747 /nfs/dbraw/zinc/18/87/47/501188747.db2.gz BZXUSMQHHSOETH-YESZJQIVSA-N 1 3 374.422 3.404 20 0 FGADHO FC(F)C(F)(F)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000446973230 501188749 /nfs/dbraw/zinc/18/87/49/501188749.db2.gz BZXUSMQHHSOETH-YESZJQIVSA-N 1 3 374.422 3.404 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000453071962 501262921 /nfs/dbraw/zinc/26/29/21/501262921.db2.gz MVUYHVTVAFAWPZ-XUVXKRRUSA-N 1 3 367.493 3.042 20 0 FGADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000453071962 501262923 /nfs/dbraw/zinc/26/29/23/501262923.db2.gz MVUYHVTVAFAWPZ-XUVXKRRUSA-N 1 3 367.493 3.042 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148071 501279217 /nfs/dbraw/zinc/27/92/17/501279217.db2.gz QRPIFLDPVXDVHJ-QHAWAJNXSA-N 1 3 365.525 3.188 20 0 FGADHO c1nnc(C2CC2)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148071 501279220 /nfs/dbraw/zinc/27/92/20/501279220.db2.gz QRPIFLDPVXDVHJ-QHAWAJNXSA-N 1 3 365.525 3.188 20 0 FGADHO C[C@@H]1C[NH+](CCOc2ccc(CCN[C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160798 501281840 /nfs/dbraw/zinc/28/18/40/501281840.db2.gz IANIGVVBJCDPIG-DBXWQHBBSA-N 1 3 368.525 3.127 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)c(=O)n1C ZINC000453209096 501291968 /nfs/dbraw/zinc/29/19/68/501291968.db2.gz CTABQCGIYQXIMH-BHDDXSALSA-N 1 3 365.521 3.227 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455607633 501345909 /nfs/dbraw/zinc/34/59/09/501345909.db2.gz JCCJNGUSAIWLJK-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455607633 501345911 /nfs/dbraw/zinc/34/59/11/501345911.db2.gz JCCJNGUSAIWLJK-LJQANCHMSA-N 1 3 372.557 3.167 20 0 FGADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1F ZINC000458273193 501408625 /nfs/dbraw/zinc/40/86/25/501408625.db2.gz AIWXOKLXJUQXTR-SFHVURJKSA-N 1 3 363.477 3.112 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@H](C)CCC2(C)C)CC1 ZINC000452017786 501419535 /nfs/dbraw/zinc/41/95/35/501419535.db2.gz XLVIXMXBQINNFU-GOSISDBHSA-N 1 3 357.542 3.339 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1 ZINC000458376380 501430693 /nfs/dbraw/zinc/43/06/93/501430693.db2.gz QNONWLPITTUKSA-QZTJIDSGSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458396853 501435929 /nfs/dbraw/zinc/43/59/29/501435929.db2.gz DCZLDQDXQLQRQD-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396853 501435931 /nfs/dbraw/zinc/43/59/31/501435931.db2.gz DCZLDQDXQLQRQD-OALUTQOASA-N 1 3 372.557 3.243 20 0 FGADHO C(=C\C[N@@H+]1CCCC2(CCOCC2)C1)\CN1CCCC2(CCOCC2)C1 ZINC000607749841 506253017 /nfs/dbraw/zinc/25/30/17/506253017.db2.gz SPQCHBLAKYQMAV-UPHRSURJSA-N 1 3 362.558 3.328 20 0 FGADHO C(=C\C[N@H+]1CCCC2(CCOCC2)C1)\CN1CCCC2(CCOCC2)C1 ZINC000607749841 506253027 /nfs/dbraw/zinc/25/30/27/506253027.db2.gz SPQCHBLAKYQMAV-UPHRSURJSA-N 1 3 362.558 3.328 20 0 FGADHO CC[C@H]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454447351 501547024 /nfs/dbraw/zinc/54/70/24/501547024.db2.gz FRPJWCCVAXQNKK-ZWKOTPCHSA-N 1 3 364.578 3.061 20 0 FGADHO CSC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027472 501604056 /nfs/dbraw/zinc/60/40/56/501604056.db2.gz VMWKMDSTFJYLSJ-VQTJNVASSA-N 1 3 362.583 3.333 20 0 FGADHO CSC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027472 501604058 /nfs/dbraw/zinc/60/40/58/501604058.db2.gz VMWKMDSTFJYLSJ-VQTJNVASSA-N 1 3 362.583 3.333 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788501 501629866 /nfs/dbraw/zinc/62/98/66/501629866.db2.gz BCBJHIGGCRQWDQ-TZIWHRDSSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459411015 501648990 /nfs/dbraw/zinc/64/89/90/501648990.db2.gz PWGRLQQTBSYEOZ-NQIIRXRSSA-N 1 3 350.510 3.476 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459436516 501653686 /nfs/dbraw/zinc/65/36/86/501653686.db2.gz XCVBNULCLQNMSG-QGZVFWFLSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000459436516 501653688 /nfs/dbraw/zinc/65/36/88/501653688.db2.gz XCVBNULCLQNMSG-QGZVFWFLSA-N 1 3 374.548 3.245 20 0 FGADHO COC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522947 501669199 /nfs/dbraw/zinc/66/91/99/501669199.db2.gz LDSJUJLCVVGPKO-FGZHOGPDSA-N 1 3 360.542 3.151 20 0 FGADHO COC[C@H](O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459522947 501669200 /nfs/dbraw/zinc/66/92/00/501669200.db2.gz LDSJUJLCVVGPKO-FGZHOGPDSA-N 1 3 360.542 3.151 20 0 FGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Br)cc3c2OCC3)C1 ZINC000459772302 501712390 /nfs/dbraw/zinc/71/23/90/501712390.db2.gz IKGHOHVKLPKKSL-CYBMUJFWSA-N 1 3 353.304 3.206 20 0 FGADHO C[N@H+]1CCC[C@H](CCNCc2cc(Br)cc3c2OCC3)C1 ZINC000459772302 501712392 /nfs/dbraw/zinc/71/23/92/501712392.db2.gz IKGHOHVKLPKKSL-CYBMUJFWSA-N 1 3 353.304 3.206 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000457538172 501718705 /nfs/dbraw/zinc/71/87/05/501718705.db2.gz WZYAAYMBNHSDSJ-SFHVURJKSA-N 1 3 372.557 3.154 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292388 501734964 /nfs/dbraw/zinc/73/49/64/501734964.db2.gz MYENAVHKMQAQQG-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292388 501734967 /nfs/dbraw/zinc/73/49/67/501734967.db2.gz MYENAVHKMQAQQG-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000467337675 501773638 /nfs/dbraw/zinc/77/36/38/501773638.db2.gz FDEHTJVUUHBYCP-CLCXKQKWSA-N 1 3 350.478 3.301 20 0 FGADHO Cc1noc(CCC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000477774088 501783422 /nfs/dbraw/zinc/78/34/22/501783422.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 1 3 354.498 3.299 20 0 FGADHO Cc1noc(CCC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)n1 ZINC000477774088 501783425 /nfs/dbraw/zinc/78/34/25/501783425.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 1 3 354.498 3.299 20 0 FGADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470735517 501786244 /nfs/dbraw/zinc/78/62/44/501786244.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 1 3 360.546 3.023 20 0 FGADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000470735517 501786246 /nfs/dbraw/zinc/78/62/46/501786246.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343616 501798071 /nfs/dbraw/zinc/79/80/71/501798071.db2.gz PJNGWPVNBMVOCJ-DJJWIGDXSA-N 1 3 371.569 3.237 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700774 501848294 /nfs/dbraw/zinc/84/82/94/501848294.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CN1Cc1ccccc1 ZINC000467700774 501848297 /nfs/dbraw/zinc/84/82/97/501848297.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 1 3 369.553 3.420 20 0 FGADHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752819 501860903 /nfs/dbraw/zinc/86/09/03/501860903.db2.gz MIPKGLKPCVKPQY-GFCCVEGCSA-N 1 3 364.481 3.086 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000478409575 501972008 /nfs/dbraw/zinc/97/20/08/501972008.db2.gz FEAWLLQSUVPKIO-LJQANCHMSA-N 1 3 360.546 3.019 20 0 FGADHO CC(C)[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N(C)C ZINC000471268903 501974388 /nfs/dbraw/zinc/97/43/88/501974388.db2.gz UIKSLDCCFDTKIZ-JOCHJYFZSA-N 1 3 373.585 3.424 20 0 FGADHO CC(C)(CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000478416615 501974737 /nfs/dbraw/zinc/97/47/37/501974737.db2.gz OWSPMHVGGZMESA-HXUWFJFHSA-N 1 3 372.557 3.245 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000482121075 501981082 /nfs/dbraw/zinc/98/10/82/501981082.db2.gz KVFROBZCDSLLRX-NRFANRHFSA-N 1 3 356.489 3.474 20 0 FGADHO O=C(CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560583 502018840 /nfs/dbraw/zinc/01/88/40/502018840.db2.gz YCMUFQHBBNIXKV-SFHVURJKSA-N 1 3 370.522 3.116 20 0 FGADHO CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000468413440 502051807 /nfs/dbraw/zinc/05/18/07/502051807.db2.gz VUGHEEMGTSPCGJ-CTNGQTDRSA-N 1 3 359.558 3.323 20 0 FGADHO CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000468413440 502051814 /nfs/dbraw/zinc/05/18/14/502051814.db2.gz VUGHEEMGTSPCGJ-CTNGQTDRSA-N 1 3 359.558 3.323 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000468430428 502056929 /nfs/dbraw/zinc/05/69/29/502056929.db2.gz XZDZPYSUIPXFIZ-OAQYLSRUSA-N 1 3 374.573 3.197 20 0 FGADHO Cc1ccccc1[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000475136455 502075372 /nfs/dbraw/zinc/07/53/72/502075372.db2.gz HSMCZQLKROVPTI-FYYLOGMGSA-N 1 3 365.521 3.455 20 0 FGADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140331 502077017 /nfs/dbraw/zinc/07/70/17/502077017.db2.gz RYWNOHAXCRJXKQ-PZJWPPBQSA-N 1 3 372.557 3.024 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475168926 502088963 /nfs/dbraw/zinc/08/89/63/502088963.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475168926 502088970 /nfs/dbraw/zinc/08/89/70/502088970.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CNC(=O)c1cccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831108 502148275 /nfs/dbraw/zinc/14/82/75/502148275.db2.gz KBOJVDKTBJKBKT-YADHBBJMSA-N 1 3 365.521 3.218 20 0 FGADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000482886803 502207889 /nfs/dbraw/zinc/20/78/89/502207889.db2.gz HMPYHJIHBCQREQ-QAPCUYQASA-N 1 3 372.431 3.255 20 0 FGADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546691 502209773 /nfs/dbraw/zinc/20/97/73/502209773.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546691 502209780 /nfs/dbraw/zinc/20/97/80/502209780.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 1 3 369.553 3.374 20 0 FGADHO COCC[NH+]1CCC(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000461877654 502221527 /nfs/dbraw/zinc/22/15/27/502221527.db2.gz NRFRIWFMBMQJOK-UHFFFAOYSA-N 1 3 366.505 3.489 20 0 FGADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479436681 502259801 /nfs/dbraw/zinc/25/98/01/502259801.db2.gz KITFWNAPCFRBIA-FQEVSTJZSA-N 1 3 356.514 3.198 20 0 FGADHO CC(C)C[C@@]1(CO)CCCN1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262946 /nfs/dbraw/zinc/26/29/46/502262946.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)C[C@@]1(CO)CCCN1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262949 /nfs/dbraw/zinc/26/29/49/502262949.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)C[C@@]1(CO)CCC[N@H+]1CCCN1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262953 /nfs/dbraw/zinc/26/29/53/502262953.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 1 3 354.579 3.123 20 0 FGADHO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCCN1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262957 /nfs/dbraw/zinc/26/29/57/502262957.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 1 3 354.579 3.123 20 0 FGADHO Cc1cc2[nH]c(CNCc3ccnc(OCC[NH+](C)C)c3)cc2c(C)c1 ZINC000479468765 502269024 /nfs/dbraw/zinc/26/90/24/502269024.db2.gz DUCJAJJBGHFTQZ-UHFFFAOYSA-N 1 3 352.482 3.410 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC(C)(C)C1 ZINC000483098442 502270874 /nfs/dbraw/zinc/27/08/74/502270874.db2.gz CUCGIPSGUVVQAU-FQEVSTJZSA-N 1 3 357.542 3.409 20 0 FGADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462010897 502273603 /nfs/dbraw/zinc/27/36/03/502273603.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462010897 502273605 /nfs/dbraw/zinc/27/36/05/502273605.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 1 3 360.546 3.021 20 0 FGADHO CCCN1CCC([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000462120235 502313562 /nfs/dbraw/zinc/31/35/62/502313562.db2.gz RZURGSGAOGUAQH-UHFFFAOYSA-N 1 3 351.579 3.264 20 0 FGADHO CCC[NH+]1CCC(NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000462120235 502313569 /nfs/dbraw/zinc/31/35/69/502313569.db2.gz RZURGSGAOGUAQH-UHFFFAOYSA-N 1 3 351.579 3.264 20 0 FGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465692840 502348567 /nfs/dbraw/zinc/34/85/67/502348567.db2.gz KKJVUXRQPXMTJE-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465692840 502348572 /nfs/dbraw/zinc/34/85/72/502348572.db2.gz KKJVUXRQPXMTJE-RTWAWAEBSA-N 1 3 372.557 3.167 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000476010594 502357329 /nfs/dbraw/zinc/35/73/29/502357329.db2.gz KGGBILDORSNZTE-IRFCIJBXSA-N 1 3 374.573 3.236 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000476010594 502357333 /nfs/dbraw/zinc/35/73/33/502357333.db2.gz KGGBILDORSNZTE-IRFCIJBXSA-N 1 3 374.573 3.236 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)C[C@@H](C)O1 ZINC000472566109 502385976 /nfs/dbraw/zinc/38/59/76/502385976.db2.gz CYYUSYMJIPJJJV-SBHAEUEKSA-N 1 3 351.579 3.072 20 0 FGADHO CC[N@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1)CC1CC1 ZINC000469524604 502451770 /nfs/dbraw/zinc/45/17/70/502451770.db2.gz BOPOUGFSDXLHHY-UHFFFAOYSA-N 1 3 371.529 3.409 20 0 FGADHO CC[N@@H+](CCC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1)CC1CC1 ZINC000469524604 502451775 /nfs/dbraw/zinc/45/17/75/502451775.db2.gz BOPOUGFSDXLHHY-UHFFFAOYSA-N 1 3 371.529 3.409 20 0 FGADHO CN(C)Cc1ccccc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000487482874 502456015 /nfs/dbraw/zinc/45/60/15/502456015.db2.gz JYYXYAIUUAFOOO-IBGZPJMESA-N 1 3 353.466 3.386 20 0 FGADHO CN(C)[C@H]1CCOc2c(NC(=O)c3ccccc3C[NH+](C)C)cccc21 ZINC000487482874 502456018 /nfs/dbraw/zinc/45/60/18/502456018.db2.gz JYYXYAIUUAFOOO-IBGZPJMESA-N 1 3 353.466 3.386 20 0 FGADHO CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462538054 502480085 /nfs/dbraw/zinc/48/00/85/502480085.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462538054 502480088 /nfs/dbraw/zinc/48/00/88/502480088.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 1 3 360.546 3.021 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000476480495 502500794 /nfs/dbraw/zinc/50/07/94/502500794.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)Cc1ccccc1 ZINC000476480495 502500796 /nfs/dbraw/zinc/50/07/96/502500796.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 1 3 360.546 3.071 20 0 FGADHO CCCCN(CC)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469783972 502545025 /nfs/dbraw/zinc/54/50/25/502545025.db2.gz SRLNBGDFDNVSJT-NGRWLJPCSA-N 1 3 359.558 3.381 20 0 FGADHO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1)C(C)C ZINC000480368523 502549133 /nfs/dbraw/zinc/54/91/33/502549133.db2.gz ZNDHAMVSSCJIFM-HXUWFJFHSA-N 1 3 363.571 3.084 20 0 FGADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1)C(C)C ZINC000480368523 502549137 /nfs/dbraw/zinc/54/91/37/502549137.db2.gz ZNDHAMVSSCJIFM-HXUWFJFHSA-N 1 3 363.571 3.084 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487894082 502558756 /nfs/dbraw/zinc/55/87/56/502558756.db2.gz HOIJKVKNYJRVDH-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894082 502558760 /nfs/dbraw/zinc/55/87/60/502558760.db2.gz HOIJKVKNYJRVDH-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO C[N@@H+](CCC(=O)Nc1cccnc1)CCC1CCN(c2ccncc2)CC1 ZINC000484082585 502565093 /nfs/dbraw/zinc/56/50/93/502565093.db2.gz KXLFPPPVVPNNNN-UHFFFAOYSA-N 1 3 367.497 3.044 20 0 FGADHO C[N@H+](CCC(=O)Nc1cccnc1)CCC1CCN(c2ccncc2)CC1 ZINC000484082585 502565096 /nfs/dbraw/zinc/56/50/96/502565096.db2.gz KXLFPPPVVPNNNN-UHFFFAOYSA-N 1 3 367.497 3.044 20 0 FGADHO CCN(CC)[C@H](CNC(=O)CC1(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000582603620 506321140 /nfs/dbraw/zinc/32/11/40/506321140.db2.gz JZFBBYZOIQUNFX-MRXNPFEDSA-N 1 3 371.447 3.334 20 0 FGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000476698635 502567489 /nfs/dbraw/zinc/56/74/89/502567489.db2.gz GAGAWAXOROSPHA-OAQYLSRUSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812469 502584076 /nfs/dbraw/zinc/58/40/76/502584076.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000462812469 502584081 /nfs/dbraw/zinc/58/40/81/502584081.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 1 3 355.526 3.030 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000484290291 502615994 /nfs/dbraw/zinc/61/59/94/502615994.db2.gz BZMSKMBEVUMGMB-OKZBNKHCSA-N 1 3 364.534 3.130 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652472 /nfs/dbraw/zinc/65/24/72/502652472.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 1 3 371.569 3.397 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652476 /nfs/dbraw/zinc/65/24/76/502652476.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 1 3 371.569 3.397 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCC(C)CC2)[C@H](C)C1 ZINC000480763954 502663986 /nfs/dbraw/zinc/66/39/86/502663986.db2.gz WZFVMFBBQASBDO-FSSWDIPSSA-N 1 3 367.622 3.470 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487330 502729730 /nfs/dbraw/zinc/72/97/30/502729730.db2.gz ZIWRNIRDTCLWPM-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000488487330 502729732 /nfs/dbraw/zinc/72/97/32/502729732.db2.gz ZIWRNIRDTCLWPM-GCJKJVERSA-N 1 3 365.521 3.389 20 0 FGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919652 502777772 /nfs/dbraw/zinc/77/77/72/502777772.db2.gz UXMQQILCMDHHBU-IAGOWNOFSA-N 1 3 353.466 3.477 20 0 FGADHO CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531045 502806599 /nfs/dbraw/zinc/80/65/99/502806599.db2.gz UFCYTULZMLNSLF-SFTDATJTSA-N 1 3 359.558 3.477 20 0 FGADHO CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000470531045 502806604 /nfs/dbraw/zinc/80/66/04/502806604.db2.gz UFCYTULZMLNSLF-SFTDATJTSA-N 1 3 359.558 3.477 20 0 FGADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488961083 502848063 /nfs/dbraw/zinc/84/80/63/502848063.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488961083 502848068 /nfs/dbraw/zinc/84/80/68/502848068.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180985 502895447 /nfs/dbraw/zinc/89/54/47/502895447.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180985 502895449 /nfs/dbraw/zinc/89/54/49/502895449.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000497122829 502923235 /nfs/dbraw/zinc/92/32/35/502923235.db2.gz BPXRHKQKMZVHDV-UNMCSNQZSA-N 1 3 359.558 3.202 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000497122829 502923237 /nfs/dbraw/zinc/92/32/37/502923237.db2.gz BPXRHKQKMZVHDV-UNMCSNQZSA-N 1 3 359.558 3.202 20 0 FGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000501073520 502928997 /nfs/dbraw/zinc/92/89/97/502928997.db2.gz ADDBJPXPGHQMLJ-OAQYLSRUSA-N 1 3 364.493 3.035 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccco1 ZINC000509566207 502936179 /nfs/dbraw/zinc/93/61/79/502936179.db2.gz DHHCENVFPWTZSP-AEFFLSMTSA-N 1 3 364.534 3.082 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936400 /nfs/dbraw/zinc/93/64/00/502936400.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 1 3 373.585 3.189 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936402 /nfs/dbraw/zinc/93/64/02/502936402.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 1 3 373.585 3.189 20 0 FGADHO C[N@@H+]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400847 502949543 /nfs/dbraw/zinc/94/95/43/502949543.db2.gz JTZLQWONDVPXKM-FGZHOGPDSA-N 1 3 372.472 3.075 20 0 FGADHO C[N@H+]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400847 502949548 /nfs/dbraw/zinc/94/95/48/502949548.db2.gz JTZLQWONDVPXKM-FGZHOGPDSA-N 1 3 372.472 3.075 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)cc1 ZINC000505754167 502978725 /nfs/dbraw/zinc/97/87/25/502978725.db2.gz DTGPEOXILNBZGL-LJQANCHMSA-N 1 3 365.949 3.147 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(Cl)cc1 ZINC000505754167 502978729 /nfs/dbraw/zinc/97/87/29/502978729.db2.gz DTGPEOXILNBZGL-LJQANCHMSA-N 1 3 365.949 3.147 20 0 FGADHO CN(C)[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1 ZINC000501362787 502992934 /nfs/dbraw/zinc/99/29/34/502992934.db2.gz PSRPTZLNLWTXLM-PMACEKPBSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501535668 503032300 /nfs/dbraw/zinc/03/23/00/503032300.db2.gz XARAPVSAAMPLCW-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535668 503032304 /nfs/dbraw/zinc/03/23/04/503032304.db2.gz XARAPVSAAMPLCW-SFHLNBCPSA-N 1 3 372.557 3.386 20 0 FGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810057 503046438 /nfs/dbraw/zinc/04/64/38/503046438.db2.gz XMOLKIOOCQIDAM-VQTJNVASSA-N 1 3 358.526 3.263 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047775 /nfs/dbraw/zinc/04/77/75/503047775.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047779 /nfs/dbraw/zinc/04/77/79/503047779.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 1 3 357.542 3.276 20 0 FGADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCCCCC1 ZINC000501783567 503079575 /nfs/dbraw/zinc/07/95/75/503079575.db2.gz DJLGTSSALAHJIM-RBUKOAKNSA-N 1 3 352.567 3.061 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000501801346 503082095 /nfs/dbraw/zinc/08/20/95/503082095.db2.gz SXJGLOOCEYHYAW-HXUWFJFHSA-N 1 3 372.557 3.387 20 0 FGADHO Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088762 503107041 /nfs/dbraw/zinc/10/70/41/503107041.db2.gz JEJDGHZCWDKZBB-QUCCMNQESA-N 1 3 357.542 3.162 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211019 503113996 /nfs/dbraw/zinc/11/39/96/503113996.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211019 503114000 /nfs/dbraw/zinc/11/40/00/503114000.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 1 3 372.557 3.242 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](CC)CC1)c1ccco1 ZINC000498393133 503177909 /nfs/dbraw/zinc/17/79/09/503177909.db2.gz XYHKJBZZEDKVQT-AEFFLSMTSA-N 1 3 364.534 3.130 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000498405174 503180406 /nfs/dbraw/zinc/18/04/06/503180406.db2.gz ZBWZYTMSMHHQPR-RXVVDRJESA-N 1 3 372.557 3.071 20 0 FGADHO CC1CC[NH+](C2CCC(NC(=O)NCCN3CCC[C@H](C)C3)CC2)CC1 ZINC000502632178 503241188 /nfs/dbraw/zinc/24/11/88/503241188.db2.gz TVBGNLOMNQSIFW-HDYDNRTBSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@H]1CN(CCOc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491023195 503261601 /nfs/dbraw/zinc/26/16/01/503261601.db2.gz URSZMMCTIZZHTD-WMZHIEFXSA-N 1 3 367.537 3.176 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502823003 503281537 /nfs/dbraw/zinc/28/15/37/503281537.db2.gz DCZACKZQKVPYBH-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000502823003 503281538 /nfs/dbraw/zinc/28/15/38/503281538.db2.gz DCZACKZQKVPYBH-SFHVURJKSA-N 1 3 360.546 3.060 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295182 /nfs/dbraw/zinc/29/51/82/503295182.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295186 /nfs/dbraw/zinc/29/51/86/503295186.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310957 /nfs/dbraw/zinc/31/09/57/503310957.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN(C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310959 /nfs/dbraw/zinc/31/09/59/503310959.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000502941978 503312126 /nfs/dbraw/zinc/31/21/26/503312126.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000502941978 503312129 /nfs/dbraw/zinc/31/21/29/503312129.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 1 3 372.557 3.154 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000499093778 503332174 /nfs/dbraw/zinc/33/21/74/503332174.db2.gz MFNGLCRGLXBRIM-DMUMMCEESA-N 1 3 360.546 3.158 20 0 FGADHO CC(C)C[C@H](CNC(=O)N1CCN2CCC1CC2)[NH2+][C@H](C)c1ccccc1 ZINC000499196643 503353128 /nfs/dbraw/zinc/35/31/28/503353128.db2.gz WETRQPVCWHONTE-UYAOXDASSA-N 1 3 372.557 3.242 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000503302390 503386018 /nfs/dbraw/zinc/38/60/18/503386018.db2.gz MCUWMMDKBFDJCV-FQEVSTJZSA-N 1 3 360.546 3.313 20 0 FGADHO CC(C)C[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)C(=O)NCCN(C)C ZINC000511857358 503400953 /nfs/dbraw/zinc/40/09/53/503400953.db2.gz BIXWVLDJYMHPIO-RJYAGPCLSA-N 1 3 365.949 3.268 20 0 FGADHO C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182630 503479521 /nfs/dbraw/zinc/47/95/21/503479521.db2.gz FLJJRJJQOIAFOQ-UTKZUKDTSA-N 1 3 355.526 3.203 20 0 FGADHO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000500102866 503554861 /nfs/dbraw/zinc/55/48/61/503554861.db2.gz ANLMSLGIJLHXIV-KTLDDFEXSA-N 1 3 360.546 3.097 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000516633207 503555333 /nfs/dbraw/zinc/55/53/33/503555333.db2.gz ILQRSNSUNKXWOI-GOEBONIOSA-N 1 3 374.504 3.246 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000516633207 503555336 /nfs/dbraw/zinc/55/53/36/503555336.db2.gz ILQRSNSUNKXWOI-GOEBONIOSA-N 1 3 374.504 3.246 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508845834 503575694 /nfs/dbraw/zinc/57/56/94/503575694.db2.gz KVOWCAVPSNNDPS-ICSRJNTNSA-N 1 3 362.562 3.360 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N(C)C ZINC000508894674 503592131 /nfs/dbraw/zinc/59/21/31/503592131.db2.gz GDJMRAMEFDCTHL-ZJOUEHCJSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901421 503594903 /nfs/dbraw/zinc/59/49/03/503594903.db2.gz YQNARIJNNGBPDG-GHTZIAJQSA-N 1 3 374.573 3.441 20 0 FGADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512654074 503604136 /nfs/dbraw/zinc/60/41/36/503604136.db2.gz JCFCNSNEWXKXNJ-BHDDXSALSA-N 1 3 369.553 3.279 20 0 FGADHO Cc1ccccc1[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078937 503661761 /nfs/dbraw/zinc/66/17/61/503661761.db2.gz LNCFSKOLRLFWFX-CTNGQTDRSA-N 1 3 357.542 3.403 20 0 FGADHO Cc1ccccc1[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078937 503661764 /nfs/dbraw/zinc/66/17/64/503661764.db2.gz LNCFSKOLRLFWFX-CTNGQTDRSA-N 1 3 357.542 3.403 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000527132304 503692558 /nfs/dbraw/zinc/69/25/58/503692558.db2.gz JHLGGEOQTBYCIR-UHFFFAOYSA-N 1 3 362.852 3.235 20 0 FGADHO COCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169603 503696012 /nfs/dbraw/zinc/69/60/12/503696012.db2.gz FLBIOZKHQSXDDX-FUHIMQAGSA-N 1 3 352.494 3.382 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731994 503701922 /nfs/dbraw/zinc/70/19/22/503701922.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731994 503701927 /nfs/dbraw/zinc/70/19/27/503701927.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C)C3)CC2)c1 ZINC000536731994 503701933 /nfs/dbraw/zinc/70/19/33/503701933.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 1 3 358.526 3.408 20 0 FGADHO COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@@H](CCCN4C)C3)CC2)c1 ZINC000536731994 503701935 /nfs/dbraw/zinc/70/19/35/503701935.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 1 3 358.526 3.408 20 0 FGADHO C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(OCCN(C)C)cc1 ZINC000536832011 503734233 /nfs/dbraw/zinc/73/42/33/503734233.db2.gz IJKOIGOLYARHEV-INIZCTEOSA-N 1 3 352.482 3.397 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865567 503743625 /nfs/dbraw/zinc/74/36/25/503743625.db2.gz YPRFCVRCBVBDBJ-GUDVDZBRSA-N 1 3 356.514 3.412 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000543381382 503746014 /nfs/dbraw/zinc/74/60/14/503746014.db2.gz XSIUQFXQIXPVES-HXUWFJFHSA-N 1 3 374.573 3.333 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405472 503757126 /nfs/dbraw/zinc/75/71/26/503757126.db2.gz XINKYULUWROKSN-SEONNTABSA-N 1 3 357.542 3.298 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C2CCCC2)CC1 ZINC000533286553 503791411 /nfs/dbraw/zinc/79/14/11/503791411.db2.gz HJPUHIRVPRXOMZ-UHFFFAOYSA-N 1 3 357.542 3.074 20 0 FGADHO CC(C)COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000540504448 503795520 /nfs/dbraw/zinc/79/55/20/503795520.db2.gz FUYRPEAYDPEPRQ-SIKLNZKXSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000540504448 503795527 /nfs/dbraw/zinc/79/55/27/503795527.db2.gz FUYRPEAYDPEPRQ-SIKLNZKXSA-N 1 3 359.558 3.179 20 0 FGADHO CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C2CCCC2)(c2ccccc2)CC1 ZINC000530024891 503798634 /nfs/dbraw/zinc/79/86/34/503798634.db2.gz AFNOBJMRHUOFPX-OAQYLSRUSA-N 1 3 369.553 3.173 20 0 FGADHO C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000517680548 503805332 /nfs/dbraw/zinc/80/53/32/503805332.db2.gz FCAPCWIOABYQIJ-IBGZPJMESA-N 1 3 371.569 3.130 20 0 FGADHO COC(=O)c1coc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000543634402 503835778 /nfs/dbraw/zinc/83/57/78/503835778.db2.gz ZCCQXKCFWIZPEJ-SJLPKXTDSA-N 1 3 356.466 3.457 20 0 FGADHO COC(=O)c1coc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634402 503835783 /nfs/dbraw/zinc/83/57/83/503835783.db2.gz ZCCQXKCFWIZPEJ-SJLPKXTDSA-N 1 3 356.466 3.457 20 0 FGADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)N(C)C1CC1 ZINC000517910713 503864237 /nfs/dbraw/zinc/86/42/37/503864237.db2.gz LARRITPKNRBSMR-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000540744265 503877161 /nfs/dbraw/zinc/87/71/61/503877161.db2.gz DMPZGEXFYAFINK-ZBFHGGJFSA-N 1 3 368.591 3.318 20 0 FGADHO FC(F)(F)COc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530244168 503892248 /nfs/dbraw/zinc/89/22/48/503892248.db2.gz ZGYJWIMTCJQUOR-SFHVURJKSA-N 1 3 372.431 3.218 20 0 FGADHO Clc1cccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249090 503894426 /nfs/dbraw/zinc/89/44/26/503894426.db2.gz UDYDOYCGVQMDLU-LJQANCHMSA-N 1 3 374.916 3.321 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000518081831 503905079 /nfs/dbraw/zinc/90/50/79/503905079.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000518081831 503905085 /nfs/dbraw/zinc/90/50/85/503905085.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000541059470 503990542 /nfs/dbraw/zinc/99/05/42/503990542.db2.gz IZKVACJZQHIBJE-FQEVSTJZSA-N 1 3 355.570 3.282 20 0 FGADHO C[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000528002301 504034411 /nfs/dbraw/zinc/03/44/11/504034411.db2.gz IJRPQVWWGGPNMJ-HRAATJIYSA-N 1 3 367.493 3.105 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000518985192 504110836 /nfs/dbraw/zinc/11/08/36/504110836.db2.gz QNCKBHWHNVROOZ-VXPBHUBDSA-N 1 3 369.553 3.278 20 0 FGADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000538192943 504157336 /nfs/dbraw/zinc/15/73/36/504157336.db2.gz LPLUJUMCVNBCDI-AWEZNQCLSA-N 1 3 353.869 3.048 20 0 FGADHO O=C1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc2N1 ZINC000541541755 504170802 /nfs/dbraw/zinc/17/08/02/504170802.db2.gz DKHSZJDCHCRQDA-LJQANCHMSA-N 1 3 350.466 3.361 20 0 FGADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555687 504172664 /nfs/dbraw/zinc/17/26/64/504172664.db2.gz JQWZYZFIDOAEHR-SIKLNZKXSA-N 1 3 371.569 3.178 20 0 FGADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000544555687 504172669 /nfs/dbraw/zinc/17/26/69/504172669.db2.gz JQWZYZFIDOAEHR-SIKLNZKXSA-N 1 3 371.569 3.178 20 0 FGADHO c1cc2c(cc1CN1CCC[C@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411533 504215609 /nfs/dbraw/zinc/21/56/09/504215609.db2.gz KTSWPKPEGMYTGQ-FQEVSTJZSA-N 1 3 350.462 3.441 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519483981 504230634 /nfs/dbraw/zinc/23/06/34/504230634.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519483981 504230638 /nfs/dbraw/zinc/23/06/38/504230638.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 1 3 372.557 3.215 20 0 FGADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000519489335 504232050 /nfs/dbraw/zinc/23/20/50/504232050.db2.gz LQXPNMSNLUMUND-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000519489335 504232057 /nfs/dbraw/zinc/23/20/57/504232057.db2.gz LQXPNMSNLUMUND-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616115 504304660 /nfs/dbraw/zinc/30/46/60/504304660.db2.gz VEOAHQAEELORNR-HKUYNNGSSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616115 504304667 /nfs/dbraw/zinc/30/46/67/504304667.db2.gz VEOAHQAEELORNR-HKUYNNGSSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000535003810 504309027 /nfs/dbraw/zinc/30/90/27/504309027.db2.gz BYYAXBQTFKXRIS-WMZHIEFXSA-N 1 3 367.537 3.300 20 0 FGADHO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000528643057 504309704 /nfs/dbraw/zinc/30/97/04/504309704.db2.gz ZGDNVGNLVKBAAW-JOCHJYFZSA-N 1 3 372.553 3.426 20 0 FGADHO OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000528643057 504309709 /nfs/dbraw/zinc/30/97/09/504309709.db2.gz ZGDNVGNLVKBAAW-JOCHJYFZSA-N 1 3 372.553 3.426 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000528657040 504316106 /nfs/dbraw/zinc/31/61/06/504316106.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 1 3 357.542 3.134 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000528657040 504316110 /nfs/dbraw/zinc/31/61/10/504316110.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548065341 504316670 /nfs/dbraw/zinc/31/66/70/504316670.db2.gz YUXUTNVOJNLCBO-GOSISDBHSA-N 1 3 372.557 3.378 20 0 FGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548065341 504316673 /nfs/dbraw/zinc/31/66/73/504316673.db2.gz YUXUTNVOJNLCBO-GOSISDBHSA-N 1 3 372.557 3.378 20 0 FGADHO CCCN1CCN(c2ccccc2CNC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000531531984 504336633 /nfs/dbraw/zinc/33/66/33/504336633.db2.gz MXFMAJOIXNWMIS-FQEVSTJZSA-N 1 3 358.574 3.040 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528715242 504346088 /nfs/dbraw/zinc/34/60/88/504346088.db2.gz NMNBOPXIAADRHV-IYBDPMFKSA-N 1 3 374.529 3.047 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528715242 504346095 /nfs/dbraw/zinc/34/60/95/504346095.db2.gz NMNBOPXIAADRHV-IYBDPMFKSA-N 1 3 374.529 3.047 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728062 504351823 /nfs/dbraw/zinc/35/18/23/504351823.db2.gz IJQQXENYHABMEY-HSZRJFAPSA-N 1 3 371.569 3.262 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728062 504351828 /nfs/dbraw/zinc/35/18/28/504351828.db2.gz IJQQXENYHABMEY-HSZRJFAPSA-N 1 3 371.569 3.262 20 0 FGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923065 504384096 /nfs/dbraw/zinc/38/40/96/504384096.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923065 504384102 /nfs/dbraw/zinc/38/41/02/504384102.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 1 3 352.567 3.013 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000519974468 504392009 /nfs/dbraw/zinc/39/20/09/504392009.db2.gz BDLJDTXIYXTBSF-FQEVSTJZSA-N 1 3 374.573 3.414 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804753 504430290 /nfs/dbraw/zinc/43/02/90/504430290.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804753 504430294 /nfs/dbraw/zinc/43/02/94/504430294.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548483523 504461983 /nfs/dbraw/zinc/46/19/83/504461983.db2.gz CDDVQYRHYLNWGH-FPOVZHCZSA-N 1 3 373.585 3.376 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000520348477 504474291 /nfs/dbraw/zinc/47/42/91/504474291.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 1 3 355.526 3.173 20 0 FGADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000520348477 504474294 /nfs/dbraw/zinc/47/42/94/504474294.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000520406025 504491285 /nfs/dbraw/zinc/49/12/85/504491285.db2.gz SJCVEYBEVBLQBC-LJQANCHMSA-N 1 3 366.594 3.404 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000520406025 504491289 /nfs/dbraw/zinc/49/12/89/504491289.db2.gz SJCVEYBEVBLQBC-LJQANCHMSA-N 1 3 366.594 3.404 20 0 FGADHO COc1ccc(C2CCC([NH2+]CCCN3CCCN(C)CC3)CC2)cc1 ZINC000542475576 504505463 /nfs/dbraw/zinc/50/54/63/504505463.db2.gz ZVLZNIYVQLETFF-UHFFFAOYSA-N 1 3 359.558 3.339 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300279 504603217 /nfs/dbraw/zinc/60/32/17/504603217.db2.gz LTIGFMKALVYZHD-LJQANCHMSA-N 1 3 367.537 3.478 20 0 FGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861311 504721202 /nfs/dbraw/zinc/72/12/02/504721202.db2.gz KAIJTWXIHHXAQT-HDICACEKSA-N 1 3 374.525 3.169 20 0 FGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861311 504721206 /nfs/dbraw/zinc/72/12/06/504721206.db2.gz KAIJTWXIHHXAQT-HDICACEKSA-N 1 3 374.525 3.169 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765761 /nfs/dbraw/zinc/76/57/61/504765761.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765764 /nfs/dbraw/zinc/76/57/64/504765764.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 1 3 364.578 3.013 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000556112938 504799848 /nfs/dbraw/zinc/79/98/48/504799848.db2.gz VSZAOJVWBBLEPY-OAQYLSRUSA-N 1 3 351.494 3.032 20 0 FGADHO CCc1oc(CNCC2CC[NH+](CCC(C)C)CC2)cc1C(=O)OC ZINC000549401513 504810991 /nfs/dbraw/zinc/81/09/91/504810991.db2.gz KNZQATMZBCUJQC-UHFFFAOYSA-N 1 3 350.503 3.476 20 0 FGADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000553098845 504827226 /nfs/dbraw/zinc/82/72/26/504827226.db2.gz ZKGDNFDWWBLOBC-UYAOXDASSA-N 1 3 373.541 3.106 20 0 FGADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172694 504844672 /nfs/dbraw/zinc/84/46/72/504844672.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 1 3 369.553 3.372 20 0 FGADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1[C@H](C)CC[C@@H]1C ZINC000553172694 504844677 /nfs/dbraw/zinc/84/46/77/504844677.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 1 3 369.553 3.372 20 0 FGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000565351293 504862815 /nfs/dbraw/zinc/86/28/15/504862815.db2.gz FGNDGWLUWMAXID-UYAOXDASSA-N 1 3 374.916 3.448 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000549755358 504889262 /nfs/dbraw/zinc/88/92/62/504889262.db2.gz VIGLPOIKOBZHEU-MRXNPFEDSA-N 1 3 367.484 3.120 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000549755358 504889266 /nfs/dbraw/zinc/88/92/66/504889266.db2.gz VIGLPOIKOBZHEU-MRXNPFEDSA-N 1 3 367.484 3.120 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000549766122 504892002 /nfs/dbraw/zinc/89/20/02/504892002.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000549766122 504892004 /nfs/dbraw/zinc/89/20/04/504892004.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 1 3 357.542 3.374 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732259 504917624 /nfs/dbraw/zinc/91/76/24/504917624.db2.gz FKDSTQSCDWRBBA-FCHUYYIVSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732259 504917628 /nfs/dbraw/zinc/91/76/28/504917628.db2.gz FKDSTQSCDWRBBA-FCHUYYIVSA-N 1 3 361.493 3.252 20 0 FGADHO NCc1cn([C@H]2CCCN(Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750783 504932702 /nfs/dbraw/zinc/93/27/02/504932702.db2.gz VCLOJNGUDVZPRK-KRWDZBQOSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750783 504932704 /nfs/dbraw/zinc/93/27/04/504932704.db2.gz VCLOJNGUDVZPRK-KRWDZBQOSA-N 1 3 371.485 3.442 20 0 FGADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750783 504932707 /nfs/dbraw/zinc/93/27/07/504932707.db2.gz VCLOJNGUDVZPRK-KRWDZBQOSA-N 1 3 371.485 3.442 20 0 FGADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000562751394 504933419 /nfs/dbraw/zinc/93/34/19/504933419.db2.gz QTTOMGDFEZTUGJ-PZJWPPBQSA-N 1 3 354.498 3.103 20 0 FGADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000562878775 504973904 /nfs/dbraw/zinc/97/39/04/504973904.db2.gz ZZUBUVQAHTUPPP-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000562878775 504973910 /nfs/dbraw/zinc/97/39/10/504973910.db2.gz ZZUBUVQAHTUPPP-HBFSDRIKSA-N 1 3 360.546 3.242 20 0 FGADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000556885989 505006567 /nfs/dbraw/zinc/00/65/67/505006567.db2.gz KDNUJPUOQOXSOO-HSALFYBXSA-N 1 3 357.542 3.039 20 0 FGADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987324 505010971 /nfs/dbraw/zinc/01/09/71/505010971.db2.gz GTMBCVTXSZYRSR-GCJKJVERSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987324 505010972 /nfs/dbraw/zinc/01/09/72/505010972.db2.gz GTMBCVTXSZYRSR-GCJKJVERSA-N 1 3 366.505 3.167 20 0 FGADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987324 505010975 /nfs/dbraw/zinc/01/09/75/505010975.db2.gz GTMBCVTXSZYRSR-GCJKJVERSA-N 1 3 366.505 3.167 20 0 FGADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)C1 ZINC000556963815 505032332 /nfs/dbraw/zinc/03/23/32/505032332.db2.gz JSAJSXNKZDELBN-OALUTQOASA-N 1 3 374.916 3.448 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940745 505033611 /nfs/dbraw/zinc/03/36/11/505033611.db2.gz QYOHFKWQQSZFRE-XLIONFOSSA-N 1 3 372.557 3.147 20 0 FGADHO Clc1cccc(-c2noc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000565945159 505034959 /nfs/dbraw/zinc/03/49/59/505034959.db2.gz XTNLLXQEJQNTND-GVDBMIGSSA-N 1 3 360.889 3.443 20 0 FGADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060294 505036733 /nfs/dbraw/zinc/03/67/33/505036733.db2.gz CFRKZVZUHQEDBP-RTBURBONSA-N 1 3 357.523 3.134 20 0 FGADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000553975135 505058052 /nfs/dbraw/zinc/05/80/52/505058052.db2.gz YCFANYNJZIFPAJ-WMQCIHAUSA-N 1 3 355.526 3.209 20 0 FGADHO C[C@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000566062414 505068933 /nfs/dbraw/zinc/06/89/33/505068933.db2.gz FUUIJLVCENXJLX-WDEREUQCSA-N 1 3 350.816 3.143 20 0 FGADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566102037 505081324 /nfs/dbraw/zinc/08/13/24/505081324.db2.gz HFWUYHCAKLRAFD-FQEVSTJZSA-N 1 3 357.473 3.196 20 0 FGADHO Cc1ccc(-c2cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)on2)cc1 ZINC000557338852 505111227 /nfs/dbraw/zinc/11/12/27/505111227.db2.gz GBXFSFYQBPJCEW-PZJWPPBQSA-N 1 3 355.482 3.368 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524570 505114994 /nfs/dbraw/zinc/11/49/94/505114994.db2.gz GKBMMFPHZUOJRU-HBFSDRIKSA-N 1 3 371.529 3.055 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524570 505114995 /nfs/dbraw/zinc/11/49/95/505114995.db2.gz GKBMMFPHZUOJRU-HBFSDRIKSA-N 1 3 371.529 3.055 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000563350671 505116966 /nfs/dbraw/zinc/11/69/66/505116966.db2.gz PJKURYLDIHJTJR-XUVXKRRUSA-N 1 3 371.912 3.022 20 0 FGADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCOC2(C)C)cc1OC ZINC000551007816 505142362 /nfs/dbraw/zinc/14/23/62/505142362.db2.gz RHPYGNZWHOLMAL-LJQANCHMSA-N 1 3 350.503 3.073 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C3CCCC3)CC2)CC1 ZINC000557564334 505168924 /nfs/dbraw/zinc/16/89/24/505168924.db2.gz HDZFEMYXHKWUCO-OAQYLSRUSA-N 1 3 361.574 3.364 20 0 FGADHO CN(C)C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000554449229 505176710 /nfs/dbraw/zinc/17/67/10/505176710.db2.gz FHVSBCBUGUPBNO-VQTJNVASSA-N 1 3 372.488 3.031 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270528 505190396 /nfs/dbraw/zinc/19/03/96/505190396.db2.gz OEXOOIRIDKMJIW-LVCYWYKZSA-N 1 3 355.530 3.324 20 0 FGADHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270528 505190398 /nfs/dbraw/zinc/19/03/98/505190398.db2.gz OEXOOIRIDKMJIW-LVCYWYKZSA-N 1 3 355.530 3.324 20 0 FGADHO COc1cc(F)c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897416 505208781 /nfs/dbraw/zinc/20/87/81/505208781.db2.gz FGLYQCFFGWBJFX-OWCLPIDISA-N 1 3 368.493 3.383 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000554609464 505221176 /nfs/dbraw/zinc/22/11/76/505221176.db2.gz AAWHRYUEAHFLNT-HKUYNNGSSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000554609464 505221179 /nfs/dbraw/zinc/22/11/79/505221179.db2.gz AAWHRYUEAHFLNT-HKUYNNGSSA-N 1 3 360.546 3.194 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)CC1 ZINC000566747224 505262898 /nfs/dbraw/zinc/26/28/98/505262898.db2.gz FBMZBKCKEDKKMP-BJLQDIEVSA-N 1 3 363.590 3.371 20 0 FGADHO CC(C)[NH+]1CCC(N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699479 505285639 /nfs/dbraw/zinc/28/56/39/505285639.db2.gz DHQDCZYUZVAXPY-JOCHJYFZSA-N 1 3 359.558 3.082 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000558095935 505306790 /nfs/dbraw/zinc/30/67/90/505306790.db2.gz ORKKRXQWWOXIRN-SFHVURJKSA-N 1 3 372.557 3.243 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329169 /nfs/dbraw/zinc/32/91/69/505329169.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 1 3 363.571 3.259 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329172 /nfs/dbraw/zinc/32/91/72/505329172.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 1 3 363.571 3.259 20 0 FGADHO COc1cc(OC)c(C[C@@H](C)NC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000567120183 505368901 /nfs/dbraw/zinc/36/89/01/505368901.db2.gz BDSWLZZMEPNYMH-OAHLLOKOSA-N 1 3 362.514 3.107 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000567174425 505386003 /nfs/dbraw/zinc/38/60/03/505386003.db2.gz SGKFDMLIMURXHZ-IBGZPJMESA-N 1 3 370.516 3.469 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284324 505450327 /nfs/dbraw/zinc/45/03/27/505450327.db2.gz WOJITBJWLKKGRR-KURKYZTESA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284324 505450331 /nfs/dbraw/zinc/45/03/31/505450331.db2.gz WOJITBJWLKKGRR-KURKYZTESA-N 1 3 359.905 3.192 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284324 505450334 /nfs/dbraw/zinc/45/03/34/505450334.db2.gz WOJITBJWLKKGRR-KURKYZTESA-N 1 3 359.905 3.192 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560216 505453488 /nfs/dbraw/zinc/45/34/88/505453488.db2.gz USZUDVIAKPMCMY-ONGXBYRLSA-N 1 3 352.478 3.130 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000567678928 505533082 /nfs/dbraw/zinc/53/30/82/505533082.db2.gz DZXIHCQZMBOKKR-SFHVURJKSA-N 1 3 354.922 3.070 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000562241062 505549574 /nfs/dbraw/zinc/54/95/74/505549574.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 1 3 374.573 3.317 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000562241062 505549578 /nfs/dbraw/zinc/54/95/78/505549578.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 1 3 374.573 3.317 20 0 FGADHO Cc1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000564940196 505562005 /nfs/dbraw/zinc/56/20/05/505562005.db2.gz LNMCCYOWVSEZOV-YLJYHZDGSA-N 1 3 360.546 3.083 20 0 FGADHO Clc1ccc(Cl)c(CC2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000567890815 505570251 /nfs/dbraw/zinc/57/02/51/505570251.db2.gz USHKAVURDWEOEG-UHFFFAOYSA-N 1 3 356.341 3.153 20 0 FGADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167794 506449795 /nfs/dbraw/zinc/44/97/95/506449795.db2.gz SZLSCSCIUCCVLW-NHCUHLMSSA-N 1 3 357.542 3.230 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582904229 506481353 /nfs/dbraw/zinc/48/13/53/506481353.db2.gz HZALUNHCLVHFAD-JOCHJYFZSA-N 1 3 365.521 3.277 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000608414574 506549342 /nfs/dbraw/zinc/54/93/42/506549342.db2.gz LKKJNKADIZTAAX-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645615 506646303 /nfs/dbraw/zinc/64/63/03/506646303.db2.gz QAKDVLUUKLHNTL-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604170465 506734531 /nfs/dbraw/zinc/73/45/31/506734531.db2.gz CDNMUMKRSNZYPA-FPOVZHCZSA-N 1 3 372.557 3.387 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604183029 506741189 /nfs/dbraw/zinc/74/11/89/506741189.db2.gz ULRIXFXQKNVCST-UYAOXDASSA-N 1 3 360.546 3.243 20 0 FGADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604195899 506747284 /nfs/dbraw/zinc/74/72/84/506747284.db2.gz WYJMGMYGJJPOSM-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604195899 506747289 /nfs/dbraw/zinc/74/72/89/506747289.db2.gz WYJMGMYGJJPOSM-RTWAWAEBSA-N 1 3 372.557 3.387 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000583419958 506769485 /nfs/dbraw/zinc/76/94/85/506769485.db2.gz KQJCCMFZEUELCK-LJQANCHMSA-N 1 3 364.578 3.062 20 0 FGADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000583419958 506769490 /nfs/dbraw/zinc/76/94/90/506769490.db2.gz KQJCCMFZEUELCK-LJQANCHMSA-N 1 3 364.578 3.062 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118600 506784750 /nfs/dbraw/zinc/78/47/50/506784750.db2.gz PQYABLBOLHDMTF-FQEVSTJZSA-N 1 3 371.569 3.272 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118600 506784758 /nfs/dbraw/zinc/78/47/58/506784758.db2.gz PQYABLBOLHDMTF-FQEVSTJZSA-N 1 3 371.569 3.272 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491483 506808579 /nfs/dbraw/zinc/80/85/79/506808579.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 1 3 369.553 3.374 20 0 FGADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491483 506808583 /nfs/dbraw/zinc/80/85/83/506808583.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 1 3 369.553 3.374 20 0 FGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000583688611 506918368 /nfs/dbraw/zinc/91/83/68/506918368.db2.gz RSMZZQOQRDJDNB-MGPQQGTHSA-N 1 3 361.313 3.196 20 0 FGADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000604786648 506942515 /nfs/dbraw/zinc/94/25/15/506942515.db2.gz FRTYDTXKBRCWNC-UYAOXDASSA-N 1 3 361.505 3.027 20 0 FGADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(C)(C)C ZINC000604824772 506959040 /nfs/dbraw/zinc/95/90/40/506959040.db2.gz WYYIHZXAKCRJHH-IBGZPJMESA-N 1 3 366.594 3.260 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](SC)C(C)(C)C)CC2)CC1 ZINC000594337915 507085061 /nfs/dbraw/zinc/08/50/61/507085061.db2.gz VIYOMQXKJXZLAT-GOSISDBHSA-N 1 3 369.619 3.077 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113249 /nfs/dbraw/zinc/11/32/49/507113249.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113254 /nfs/dbraw/zinc/11/32/54/507113254.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 1 3 357.542 3.409 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000605374244 507164568 /nfs/dbraw/zinc/16/45/68/507164568.db2.gz SQXAHKKCIFZTBS-QUCCMNQESA-N 1 3 361.505 3.028 20 0 FGADHO Fc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226763 /nfs/dbraw/zinc/22/67/63/507226763.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 1 3 374.500 3.047 20 0 FGADHO Fc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226773 /nfs/dbraw/zinc/22/67/73/507226773.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 1 3 374.500 3.047 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N1CCCC1 ZINC000591430855 507247721 /nfs/dbraw/zinc/24/77/21/507247721.db2.gz VRZGAMGCFWQSFV-RTBURBONSA-N 1 3 373.541 3.154 20 0 FGADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N1CCCC1 ZINC000591430855 507247724 /nfs/dbraw/zinc/24/77/24/507247724.db2.gz VRZGAMGCFWQSFV-RTBURBONSA-N 1 3 373.541 3.154 20 0 FGADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999268 507349015 /nfs/dbraw/zinc/34/90/15/507349015.db2.gz BTVAMWYISFXQQY-LJQANCHMSA-N 1 3 367.493 3.193 20 0 FGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016810 507356004 /nfs/dbraw/zinc/35/60/04/507356004.db2.gz XNOAJELIAMWIKK-WBMJQRKESA-N 1 3 370.278 3.210 20 0 FGADHO COC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)n2c1CCCC2 ZINC000598638134 507527284 /nfs/dbraw/zinc/52/72/84/507527284.db2.gz ABUJQWXBFVANKL-UHFFFAOYSA-N 1 3 361.530 3.213 20 0 FGADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1F ZINC000585812035 507644201 /nfs/dbraw/zinc/64/42/01/507644201.db2.gz MCIRRKFHJFQYHG-UHFFFAOYSA-N 1 3 369.484 3.451 20 0 FGADHO C[NH+]1CCC(N2CC[C@@H](Nc3nc(C(F)F)nc4ccccc43)C2)CC1 ZINC000602234525 521225946 /nfs/dbraw/zinc/22/59/46/521225946.db2.gz ZBPMNDMSILMQQD-CYBMUJFWSA-N 1 3 361.440 3.148 20 0 FGADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000637137965 568439445 /nfs/dbraw/zinc/43/94/45/568439445.db2.gz WALYTUBBZJAJIB-IEBWSBKVSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935387 608501550 /nfs/dbraw/zinc/50/15/50/608501550.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824935387 608501554 /nfs/dbraw/zinc/50/15/54/608501554.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935387 608501557 /nfs/dbraw/zinc/50/15/57/608501557.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 1 3 368.529 3.488 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824935387 608501558 /nfs/dbraw/zinc/50/15/58/608501558.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 1 3 368.529 3.488 20 0 FGADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000127968889 700769056 /nfs/dbraw/zinc/76/90/56/700769056.db2.gz RTDMYKOVZOFFNS-MRXNPFEDSA-N 1 3 353.457 3.331 20 0 FGADHO CC1CCN(CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182692737 705856978 /nfs/dbraw/zinc/85/69/78/705856978.db2.gz DMZIKVJHMMLMHV-GOSISDBHSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@H](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000195222997 713549839 /nfs/dbraw/zinc/54/98/39/713549839.db2.gz MUSXACNUDQTWAL-YLJYHZDGSA-N 1 3 353.551 3.488 20 0 FGADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCN1C ZINC000525758906 714375775 /nfs/dbraw/zinc/37/57/75/714375775.db2.gz SFFJLVZFJFJOJA-FHLIZLRMSA-N 1 3 352.906 3.470 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399247 715327564 /nfs/dbraw/zinc/32/75/64/715327564.db2.gz CZHQMBHTSSKPJV-HOTGVXAUSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399247 715327571 /nfs/dbraw/zinc/32/75/71/715327571.db2.gz CZHQMBHTSSKPJV-HOTGVXAUSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422994 715333354 /nfs/dbraw/zinc/33/33/54/715333354.db2.gz PFTBWVQDOKVHBP-GJZGRUSLSA-N 1 3 353.457 3.329 20 0 FGADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422994 715333358 /nfs/dbraw/zinc/33/33/58/715333358.db2.gz PFTBWVQDOKVHBP-GJZGRUSLSA-N 1 3 353.457 3.329 20 0 FGADHO CN1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472196 715343025 /nfs/dbraw/zinc/34/30/25/715343025.db2.gz HUGWUJUDWSTLCB-SKDZVZGDSA-N 1 3 367.896 3.213 20 0 FGADHO CN1CC[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478622 715344147 /nfs/dbraw/zinc/34/41/47/715344147.db2.gz RZXUCKONRWXZEY-OLZOCXBDSA-N 1 3 353.869 3.047 20 0 FGADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509571 715351164 /nfs/dbraw/zinc/35/11/64/715351164.db2.gz JEJFFZAHRFVRKL-CVEARBPZSA-N 1 3 366.347 3.490 20 0 FGADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509571 715351167 /nfs/dbraw/zinc/35/11/67/715351167.db2.gz JEJFFZAHRFVRKL-CVEARBPZSA-N 1 3 366.347 3.490 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121305 715477310 /nfs/dbraw/zinc/47/73/10/715477310.db2.gz SVZKIDAQZAXBIK-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121305 715477315 /nfs/dbraw/zinc/47/73/15/715477315.db2.gz SVZKIDAQZAXBIK-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121305 715477323 /nfs/dbraw/zinc/47/73/23/715477323.db2.gz SVZKIDAQZAXBIK-FUHWJXTLSA-N 1 3 365.949 3.399 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326734 715512430 /nfs/dbraw/zinc/51/24/30/715512430.db2.gz SSHLHTLAEQXLSN-CEXWTWQISA-N 1 3 351.485 3.074 20 0 FGADHO CN(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326734 715512435 /nfs/dbraw/zinc/51/24/35/715512435.db2.gz SSHLHTLAEQXLSN-CEXWTWQISA-N 1 3 351.485 3.074 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000629521020 716303054 /nfs/dbraw/zinc/30/30/54/716303054.db2.gz KRNCIHXJRDVXQW-OAHLLOKOSA-N 1 3 361.486 3.424 20 0 FGADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953194 717134877 /nfs/dbraw/zinc/13/48/77/717134877.db2.gz UQDLLCVGEYCSNH-YLJYHZDGSA-N 1 3 364.555 3.118 20 0 FGADHO Cc1cc(CN)oc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000638089376 717407757 /nfs/dbraw/zinc/40/77/57/717407757.db2.gz QFWROOBGCFUVHR-UHFFFAOYSA-N 1 3 359.495 3.156 20 0 FGADHO COCCSc1ccc([C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638537457 717456029 /nfs/dbraw/zinc/45/60/29/717456029.db2.gz FYFMSPQTDFBEJI-INIZCTEOSA-N 1 3 366.571 3.311 20 0 FGADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000644569576 718126758 /nfs/dbraw/zinc/12/67/58/718126758.db2.gz ZWKUCVSFSXQLBH-HNNXBMFYSA-N 1 3 368.319 3.242 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619337 718134489 /nfs/dbraw/zinc/13/44/89/718134489.db2.gz CZPOCBFPPYSQJZ-XLAORIBOSA-N 1 3 356.432 3.190 20 0 FGADHO CN(Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388897 718815410 /nfs/dbraw/zinc/81/54/10/718815410.db2.gz RJVLZXUDDPRFPG-KRWDZBQOSA-N 1 3 368.447 3.187 20 0 FGADHO C[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](C)CN1 ZINC000652613506 718966380 /nfs/dbraw/zinc/96/63/80/718966380.db2.gz VLWBXAHKZVXPPE-HZPDHXFCSA-N 1 3 362.543 3.089 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623347 719104644 /nfs/dbraw/zinc/10/46/44/719104644.db2.gz CNFQIXFCXCZVFK-NHCUHLMSSA-N 1 3 350.510 3.244 20 0 FGADHO CN(C)Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623347 719104650 /nfs/dbraw/zinc/10/46/50/719104650.db2.gz CNFQIXFCXCZVFK-NHCUHLMSSA-N 1 3 350.510 3.244 20 0 FGADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657354351 719631740 /nfs/dbraw/zinc/63/17/40/719631740.db2.gz OUNNIIAQFRMJEH-UHFFFAOYSA-N 1 3 358.917 3.485 20 0 FGADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000658113952 719759013 /nfs/dbraw/zinc/75/90/13/719759013.db2.gz IQCRATHKAYUNBX-RKNHFHLDSA-N 1 3 352.563 3.185 20 0 FGADHO OC1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971400 /nfs/dbraw/zinc/97/14/00/719971400.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 1 3 360.567 3.231 20 0 FGADHO OC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971404 /nfs/dbraw/zinc/97/14/04/719971404.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 1 3 360.567 3.231 20 0 FGADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c1 ZINC000661767960 720316303 /nfs/dbraw/zinc/31/63/03/720316303.db2.gz SFYKZHGWYVILDU-PBGAUENZSA-N 1 3 366.933 3.030 20 0 FGADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1 ZINC000661767960 720316315 /nfs/dbraw/zinc/31/63/15/720316315.db2.gz SFYKZHGWYVILDU-PBGAUENZSA-N 1 3 366.933 3.030 20 0 FGADHO C[C@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151193 720384522 /nfs/dbraw/zinc/38/45/22/720384522.db2.gz FTVXWLLIYVOYTB-KDOFPFPSSA-N 1 3 356.432 3.340 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644671 721325529 /nfs/dbraw/zinc/32/55/29/721325529.db2.gz GATPDDQMSWQAAN-YESZJQIVSA-N 1 3 364.559 3.090 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799998 722409856 /nfs/dbraw/zinc/40/98/56/722409856.db2.gz NVPSAQQPLOPGMH-IRXDYDNUSA-N 1 3 353.551 3.344 20 0 FGADHO COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cc1CN1CCCCC1 ZINC000760036227 723034757 /nfs/dbraw/zinc/03/47/57/723034757.db2.gz DKSZDSOCOXIZNG-RHSMWYFYSA-N 1 3 356.457 3.348 20 0 FGADHO CC(C)(C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000790747470 723172996 /nfs/dbraw/zinc/17/29/96/723172996.db2.gz DLVAMJRPFFSWBJ-KRWDZBQOSA-N 1 3 353.551 3.488 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000790749129 723173124 /nfs/dbraw/zinc/17/31/24/723173124.db2.gz CXWSHUWLCUXDLD-CVEARBPZSA-N 1 3 360.489 3.455 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@@H+]1CCC[C@H]1C ZINC000766271359 723565404 /nfs/dbraw/zinc/56/54/04/723565404.db2.gz UGDLQZNTEKJVBH-UONOGXRCSA-N 1 3 368.319 3.240 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[N@H+]1CCC[C@H]1C ZINC000766271359 723565405 /nfs/dbraw/zinc/56/54/05/723565405.db2.gz UGDLQZNTEKJVBH-UONOGXRCSA-N 1 3 368.319 3.240 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CC1 ZINC000796691855 723650363 /nfs/dbraw/zinc/65/03/63/723650363.db2.gz FVDIKHWEQZCPIC-CVEARBPZSA-N 1 3 353.938 3.334 20 0 FGADHO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000775579707 724003183 /nfs/dbraw/zinc/00/31/83/724003183.db2.gz DTLRDMLAQXLQQI-DLBZAZTESA-N 1 3 351.535 3.240 20 0 FGADHO CCn1nc(C)c(CNCC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000823801434 729305714 /nfs/dbraw/zinc/30/57/14/729305714.db2.gz DPSKYASOYMGCLP-UHFFFAOYSA-N 1 3 361.921 3.262 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104021 729424408 /nfs/dbraw/zinc/42/44/08/729424408.db2.gz UHWNERIQLPKQDS-YOEHRIQHSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@@H](N)CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104021 729424409 /nfs/dbraw/zinc/42/44/09/729424409.db2.gz UHWNERIQLPKQDS-YOEHRIQHSA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104020 729424428 /nfs/dbraw/zinc/42/44/28/729424428.db2.gz UHWNERIQLPKQDS-WMLDXEAASA-N 1 3 366.937 3.062 20 0 FGADHO Cc1cc([C@H](N)CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104020 729424429 /nfs/dbraw/zinc/42/44/29/729424429.db2.gz UHWNERIQLPKQDS-WMLDXEAASA-N 1 3 366.937 3.062 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000841036348 730205150 /nfs/dbraw/zinc/20/51/50/730205150.db2.gz LRZRXLYGDYBJDX-AWEZNQCLSA-N 1 3 350.869 3.122 20 0 FGADHO CC(C)(C)OC(=O)N1CCC2(CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000843127525 730589332 /nfs/dbraw/zinc/58/93/32/730589332.db2.gz DPFCLXXNIXRUMK-IBGZPJMESA-N 1 3 351.535 3.099 20 0 FGADHO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843353229 730609953 /nfs/dbraw/zinc/60/99/53/730609953.db2.gz VNHLRXGFEIYJRJ-UHFFFAOYSA-N 1 3 363.811 3.499 20 0 FGADHO CN(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000849099934 731229351 /nfs/dbraw/zinc/22/93/51/731229351.db2.gz KQJONDBSEYFTGR-UHFFFAOYSA-N 1 3 358.408 3.074 20 0 FGADHO CCc1cccc(CC)c1NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849275928 731240538 /nfs/dbraw/zinc/24/05/38/731240538.db2.gz ZUYYDSJEJIRXGB-INIZCTEOSA-N 1 3 364.603 3.370 20 0 FGADHO CCc1cccc(CC)c1NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849275928 731240540 /nfs/dbraw/zinc/24/05/40/731240540.db2.gz ZUYYDSJEJIRXGB-INIZCTEOSA-N 1 3 364.603 3.370 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239514 731686205 /nfs/dbraw/zinc/68/62/05/731686205.db2.gz GYOUEAAGZMEELL-HOCLYGCPSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239514 731686208 /nfs/dbraw/zinc/68/62/08/731686208.db2.gz GYOUEAAGZMEELL-HOCLYGCPSA-N 1 3 364.921 3.164 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853239514 731686211 /nfs/dbraw/zinc/68/62/11/731686211.db2.gz GYOUEAAGZMEELL-HOCLYGCPSA-N 1 3 364.921 3.164 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000853239148 731686240 /nfs/dbraw/zinc/68/62/40/731686240.db2.gz BHDBEGVTDJWYPK-BBWFWOEESA-N 1 3 358.473 3.065 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040672 /nfs/dbraw/zinc/04/06/72/732040672.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 1 3 353.457 3.420 20 0 FGADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040675 /nfs/dbraw/zinc/04/06/75/732040675.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 1 3 353.457 3.420 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866353217 733339066 /nfs/dbraw/zinc/33/90/66/733339066.db2.gz PXTMARXBYNJJMV-CYBMUJFWSA-N 1 3 350.894 3.158 20 0 FGADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000876722807 736136562 /nfs/dbraw/zinc/13/65/62/736136562.db2.gz FNHXDZYWUWBXTI-CABCVRRESA-N 1 3 371.428 3.186 20 0 FGADHO COC(=O)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1Br ZINC000876906696 736161523 /nfs/dbraw/zinc/16/15/23/736161523.db2.gz FYEJXKDKVKOLPD-UHFFFAOYSA-N 1 3 369.303 3.198 20 0 FGADHO CCC1(NC(=O)OC(C)(C)C)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000883283169 737546873 /nfs/dbraw/zinc/54/68/73/737546873.db2.gz SMWZSZRURPSPMI-SJPCQFCGSA-N 1 3 351.535 3.381 20 0 FGADHO CCC1(NC(=O)OC(C)(C)C)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000883283169 737546881 /nfs/dbraw/zinc/54/68/81/737546881.db2.gz SMWZSZRURPSPMI-SJPCQFCGSA-N 1 3 351.535 3.381 20 0 FGADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000895479956 742416930 /nfs/dbraw/zinc/41/69/30/742416930.db2.gz YKXNRHPCHQBJSU-OKZBNKHCSA-N 1 3 351.535 3.001 20 0 FGADHO CCOC(=O)c1ncc(CNC2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000896388009 742543485 /nfs/dbraw/zinc/54/34/85/742543485.db2.gz PWMWKDRWPRBUAI-UHFFFAOYSA-N 1 3 351.516 3.207 20 0 FGADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723905 743879278 /nfs/dbraw/zinc/87/92/78/743879278.db2.gz JHJPMVUQYBEGMR-UYAOXDASSA-N 1 3 362.901 3.003 20 0 FGADHO CCN(CC)[C@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000915126711 757884176 /nfs/dbraw/zinc/88/41/76/757884176.db2.gz LLKHGRBEYYEXJH-IAGOWNOFSA-N 1 3 368.616 3.079 20 0 FGADHO CCN(CC)[C@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126711 757884182 /nfs/dbraw/zinc/88/41/82/757884182.db2.gz LLKHGRBEYYEXJH-IAGOWNOFSA-N 1 3 368.616 3.079 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688964 758771054 /nfs/dbraw/zinc/77/10/54/758771054.db2.gz MVLBPIYLXOKYRU-RCCFBDPRSA-N 1 3 353.551 3.390 20 0 FGADHO CSCc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000921979054 758832475 /nfs/dbraw/zinc/83/24/75/758832475.db2.gz BPNOKZVXROKQET-OAQYLSRUSA-N 1 3 356.535 3.406 20 0 FGADHO CSCc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000921979054 758832484 /nfs/dbraw/zinc/83/24/84/758832484.db2.gz BPNOKZVXROKQET-OAQYLSRUSA-N 1 3 356.535 3.406 20 0 FGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388531 758910454 /nfs/dbraw/zinc/91/04/54/758910454.db2.gz QUNZSDBPCSPEPW-OAFZBRQQSA-N 1 3 351.560 3.010 20 0 FGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(C(C)(C)C)s1)C2 ZINC000922388531 758910460 /nfs/dbraw/zinc/91/04/60/758910460.db2.gz QUNZSDBPCSPEPW-OAFZBRQQSA-N 1 3 351.560 3.010 20 0 FGADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925778918 759535225 /nfs/dbraw/zinc/53/52/25/759535225.db2.gz VHYYTBJARRNBGQ-CMPLNLGQSA-N 1 3 365.237 3.354 20 0 FGADHO CN1C[C@]2(C)C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000931305782 760823229 /nfs/dbraw/zinc/82/32/29/760823229.db2.gz DAMULVSSJOSUSK-DOPJRALCSA-N 1 3 373.324 3.007 20 0 FGADHO CN1C[C@]2(C)C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000931305782 760823243 /nfs/dbraw/zinc/82/32/43/760823243.db2.gz DAMULVSSJOSUSK-DOPJRALCSA-N 1 3 373.324 3.007 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2cc(C)sc2C)CC[N@@H+]1C ZINC001027892713 766104517 /nfs/dbraw/zinc/10/45/17/766104517.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2cc(C)sc2C)CC[N@H+]1C ZINC001027892713 766104519 /nfs/dbraw/zinc/10/45/19/766104519.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001046334423 766587051 /nfs/dbraw/zinc/58/70/51/766587051.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001046334423 766587056 /nfs/dbraw/zinc/58/70/56/766587056.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 1 3 363.571 3.176 20 0 FGADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000567983130 505590175 /nfs/dbraw/zinc/59/01/75/505590175.db2.gz QXBFAJIOJDZQPR-PXNSSMCTSA-N 1 3 371.550 3.323 20 0 FGADHO CC[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(CC)CC ZINC000573716062 505602660 /nfs/dbraw/zinc/60/26/60/505602660.db2.gz OCORFYIXGLRADH-SJLPKXTDSA-N 1 3 353.938 3.222 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000573840016 505632993 /nfs/dbraw/zinc/63/29/93/505632993.db2.gz NGVHVKZEPSTDHT-VGSWGCGISA-N 1 3 363.505 3.215 20 0 FGADHO C[NH+](C)CCc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000577121226 505668423 /nfs/dbraw/zinc/66/84/23/505668423.db2.gz AXRYGULDNRDSPH-UHFFFAOYSA-N 1 3 357.542 3.129 20 0 FGADHO CN1CCC(O)(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000577152202 505674636 /nfs/dbraw/zinc/67/46/36/505674636.db2.gz BNWQHDMAOMZYPY-UHFFFAOYSA-N 1 3 352.522 3.134 20 0 FGADHO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000050800521 493935846 /nfs/dbraw/zinc/93/58/46/493935846.db2.gz ZAXFMXCSOSKSFD-JXFKEZNVSA-N 1 3 373.541 3.010 20 0 FGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165088 505692977 /nfs/dbraw/zinc/69/29/77/505692977.db2.gz VMVJBIUHJKPFFD-HDICACEKSA-N 1 3 357.542 3.282 20 0 FGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165088 505692981 /nfs/dbraw/zinc/69/29/81/505692981.db2.gz VMVJBIUHJKPFFD-HDICACEKSA-N 1 3 357.542 3.282 20 0 FGADHO C[NH+](C)CCOc1ccc(CNCc2ccccc2Cn2ccnc2)cc1 ZINC000069675977 493996603 /nfs/dbraw/zinc/99/66/03/493996603.db2.gz YCQAYUKHWKXBTC-UHFFFAOYSA-N 1 3 364.493 3.162 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000069729261 494003573 /nfs/dbraw/zinc/00/35/73/494003573.db2.gz XXSANSYRMJNZAZ-KRWDZBQOSA-N 1 3 364.559 3.011 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000069729261 494003577 /nfs/dbraw/zinc/00/35/77/494003577.db2.gz XXSANSYRMJNZAZ-KRWDZBQOSA-N 1 3 364.559 3.011 20 0 FGADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085364898 494117637 /nfs/dbraw/zinc/11/76/37/494117637.db2.gz LTQLEBMHOZIVOR-MOPGFXCFSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000089215224 494273788 /nfs/dbraw/zinc/27/37/88/494273788.db2.gz YJMDFFBSIWGOOT-INIZCTEOSA-N 1 3 373.522 3.052 20 0 FGADHO Cc1cc2ncc([C@H](C)[NH2+]CC3CCN(c4ccncc4)CC3)c(C)n2n1 ZINC000089215346 494273966 /nfs/dbraw/zinc/27/39/66/494273966.db2.gz CHBQQMSIAZZTKN-INIZCTEOSA-N 1 3 364.497 3.308 20 0 FGADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577372469 505714995 /nfs/dbraw/zinc/71/49/95/505714995.db2.gz YAGZZMCWOBLRPR-QGZVFWFLSA-N 1 3 360.420 3.473 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000090038563 494431334 /nfs/dbraw/zinc/43/13/34/494431334.db2.gz RUFJDSFMTVJXLM-JOCHJYFZSA-N 1 3 365.521 3.089 20 0 FGADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000079610811 494492642 /nfs/dbraw/zinc/49/26/42/494492642.db2.gz UXIPBXHOLTWNPD-NRFANRHFSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000074228245 494501873 /nfs/dbraw/zinc/50/18/73/494501873.db2.gz GIAPDOSCNHVGCF-JKSUJKDBSA-N 1 3 357.498 3.345 20 0 FGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000074228245 494501877 /nfs/dbraw/zinc/50/18/77/494501877.db2.gz GIAPDOSCNHVGCF-JKSUJKDBSA-N 1 3 357.498 3.345 20 0 FGADHO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000090964761 494506734 /nfs/dbraw/zinc/50/67/34/494506734.db2.gz QFMJLBHWWYMHDY-VQIMIIECSA-N 1 3 370.493 3.290 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)C1 ZINC000067280755 494507567 /nfs/dbraw/zinc/50/75/67/494507567.db2.gz BKGMEGJXQYEEFN-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)C1 ZINC000067280755 494507572 /nfs/dbraw/zinc/50/75/72/494507572.db2.gz BKGMEGJXQYEEFN-HXUWFJFHSA-N 1 3 360.546 3.012 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000067385071 494528702 /nfs/dbraw/zinc/52/87/02/494528702.db2.gz HKWNBVGABQXTCN-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CN(c1ccccc1CN1CCC(n2cccn2)CC1)C1CC[NH+](C)CC1 ZINC000092618018 494689041 /nfs/dbraw/zinc/68/90/41/494689041.db2.gz RZTXRSXUSIBWRK-UHFFFAOYSA-N 1 3 367.541 3.251 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccccc3)c2)C1 ZINC000108420710 494703247 /nfs/dbraw/zinc/70/32/47/494703247.db2.gz YIKOSLRTRRDWAN-PXWJQCMDSA-N 1 3 363.505 3.187 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccccc3)c2)C1 ZINC000108420710 494703251 /nfs/dbraw/zinc/70/32/51/494703251.db2.gz YIKOSLRTRRDWAN-PXWJQCMDSA-N 1 3 363.505 3.187 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000121355344 494717996 /nfs/dbraw/zinc/71/79/96/494717996.db2.gz NEZPEPJWFGPOBF-HOTGVXAUSA-N 1 3 353.938 3.273 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126483067 494767052 /nfs/dbraw/zinc/76/70/52/494767052.db2.gz KWJIUITUUAEXLQ-FCEUIQTBSA-N 1 3 367.537 3.126 20 0 FGADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126483067 494767058 /nfs/dbraw/zinc/76/70/58/494767058.db2.gz KWJIUITUUAEXLQ-FCEUIQTBSA-N 1 3 367.537 3.126 20 0 FGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126545860 494784957 /nfs/dbraw/zinc/78/49/57/494784957.db2.gz HQGIFBOPZFDQGW-QFIPXVFZSA-N 1 3 371.569 3.396 20 0 FGADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116529058 494808868 /nfs/dbraw/zinc/80/88/68/494808868.db2.gz SQDVFBGQYSTAAK-MSOLQXFVSA-N 1 3 360.546 3.242 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)C[NH+](C)C ZINC000132100733 494820204 /nfs/dbraw/zinc/82/02/04/494820204.db2.gz KPSRFPDQYDTQTE-OAHLLOKOSA-N 1 3 353.938 3.254 20 0 FGADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121709943 494843098 /nfs/dbraw/zinc/84/30/98/494843098.db2.gz RLWMDTLXLGEELY-VSKRKVRLSA-N 1 3 370.537 3.081 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852631 494849632 /nfs/dbraw/zinc/84/96/32/494849632.db2.gz GBJLAPZGWMNJIG-UKRRQHHQSA-N 1 3 373.310 3.476 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852631 494849634 /nfs/dbraw/zinc/84/96/34/494849634.db2.gz GBJLAPZGWMNJIG-UKRRQHHQSA-N 1 3 373.310 3.476 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906209 494886558 /nfs/dbraw/zinc/88/65/58/494886558.db2.gz XZULMCUZIGRGJX-QFIPXVFZSA-N 1 3 371.569 3.396 20 0 FGADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000093769447 494919159 /nfs/dbraw/zinc/91/91/59/494919159.db2.gz PJGLRRFASLIOSW-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000093769447 494919163 /nfs/dbraw/zinc/91/91/63/494919163.db2.gz PJGLRRFASLIOSW-UHFFFAOYSA-N 1 3 358.530 3.213 20 0 FGADHO CCn1nc(C)c(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844292 494927139 /nfs/dbraw/zinc/92/71/39/494927139.db2.gz BTCCQKZDQRXVPB-CALCHBBNSA-N 1 3 362.562 3.231 20 0 FGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000122403384 494970007 /nfs/dbraw/zinc/97/00/07/494970007.db2.gz DAWKWYNUIWDSIQ-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128411640 495092302 /nfs/dbraw/zinc/09/23/02/495092302.db2.gz JKZSOPLZLMPPKQ-DLBZAZTESA-N 1 3 360.571 3.406 20 0 FGADHO CC(C)(C)[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000119153899 495105160 /nfs/dbraw/zinc/10/51/60/495105160.db2.gz SDHZKDKLEVQOCP-HXUWFJFHSA-N 1 3 359.558 3.211 20 0 FGADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000128573043 495118590 /nfs/dbraw/zinc/11/85/90/495118590.db2.gz FROAGILBCLDKNZ-GOSISDBHSA-N 1 3 355.473 3.356 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123401343 495127180 /nfs/dbraw/zinc/12/71/80/495127180.db2.gz GMPBOLXWQCHJOS-IAGOWNOFSA-N 1 3 363.521 3.445 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123585051 495155312 /nfs/dbraw/zinc/15/53/12/495155312.db2.gz PLJZBERUWYCKDY-AWEZNQCLSA-N 1 3 360.889 3.304 20 0 FGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1cccc(C[NH+](C)C)c1 ZINC000123585051 495155318 /nfs/dbraw/zinc/15/53/18/495155318.db2.gz PLJZBERUWYCKDY-AWEZNQCLSA-N 1 3 360.889 3.304 20 0 FGADHO C[NH+]1CCC(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000112373880 495181913 /nfs/dbraw/zinc/18/19/13/495181913.db2.gz PXEOZEYYZLRSDD-UHFFFAOYSA-N 1 3 363.303 3.271 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000119656249 495211703 /nfs/dbraw/zinc/21/17/03/495211703.db2.gz KXGLQYVMIOAOGD-INIZCTEOSA-N 1 3 357.498 3.202 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000119656249 495211706 /nfs/dbraw/zinc/21/17/06/495211706.db2.gz KXGLQYVMIOAOGD-INIZCTEOSA-N 1 3 357.498 3.202 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN3CCCC3)cc2)C1 ZINC000112742449 495234069 /nfs/dbraw/zinc/23/40/69/495234069.db2.gz BSSMCLNOEIMVFO-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN3CCCC3)cc2)C1 ZINC000112742449 495234073 /nfs/dbraw/zinc/23/40/73/495234073.db2.gz BSSMCLNOEIMVFO-LJQANCHMSA-N 1 3 372.557 3.156 20 0 FGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129490118 495252568 /nfs/dbraw/zinc/25/25/68/495252568.db2.gz SNHBEYOHMOLPNA-UTKZUKDTSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129490118 495252570 /nfs/dbraw/zinc/25/25/70/495252570.db2.gz SNHBEYOHMOLPNA-UTKZUKDTSA-N 1 3 351.494 3.235 20 0 FGADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129655439 495276530 /nfs/dbraw/zinc/27/65/30/495276530.db2.gz AMOXHMJYDGNCHK-IAGOWNOFSA-N 1 3 371.447 3.189 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135365858 495282696 /nfs/dbraw/zinc/28/26/96/495282696.db2.gz CPJRYSBSSJYFNP-QFIPXVFZSA-N 1 3 371.569 3.463 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)c2)CC1 ZINC000568760177 505772370 /nfs/dbraw/zinc/77/23/70/505772370.db2.gz NXXCGPHUMSUKPP-GOSISDBHSA-N 1 3 372.557 3.181 20 0 FGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000568768167 505773599 /nfs/dbraw/zinc/77/35/99/505773599.db2.gz IFEIIXBLJKDOCJ-SJORKVTESA-N 1 3 367.331 3.357 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000129971131 495321851 /nfs/dbraw/zinc/32/18/51/495321851.db2.gz SUPKZUYMEVLIJS-LJQANCHMSA-N 1 3 357.542 3.220 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000129971131 495321856 /nfs/dbraw/zinc/32/18/56/495321856.db2.gz SUPKZUYMEVLIJS-LJQANCHMSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000113901153 495334419 /nfs/dbraw/zinc/33/44/19/495334419.db2.gz CDCAJZCPKRASND-QUCCMNQESA-N 1 3 357.542 3.475 20 0 FGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000113901153 495334425 /nfs/dbraw/zinc/33/44/25/495334425.db2.gz CDCAJZCPKRASND-QUCCMNQESA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(OCCN(C)C)cc1 ZINC000130553369 495410358 /nfs/dbraw/zinc/41/03/58/495410358.db2.gz UJOLGUUICKJUCZ-KRWDZBQOSA-N 1 3 352.482 3.168 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3C(C)(C)C)CC2)CC1 ZINC000125282826 495418958 /nfs/dbraw/zinc/41/89/58/495418958.db2.gz AGZFTBIOFSKHHN-UHFFFAOYSA-N 1 3 357.542 3.273 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670410 495430852 /nfs/dbraw/zinc/43/08/52/495430852.db2.gz COHHZIMLAMQDDO-GCJKJVERSA-N 1 3 359.558 3.227 20 0 FGADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388344 495450752 /nfs/dbraw/zinc/45/07/52/495450752.db2.gz SROVAUUZNOTIST-HNAYVOBHSA-N 1 3 354.922 3.195 20 0 FGADHO CC[NH+](CC)CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000125530543 495459430 /nfs/dbraw/zinc/45/94/30/495459430.db2.gz IGYWNADEKNYPCV-UHFFFAOYSA-N 1 3 360.546 3.204 20 0 FGADHO CN(CCNC(=O)C1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000130903698 495463981 /nfs/dbraw/zinc/46/39/81/495463981.db2.gz ZITDXBADUGBHRK-UHFFFAOYSA-N 1 3 371.550 3.208 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCCC1 ZINC000125565596 495464001 /nfs/dbraw/zinc/46/40/01/495464001.db2.gz CAFINOLSIBHILU-CABCVRRESA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCCC1 ZINC000125565596 495464005 /nfs/dbraw/zinc/46/40/05/495464005.db2.gz CAFINOLSIBHILU-CABCVRRESA-N 1 3 352.910 3.164 20 0 FGADHO CN(C[C@H](O)CCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182426308 495559440 /nfs/dbraw/zinc/55/94/40/495559440.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 1 3 352.522 3.434 20 0 FGADHO CN(C[C@H](O)CCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182426308 495559447 /nfs/dbraw/zinc/55/94/47/495559447.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 1 3 352.522 3.434 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182444084 495566386 /nfs/dbraw/zinc/56/63/86/495566386.db2.gz DDOJEGUDKUBSNE-XLIONFOSSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444084 495566391 /nfs/dbraw/zinc/56/63/91/495566391.db2.gz DDOJEGUDKUBSNE-XLIONFOSSA-N 1 3 372.557 3.200 20 0 FGADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000173618805 495617729 /nfs/dbraw/zinc/61/77/29/495617729.db2.gz WPYGUCCJXRGGPM-JKSUJKDBSA-N 1 3 357.498 3.461 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CC2CCOCC2)CC1 ZINC000179626907 495665745 /nfs/dbraw/zinc/66/57/45/495665745.db2.gz DDBIRDPFHOYWOC-UHFFFAOYSA-N 1 3 373.585 3.189 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CC2CCOCC2)CC1 ZINC000179626907 495665750 /nfs/dbraw/zinc/66/57/50/495665750.db2.gz DDBIRDPFHOYWOC-UHFFFAOYSA-N 1 3 373.585 3.189 20 0 FGADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185704160 495688817 /nfs/dbraw/zinc/68/88/17/495688817.db2.gz KNGIUZFEEGKCQI-LJQANCHMSA-N 1 3 372.557 3.215 20 0 FGADHO CC[NH+](CC)CCCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000182764634 495693927 /nfs/dbraw/zinc/69/39/27/495693927.db2.gz MLYCSEAFBQDGSN-UHFFFAOYSA-N 1 3 370.541 3.300 20 0 FGADHO CN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(Cc2ccccc2)CC1 ZINC000176565152 495700884 /nfs/dbraw/zinc/70/08/84/495700884.db2.gz RSYRKSJPQJHOBF-CTNGQTDRSA-N 1 3 372.557 3.165 20 0 FGADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1OC(F)F ZINC000150986087 495702467 /nfs/dbraw/zinc/70/24/67/495702467.db2.gz FCRFXFFRARFESQ-KRWDZBQOSA-N 1 3 355.473 3.355 20 0 FGADHO CC(C)C[C@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151048493 495722682 /nfs/dbraw/zinc/72/26/82/495722682.db2.gz VWIWCXXWVNHLTM-IBGZPJMESA-N 1 3 361.574 3.351 20 0 FGADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884320 495770143 /nfs/dbraw/zinc/77/01/43/495770143.db2.gz KHYCGCYWIZYGGF-CALCHBBNSA-N 1 3 362.562 3.039 20 0 FGADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884320 495770148 /nfs/dbraw/zinc/77/01/48/495770148.db2.gz KHYCGCYWIZYGGF-CALCHBBNSA-N 1 3 362.562 3.039 20 0 FGADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000176917328 495840049 /nfs/dbraw/zinc/84/00/49/495840049.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 1 3 372.509 3.142 20 0 FGADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000176917328 495840054 /nfs/dbraw/zinc/84/00/54/495840054.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 1 3 372.509 3.142 20 0 FGADHO C[C@H](NCc1cccnc1-n1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151497000 495857728 /nfs/dbraw/zinc/85/77/28/495857728.db2.gz LFSREMIOXVLWPZ-KRWDZBQOSA-N 1 3 365.481 3.059 20 0 FGADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132644 495873264 /nfs/dbraw/zinc/87/32/64/495873264.db2.gz HLPWQAVQHNQLMJ-WVUPVLJSSA-N 1 3 350.506 3.375 20 0 FGADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132644 495873267 /nfs/dbraw/zinc/87/32/67/495873267.db2.gz HLPWQAVQHNQLMJ-WVUPVLJSSA-N 1 3 350.506 3.375 20 0 FGADHO CCCN1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 ZINC000183206877 495880575 /nfs/dbraw/zinc/88/05/75/495880575.db2.gz JEWBGSBYHSVZHF-FQEVSTJZSA-N 1 3 365.949 3.177 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1OC ZINC000183340072 495937519 /nfs/dbraw/zinc/93/75/19/495937519.db2.gz KGGQLTWLFZQDBT-HNAYVOBHSA-N 1 3 356.514 3.468 20 0 FGADHO O=C(CN(C1CC1)C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171616648 495949202 /nfs/dbraw/zinc/94/92/02/495949202.db2.gz HUEDGWYDVVSOCG-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000180508955 496026141 /nfs/dbraw/zinc/02/61/41/496026141.db2.gz VRPRKWGJPQBAMS-UHFFFAOYSA-N 1 3 368.525 3.164 20 0 FGADHO CC[NH+]1CCC(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000577928585 505819801 /nfs/dbraw/zinc/81/98/01/505819801.db2.gz GFLDZSBLZYKNKU-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ncsc1CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177484476 496081220 /nfs/dbraw/zinc/08/12/20/496081220.db2.gz WQDMEWOUKGIANK-HZPDHXFCSA-N 1 3 351.560 3.205 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000156465035 496252643 /nfs/dbraw/zinc/25/26/43/496252643.db2.gz HPWQHSZJCFHVGD-QGZVFWFLSA-N 1 3 369.509 3.228 20 0 FGADHO c1ccc(CN2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)nc1 ZINC000162202214 496313524 /nfs/dbraw/zinc/31/35/24/496313524.db2.gz VBFXUXCOLKFKRK-UHFFFAOYSA-N 1 3 356.558 3.433 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187478367 496458081 /nfs/dbraw/zinc/45/80/81/496458081.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 1 3 374.573 3.126 20 0 FGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187478367 496458085 /nfs/dbraw/zinc/45/80/85/496458085.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 1 3 374.573 3.126 20 0 FGADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1Cl ZINC000580828888 505847379 /nfs/dbraw/zinc/84/73/79/505847379.db2.gz PYHNOKOBGNWMFQ-LJQANCHMSA-N 1 3 374.912 3.465 20 0 FGADHO CC(C)N(C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000184740440 496514139 /nfs/dbraw/zinc/51/41/39/496514139.db2.gz DHJMNRYDTIEDNC-RTBURBONSA-N 1 3 359.558 3.378 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443713 496516686 /nfs/dbraw/zinc/51/66/86/496516686.db2.gz JRGOQBLNVJOWMW-HXUWFJFHSA-N 1 3 357.542 3.279 20 0 FGADHO CC1CCN([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2cccs2)CC1 ZINC000178660553 496531651 /nfs/dbraw/zinc/53/16/51/496531651.db2.gz AQQMDQFOPPFYBZ-OALUTQOASA-N 1 3 371.550 3.380 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178688801 496542410 /nfs/dbraw/zinc/54/24/10/496542410.db2.gz GXIRGBHHKMWQKD-LEWJYISDSA-N 1 3 357.542 3.107 20 0 FGADHO COC[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000187775716 496567192 /nfs/dbraw/zinc/56/71/92/496567192.db2.gz YAEOPWWISIIKLZ-JOCHJYFZSA-N 1 3 360.542 3.450 20 0 FGADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C[C@@H]1OC ZINC000181861154 496575523 /nfs/dbraw/zinc/57/55/23/496575523.db2.gz WLNRYQPJAVHFQF-RTWAWAEBSA-N 1 3 360.542 3.327 20 0 FGADHO C[C@@H](NCCC(=O)Nc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000164970456 496641125 /nfs/dbraw/zinc/64/11/25/496641125.db2.gz AJZNGKQXBDZLEC-QGZVFWFLSA-N 1 3 355.482 3.306 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000173416637 496684220 /nfs/dbraw/zinc/68/42/20/496684220.db2.gz BTWJFCHXTIWBPA-BBWFWOEESA-N 1 3 364.559 3.009 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000173416637 496684224 /nfs/dbraw/zinc/68/42/24/496684224.db2.gz BTWJFCHXTIWBPA-BBWFWOEESA-N 1 3 364.559 3.009 20 0 FGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095591 496707306 /nfs/dbraw/zinc/70/73/06/496707306.db2.gz YFLDPEVMVCKBGB-GUXCAODWSA-N 1 3 352.482 3.467 20 0 FGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095591 496707307 /nfs/dbraw/zinc/70/73/07/496707307.db2.gz YFLDPEVMVCKBGB-GUXCAODWSA-N 1 3 352.482 3.467 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000574813935 505861292 /nfs/dbraw/zinc/86/12/92/505861292.db2.gz RNLYHGHEGDAFOV-LEWJYISDSA-N 1 3 372.557 3.444 20 0 FGADHO C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000168767437 496712157 /nfs/dbraw/zinc/71/21/57/496712157.db2.gz KYJBYWRDVHWOAC-OXQOHEQNSA-N 1 3 355.482 3.292 20 0 FGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000185231710 496712435 /nfs/dbraw/zinc/71/24/35/496712435.db2.gz UECNWTYHAVJRHP-RTBURBONSA-N 1 3 351.579 3.118 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182267818 496723758 /nfs/dbraw/zinc/72/37/58/496723758.db2.gz WDEJDLNZLODMRA-AOMKIAJQSA-N 1 3 367.493 3.062 20 0 FGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182267818 496723760 /nfs/dbraw/zinc/72/37/60/496723760.db2.gz WDEJDLNZLODMRA-AOMKIAJQSA-N 1 3 367.493 3.062 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000246979051 496741767 /nfs/dbraw/zinc/74/17/67/496741767.db2.gz JYCQLFGMHHVUJO-HFTRVMKXSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000246979051 496741770 /nfs/dbraw/zinc/74/17/70/496741770.db2.gz JYCQLFGMHHVUJO-HFTRVMKXSA-N 1 3 366.347 3.348 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000247077578 496772917 /nfs/dbraw/zinc/77/29/17/496772917.db2.gz XKGPYQXXPHNIQX-MBOZVWFJSA-N 1 3 370.541 3.136 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761642 496777392 /nfs/dbraw/zinc/77/73/92/496777392.db2.gz OEQFXZBODTVUJE-NQSCKRDGSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761642 496777394 /nfs/dbraw/zinc/77/73/94/496777394.db2.gz OEQFXZBODTVUJE-NQSCKRDGSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769713 496780461 /nfs/dbraw/zinc/78/04/61/496780461.db2.gz DNKZCIRMQAZSBA-SLYNCCJLSA-N 1 3 354.494 3.371 20 0 FGADHO COc1ccccc1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769713 496780466 /nfs/dbraw/zinc/78/04/66/496780466.db2.gz DNKZCIRMQAZSBA-SLYNCCJLSA-N 1 3 354.494 3.371 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(OC)c(OC)c1 ZINC000268842384 496800018 /nfs/dbraw/zinc/80/00/18/496800018.db2.gz UOFDBJYDCAFVCL-LJQANCHMSA-N 1 3 363.546 3.162 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192543 496801750 /nfs/dbraw/zinc/80/17/50/496801750.db2.gz VTGZSGKJIBKXQT-HZPDHXFCSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192543 496801754 /nfs/dbraw/zinc/80/17/54/496801754.db2.gz VTGZSGKJIBKXQT-HZPDHXFCSA-N 1 3 370.534 3.392 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000268872343 496810147 /nfs/dbraw/zinc/81/01/47/496810147.db2.gz KSNYIKBDHIEFSL-UNMCSNQZSA-N 1 3 371.569 3.132 20 0 FGADHO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000191613630 496832219 /nfs/dbraw/zinc/83/22/19/496832219.db2.gz OXQKIYZHSANWIA-NQIIRXRSSA-N 1 3 356.510 3.190 20 0 FGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000269075190 496865529 /nfs/dbraw/zinc/86/55/29/496865529.db2.gz NJUIHNNAFJVYGT-UKRRQHHQSA-N 1 3 360.445 3.304 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000269074903 496865538 /nfs/dbraw/zinc/86/55/38/496865538.db2.gz YAEGXXWSTGYXEO-GOSISDBHSA-N 1 3 354.494 3.373 20 0 FGADHO C[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)[C@H](N)c1ccccc1 ZINC000269309332 496916327 /nfs/dbraw/zinc/91/63/27/496916327.db2.gz VPHVIFUWSDJPDI-UWJYYQICSA-N 1 3 366.509 3.103 20 0 FGADHO C[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@H](N)c1ccccc1 ZINC000269309332 496916331 /nfs/dbraw/zinc/91/63/31/496916331.db2.gz VPHVIFUWSDJPDI-UWJYYQICSA-N 1 3 366.509 3.103 20 0 FGADHO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264544703 496925871 /nfs/dbraw/zinc/92/58/71/496925871.db2.gz BKKQJMFIBYNWBX-NRFANRHFSA-N 1 3 355.526 3.373 20 0 FGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCOc3ccccc32)C1 ZINC000248434006 497010490 /nfs/dbraw/zinc/01/04/90/497010490.db2.gz DPMCZOXKCSPJJB-CTNGQTDRSA-N 1 3 352.478 3.257 20 0 FGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCOc3ccccc32)C1 ZINC000248434006 497010496 /nfs/dbraw/zinc/01/04/96/497010496.db2.gz DPMCZOXKCSPJJB-CTNGQTDRSA-N 1 3 352.478 3.257 20 0 FGADHO Cc1ccc2cc(CNC3CC[NH+](C4CCN(C)CC4)CC3)ccc2n1 ZINC000189298422 497074156 /nfs/dbraw/zinc/07/41/56/497074156.db2.gz MZNNDOWJNHAIEO-UHFFFAOYSA-N 1 3 352.526 3.191 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393745 497100327 /nfs/dbraw/zinc/10/03/27/497100327.db2.gz ZFQFXDFJUXMACV-OAHLLOKOSA-N 1 3 367.563 3.146 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393745 497100331 /nfs/dbraw/zinc/10/03/31/497100331.db2.gz ZFQFXDFJUXMACV-OAHLLOKOSA-N 1 3 367.563 3.146 20 0 FGADHO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[C@@H](N)c1ccccc1 ZINC000236628526 497123716 /nfs/dbraw/zinc/12/37/16/497123716.db2.gz UOYRAHYRBUROBF-QKNQBKEWSA-N 1 3 357.542 3.293 20 0 FGADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)CCN1Cc1ccccc1 ZINC000278472181 497126677 /nfs/dbraw/zinc/12/66/77/497126677.db2.gz JURMOCJZIAWDDK-VWPQPMDRSA-N 1 3 359.558 3.130 20 0 FGADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@@H+](C)C(C)C)cc12 ZINC000236661499 497128338 /nfs/dbraw/zinc/12/83/38/497128338.db2.gz MZRJYIJFLOFZLR-UHFFFAOYSA-N 1 3 351.498 3.407 20 0 FGADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@H+](C)C(C)C)cc12 ZINC000236661499 497128345 /nfs/dbraw/zinc/12/83/45/497128345.db2.gz MZRJYIJFLOFZLR-UHFFFAOYSA-N 1 3 351.498 3.407 20 0 FGADHO CC1CCN([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236660344 497128607 /nfs/dbraw/zinc/12/86/07/497128607.db2.gz MWHZQDNLASRFDM-FCHUYYIVSA-N 1 3 365.521 3.318 20 0 FGADHO CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236682055 497131974 /nfs/dbraw/zinc/13/19/74/497131974.db2.gz IVPUEAIWXOAGDM-PGRDOPGGSA-N 1 3 371.569 3.211 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000274632910 497134440 /nfs/dbraw/zinc/13/44/40/497134440.db2.gz OEEDZZQHXHFQKU-QGZVFWFLSA-N 1 3 357.542 3.202 20 0 FGADHO CN1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000270515581 497142715 /nfs/dbraw/zinc/14/27/15/497142715.db2.gz YICTVFLLQVCHRT-HNNXBMFYSA-N 1 3 373.722 3.136 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000236907273 497167248 /nfs/dbraw/zinc/16/72/48/497167248.db2.gz FUMMYXUNILZWJF-UWJYYQICSA-N 1 3 353.510 3.481 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000236917766 497167978 /nfs/dbraw/zinc/16/79/78/497167978.db2.gz AGPCRSQFBNTKQG-UWJYYQICSA-N 1 3 353.510 3.481 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237192426 497203247 /nfs/dbraw/zinc/20/32/47/497203247.db2.gz DRTLDVNCKVIPNS-QFIPXVFZSA-N 1 3 365.521 3.100 20 0 FGADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237192426 497203252 /nfs/dbraw/zinc/20/32/52/497203252.db2.gz DRTLDVNCKVIPNS-QFIPXVFZSA-N 1 3 365.521 3.100 20 0 FGADHO CC(C)N1CCN(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000270844928 497213278 /nfs/dbraw/zinc/21/32/78/497213278.db2.gz FRPHYZWHMIYQLS-UHFFFAOYSA-N 1 3 363.521 3.085 20 0 FGADHO COc1cccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237282950 497214388 /nfs/dbraw/zinc/21/43/88/497214388.db2.gz BANIWTOSCXOPLI-LEWJYISDSA-N 1 3 367.493 3.038 20 0 FGADHO C[C@@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237462117 497240871 /nfs/dbraw/zinc/24/08/71/497240871.db2.gz RVTPSSBTLGXKGN-IRXDYDNUSA-N 1 3 363.571 3.102 20 0 FGADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000249749058 497241936 /nfs/dbraw/zinc/24/19/36/497241936.db2.gz PNCKPWKXPNRVMJ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000249749058 497241941 /nfs/dbraw/zinc/24/19/41/497241941.db2.gz PNCKPWKXPNRVMJ-SJLPKXTDSA-N 1 3 366.575 3.162 20 0 FGADHO C[C@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237503820 497247505 /nfs/dbraw/zinc/24/75/05/497247505.db2.gz XPBXUUQBPPNRIB-XQBPLPMBSA-N 1 3 371.569 3.381 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000572124366 505896268 /nfs/dbraw/zinc/89/62/68/505896268.db2.gz SNAVCOWVTCAKDV-GOSISDBHSA-N 1 3 364.493 3.493 20 0 FGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cccnc3C)CC2)c1 ZINC000237721979 497281813 /nfs/dbraw/zinc/28/18/13/497281813.db2.gz KDXOEGXQSUNLIW-UHFFFAOYSA-N 1 3 352.526 3.390 20 0 FGADHO NC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000237824539 497297435 /nfs/dbraw/zinc/29/74/35/497297435.db2.gz ZUHGDKZKEIIFJQ-NRFANRHFSA-N 1 3 351.494 3.031 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000266309794 497301591 /nfs/dbraw/zinc/30/15/91/497301591.db2.gz NWVMZJAPUPOZCU-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000266309794 497301594 /nfs/dbraw/zinc/30/15/94/497301594.db2.gz NWVMZJAPUPOZCU-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547379 497338870 /nfs/dbraw/zinc/33/88/70/497338870.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 1 3 357.542 3.228 20 0 FGADHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000253547379 497338872 /nfs/dbraw/zinc/33/88/72/497338872.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 1 3 357.542 3.228 20 0 FGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275606589 497380392 /nfs/dbraw/zinc/38/03/92/497380392.db2.gz HNUZDQMLJSGZGN-GOSISDBHSA-N 1 3 360.546 3.424 20 0 FGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275606589 497380394 /nfs/dbraw/zinc/38/03/94/497380394.db2.gz HNUZDQMLJSGZGN-GOSISDBHSA-N 1 3 360.546 3.424 20 0 FGADHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000271583705 497390469 /nfs/dbraw/zinc/39/04/69/497390469.db2.gz XGYDVZPBZZVAPQ-SFHVURJKSA-N 1 3 373.497 3.280 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245552679 497452294 /nfs/dbraw/zinc/45/22/94/497452294.db2.gz QPGYQYWBZVVJEK-OOKSDGMUSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828894 497457686 /nfs/dbraw/zinc/45/76/86/497457686.db2.gz YQJRGNOOFMODSS-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828894 497457691 /nfs/dbraw/zinc/45/76/91/497457691.db2.gz YQJRGNOOFMODSS-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828894 497457694 /nfs/dbraw/zinc/45/76/94/497457694.db2.gz YQJRGNOOFMODSS-NRFANRHFSA-N 1 3 353.466 3.478 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000581105213 505910341 /nfs/dbraw/zinc/91/03/41/505910341.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 1 3 360.546 3.021 20 0 FGADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000581105213 505910342 /nfs/dbraw/zinc/91/03/42/505910342.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 1 3 360.546 3.021 20 0 FGADHO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262177500 497520122 /nfs/dbraw/zinc/52/01/22/497520122.db2.gz BGBXUTXPCMTGPR-BJOMATTFSA-N 1 3 369.553 3.263 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000267313319 497523606 /nfs/dbraw/zinc/52/36/06/497523606.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000267313319 497523611 /nfs/dbraw/zinc/52/36/11/497523611.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262354632 497543702 /nfs/dbraw/zinc/54/37/02/497543702.db2.gz UVJLHJSUBTZJHM-YCWUYWEHSA-N 1 3 369.553 3.482 20 0 FGADHO Cc1c(F)cccc1NC(=O)CCNCc1cccc(OCC[NH+](C)C)c1 ZINC000578316175 505913220 /nfs/dbraw/zinc/91/32/20/505913220.db2.gz PWNNJYJTNFHLSA-UHFFFAOYSA-N 1 3 373.472 3.193 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394110 497549736 /nfs/dbraw/zinc/54/97/36/497549736.db2.gz ZCJKYPOTVTUFPH-FECVVGHTSA-N 1 3 355.526 3.092 20 0 FGADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000279860029 497567630 /nfs/dbraw/zinc/56/76/30/497567630.db2.gz SMWJTAVAQBOAOX-KAOXLYBCSA-N 1 3 369.553 3.135 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000246050431 497605143 /nfs/dbraw/zinc/60/51/43/497605143.db2.gz PZCQKJDRLFOELN-TZIWHRDSSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000246050431 497605144 /nfs/dbraw/zinc/60/51/44/497605144.db2.gz PZCQKJDRLFOELN-TZIWHRDSSA-N 1 3 360.542 3.403 20 0 FGADHO C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123919 497630095 /nfs/dbraw/zinc/63/00/95/497630095.db2.gz AIWXBHIFGAKDPI-RTBURBONSA-N 1 3 374.573 3.269 20 0 FGADHO C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144248 497637484 /nfs/dbraw/zinc/63/74/84/497637484.db2.gz CCRDKECQMCLKQR-QWFCFKBJSA-N 1 3 374.573 3.315 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C ZINC000194413498 497658616 /nfs/dbraw/zinc/65/86/16/497658616.db2.gz DFIYUSFICFEIFI-OAQYLSRUSA-N 1 3 354.494 3.250 20 0 FGADHO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C ZINC000194413498 497658619 /nfs/dbraw/zinc/65/86/19/497658619.db2.gz DFIYUSFICFEIFI-OAQYLSRUSA-N 1 3 354.494 3.250 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H](N)c1ccccc1 ZINC000262943364 497662989 /nfs/dbraw/zinc/66/29/89/497662989.db2.gz USAOTGXEFJXCNB-OPYAIIAOSA-N 1 3 365.521 3.349 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246269182 497679221 /nfs/dbraw/zinc/67/92/21/497679221.db2.gz AIWLPQMSEYHIHU-MOPGFXCFSA-N 1 3 374.573 3.393 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000246269182 497679223 /nfs/dbraw/zinc/67/92/23/497679223.db2.gz AIWLPQMSEYHIHU-MOPGFXCFSA-N 1 3 374.573 3.393 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000246281376 497682654 /nfs/dbraw/zinc/68/26/54/497682654.db2.gz CDCAJZCPKRASND-AZUAARDMSA-N 1 3 357.542 3.475 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000246281376 497682659 /nfs/dbraw/zinc/68/26/59/497682659.db2.gz CDCAJZCPKRASND-AZUAARDMSA-N 1 3 357.542 3.475 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000246315052 497694188 /nfs/dbraw/zinc/69/41/88/497694188.db2.gz BOJUBRVKZALGFH-UIFIKXQLSA-N 1 3 374.573 3.223 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)N(C)C)cc1 ZINC000246315052 497694191 /nfs/dbraw/zinc/69/41/91/497694191.db2.gz BOJUBRVKZALGFH-UIFIKXQLSA-N 1 3 374.573 3.223 20 0 FGADHO C[C@]1(O)CCCN(Cc2ccccc2C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257141 497698136 /nfs/dbraw/zinc/69/81/36/497698136.db2.gz XLNAJYIDNMWRSG-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO C[C@]1(O)CCCN(Cc2ccccc2C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257141 497698139 /nfs/dbraw/zinc/69/81/39/497698139.db2.gz XLNAJYIDNMWRSG-VXKWHMMOSA-N 1 3 360.542 3.160 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422205 497729429 /nfs/dbraw/zinc/72/94/29/497729429.db2.gz SPJOMVMBQOTPEC-UHOSZYNNSA-N 1 3 352.567 3.011 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750741 497759660 /nfs/dbraw/zinc/75/96/60/497759660.db2.gz URCDHHZUKIOWMI-RTWAWAEBSA-N 1 3 357.542 3.135 20 0 FGADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000194750741 497759664 /nfs/dbraw/zinc/75/96/64/497759664.db2.gz URCDHHZUKIOWMI-RTWAWAEBSA-N 1 3 357.542 3.135 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531205 497765378 /nfs/dbraw/zinc/76/53/78/497765378.db2.gz VTMDOUDKKPQIHG-SESVDKBCSA-N 1 3 374.573 3.441 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531205 497765381 /nfs/dbraw/zinc/76/53/81/497765381.db2.gz VTMDOUDKKPQIHG-SESVDKBCSA-N 1 3 374.573 3.441 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775516 /nfs/dbraw/zinc/77/55/16/497775516.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 1 3 372.557 3.021 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775521 /nfs/dbraw/zinc/77/55/21/497775521.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 1 3 372.557 3.021 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204771 497954805 /nfs/dbraw/zinc/95/48/05/497954805.db2.gz ZCPTWUIOOUAFGV-QGZVFWFLSA-N 1 3 350.938 3.120 20 0 FGADHO COc1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1OC ZINC000581313414 505958371 /nfs/dbraw/zinc/95/83/71/505958371.db2.gz DSRMYBJPEMJQOE-GASCZTMLSA-N 1 3 373.522 3.259 20 0 FGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523922 505960784 /nfs/dbraw/zinc/96/07/84/505960784.db2.gz VLQYBRRDMKKGOC-ZNMIVQPWSA-N 1 3 370.335 3.384 20 0 FGADHO Fc1cc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)c(F)cn1 ZINC000296330583 498001292 /nfs/dbraw/zinc/00/12/92/498001292.db2.gz HSHAKBPJNIGYJW-UHFFFAOYSA-N 1 3 360.452 3.052 20 0 FGADHO COCCOCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262380 498082595 /nfs/dbraw/zinc/08/25/95/498082595.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 1 3 358.526 3.298 20 0 FGADHO COCCOCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262380 498082602 /nfs/dbraw/zinc/08/26/02/498082602.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 1 3 358.526 3.298 20 0 FGADHO CC[C@@H](CO)N1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000301421923 498102309 /nfs/dbraw/zinc/10/23/09/498102309.db2.gz CYJOOIJQMOOTQU-AWEZNQCLSA-N 1 3 365.424 3.038 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905372 498191989 /nfs/dbraw/zinc/19/19/89/498191989.db2.gz GWJNDSKWIUKEKH-GOSISDBHSA-N 1 3 369.431 3.452 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905372 498191995 /nfs/dbraw/zinc/19/19/95/498191995.db2.gz GWJNDSKWIUKEKH-GOSISDBHSA-N 1 3 369.431 3.452 20 0 FGADHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(=O)OC)cc1 ZINC000293248444 498321217 /nfs/dbraw/zinc/32/12/17/498321217.db2.gz BLIHVSUSWYHTDJ-UZLBHIALSA-N 1 3 360.498 3.015 20 0 FGADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000581596204 506024247 /nfs/dbraw/zinc/02/42/47/506024247.db2.gz GHAVMMMIBBLERU-UHFFFAOYSA-N 1 3 356.514 3.108 20 0 FGADHO O=C1O[C@@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278948 498385113 /nfs/dbraw/zinc/38/51/13/498385113.db2.gz XGFZHDNWOMXGPE-HXUWFJFHSA-N 1 3 368.521 3.460 20 0 FGADHO O=C1O[C@@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278948 498385115 /nfs/dbraw/zinc/38/51/15/498385115.db2.gz XGFZHDNWOMXGPE-HXUWFJFHSA-N 1 3 368.521 3.460 20 0 FGADHO C[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000361723456 498423737 /nfs/dbraw/zinc/42/37/37/498423737.db2.gz QCPZNHJCUUUMAA-DNVCBOLYSA-N 1 3 357.523 3.165 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COCc1ccccc1 ZINC000581662140 506039590 /nfs/dbraw/zinc/03/95/90/506039590.db2.gz YAMRZEBDAMZXRU-FQEVSTJZSA-N 1 3 374.550 3.127 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000569878755 506036845 /nfs/dbraw/zinc/03/68/45/506036845.db2.gz JRUKKBWHQIOBQT-UWJYYQICSA-N 1 3 353.510 3.478 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccccc1CN(C)C)[NH+](C)C ZINC000569878754 506037002 /nfs/dbraw/zinc/03/70/02/506037002.db2.gz JRUKKBWHQIOBQT-UTKZUKDTSA-N 1 3 353.510 3.478 20 0 FGADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000362217476 498477103 /nfs/dbraw/zinc/47/71/03/498477103.db2.gz HZXLLQKATPNFFA-NZQKXSOJSA-N 1 3 373.585 3.376 20 0 FGADHO C[C@@H]1C[N@H+](CCCN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793194 498491121 /nfs/dbraw/zinc/49/11/21/498491121.db2.gz UNGPLUMHQOZCCR-LQWHRVPQSA-N 1 3 364.505 3.384 20 0 FGADHO C[C@@H]1C[N@@H+](CCCN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793194 498491131 /nfs/dbraw/zinc/49/11/31/498491131.db2.gz UNGPLUMHQOZCCR-LQWHRVPQSA-N 1 3 364.505 3.384 20 0 FGADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328757 498510547 /nfs/dbraw/zinc/51/05/47/498510547.db2.gz DNHHPTRXOJOTFU-MRXNPFEDSA-N 1 3 359.905 3.084 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297627947 498516628 /nfs/dbraw/zinc/51/66/28/498516628.db2.gz LUDQSTOJGDESBQ-AVRDEDQJSA-N 1 3 350.510 3.161 20 0 FGADHO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000290433219 498550496 /nfs/dbraw/zinc/55/04/96/498550496.db2.gz VFRXEKKSYGBZRD-GGQGVQAJSA-N 1 3 364.489 3.266 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000569961186 506057018 /nfs/dbraw/zinc/05/70/18/506057018.db2.gz ADBOSMJQFJZUNH-WBVHZDCISA-N 1 3 358.448 3.463 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CCC[C@@]1(C)CCCO)C1CCN(C)CC1 ZINC000290553772 498595569 /nfs/dbraw/zinc/59/55/69/498595569.db2.gz RYNPEIFGKMUBSE-QFIPXVFZSA-N 1 3 359.558 3.344 20 0 FGADHO CN(c1ccccc1C[N@H+]1CCC[C@@]1(C)CCCO)C1CCN(C)CC1 ZINC000290553772 498595576 /nfs/dbraw/zinc/59/55/76/498595576.db2.gz RYNPEIFGKMUBSE-QFIPXVFZSA-N 1 3 359.558 3.344 20 0 FGADHO C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290580369 498606693 /nfs/dbraw/zinc/60/66/93/498606693.db2.gz UMEFYFZUWIOSNT-MFHCWRBVSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290580369 498606703 /nfs/dbraw/zinc/60/67/03/498606703.db2.gz UMEFYFZUWIOSNT-MFHCWRBVSA-N 1 3 370.493 3.060 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)N(C)C1CC1 ZINC000303297281 498662424 /nfs/dbraw/zinc/66/24/24/498662424.db2.gz YCHXBXODQGFTQK-SFHVURJKSA-N 1 3 372.557 3.345 20 0 FGADHO FC(F)(F)COc1cnccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298122851 498670452 /nfs/dbraw/zinc/67/04/52/498670452.db2.gz PLZNQZSJPBGRAD-UHFFFAOYSA-N 1 3 366.387 3.176 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000303434846 498673361 /nfs/dbraw/zinc/67/33/61/498673361.db2.gz DFICZRZCLCIZQF-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO Cc1noc(C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2)n1 ZINC000298148230 498677852 /nfs/dbraw/zinc/67/78/52/498677852.db2.gz RGTCZNKXWUHQOC-HXUWFJFHSA-N 1 3 363.465 3.315 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000365866274 498678071 /nfs/dbraw/zinc/67/80/71/498678071.db2.gz LWXYSQIWKRKCPW-FQEVSTJZSA-N 1 3 365.521 3.390 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000365866274 498678073 /nfs/dbraw/zinc/67/80/73/498678073.db2.gz LWXYSQIWKRKCPW-FQEVSTJZSA-N 1 3 365.521 3.390 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000287237554 498683169 /nfs/dbraw/zinc/68/31/69/498683169.db2.gz SOULZBSCPYFFGN-JKWVGCSGSA-N 1 3 372.557 3.118 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000287237554 498683164 /nfs/dbraw/zinc/68/31/64/498683164.db2.gz SOULZBSCPYFFGN-JKWVGCSGSA-N 1 3 372.557 3.118 20 0 FGADHO CCOC(=O)[C@H]1CC[C@@H](NC2CC[NH+](CCCOC)CC2)c2ccccc21 ZINC000283360932 498862529 /nfs/dbraw/zinc/86/25/29/498862529.db2.gz NDSRANYKHACWGR-LEWJYISDSA-N 1 3 374.525 3.259 20 0 FGADHO COC[C@]1(C[NH2+]C2CCN(C3CCCC3)CC2)OCCc2ccccc21 ZINC000579168464 506108117 /nfs/dbraw/zinc/10/81/17/506108117.db2.gz LMQWFWHEFJQJQI-QFIPXVFZSA-N 1 3 358.526 3.098 20 0 FGADHO C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN(C2CC2)C1 ZINC000295413190 499009832 /nfs/dbraw/zinc/00/98/32/499009832.db2.gz SNNJCIHGCZIJLV-IBGZPJMESA-N 1 3 369.553 3.231 20 0 FGADHO CN1CCC([N@@H+]2CC[C@H](N[C@@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829942 499014615 /nfs/dbraw/zinc/01/46/15/499014615.db2.gz UOQIXXCSHCMAEE-UGKGYDQZSA-N 1 3 368.500 3.068 20 0 FGADHO CN1CCC([N@H+]2CC[C@H](N[C@@H](c3ccccc3)c3ccc(F)cn3)C2)CC1 ZINC000363829942 499014624 /nfs/dbraw/zinc/01/46/24/499014624.db2.gz UOQIXXCSHCMAEE-UGKGYDQZSA-N 1 3 368.500 3.068 20 0 FGADHO CCc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1OC ZINC000582071844 506126696 /nfs/dbraw/zinc/12/66/96/506126696.db2.gz FPMGDVOMXBQXBE-UHFFFAOYSA-N 1 3 373.541 3.392 20 0 FGADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196589 499066561 /nfs/dbraw/zinc/06/65/61/499066561.db2.gz SESIWDUNDRESSO-XZOQPEGZSA-N 1 3 371.569 3.228 20 0 FGADHO OC1CC[NH+](Cc2ccccc2CNc2ccncc2-c2cccnc2)CC1 ZINC000366804420 499079232 /nfs/dbraw/zinc/07/92/32/499079232.db2.gz KNFMQBUHYALRAS-UHFFFAOYSA-N 1 3 374.488 3.134 20 0 FGADHO Cc1ccc(C)c(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000367883993 499241445 /nfs/dbraw/zinc/24/14/45/499241445.db2.gz DXMHKLOAJNZKTB-UHFFFAOYSA-N 1 3 366.509 3.485 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370676628 499243321 /nfs/dbraw/zinc/24/33/21/499243321.db2.gz MOROMUSSFUTGSW-NXHRZFHOSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676628 499243323 /nfs/dbraw/zinc/24/33/23/499243323.db2.gz MOROMUSSFUTGSW-NXHRZFHOSA-N 1 3 363.933 3.293 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370705832 499246160 /nfs/dbraw/zinc/24/61/60/499246160.db2.gz JOFWWFBXPGPUGM-CVDCTZTESA-N 1 3 364.537 3.206 20 0 FGADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772935 499253311 /nfs/dbraw/zinc/25/33/11/499253311.db2.gz MSBFXYJGXAIOMJ-LXZKKBNFSA-N 1 3 371.447 3.060 20 0 FGADHO CN(Cc1ccc(CO)cc1)[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260346 /nfs/dbraw/zinc/26/03/46/499260346.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 1 3 368.521 3.158 20 0 FGADHO CN(Cc1ccc(CO)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260347 /nfs/dbraw/zinc/26/03/47/499260347.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 1 3 368.521 3.158 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000368342315 499287217 /nfs/dbraw/zinc/28/72/17/499287217.db2.gz GILUZRDJAXFNFM-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cc(C)cc(OCCCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000368342315 499287219 /nfs/dbraw/zinc/28/72/19/499287219.db2.gz GILUZRDJAXFNFM-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO Cc1cc(C)cc(OCCCN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368342315 499287220 /nfs/dbraw/zinc/28/72/20/499287220.db2.gz GILUZRDJAXFNFM-FQEVSTJZSA-N 1 3 359.558 3.173 20 0 FGADHO C[N@H+](C[C@H]1CC12CCN(C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329859 499311309 /nfs/dbraw/zinc/31/13/09/499311309.db2.gz OPRUVDUVMIRKOE-YLJYHZDGSA-N 1 3 369.509 3.208 20 0 FGADHO C[N@@H+](C[C@H]1CC12CCN(C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329859 499311311 /nfs/dbraw/zinc/31/13/11/499311311.db2.gz OPRUVDUVMIRKOE-YLJYHZDGSA-N 1 3 369.509 3.208 20 0 FGADHO Cc1ccc2cc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930385 499347776 /nfs/dbraw/zinc/34/77/76/499347776.db2.gz KYGNWDDUXVTNDQ-JTSKRJEESA-N 1 3 352.526 3.001 20 0 FGADHO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927510 499380594 /nfs/dbraw/zinc/38/05/94/499380594.db2.gz PYISKMXZWJQZAQ-UNMCSNQZSA-N 1 3 350.510 3.464 20 0 FGADHO Cc1c(-c2cc(CN3CCC4(C[C@@H]4C[N@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352573 499465004 /nfs/dbraw/zinc/46/50/04/499465004.db2.gz FRIRRTSNRVZFTL-MRXNPFEDSA-N 1 3 369.513 3.080 20 0 FGADHO Cc1c(-c2cc(CN3CCC4(C[C@@H]4C[N@@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352573 499465005 /nfs/dbraw/zinc/46/50/05/499465005.db2.gz FRIRRTSNRVZFTL-MRXNPFEDSA-N 1 3 369.513 3.080 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1)CC(C)C ZINC000573231148 506148832 /nfs/dbraw/zinc/14/88/32/506148832.db2.gz UOOWDJOSPRSPMO-UYAOXDASSA-N 1 3 366.594 3.259 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1)CC(C)C ZINC000573231148 506148837 /nfs/dbraw/zinc/14/88/37/506148837.db2.gz UOOWDJOSPRSPMO-UYAOXDASSA-N 1 3 366.594 3.259 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626613 499542237 /nfs/dbraw/zinc/54/22/37/499542237.db2.gz MEOAFJBDLVVUMG-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626613 499542238 /nfs/dbraw/zinc/54/22/38/499542238.db2.gz MEOAFJBDLVVUMG-ILWGZMRPSA-N 1 3 368.521 3.377 20 0 FGADHO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381942235 499545422 /nfs/dbraw/zinc/54/54/22/499545422.db2.gz ZFFSXIMUTSGDCO-CRAIPNDOSA-N 1 3 366.431 3.446 20 0 FGADHO N[C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397554096 499564438 /nfs/dbraw/zinc/56/44/38/499564438.db2.gz JUTFRNFGTIFMRN-OAQYLSRUSA-N 1 3 357.542 3.313 20 0 FGADHO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2ccncc2)CC1 ZINC000376166928 499588468 /nfs/dbraw/zinc/58/84/68/499588468.db2.gz OTNKFTPMAHVMJD-UHFFFAOYSA-N 1 3 362.481 3.011 20 0 FGADHO C[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2ccncc2)CC1 ZINC000376166928 499588469 /nfs/dbraw/zinc/58/84/69/499588469.db2.gz OTNKFTPMAHVMJD-UHFFFAOYSA-N 1 3 362.481 3.011 20 0 FGADHO CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000376318096 499599988 /nfs/dbraw/zinc/59/99/88/499599988.db2.gz FSEGSHPPCJDAPO-PGRDOPGGSA-N 1 3 365.521 3.437 20 0 FGADHO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000411497430 499747709 /nfs/dbraw/zinc/74/77/09/499747709.db2.gz ABCFWQQPLJEWJM-UHFFFAOYSA-N 1 3 355.526 3.277 20 0 FGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1nc2ccccc2c(=O)[nH]1 ZINC000411547391 499753559 /nfs/dbraw/zinc/75/35/59/499753559.db2.gz CEOQZMQZXHYLTP-WMZOPIPTSA-N 1 3 356.514 3.368 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763088 /nfs/dbraw/zinc/76/30/88/499763088.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763089 /nfs/dbraw/zinc/76/30/89/499763089.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763091 /nfs/dbraw/zinc/76/30/91/499763091.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763092 /nfs/dbraw/zinc/76/30/92/499763092.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 1 3 358.555 3.488 20 0 FGADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414181640 499766445 /nfs/dbraw/zinc/76/64/45/499766445.db2.gz CFGGJEIWVOIKQH-FGZHOGPDSA-N 1 3 371.569 3.017 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414197731 499767772 /nfs/dbraw/zinc/76/77/72/499767772.db2.gz PWIDIDVAPSTBRN-NRFANRHFSA-N 1 3 371.569 3.185 20 0 FGADHO CN1CCC(C[NH2+][C@H](c2ccccc2)C2CCCC2)(N2CCOCC2)CC1 ZINC000414207664 499768427 /nfs/dbraw/zinc/76/84/27/499768427.db2.gz ZSIAVSDZJGKFQZ-JOCHJYFZSA-N 1 3 371.569 3.304 20 0 FGADHO OC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC000414302201 499775806 /nfs/dbraw/zinc/77/58/06/499775806.db2.gz KGTOFJGIRMILPQ-YPAWHYETSA-N 1 3 372.553 3.198 20 0 FGADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc2c(c1)COC2 ZINC000414307999 499776027 /nfs/dbraw/zinc/77/60/27/499776027.db2.gz PUVZPXNVQARNSU-SFHVURJKSA-N 1 3 366.505 3.395 20 0 FGADHO C[C@H]1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C[C@H](C)C1 ZINC000414323330 499777558 /nfs/dbraw/zinc/77/75/58/499777558.db2.gz IJZXTIIGPQSTNN-IAGOWNOFSA-N 1 3 357.542 3.298 20 0 FGADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414326380 499777954 /nfs/dbraw/zinc/77/79/54/499777954.db2.gz NPNRZHTXXREJJT-LAUBAEHRSA-N 1 3 357.542 3.442 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414326933 499778309 /nfs/dbraw/zinc/77/83/09/499778309.db2.gz ODFUMSIRSOLDRX-QGZVFWFLSA-N 1 3 357.542 3.442 20 0 FGADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014825 499813262 /nfs/dbraw/zinc/81/32/62/499813262.db2.gz RBMSLBPWJTTYDF-YADHBBJMSA-N 1 3 369.553 3.388 20 0 FGADHO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414694691 499821176 /nfs/dbraw/zinc/82/11/76/499821176.db2.gz DPHXWPYQUMKBAV-OAHLLOKOSA-N 1 3 372.340 3.401 20 0 FGADHO CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414694691 499821177 /nfs/dbraw/zinc/82/11/77/499821177.db2.gz DPHXWPYQUMKBAV-OAHLLOKOSA-N 1 3 372.340 3.401 20 0 FGADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695502 499821284 /nfs/dbraw/zinc/82/12/84/499821284.db2.gz OXSFXUFVCQRLLH-RTWAWAEBSA-N 1 3 359.558 3.307 20 0 FGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695502 499821286 /nfs/dbraw/zinc/82/12/86/499821286.db2.gz OXSFXUFVCQRLLH-RTWAWAEBSA-N 1 3 359.558 3.307 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000412117715 499825199 /nfs/dbraw/zinc/82/51/99/499825199.db2.gz DRRDJEGYKTZCBU-FQEVSTJZSA-N 1 3 355.526 3.230 20 0 FGADHO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751627 499826570 /nfs/dbraw/zinc/82/65/70/499826570.db2.gz SUYABTAOVRUITI-AWEZNQCLSA-N 1 3 358.313 3.013 20 0 FGADHO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751627 499826571 /nfs/dbraw/zinc/82/65/71/499826571.db2.gz SUYABTAOVRUITI-AWEZNQCLSA-N 1 3 358.313 3.013 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771716 499829005 /nfs/dbraw/zinc/82/90/05/499829005.db2.gz AHJROZYAJRHHOK-PBHICJAKSA-N 1 3 356.432 3.496 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](CN)C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771716 499829007 /nfs/dbraw/zinc/82/90/07/499829007.db2.gz AHJROZYAJRHHOK-PBHICJAKSA-N 1 3 356.432 3.496 20 0 FGADHO COc1ccc(-c2ccccc2C)cc1CNCCCN1CC[NH2+]CC1 ZINC000414793259 499831980 /nfs/dbraw/zinc/83/19/80/499831980.db2.gz KAEXXYHKEHZLNS-UHFFFAOYSA-N 1 3 353.510 3.056 20 0 FGADHO CCOc1c(Br)cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800895 499832552 /nfs/dbraw/zinc/83/25/52/499832552.db2.gz LOCRFURECFUGNP-ZFWWWQNUSA-N 1 3 371.319 3.464 20 0 FGADHO CCOc1c(Br)cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800893 499832643 /nfs/dbraw/zinc/83/26/43/499832643.db2.gz LOCRFURECFUGNP-UKRRQHHQSA-N 1 3 371.319 3.464 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414851911 499838085 /nfs/dbraw/zinc/83/80/85/499838085.db2.gz JNMRBQKSXCWJRN-RDBSUJKOSA-N 1 3 368.319 3.144 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906078 499843684 /nfs/dbraw/zinc/84/36/84/499843684.db2.gz LZEWMCSCZDDHTR-CXAGYDPISA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906078 499843686 /nfs/dbraw/zinc/84/36/86/499843686.db2.gz LZEWMCSCZDDHTR-CXAGYDPISA-N 1 3 368.319 3.146 20 0 FGADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412329495 499845180 /nfs/dbraw/zinc/84/51/80/499845180.db2.gz BLVRTAPCXUGRIG-GHTZIAJQSA-N 1 3 355.526 3.371 20 0 FGADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3NCCc4ccccc43)CC2)cc1 ZINC000414950695 499847812 /nfs/dbraw/zinc/84/78/12/499847812.db2.gz FUGBFLOZFJJYTI-HSZRJFAPSA-N 1 3 367.512 3.309 20 0 FGADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414986896 499851888 /nfs/dbraw/zinc/85/18/88/499851888.db2.gz CVGYYJHAGRLMCJ-NEPJUHHUSA-N 1 3 357.292 3.073 20 0 FGADHO COc1cc(Br)c(CNC[C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000415020018 499855684 /nfs/dbraw/zinc/85/56/84/499855684.db2.gz FVTKXKDCITZBQI-HAQNSBGRSA-N 1 3 357.292 3.018 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H](C[NH3+])C1CCCC1 ZINC000415043104 499857640 /nfs/dbraw/zinc/85/76/40/499857640.db2.gz ADUQQRDYQKAMSK-RDTXWAMCSA-N 1 3 351.922 3.184 20 0 FGADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415080502 499861505 /nfs/dbraw/zinc/86/15/05/499861505.db2.gz LTZCDGRNFXGRPM-DHIUTWEWSA-N 1 3 373.500 3.480 20 0 FGADHO O=c1ccccn1Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415080509 499861564 /nfs/dbraw/zinc/86/15/64/499861564.db2.gz LTZCDGRNFXGRPM-XZOQPEGZSA-N 1 3 373.500 3.480 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415130365 499867702 /nfs/dbraw/zinc/86/77/02/499867702.db2.gz QREOPLRJTFWMTA-ZWKOTPCHSA-N 1 3 372.431 3.346 20 0 FGADHO CCOc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1F ZINC000415132274 499868549 /nfs/dbraw/zinc/86/85/49/499868549.db2.gz KQUWGUJDOJVIOZ-UHFFFAOYSA-N 1 3 371.500 3.308 20 0 FGADHO Cc1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(OCCN(C)C)c1 ZINC000415204504 499876495 /nfs/dbraw/zinc/87/64/95/499876495.db2.gz OHQIPRSPOXMJRZ-INIZCTEOSA-N 1 3 370.497 3.277 20 0 FGADHO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415304718 499885137 /nfs/dbraw/zinc/88/51/37/499885137.db2.gz GDFRKDHEEFKTIQ-SFHVURJKSA-N 1 3 374.529 3.063 20 0 FGADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000582231459 506165105 /nfs/dbraw/zinc/16/51/05/506165105.db2.gz XTWMPOGEZLAGCH-CZAAIQMYSA-N 1 3 366.509 3.108 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000415900769 499925799 /nfs/dbraw/zinc/92/57/99/499925799.db2.gz MBOAXEVKLZPZJA-UHFFFAOYSA-N 1 3 352.482 3.192 20 0 FGADHO CNCc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000415907693 499926990 /nfs/dbraw/zinc/92/69/90/499926990.db2.gz BUTUIQYRLVLQMY-GOSISDBHSA-N 1 3 358.530 3.382 20 0 FGADHO CCc1ccc([C@H](CNC(=O)Nc2cccc(C[NH2+]C)c2)N(C)C)cc1 ZINC000415925937 499928997 /nfs/dbraw/zinc/92/89/97/499928997.db2.gz BTUVCQHFPGFIFG-FQEVSTJZSA-N 1 3 354.498 3.393 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949921 499932359 /nfs/dbraw/zinc/93/23/59/499932359.db2.gz CLKHNFIEYQALHP-OAHLLOKOSA-N 1 3 362.493 3.248 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949921 499932361 /nfs/dbraw/zinc/93/23/61/499932361.db2.gz CLKHNFIEYQALHP-OAHLLOKOSA-N 1 3 362.493 3.248 20 0 FGADHO CN(C(=O)Nc1ccc(C[NH3+])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000415972195 499935517 /nfs/dbraw/zinc/93/55/17/499935517.db2.gz HLWROAGRZUDMSO-UHFFFAOYSA-N 1 3 352.482 3.274 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccco1 ZINC000415979742 499936897 /nfs/dbraw/zinc/93/68/97/499936897.db2.gz XUIOOOVPVQVPAV-YOEHRIQHSA-N 1 3 372.469 3.013 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000415991052 499938399 /nfs/dbraw/zinc/93/83/99/499938399.db2.gz OLNZFJDNTPXABY-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO CN1CC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000416177576 499969870 /nfs/dbraw/zinc/96/98/70/499969870.db2.gz GEHNQAVOBFLFDH-VWPQPMDRSA-N 1 3 351.494 3.241 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000417202173 500003546 /nfs/dbraw/zinc/00/35/46/500003546.db2.gz ZGFLVNHSQOTQAI-UWJYYQICSA-N 1 3 368.525 3.261 20 0 FGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624268 500006134 /nfs/dbraw/zinc/00/61/34/500006134.db2.gz JHTGGKIOHBIURA-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000413624268 500006140 /nfs/dbraw/zinc/00/61/40/500006140.db2.gz JHTGGKIOHBIURA-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000421366089 500028957 /nfs/dbraw/zinc/02/89/57/500028957.db2.gz CMKJNVUOIJNNDO-UHFFFAOYSA-N 1 3 374.554 3.395 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000421366089 500028959 /nfs/dbraw/zinc/02/89/59/500028959.db2.gz CMKJNVUOIJNNDO-UHFFFAOYSA-N 1 3 374.554 3.395 20 0 FGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386252 500056069 /nfs/dbraw/zinc/05/60/69/500056069.db2.gz SRHHGYAHPOMVGV-HKUYNNGSSA-N 1 3 352.563 3.187 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418421 500098991 /nfs/dbraw/zinc/09/89/91/500098991.db2.gz INKZPAWQTIGIAO-LJQANCHMSA-N 1 3 354.498 3.076 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000416848138 500137663 /nfs/dbraw/zinc/13/76/63/500137663.db2.gz WMPPDGGKCZTTBR-HXUWFJFHSA-N 1 3 360.546 3.101 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417677527 500146879 /nfs/dbraw/zinc/14/68/79/500146879.db2.gz FWNLKHMSVIDESD-IEBWSBKVSA-N 1 3 358.530 3.043 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417677528 500147150 /nfs/dbraw/zinc/14/71/50/500147150.db2.gz FWNLKHMSVIDESD-MJGOQNOKSA-N 1 3 358.530 3.043 20 0 FGADHO N[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000416899941 500150828 /nfs/dbraw/zinc/15/08/28/500150828.db2.gz HKIPIJLKUMGZDN-OAQYLSRUSA-N 1 3 366.509 3.172 20 0 FGADHO Clc1cccc(-c2noc(CCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455043 506179213 /nfs/dbraw/zinc/17/92/13/506179213.db2.gz NWGJCATYCXLBHL-NVXWUHKLSA-N 1 3 360.889 3.397 20 0 FGADHO COc1ccc([C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C(C)C)c(F)c1 ZINC000421818397 500158059 /nfs/dbraw/zinc/15/80/59/500158059.db2.gz AQMLJIUTRYRNKE-FQEVSTJZSA-N 1 3 351.510 3.147 20 0 FGADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000421835543 500161806 /nfs/dbraw/zinc/16/18/06/500161806.db2.gz PVMDRZIZCCSMBG-SFHVURJKSA-N 1 3 360.542 3.471 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000416969670 500170382 /nfs/dbraw/zinc/17/03/82/500170382.db2.gz KXAHHIAZXASVOL-FQEVSTJZSA-N 1 3 354.498 3.026 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000416969670 500170387 /nfs/dbraw/zinc/17/03/87/500170387.db2.gz KXAHHIAZXASVOL-FQEVSTJZSA-N 1 3 354.498 3.026 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828970 500180136 /nfs/dbraw/zinc/18/01/36/500180136.db2.gz QVXNVHONTSTBEM-JRGCBEDISA-N 1 3 372.557 3.104 20 0 FGADHO COc1ccc([C@H]2C[C@H](NCc3cc(C4CC[NH2+]CC4)no3)C2)cc1F ZINC000425896954 500208811 /nfs/dbraw/zinc/20/88/11/500208811.db2.gz RNQIADHLINTRTN-WKILWMFISA-N 1 3 359.445 3.325 20 0 FGADHO C[C@H](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000417997872 500211490 /nfs/dbraw/zinc/21/14/90/500211490.db2.gz GMWMLGFKXSBNMT-UTKZUKDTSA-N 1 3 368.525 3.403 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418002368 500212712 /nfs/dbraw/zinc/21/27/12/500212712.db2.gz XONXCYYZNHJNMU-DJPFJPOOSA-N 1 3 372.557 3.201 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418002368 500212713 /nfs/dbraw/zinc/21/27/13/500212713.db2.gz XONXCYYZNHJNMU-DJPFJPOOSA-N 1 3 372.557 3.201 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425933792 500213626 /nfs/dbraw/zinc/21/36/26/500213626.db2.gz WVRSOKUNPSHODN-QWHCGFSZSA-N 1 3 361.408 3.090 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H](C)C[NH+](C)C ZINC000425933792 500213628 /nfs/dbraw/zinc/21/36/28/500213628.db2.gz WVRSOKUNPSHODN-QWHCGFSZSA-N 1 3 361.408 3.090 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N(C)C ZINC000418186463 500244863 /nfs/dbraw/zinc/24/48/63/500244863.db2.gz RYRMMLXCMHUZMO-HUUJSLGLSA-N 1 3 372.557 3.017 20 0 FGADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188966 500245912 /nfs/dbraw/zinc/24/59/12/500245912.db2.gz VBUWOQJKUCQJAX-ZTFGCOKTSA-N 1 3 366.937 3.163 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000418298927 500260066 /nfs/dbraw/zinc/26/00/66/500260066.db2.gz RBAFAVMKPVIZPG-ICSRJNTNSA-N 1 3 372.557 3.343 20 0 FGADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319209 506185804 /nfs/dbraw/zinc/18/58/04/506185804.db2.gz JREHDZFXAJIVEK-QUCCMNQESA-N 1 3 360.546 3.067 20 0 FGADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000430635305 500264520 /nfs/dbraw/zinc/26/45/20/500264520.db2.gz VACPBGMCFLFGSL-RYUDHWBXSA-N 1 3 358.313 3.230 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000418466324 500280071 /nfs/dbraw/zinc/28/00/71/500280071.db2.gz RAJKCPWGPKODET-OAHLLOKOSA-N 1 3 360.527 3.041 20 0 FGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422717396 500289137 /nfs/dbraw/zinc/28/91/37/500289137.db2.gz VPXLPTNGEQWKNT-QUCCMNQESA-N 1 3 361.599 3.286 20 0 FGADHO CN(CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422716653 500289319 /nfs/dbraw/zinc/28/93/19/500289319.db2.gz NPUSQOATNXISPD-DENIHFKCSA-N 1 3 369.484 3.498 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724749 500290234 /nfs/dbraw/zinc/29/02/34/500290234.db2.gz WNTHACZFMLCWBA-HTAPYJJXSA-N 1 3 355.501 3.338 20 0 FGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000422724749 500290235 /nfs/dbraw/zinc/29/02/35/500290235.db2.gz WNTHACZFMLCWBA-HTAPYJJXSA-N 1 3 355.501 3.338 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000422750868 500293764 /nfs/dbraw/zinc/29/37/64/500293764.db2.gz DSHGRRBJKLBWIY-QWHCGFSZSA-N 1 3 356.869 3.451 20 0 FGADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N2CCCC2)cc1 ZINC000422754192 500294635 /nfs/dbraw/zinc/29/46/35/500294635.db2.gz JFUUWQHHLFMRCF-TZYHBYERSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000422754192 500294636 /nfs/dbraw/zinc/29/46/36/500294636.db2.gz JFUUWQHHLFMRCF-TZYHBYERSA-N 1 3 367.537 3.380 20 0 FGADHO COc1ccc(OC)c(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766549 500295180 /nfs/dbraw/zinc/29/51/80/500295180.db2.gz RVJVMDXUWAQJHT-DENIHFKCSA-N 1 3 368.477 3.092 20 0 FGADHO C[C@H](CCCC[NH3+])N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422791003 500297971 /nfs/dbraw/zinc/29/79/71/500297971.db2.gz CVJNLALDTGQCCB-OXQOHEQNSA-N 1 3 360.523 3.287 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)CC1 ZINC000418642453 500300081 /nfs/dbraw/zinc/30/00/81/500300081.db2.gz AKVSUMSQLGXDAK-OAQYLSRUSA-N 1 3 374.573 3.402 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)CC1 ZINC000418642453 500300082 /nfs/dbraw/zinc/30/00/82/500300082.db2.gz AKVSUMSQLGXDAK-OAQYLSRUSA-N 1 3 374.573 3.402 20 0 FGADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000422809220 500300347 /nfs/dbraw/zinc/30/03/47/500300347.db2.gz RKBFLRSUIUNQIZ-NSHGMRRFSA-N 1 3 357.523 3.196 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418669299 500304560 /nfs/dbraw/zinc/30/45/60/500304560.db2.gz HYUWILFBGYZNBB-SIKLNZKXSA-N 1 3 372.557 3.202 20 0 FGADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1cccc(C(F)(F)F)c1 ZINC000422841080 500305045 /nfs/dbraw/zinc/30/50/45/500305045.db2.gz VDNHBYDQZFHJCD-QIJZBDPFSA-N 1 3 360.420 3.205 20 0 FGADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422853914 500306050 /nfs/dbraw/zinc/30/60/50/500306050.db2.gz ZLJAAJVEMZXKAV-IPMKNSEASA-N 1 3 351.604 3.248 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000430918547 500306370 /nfs/dbraw/zinc/30/63/70/500306370.db2.gz HTWNFEDQQWBXAO-SJORKVTESA-N 1 3 357.542 3.063 20 0 FGADHO CCOC(=O)C1([C@H](C)NCc2ccc(C)cc2OCC2CC2)CC[NH2+]CC1 ZINC000422867499 500307305 /nfs/dbraw/zinc/30/73/05/500307305.db2.gz SNRFDEAHOMOGHB-KRWDZBQOSA-N 1 3 374.525 3.195 20 0 FGADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430925719 500307843 /nfs/dbraw/zinc/30/78/43/500307843.db2.gz MDCQKUMCARQUSF-IAGOWNOFSA-N 1 3 353.510 3.337 20 0 FGADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430925720 500307938 /nfs/dbraw/zinc/30/79/38/500307938.db2.gz MDCQKUMCARQUSF-IRXDYDNUSA-N 1 3 353.510 3.337 20 0 FGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875703 500308856 /nfs/dbraw/zinc/30/88/56/500308856.db2.gz CWTIKAVQRXCPJR-ZIAGYGMSSA-N 1 3 355.320 3.213 20 0 FGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422875703 500308857 /nfs/dbraw/zinc/30/88/57/500308857.db2.gz CWTIKAVQRXCPJR-ZIAGYGMSSA-N 1 3 355.320 3.213 20 0 FGADHO CCN1CCN(Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422890195 500311614 /nfs/dbraw/zinc/31/16/14/500311614.db2.gz HWPRIONNFJTZJG-DHIUTWEWSA-N 1 3 364.537 3.059 20 0 FGADHO CN(C)CCOc1cccc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422913002 500315721 /nfs/dbraw/zinc/31/57/21/500315721.db2.gz OUARJIPISMJGQQ-IRLDBZIGSA-N 1 3 367.493 3.295 20 0 FGADHO N[C@H]1CCCCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922856 500317818 /nfs/dbraw/zinc/31/78/18/500317818.db2.gz QYJNDMHLJPNNBR-QWHCGFSZSA-N 1 3 351.800 3.382 20 0 FGADHO Clc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422937747 500319866 /nfs/dbraw/zinc/31/98/66/500319866.db2.gz OOIDXBYUHZZLFV-GBESFXJTSA-N 1 3 352.906 3.246 20 0 FGADHO Brc1cccc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422962580 500324567 /nfs/dbraw/zinc/32/45/67/500324567.db2.gz GFBLPGGRUZZMON-ZACQAIPSSA-N 1 3 352.320 3.371 20 0 FGADHO C[C@@H](CCC[NH3+])NCc1ccc(Cl)cc1I ZINC000423079476 500339242 /nfs/dbraw/zinc/33/92/42/500339242.db2.gz AERJRPWYRRLRQC-VIFPVBQESA-N 1 3 352.647 3.162 20 0 FGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423079703 500340026 /nfs/dbraw/zinc/34/00/26/500340026.db2.gz YQQRDVNUNIJEOH-STEAMIEHSA-N 1 3 370.459 3.155 20 0 FGADHO CN1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102634 500342460 /nfs/dbraw/zinc/34/24/60/500342460.db2.gz KIRVIGRLWOKJEV-BHIFYINESA-N 1 3 357.542 3.170 20 0 FGADHO Fc1ccccc1N1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423132247 500346800 /nfs/dbraw/zinc/34/68/00/500346800.db2.gz PCCHXUPOTUHPMR-BPXKWBHBSA-N 1 3 367.468 3.250 20 0 FGADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136767 500347035 /nfs/dbraw/zinc/34/70/35/500347035.db2.gz ZHOOESGEJQZFIN-GPJHCHHRSA-N 1 3 373.585 3.235 20 0 FGADHO OC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000423134599 500347119 /nfs/dbraw/zinc/34/71/19/500347119.db2.gz XBQRPUJJKUWUSX-DLVCFXQMSA-N 1 3 372.896 3.261 20 0 FGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134438 500347125 /nfs/dbraw/zinc/34/71/25/500347125.db2.gz RWMUMSADFGOJFV-VBQJREDUSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccccc2Br)CCC1 ZINC000423134438 500347128 /nfs/dbraw/zinc/34/71/28/500347128.db2.gz RWMUMSADFGOJFV-VBQJREDUSA-N 1 3 367.331 3.213 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCNCC[C@H]2C)cc1OC ZINC000423147042 500348288 /nfs/dbraw/zinc/34/82/88/500348288.db2.gz BVKHQJYEQRTXEN-WBVHZDCISA-N 1 3 350.503 3.013 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423147042 500348291 /nfs/dbraw/zinc/34/82/91/500348291.db2.gz BVKHQJYEQRTXEN-WBVHZDCISA-N 1 3 350.503 3.013 20 0 FGADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC ZINC000423147040 500348553 /nfs/dbraw/zinc/34/85/53/500348553.db2.gz BVKHQJYEQRTXEN-NVXWUHKLSA-N 1 3 350.503 3.013 20 0 FGADHO CCCOc1c(OC)cc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423147040 500348555 /nfs/dbraw/zinc/34/85/55/500348555.db2.gz BVKHQJYEQRTXEN-NVXWUHKLSA-N 1 3 350.503 3.013 20 0 FGADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423154050 500349256 /nfs/dbraw/zinc/34/92/56/500349256.db2.gz IOVKQKSMGULPKS-BXUZGUMPSA-N 1 3 370.415 3.002 20 0 FGADHO Fc1cccc(F)c1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423174895 500351322 /nfs/dbraw/zinc/35/13/22/500351322.db2.gz CYPVFIYHEVEHBY-BMGDILEWSA-N 1 3 350.453 3.133 20 0 FGADHO Fc1cccc([C@H](NCCCN2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000423194391 500353883 /nfs/dbraw/zinc/35/38/83/500353883.db2.gz XYXWWKAOUCXALP-HXUWFJFHSA-N 1 3 361.892 3.453 20 0 FGADHO Clc1cc(Br)ccc1[C@H](NCCN1CC[NH2+]CC1)C1CC1 ZINC000423209774 500355628 /nfs/dbraw/zinc/35/56/28/500355628.db2.gz VOOBZXORYPKPRX-MRXNPFEDSA-N 1 3 372.738 3.048 20 0 FGADHO CCc1ccc([C@H](CN2CCOCC2)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292338 500362061 /nfs/dbraw/zinc/36/20/61/500362061.db2.gz MPLSISIUIJNRHM-JPYJTQIMSA-N 1 3 367.537 3.432 20 0 FGADHO CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301040 500362549 /nfs/dbraw/zinc/36/25/49/500362549.db2.gz FEKPSDJUTNSKOS-VQTJNVASSA-N 1 3 351.494 3.103 20 0 FGADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000423324570 500364651 /nfs/dbraw/zinc/36/46/51/500364651.db2.gz HYULZHAYLWGTOJ-PNJWGLBASA-N 1 3 365.521 3.224 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423338503 500365419 /nfs/dbraw/zinc/36/54/19/500365419.db2.gz RVBRBTBYFMZYPG-KRWDZBQOSA-N 1 3 351.494 3.409 20 0 FGADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000423353588 500367038 /nfs/dbraw/zinc/36/70/38/500367038.db2.gz LYMWEZDDMUJSGB-UTKZUKDTSA-N 1 3 351.494 3.491 20 0 FGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423356629 500367096 /nfs/dbraw/zinc/36/70/96/500367096.db2.gz QZFFFEIYVOKNSQ-JTQLQIEISA-N 1 3 360.214 3.001 20 0 FGADHO CCSc1ccccc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423399440 500370084 /nfs/dbraw/zinc/37/00/84/500370084.db2.gz WDUNNXBMFNSAFM-CZUORRHYSA-N 1 3 361.477 3.285 20 0 FGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC000423394849 500370631 /nfs/dbraw/zinc/37/06/31/500370631.db2.gz SEOLIHNTZULZFY-WBMJQRKESA-N 1 3 357.445 3.388 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000423404991 500371083 /nfs/dbraw/zinc/37/10/83/500371083.db2.gz YOWWNYQBOZVJFZ-HOJAQTOUSA-N 1 3 357.542 3.276 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278974 500376943 /nfs/dbraw/zinc/37/69/43/500376943.db2.gz DXBSADIFFBCROI-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427275565 500376964 /nfs/dbraw/zinc/37/69/64/500376964.db2.gz PQCAYPKHOXGZIW-SBHAEUEKSA-N 1 3 357.542 3.278 20 0 FGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423531567 500382942 /nfs/dbraw/zinc/38/29/42/500382942.db2.gz SURHVGQOMYMPQR-HMSUTVNQSA-N 1 3 371.525 3.156 20 0 FGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)cc1 ZINC000423531568 500382953 /nfs/dbraw/zinc/38/29/53/500382953.db2.gz SURHVGQOMYMPQR-XPSJVXEXSA-N 1 3 371.525 3.156 20 0 FGADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000423777840 500400844 /nfs/dbraw/zinc/40/08/44/500400844.db2.gz SJKBNBYPWCOZAT-JVPBZIDWSA-N 1 3 359.901 3.395 20 0 FGADHO COc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC000431652415 500403406 /nfs/dbraw/zinc/40/34/06/500403406.db2.gz CEKFGNQLPGPEER-FPOVZHCZSA-N 1 3 373.541 3.213 20 0 FGADHO COc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC000431652415 500403407 /nfs/dbraw/zinc/40/34/07/500403407.db2.gz CEKFGNQLPGPEER-FPOVZHCZSA-N 1 3 373.541 3.213 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC000431770858 500422232 /nfs/dbraw/zinc/42/22/32/500422232.db2.gz GXFJXWLWIBTQID-LEWJYISDSA-N 1 3 353.510 3.407 20 0 FGADHO Cc1ccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC000431770860 500422450 /nfs/dbraw/zinc/42/24/50/500422450.db2.gz GXFJXWLWIBTQID-RTWAWAEBSA-N 1 3 353.510 3.407 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000431845274 500433381 /nfs/dbraw/zinc/43/33/81/500433381.db2.gz NSWJGPIARHQCKU-SESVDKBCSA-N 1 3 355.526 3.155 20 0 FGADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845274 500433382 /nfs/dbraw/zinc/43/33/82/500433382.db2.gz NSWJGPIARHQCKU-SESVDKBCSA-N 1 3 355.526 3.155 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304897 500437497 /nfs/dbraw/zinc/43/74/97/500437497.db2.gz OWGNHHORDXPJGN-HXUWFJFHSA-N 1 3 353.510 3.470 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000420304897 500437498 /nfs/dbraw/zinc/43/74/98/500437498.db2.gz OWGNHHORDXPJGN-HXUWFJFHSA-N 1 3 353.510 3.470 20 0 FGADHO CSc1ccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377473 500450866 /nfs/dbraw/zinc/45/08/66/500450866.db2.gz LCDMIRJCFYMSEI-OALUTQOASA-N 1 3 350.528 3.006 20 0 FGADHO NCc1cn([C@@H]2CCC[N@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388114 500453248 /nfs/dbraw/zinc/45/32/48/500453248.db2.gz WQJZCZQONIMRPT-OAHLLOKOSA-N 1 3 365.934 3.210 20 0 FGADHO NCc1cn([C@@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388114 500453250 /nfs/dbraw/zinc/45/32/50/500453250.db2.gz WQJZCZQONIMRPT-OAHLLOKOSA-N 1 3 365.934 3.210 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000428146796 500474179 /nfs/dbraw/zinc/47/41/79/500474179.db2.gz CGUMJBVFKIEICB-OAQYLSRUSA-N 1 3 372.557 3.243 20 0 FGADHO CCN(Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248047 500474833 /nfs/dbraw/zinc/47/48/33/500474833.db2.gz WYOURSWSKLSYBJ-KRWDZBQOSA-N 1 3 355.526 3.275 20 0 FGADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283689 500480814 /nfs/dbraw/zinc/48/08/14/500480814.db2.gz BNJVBNQEVNUEHU-IEBWSBKVSA-N 1 3 373.541 3.117 20 0 FGADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283692 500480859 /nfs/dbraw/zinc/48/08/59/500480859.db2.gz BNJVBNQEVNUEHU-PKOBYXMFSA-N 1 3 373.541 3.117 20 0 FGADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283690 500481017 /nfs/dbraw/zinc/48/10/17/500481017.db2.gz BNJVBNQEVNUEHU-MJGOQNOKSA-N 1 3 373.541 3.117 20 0 FGADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284228 500481104 /nfs/dbraw/zinc/48/11/04/500481104.db2.gz DCWQSOAKKUMYRV-RBUKOAKNSA-N 1 3 369.553 3.278 20 0 FGADHO CC(C)[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285738 500481229 /nfs/dbraw/zinc/48/12/29/500481229.db2.gz GIFMMWCIRHHNJC-OXJNMPFZSA-N 1 3 361.505 3.103 20 0 FGADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283686 500481284 /nfs/dbraw/zinc/48/12/84/500481284.db2.gz BNJVBNQEVNUEHU-HKUYNNGSSA-N 1 3 373.541 3.117 20 0 FGADHO C[C@@H]1CC2(CN1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289549 500481756 /nfs/dbraw/zinc/48/17/56/500481756.db2.gz LXGSQOWSGDBSOH-XMSQKQJNSA-N 1 3 369.553 3.498 20 0 FGADHO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428235388 500484771 /nfs/dbraw/zinc/48/47/71/500484771.db2.gz CNIUTZCTRAUMIF-YPAWHYETSA-N 1 3 369.553 3.279 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424419630 500500758 /nfs/dbraw/zinc/50/07/58/500500758.db2.gz SFOPGMJWPSMSSN-PZJWPPBQSA-N 1 3 364.493 3.144 20 0 FGADHO COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424418492 500500767 /nfs/dbraw/zinc/50/07/67/500500767.db2.gz BJPOYIAKDNELNN-UHFFFAOYSA-N 1 3 370.497 3.058 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417943 500514208 /nfs/dbraw/zinc/51/42/08/500514208.db2.gz PILWFOUPBKQGQS-JKSUJKDBSA-N 1 3 359.514 3.068 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417943 500514210 /nfs/dbraw/zinc/51/42/10/500514210.db2.gz PILWFOUPBKQGQS-JKSUJKDBSA-N 1 3 359.514 3.068 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000420982472 500547888 /nfs/dbraw/zinc/54/78/88/500547888.db2.gz OUGWSQVWNQNSMV-UHFFFAOYSA-N 1 3 370.516 3.366 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000432781774 500562802 /nfs/dbraw/zinc/56/28/02/500562802.db2.gz PTMPCTVGGPFARD-MOPGFXCFSA-N 1 3 371.569 3.444 20 0 FGADHO CN(CCc1cc(Cl)cc(Cl)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000447310433 500590065 /nfs/dbraw/zinc/59/00/65/500590065.db2.gz XRCJJYYPVSEJQK-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO CN(CCc1cc(Cl)cc(Cl)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000447310433 500590066 /nfs/dbraw/zinc/59/00/66/500590066.db2.gz XRCJJYYPVSEJQK-UHFFFAOYSA-N 1 3 358.357 3.494 20 0 FGADHO C[NH+](C)CCOCCN[C@H]1CCc2c1cc(Cl)cc2Br ZINC000447592097 500630713 /nfs/dbraw/zinc/63/07/13/500630713.db2.gz GTDVXHMYHXWGIF-HNNXBMFYSA-N 1 3 361.711 3.258 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597678 500631258 /nfs/dbraw/zinc/63/12/58/500631258.db2.gz TUQXBJWHEPMPBW-KVAWTYEWSA-N 1 3 370.537 3.498 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597678 500631260 /nfs/dbraw/zinc/63/12/60/500631260.db2.gz TUQXBJWHEPMPBW-KVAWTYEWSA-N 1 3 370.537 3.498 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000442874880 500637738 /nfs/dbraw/zinc/63/77/38/500637738.db2.gz MVRZVKIENYWOAG-SFHVURJKSA-N 1 3 365.949 3.478 20 0 FGADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933052 500649015 /nfs/dbraw/zinc/64/90/15/500649015.db2.gz ZLVIAUATZOFEIH-YJBOKZPZSA-N 1 3 352.906 3.459 20 0 FGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443079033 500675856 /nfs/dbraw/zinc/67/58/56/500675856.db2.gz YCLHSBHJSBCIIT-CYBMUJFWSA-N 1 3 358.313 3.013 20 0 FGADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079433 500676324 /nfs/dbraw/zinc/67/63/24/500676324.db2.gz ZMWRCDKEIHYBCM-OLZOCXBDSA-N 1 3 358.313 3.231 20 0 FGADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000437864115 500708892 /nfs/dbraw/zinc/70/88/92/500708892.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 1 3 362.562 3.100 20 0 FGADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000437864115 500708894 /nfs/dbraw/zinc/70/88/94/500708894.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 1 3 362.562 3.100 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210752 /nfs/dbraw/zinc/21/07/52/506210752.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210753 /nfs/dbraw/zinc/21/07/53/506210753.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 1 3 372.557 3.071 20 0 FGADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000438209619 500754843 /nfs/dbraw/zinc/75/48/43/500754843.db2.gz DAGHXSJHSNYSAG-DLBZAZTESA-N 1 3 370.463 3.304 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829990 500824807 /nfs/dbraw/zinc/82/48/07/500824807.db2.gz SWJBPNSIPRXERV-LLMJNHHCSA-N 1 3 360.542 3.053 20 0 FGADHO CCO[C@@H]1C[C@](CO)(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829990 500824809 /nfs/dbraw/zinc/82/48/09/500824809.db2.gz SWJBPNSIPRXERV-LLMJNHHCSA-N 1 3 360.542 3.053 20 0 FGADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691001 500880106 /nfs/dbraw/zinc/88/01/06/500880106.db2.gz MIPMIQSJTYHMGP-YEWWUXTCSA-N 1 3 371.447 3.332 20 0 FGADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000439348014 500888082 /nfs/dbraw/zinc/88/80/82/500888082.db2.gz XOFXNXOOTYWGSS-UHFFFAOYSA-N 1 3 362.518 3.013 20 0 FGADHO C[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037455 500907111 /nfs/dbraw/zinc/90/71/11/500907111.db2.gz NHONXSUFWXJKFH-QINHECLXSA-N 1 3 351.485 3.026 20 0 FGADHO C[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037455 500907114 /nfs/dbraw/zinc/90/71/14/500907114.db2.gz NHONXSUFWXJKFH-QINHECLXSA-N 1 3 351.485 3.026 20 0 FGADHO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037126 500907339 /nfs/dbraw/zinc/90/73/39/500907339.db2.gz MJRBWXMGNKYERY-PGRDOPGGSA-N 1 3 367.537 3.306 20 0 FGADHO COc1nccc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000449124464 500930891 /nfs/dbraw/zinc/93/08/91/500930891.db2.gz PCRBSHGYXYBTPW-UHFFFAOYSA-N 1 3 368.525 3.310 20 0 FGADHO C[NH2+]CCC1CCN(Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000435369773 500960523 /nfs/dbraw/zinc/96/05/23/500960523.db2.gz GORZRMNSHRMRCK-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439965192 500960551 /nfs/dbraw/zinc/96/05/51/500960551.db2.gz ZUDYZLIZKOXDSW-NHCUHLMSSA-N 1 3 355.526 3.174 20 0 FGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439965192 500960556 /nfs/dbraw/zinc/96/05/56/500960556.db2.gz ZUDYZLIZKOXDSW-NHCUHLMSSA-N 1 3 355.526 3.174 20 0 FGADHO C[NH2+]CCC1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000435377858 500963121 /nfs/dbraw/zinc/96/31/21/500963121.db2.gz FWWMKVBIPWQWAB-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO COc1cccc2c(CN(C)CC[N@H+](C)C3CCN(C)CC3)cccc12 ZINC000449324206 500977494 /nfs/dbraw/zinc/97/74/94/500977494.db2.gz DEXXBYKOUXDPQM-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO COc1cccc2c(CN(C)CC[N@@H+](C)C3CCN(C)CC3)cccc12 ZINC000449324206 500977496 /nfs/dbraw/zinc/97/74/96/500977496.db2.gz DEXXBYKOUXDPQM-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000449343931 500982618 /nfs/dbraw/zinc/98/26/18/500982618.db2.gz OFTDTODFEITDIE-YZGWKJHDSA-N 1 3 360.567 3.256 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345411 500983150 /nfs/dbraw/zinc/98/31/50/500983150.db2.gz VMGATZLOZHPFKK-UKAVVXHISA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345411 500983152 /nfs/dbraw/zinc/98/31/52/500983152.db2.gz VMGATZLOZHPFKK-UKAVVXHISA-N 1 3 358.526 3.071 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345411 500983155 /nfs/dbraw/zinc/98/31/55/500983155.db2.gz VMGATZLOZHPFKK-UKAVVXHISA-N 1 3 358.526 3.071 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1cccc(F)c1 ZINC000449358702 500986495 /nfs/dbraw/zinc/98/64/95/500986495.db2.gz FZFMBHLJEGMANJ-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1cccc(F)c1 ZINC000449358702 500986497 /nfs/dbraw/zinc/98/64/97/500986497.db2.gz FZFMBHLJEGMANJ-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1cccc(F)c1 ZINC000449358702 500986500 /nfs/dbraw/zinc/98/65/00/500986500.db2.gz FZFMBHLJEGMANJ-CWKRKGSWSA-N 1 3 368.496 3.229 20 0 FGADHO CCN(CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623131 501003973 /nfs/dbraw/zinc/00/39/73/501003973.db2.gz GGDMBJFVARZFNV-HNNXBMFYSA-N 1 3 353.894 3.141 20 0 FGADHO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCCNCC1 ZINC000435623131 501003975 /nfs/dbraw/zinc/00/39/75/501003975.db2.gz GGDMBJFVARZFNV-HNNXBMFYSA-N 1 3 353.894 3.141 20 0 FGADHO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCCNCC1 ZINC000435623131 501003976 /nfs/dbraw/zinc/00/39/76/501003976.db2.gz GGDMBJFVARZFNV-HNNXBMFYSA-N 1 3 353.894 3.141 20 0 FGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449503962 501019214 /nfs/dbraw/zinc/01/92/14/501019214.db2.gz IOSCKZJGCLXOJQ-GMAHTHKFSA-N 1 3 371.569 3.105 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000611625888 506232581 /nfs/dbraw/zinc/23/25/81/506232581.db2.gz QLGYHOYCDLRRMB-UHFFFAOYSA-N 1 3 374.573 3.331 20 0 FGADHO Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352983 501125604 /nfs/dbraw/zinc/12/56/04/501125604.db2.gz LGZDPFCDMRXLBI-FGZHOGPDSA-N 1 3 369.553 3.306 20 0 FGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000446743284 501160101 /nfs/dbraw/zinc/16/01/01/501160101.db2.gz DOWHTQPNHQGORJ-FPOVZHCZSA-N 1 3 355.530 3.430 20 0 FGADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000446756140 501161851 /nfs/dbraw/zinc/16/18/51/501161851.db2.gz DERHTBOQUAJYRE-OAQYLSRUSA-N 1 3 371.529 3.130 20 0 FGADHO CC(C)[C@H](COCc1ccccc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446837297 501171160 /nfs/dbraw/zinc/17/11/60/501171160.db2.gz WPIHAZSPAVSYBD-IRLDBZIGSA-N 1 3 360.542 3.318 20 0 FGADHO C(CN1CCC[C@@]2(CCC[N@H+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241663 /nfs/dbraw/zinc/24/16/63/501241663.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C(CN1CCC[C@@]2(CCC[N@@H+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241664 /nfs/dbraw/zinc/24/16/64/501241664.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C(C[N@H+]1CCC[C@@]2(CCCN(CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241665 /nfs/dbraw/zinc/24/16/65/501241665.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO C(C[N@@H+]1CCC[C@@]2(CCCN(CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241666 /nfs/dbraw/zinc/24/16/66/501241666.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 1 3 350.547 3.018 20 0 FGADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccncc1 ZINC000453067938 501262321 /nfs/dbraw/zinc/26/23/21/501262321.db2.gz SGSHUFAZBCPQHV-QFIPXVFZSA-N 1 3 352.526 3.460 20 0 FGADHO CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000453182507 501287081 /nfs/dbraw/zinc/28/70/81/501287081.db2.gz MNTUSLOKUKCUHV-MOPGFXCFSA-N 1 3 359.539 3.078 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000451464232 501298187 /nfs/dbraw/zinc/29/81/87/501298187.db2.gz YMIDOLTUOPHBRP-NRFANRHFSA-N 1 3 369.553 3.388 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287830 501308804 /nfs/dbraw/zinc/30/88/04/501308804.db2.gz OPVYVFPJKFRCQT-GDBMZVCRSA-N 1 3 359.436 3.327 20 0 FGADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451654338 501345324 /nfs/dbraw/zinc/34/53/24/501345324.db2.gz VAGVQKMKVGOWLN-NHCUHLMSSA-N 1 3 353.595 3.462 20 0 FGADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451654338 501345328 /nfs/dbraw/zinc/34/53/28/501345328.db2.gz VAGVQKMKVGOWLN-NHCUHLMSSA-N 1 3 353.595 3.462 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000455610420 501346576 /nfs/dbraw/zinc/34/65/76/501346576.db2.gz KZNSYTOLWNANOV-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000455610420 501346578 /nfs/dbraw/zinc/34/65/78/501346578.db2.gz KZNSYTOLWNANOV-OAQYLSRUSA-N 1 3 372.557 3.306 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000611671554 506251683 /nfs/dbraw/zinc/25/16/83/506251683.db2.gz XIRPXHONDKWJSA-LEWJYISDSA-N 1 3 372.557 3.122 20 0 FGADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000458578220 501479133 /nfs/dbraw/zinc/47/91/33/501479133.db2.gz QOFBQNVVICSSSY-SOAGJPPSSA-N 1 3 364.578 3.154 20 0 FGADHO CN(C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456287218 501488981 /nfs/dbraw/zinc/48/89/81/501488981.db2.gz VVHVDKFQPUEMHS-FQEVSTJZSA-N 1 3 367.493 3.428 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367184 501524448 /nfs/dbraw/zinc/52/44/48/501524448.db2.gz NSAWSBYMKDYSNU-PXNSSMCTSA-N 1 3 370.541 3.138 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367180 501524635 /nfs/dbraw/zinc/52/46/35/501524635.db2.gz NSAWSBYMKDYSNU-FXAWDEMLSA-N 1 3 370.541 3.138 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N(C)C ZINC000458783439 501530693 /nfs/dbraw/zinc/53/06/93/501530693.db2.gz VDQUKLKJGNTXQL-VCOUNFBDSA-N 1 3 372.557 3.114 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N(C)C ZINC000458783439 501530695 /nfs/dbraw/zinc/53/06/95/501530695.db2.gz VDQUKLKJGNTXQL-VCOUNFBDSA-N 1 3 372.557 3.114 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981244 501570548 /nfs/dbraw/zinc/57/05/48/501570548.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000458981244 501570549 /nfs/dbraw/zinc/57/05/49/501570549.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000454619037 501594001 /nfs/dbraw/zinc/59/40/01/501594001.db2.gz ZXCOHTMTCXUKPV-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000454619037 501594003 /nfs/dbraw/zinc/59/40/03/501594003.db2.gz ZXCOHTMTCXUKPV-KRWDZBQOSA-N 1 3 364.578 3.013 20 0 FGADHO CN(Cc1ccccc1)C1(CNC(=O)NCCC2CC[NH+](C)CC2)CCC1 ZINC000454632948 501597266 /nfs/dbraw/zinc/59/72/66/501597266.db2.gz AUJPVELKFLRIPA-UHFFFAOYSA-N 1 3 372.557 3.072 20 0 FGADHO CC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000459380971 501642841 /nfs/dbraw/zinc/64/28/41/501642841.db2.gz CKAKZZYXNIYYNP-QFIPXVFZSA-N 1 3 364.537 3.477 20 0 FGADHO Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459425200 501651792 /nfs/dbraw/zinc/65/17/92/501651792.db2.gz BBBLASVYUDAWIZ-MRXNPFEDSA-N 1 3 358.436 3.197 20 0 FGADHO OCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC(c2ccccc2)C1 ZINC000459506032 501666112 /nfs/dbraw/zinc/66/61/12/501666112.db2.gz PCUGZSAPMPLHHD-UHFFFAOYSA-N 1 3 351.494 3.196 20 0 FGADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000598993899 506266605 /nfs/dbraw/zinc/26/66/05/506266605.db2.gz DQKZMGLXMPIMFX-CQSZACIVSA-N 1 3 360.454 3.050 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678640 501697841 /nfs/dbraw/zinc/69/78/41/501697841.db2.gz RWQOOYXNWMQSDB-RTWAWAEBSA-N 1 3 357.542 3.244 20 0 FGADHO CN(c1ccccc1CN1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693713 501699834 /nfs/dbraw/zinc/69/98/34/501699834.db2.gz ZUHNKSJIECJOFB-IRLDBZIGSA-N 1 3 369.553 3.218 20 0 FGADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457500243 501711717 /nfs/dbraw/zinc/71/17/17/501711717.db2.gz XHJXBWHNIDUNOL-IRXDYDNUSA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457500243 501711718 /nfs/dbraw/zinc/71/17/18/501711718.db2.gz XHJXBWHNIDUNOL-IRXDYDNUSA-N 1 3 364.559 3.009 20 0 FGADHO CC(C)c1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000457514526 501714613 /nfs/dbraw/zinc/71/46/13/501714613.db2.gz OFZHOFQTJSRPDC-UHFFFAOYSA-N 1 3 357.542 3.027 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCC[C@@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC000459800679 501715648 /nfs/dbraw/zinc/71/56/48/501715648.db2.gz ZXODGXLDRKZLIM-IBGZPJMESA-N 1 3 370.541 3.378 20 0 FGADHO COc1ccc(Cn2nc(C)c(CNCC[C@@H]3CCC[N@@H+](C)C3)c2C)cc1 ZINC000459800679 501715649 /nfs/dbraw/zinc/71/56/49/501715649.db2.gz ZXODGXLDRKZLIM-IBGZPJMESA-N 1 3 370.541 3.378 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457538931 501718645 /nfs/dbraw/zinc/71/86/45/501718645.db2.gz XZYUEBWGOFMXJH-HXUWFJFHSA-N 1 3 360.546 3.153 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173303 501729799 /nfs/dbraw/zinc/72/97/99/501729799.db2.gz GAQPSSNATFZPNY-GUSVMJMASA-N 1 3 370.541 3.138 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761904 /nfs/dbraw/zinc/76/19/04/501761904.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761909 /nfs/dbraw/zinc/76/19/09/501761909.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 1 3 361.505 3.027 20 0 FGADHO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000467384279 501783108 /nfs/dbraw/zinc/78/31/08/501783108.db2.gz WMMPVMWJZJFWGV-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000467384279 501783111 /nfs/dbraw/zinc/78/31/11/501783111.db2.gz WMMPVMWJZJFWGV-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO Cc1ccccc1C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000467384279 501783114 /nfs/dbraw/zinc/78/31/14/501783114.db2.gz WMMPVMWJZJFWGV-JLLPCOHGSA-N 1 3 364.533 3.399 20 0 FGADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757935 501792734 /nfs/dbraw/zinc/79/27/34/501792734.db2.gz VYTCZLSGHHEZMY-PKTZIBPZSA-N 1 3 370.537 3.176 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000460359934 501803294 /nfs/dbraw/zinc/80/32/94/501803294.db2.gz PKGNKWGRZQTJEO-BEARUUAKSA-N 1 3 371.569 3.428 20 0 FGADHO CC[C@H](CN(CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733833 501867669 /nfs/dbraw/zinc/86/76/69/501867669.db2.gz JNXPLWZNEWXIBZ-GOSISDBHSA-N 1 3 357.542 3.245 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000478412568 501973954 /nfs/dbraw/zinc/97/39/54/501973954.db2.gz DHSNPPKJQDKBGP-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1cc(N)ccc1F ZINC000482152684 501991085 /nfs/dbraw/zinc/99/10/85/501991085.db2.gz ACTQMKZUAQOGOO-CRAIPNDOSA-N 1 3 364.509 3.227 20 0 FGADHO CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475018680 502022859 /nfs/dbraw/zinc/02/28/59/502022859.db2.gz RZBNMILXEVHMIG-LJQANCHMSA-N 1 3 372.557 3.212 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475137124 502075517 /nfs/dbraw/zinc/07/55/17/502075517.db2.gz JTANWJWATUOMAC-OAQYLSRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000475291234 502121470 /nfs/dbraw/zinc/12/14/70/502121470.db2.gz NLAUDUMKUGOFLB-NRFANRHFSA-N 1 3 374.573 3.411 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871587 502131607 /nfs/dbraw/zinc/13/16/07/502131607.db2.gz HOWKIUUXGYFRCP-HZPDHXFCSA-N 1 3 365.949 3.364 20 0 FGADHO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486557885 502190378 /nfs/dbraw/zinc/19/03/78/502190378.db2.gz AAUVKPMNHLEJIA-SZUKKWSHSA-N 1 3 356.535 3.424 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H](CN)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000479207208 502192903 /nfs/dbraw/zinc/19/29/03/502192903.db2.gz IQYPZPDEMRRHKF-HBGVWJBISA-N 1 3 369.484 3.037 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@@H](CN)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207208 502192905 /nfs/dbraw/zinc/19/29/05/502192905.db2.gz IQYPZPDEMRRHKF-HBGVWJBISA-N 1 3 369.484 3.037 20 0 FGADHO C[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000472143877 502246737 /nfs/dbraw/zinc/24/67/37/502246737.db2.gz IZZOOBUJCKMWKY-MSOLQXFVSA-N 1 3 371.525 3.163 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCN1C ZINC000479537707 502289352 /nfs/dbraw/zinc/28/93/52/502289352.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 1 3 364.578 3.155 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCN1C ZINC000479537707 502289357 /nfs/dbraw/zinc/28/93/57/502289357.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 1 3 364.578 3.155 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CCCCC1 ZINC000465542214 502299412 /nfs/dbraw/zinc/29/94/12/502299412.db2.gz LDXRVKNGWYTEOE-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CCCCC1 ZINC000465542214 502299417 /nfs/dbraw/zinc/29/94/17/502299417.db2.gz LDXRVKNGWYTEOE-IBGZPJMESA-N 1 3 352.567 3.014 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000486967067 502319375 /nfs/dbraw/zinc/31/93/75/502319375.db2.gz MLNWCRSAOPULHE-ONEGZZNKSA-N 1 3 350.510 3.022 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006376 502329667 /nfs/dbraw/zinc/32/96/67/502329667.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006376 502329668 /nfs/dbraw/zinc/32/96/68/502329668.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 1 3 372.557 3.071 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000475933136 502337202 /nfs/dbraw/zinc/33/72/02/502337202.db2.gz ZALGWARUWVITAB-MRXNPFEDSA-N 1 3 363.571 3.383 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1)N(C)C ZINC000479790068 502378631 /nfs/dbraw/zinc/37/86/31/502378631.db2.gz QRZMWPFVTFSSQM-HBFSDRIKSA-N 1 3 360.546 3.160 20 0 FGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433405 502390909 /nfs/dbraw/zinc/39/09/09/502390909.db2.gz MSEZSIREMDLNAF-KYJSFNMBSA-N 1 3 366.347 3.348 20 0 FGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433405 502390913 /nfs/dbraw/zinc/39/09/13/502390913.db2.gz MSEZSIREMDLNAF-KYJSFNMBSA-N 1 3 366.347 3.348 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)c2)CC1 ZINC000465929282 502430821 /nfs/dbraw/zinc/43/08/21/502430821.db2.gz DUZMLTSHIIKTIV-GHTZIAJQSA-N 1 3 372.557 3.200 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617978 502444236 /nfs/dbraw/zinc/44/42/36/502444236.db2.gz SMMULFBDLJROEI-LNLFQRSKSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617978 502444242 /nfs/dbraw/zinc/44/42/42/502444242.db2.gz SMMULFBDLJROEI-LNLFQRSKSA-N 1 3 352.494 3.320 20 0 FGADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000483698688 502467978 /nfs/dbraw/zinc/46/79/78/502467978.db2.gz PAABYPPERWTEFO-NRFANRHFSA-N 1 3 357.542 3.202 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466084919 502474580 /nfs/dbraw/zinc/47/45/80/502474580.db2.gz LNACSDLPCDFPOY-AABGKKOBSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466084919 502474584 /nfs/dbraw/zinc/47/45/84/502474584.db2.gz LNACSDLPCDFPOY-AABGKKOBSA-N 1 3 364.578 3.013 20 0 FGADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475853 /nfs/dbraw/zinc/47/58/53/502475853.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 1 3 374.573 3.410 20 0 FGADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475857 /nfs/dbraw/zinc/47/58/57/502475857.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 1 3 374.573 3.410 20 0 FGADHO CCC[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000466100865 502478796 /nfs/dbraw/zinc/47/87/96/502478796.db2.gz NBPJYRHDEPQUEN-UHFFFAOYSA-N 1 3 374.573 3.067 20 0 FGADHO C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000487857354 502548131 /nfs/dbraw/zinc/54/81/31/502548131.db2.gz JTNNAVYBKJSOBT-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000487857354 502548140 /nfs/dbraw/zinc/54/81/40/502548140.db2.gz JTNNAVYBKJSOBT-GOSISDBHSA-N 1 3 364.578 3.157 20 0 FGADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865750 502575288 /nfs/dbraw/zinc/57/52/88/502575288.db2.gz YZCIZYNBHKKHID-APWZRJJASA-N 1 3 363.933 3.037 20 0 FGADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000476762190 502580713 /nfs/dbraw/zinc/58/07/13/502580713.db2.gz MURFWNCJQFCKCA-VYDXJSESSA-N 1 3 351.560 3.414 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000466475416 502580943 /nfs/dbraw/zinc/58/09/43/502580943.db2.gz SYRASJGXHHGEBQ-FGZHOGPDSA-N 1 3 357.542 3.123 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600045 502616747 /nfs/dbraw/zinc/61/67/47/502616747.db2.gz HJBAYSZDQMAIQN-GCJKJVERSA-N 1 3 365.521 3.437 20 0 FGADHO CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600045 502616754 /nfs/dbraw/zinc/61/67/54/502616754.db2.gz HJBAYSZDQMAIQN-GCJKJVERSA-N 1 3 365.521 3.437 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480621140 502623470 /nfs/dbraw/zinc/62/34/70/502623470.db2.gz IYKCGHWKXRXXGC-AUSIDOKSSA-N 1 3 367.537 3.300 20 0 FGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632141 502628668 /nfs/dbraw/zinc/62/86/68/502628668.db2.gz RINGXAQFOCGTPC-IAGOWNOFSA-N 1 3 367.559 3.221 20 0 FGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632141 502628672 /nfs/dbraw/zinc/62/86/72/502628672.db2.gz RINGXAQFOCGTPC-IAGOWNOFSA-N 1 3 367.559 3.221 20 0 FGADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374616 502634375 /nfs/dbraw/zinc/63/43/75/502634375.db2.gz REWGAKFWLLUJOT-SVFBPWRDSA-N 1 3 372.557 3.071 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739345 502658506 /nfs/dbraw/zinc/65/85/06/502658506.db2.gz MSVKXSJVVKABFK-CTNGQTDRSA-N 1 3 374.573 3.299 20 0 FGADHO CC1CCN(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000477060795 502665605 /nfs/dbraw/zinc/66/56/05/502665605.db2.gz UUWGOZUERDOZNZ-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO CC1CCN(CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000477060795 502665609 /nfs/dbraw/zinc/66/56/09/502665609.db2.gz UUWGOZUERDOZNZ-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000463063908 502681223 /nfs/dbraw/zinc/68/12/23/502681223.db2.gz FUMIIVZXIJKYNJ-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000463063908 502681227 /nfs/dbraw/zinc/68/12/27/502681227.db2.gz FUMIIVZXIJKYNJ-IBGZPJMESA-N 1 3 374.573 3.413 20 0 FGADHO C[C@@H](NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183989 502702257 /nfs/dbraw/zinc/70/22/57/502702257.db2.gz BMUCCOITPPDLEI-XLIONFOSSA-N 1 3 374.573 3.173 20 0 FGADHO CN1CCC(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)(N2CCCCC2)CC1 ZINC000488418704 502709022 /nfs/dbraw/zinc/70/90/22/502709022.db2.gz FVMZDDZFEZYXMT-QZTJIDSGSA-N 1 3 353.620 3.447 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000484719710 502719547 /nfs/dbraw/zinc/71/95/47/502719547.db2.gz OVRKZYOSAZUZNH-RMVXJAJNSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027758 502732828 /nfs/dbraw/zinc/73/28/28/502732828.db2.gz VKFLDEICIWXRGJ-DZGCQCFKSA-N 1 3 362.461 3.448 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488597470 502761897 /nfs/dbraw/zinc/76/18/97/502761897.db2.gz PEQHHWFSCWSIHG-GOSISDBHSA-N 1 3 352.567 3.014 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455177 502841709 /nfs/dbraw/zinc/84/17/09/502841709.db2.gz NEMPNGZZZJSLLJ-XLAORIBOSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455175 502841917 /nfs/dbraw/zinc/84/19/17/502841917.db2.gz NEMPNGZZZJSLLJ-FJIDUMEYSA-N 1 3 364.534 3.271 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000495455175 502841921 /nfs/dbraw/zinc/84/19/21/502841921.db2.gz NEMPNGZZZJSLLJ-FJIDUMEYSA-N 1 3 364.534 3.271 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000500816106 502869667 /nfs/dbraw/zinc/86/96/67/502869667.db2.gz WWPBHHHVMJINHL-MSOLQXFVSA-N 1 3 352.567 3.013 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000501049076 502922303 /nfs/dbraw/zinc/92/23/03/502922303.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 1 3 352.567 3.062 20 0 FGADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000501049076 502922304 /nfs/dbraw/zinc/92/23/04/502922304.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064873 502925755 /nfs/dbraw/zinc/92/57/55/502925755.db2.gz ZPVGXTLHSGAACT-INIZCTEOSA-N 1 3 370.472 3.396 20 0 FGADHO COc1ccccc1CCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000505555133 502935153 /nfs/dbraw/zinc/93/51/53/502935153.db2.gz IKCYOUJIOCEXRF-OALUTQOASA-N 1 3 360.542 3.449 20 0 FGADHO C[C@@H]1C[C@@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000513493904 502952636 /nfs/dbraw/zinc/95/26/36/502952636.db2.gz DLPZZRGLMZTVIQ-IEBWSBKVSA-N 1 3 368.525 3.107 20 0 FGADHO C[C@@H]1C[C@@H](CCNCc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493904 502952639 /nfs/dbraw/zinc/95/26/39/502952639.db2.gz DLPZZRGLMZTVIQ-IEBWSBKVSA-N 1 3 368.525 3.107 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655145 502991908 /nfs/dbraw/zinc/99/19/08/502991908.db2.gz LKWUJWDCUDYCKY-VAMGGRTRSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655145 502991910 /nfs/dbraw/zinc/99/19/10/502991910.db2.gz LKWUJWDCUDYCKY-VAMGGRTRSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)no1 ZINC000513655145 502991911 /nfs/dbraw/zinc/99/19/11/502991911.db2.gz LKWUJWDCUDYCKY-VAMGGRTRSA-N 1 3 368.525 3.455 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCC(C)CC1 ZINC000501499606 503021398 /nfs/dbraw/zinc/02/13/98/503021398.db2.gz GBHBOZYBKIZDHT-UHFFFAOYSA-N 1 3 360.546 3.060 20 0 FGADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000501524359 503028319 /nfs/dbraw/zinc/02/83/19/503028319.db2.gz RCQQCZPGIWRHLJ-SFHVURJKSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547737 503034686 /nfs/dbraw/zinc/03/46/86/503034686.db2.gz CXBHGJUXJMSPAY-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000501550417 503035595 /nfs/dbraw/zinc/03/55/95/503035595.db2.gz KPQHIDYMQMMJFM-ZWKOTPCHSA-N 1 3 352.567 3.013 20 0 FGADHO Cn1c(=O)oc2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000510333547 503094140 /nfs/dbraw/zinc/09/41/40/503094140.db2.gz YJEZAZWTSYJZNV-MRXNPFEDSA-N 1 3 371.506 3.195 20 0 FGADHO Cn1c(=O)oc2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000510333547 503094144 /nfs/dbraw/zinc/09/41/44/503094144.db2.gz YJEZAZWTSYJZNV-MRXNPFEDSA-N 1 3 371.506 3.195 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344550 503095848 /nfs/dbraw/zinc/09/58/48/503095848.db2.gz COARARJJRFQMCC-ICSRJNTNSA-N 1 3 370.541 3.092 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000510350291 503097113 /nfs/dbraw/zinc/09/71/13/503097113.db2.gz HYTOHNGJUADXHJ-HDICACEKSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000510350291 503097117 /nfs/dbraw/zinc/09/71/17/503097117.db2.gz HYTOHNGJUADXHJ-HDICACEKSA-N 1 3 364.578 3.013 20 0 FGADHO COc1cc(N[C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067712 503103038 /nfs/dbraw/zinc/10/30/38/503103038.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 1 3 361.530 3.455 20 0 FGADHO COc1cc(N[C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)cc(OC)c1 ZINC000490067712 503103039 /nfs/dbraw/zinc/10/30/39/503103039.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 1 3 361.530 3.455 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514220106 503117071 /nfs/dbraw/zinc/11/70/71/503117071.db2.gz UWLHYURNDOOPCG-ZVDOUQERSA-N 1 3 374.573 3.265 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C)C)cc1 ZINC000514220106 503117072 /nfs/dbraw/zinc/11/70/72/503117072.db2.gz UWLHYURNDOOPCG-ZVDOUQERSA-N 1 3 374.573 3.265 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000498270599 503147872 /nfs/dbraw/zinc/14/78/72/503147872.db2.gz AQSOZFNSULSHOR-DZFGPLHGSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000498270599 503147874 /nfs/dbraw/zinc/14/78/74/503147874.db2.gz AQSOZFNSULSHOR-DZFGPLHGSA-N 1 3 372.557 3.242 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCCC1)c1ccco1 ZINC000502135363 503149059 /nfs/dbraw/zinc/14/90/59/503149059.db2.gz DPWHCLHFBVDTAO-KSZLIROESA-N 1 3 364.534 3.273 20 0 FGADHO C[C@@H]1CCc2nc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)sc2C1 ZINC000498351469 503164338 /nfs/dbraw/zinc/16/43/38/503164338.db2.gz CJDCDEPVXHROMT-PMPSAXMXSA-N 1 3 351.560 3.247 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)C ZINC000498403649 503179891 /nfs/dbraw/zinc/17/98/91/503179891.db2.gz WFCOHJSGRBPFAP-XKYVRNMRSA-N 1 3 372.557 3.301 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000498403649 503179894 /nfs/dbraw/zinc/17/98/94/503179894.db2.gz WFCOHJSGRBPFAP-XKYVRNMRSA-N 1 3 372.557 3.301 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000498418971 503183572 /nfs/dbraw/zinc/18/35/72/503183572.db2.gz AMJDBEOLIHXAJB-PXNSSMCTSA-N 1 3 360.546 3.099 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741725 503183917 /nfs/dbraw/zinc/18/39/17/503183917.db2.gz PCALGJSEZURHBV-MOPGFXCFSA-N 1 3 369.553 3.096 20 0 FGADHO C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741725 503183919 /nfs/dbraw/zinc/18/39/19/503183919.db2.gz PCALGJSEZURHBV-MOPGFXCFSA-N 1 3 369.553 3.096 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000507090689 503228280 /nfs/dbraw/zinc/22/82/80/503228280.db2.gz VDLTYOKUNBODFZ-WOJBJXKFSA-N 1 3 360.546 3.061 20 0 FGADHO CCC1(C)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000507181790 503244416 /nfs/dbraw/zinc/24/44/16/503244416.db2.gz LUJGKVQEAKUIOR-UHFFFAOYSA-N 1 3 357.542 3.411 20 0 FGADHO Brc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000515062317 503263317 /nfs/dbraw/zinc/26/33/17/503263317.db2.gz DQGDNDUFYJQFNC-AWEZNQCLSA-N 1 3 372.376 3.018 20 0 FGADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000502811782 503279138 /nfs/dbraw/zinc/27/91/38/503279138.db2.gz CZBXUQCUNYINQM-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286891 /nfs/dbraw/zinc/28/68/91/503286891.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 1 3 372.557 3.213 20 0 FGADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286895 /nfs/dbraw/zinc/28/68/95/503286895.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 1 3 372.557 3.213 20 0 FGADHO Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 ZINC000507464381 503303416 /nfs/dbraw/zinc/30/34/16/503303416.db2.gz XJSUNZIUIIRRQA-NJDAHSKKSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507464381 503303421 /nfs/dbraw/zinc/30/34/21/503303421.db2.gz XJSUNZIUIIRRQA-NJDAHSKKSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507464381 503303424 /nfs/dbraw/zinc/30/34/24/503303424.db2.gz XJSUNZIUIIRRQA-NJDAHSKKSA-N 1 3 350.510 3.302 20 0 FGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H](O)C(F)(F)F ZINC000507510237 503311297 /nfs/dbraw/zinc/31/12/97/503311297.db2.gz MRMQYPRPESFUJT-ICUGJSFKSA-N 1 3 356.432 3.188 20 0 FGADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521985 503315184 /nfs/dbraw/zinc/31/51/84/503315184.db2.gz CKORTKHGYSMHGI-FSSWDIPSSA-N 1 3 369.553 3.442 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)C ZINC000503431397 503407878 /nfs/dbraw/zinc/40/78/78/503407878.db2.gz QAYHIRXWRJKYAI-LANMQJKKSA-N 1 3 372.557 3.302 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000511921439 503416798 /nfs/dbraw/zinc/41/67/98/503416798.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000511921439 503416803 /nfs/dbraw/zinc/41/68/03/503416803.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 1 3 364.578 3.157 20 0 FGADHO C[C@H](CNC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000516048599 503436731 /nfs/dbraw/zinc/43/67/31/503436731.db2.gz JYXQYACBBZHAEI-UWVAXJGDSA-N 1 3 368.949 3.490 20 0 FGADHO C[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000516048599 503436737 /nfs/dbraw/zinc/43/67/37/503436737.db2.gz JYXQYACBBZHAEI-UWVAXJGDSA-N 1 3 368.949 3.490 20 0 FGADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2c(c1)oc(=O)n2C ZINC000512046114 503442355 /nfs/dbraw/zinc/44/23/55/503442355.db2.gz QMRDHKXXWFUGSA-UHFFFAOYSA-N 1 3 353.466 3.262 20 0 FGADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2c(c1)oc(=O)n2C ZINC000512046114 503442357 /nfs/dbraw/zinc/44/23/57/503442357.db2.gz QMRDHKXXWFUGSA-UHFFFAOYSA-N 1 3 353.466 3.262 20 0 FGADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493926215 503459572 /nfs/dbraw/zinc/45/95/72/503459572.db2.gz NWDNOYHKAWYQGV-OAQYLSRUSA-N 1 3 366.505 3.127 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000499938115 503515166 /nfs/dbraw/zinc/51/51/66/503515166.db2.gz XPHNXXMFSCLPFV-UHFFFAOYSA-N 1 3 352.906 3.462 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000499938115 503515169 /nfs/dbraw/zinc/51/51/69/503515169.db2.gz XPHNXXMFSCLPFV-UHFFFAOYSA-N 1 3 352.906 3.462 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(CC[NH3+])CC1 ZINC000516479703 503517443 /nfs/dbraw/zinc/51/74/43/503517443.db2.gz ULWYRZROQNWVCE-DLBZAZTESA-N 1 3 353.510 3.466 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000516562183 503537152 /nfs/dbraw/zinc/53/71/52/503537152.db2.gz DCVVQSCPJKSAEY-CRINZODVSA-N 1 3 368.569 3.035 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562183 503537156 /nfs/dbraw/zinc/53/71/56/503537156.db2.gz DCVVQSCPJKSAEY-CRINZODVSA-N 1 3 368.569 3.035 20 0 FGADHO Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000508693735 503544210 /nfs/dbraw/zinc/54/42/10/503544210.db2.gz BJQXSLDCWAVDJZ-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508693735 503544213 /nfs/dbraw/zinc/54/42/13/503544213.db2.gz BJQXSLDCWAVDJZ-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1ccc(C(=O)NCCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693735 503544217 /nfs/dbraw/zinc/54/42/17/503544217.db2.gz BJQXSLDCWAVDJZ-DENIHFKCSA-N 1 3 365.521 3.225 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccco1 ZINC000500097413 503553186 /nfs/dbraw/zinc/55/31/86/503553186.db2.gz JKBGGSVRPRZURN-FCCDEINASA-N 1 3 364.534 3.128 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000500103701 503554753 /nfs/dbraw/zinc/55/47/53/503554753.db2.gz TVVAGYZLDZZTSY-NRSPTQNISA-N 1 3 357.542 3.278 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000500103701 503554755 /nfs/dbraw/zinc/55/47/55/503554755.db2.gz TVVAGYZLDZZTSY-NRSPTQNISA-N 1 3 357.542 3.278 20 0 FGADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C ZINC000500130642 503561655 /nfs/dbraw/zinc/56/16/55/503561655.db2.gz KSEYJUOXYLWTNU-LANMQJKKSA-N 1 3 374.573 3.406 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C ZINC000508842183 503575030 /nfs/dbraw/zinc/57/50/30/503575030.db2.gz BLCRKSJWDAHLIT-HKUYNNGSSA-N 1 3 360.546 3.112 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508860220 503581019 /nfs/dbraw/zinc/58/10/19/503581019.db2.gz DGXRKUQQKOHUSR-DYXWJJEUSA-N 1 3 374.573 3.360 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508860220 503581024 /nfs/dbraw/zinc/58/10/24/503581024.db2.gz DGXRKUQQKOHUSR-DYXWJJEUSA-N 1 3 374.573 3.360 20 0 FGADHO CC(C)C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCc2cccnc21 ZINC000516770924 503583793 /nfs/dbraw/zinc/58/37/93/503583793.db2.gz UEFLFWCHFFEOMR-BDTNDASRSA-N 1 3 367.537 3.348 20 0 FGADHO CC(C)C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCc2cccnc21 ZINC000516770924 503583795 /nfs/dbraw/zinc/58/37/95/503583795.db2.gz UEFLFWCHFFEOMR-BDTNDASRSA-N 1 3 367.537 3.348 20 0 FGADHO CC(C)CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCc2cccnc21 ZINC000516770924 503583797 /nfs/dbraw/zinc/58/37/97/503583797.db2.gz UEFLFWCHFFEOMR-BDTNDASRSA-N 1 3 367.537 3.348 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578286 503589058 /nfs/dbraw/zinc/58/90/58/503589058.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 1 3 357.542 3.276 20 0 FGADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578286 503589060 /nfs/dbraw/zinc/58/90/60/503589060.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 1 3 357.542 3.276 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCC[NH+]1CCCC1)N(C)C ZINC000508893998 503592440 /nfs/dbraw/zinc/59/24/40/503592440.db2.gz JWKSCJPYMGOZEB-ICSRJNTNSA-N 1 3 360.546 3.114 20 0 FGADHO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000508901424 503594778 /nfs/dbraw/zinc/59/47/78/503594778.db2.gz YQNARIJNNGBPDG-WIYYLYMNSA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N(C)C ZINC000508923805 503601458 /nfs/dbraw/zinc/60/14/58/503601458.db2.gz OLEOIPZWUMHFKC-YHELAOLJSA-N 1 3 372.557 3.112 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N(C)C ZINC000508923805 503601462 /nfs/dbraw/zinc/60/14/62/503601462.db2.gz OLEOIPZWUMHFKC-YHELAOLJSA-N 1 3 372.557 3.112 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117933 503674116 /nfs/dbraw/zinc/67/41/16/503674116.db2.gz GTADMUMFTPUELV-KWEPMOPPSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117933 503674122 /nfs/dbraw/zinc/67/41/22/503674122.db2.gz GTADMUMFTPUELV-KWEPMOPPSA-N 1 3 361.505 3.104 20 0 FGADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000529717434 503676283 /nfs/dbraw/zinc/67/62/83/503676283.db2.gz GNCQHDWOBIUZNI-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000529717434 503676285 /nfs/dbraw/zinc/67/62/85/503676285.db2.gz GNCQHDWOBIUZNI-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO c1ccc([C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000540303255 503732472 /nfs/dbraw/zinc/73/24/72/503732472.db2.gz YFCICEVXJYIOLU-JOCHJYFZSA-N 1 3 350.510 3.335 20 0 FGADHO CCn1nccc1CNCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000540325103 503737154 /nfs/dbraw/zinc/73/71/54/503737154.db2.gz WNMFUXKPOIIWKM-RTBURBONSA-N 1 3 370.541 3.202 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394220 503757624 /nfs/dbraw/zinc/75/76/24/503757624.db2.gz JMUGMLJJFUJQQX-OTWHNJEPSA-N 1 3 370.541 3.280 20 0 FGADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394220 503757628 /nfs/dbraw/zinc/75/76/28/503757628.db2.gz JMUGMLJJFUJQQX-OTWHNJEPSA-N 1 3 370.541 3.280 20 0 FGADHO CC[N@H+](CCC1CCN(C(=O)CN2CCC(C)CC2)CC1)CC(C)C ZINC000536925999 503762705 /nfs/dbraw/zinc/76/27/05/503762705.db2.gz SNXWXVPWQPEGLV-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO CC[N@@H+](CCC1CCN(C(=O)CN2CCC(C)CC2)CC1)CC(C)C ZINC000536925999 503762708 /nfs/dbraw/zinc/76/27/08/503762708.db2.gz SNXWXVPWQPEGLV-UHFFFAOYSA-N 1 3 351.579 3.325 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543705 503766738 /nfs/dbraw/zinc/76/67/38/503766738.db2.gz ZLBUZDUJYAIFEF-XLIONFOSSA-N 1 3 372.557 3.384 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000543432204 503767705 /nfs/dbraw/zinc/76/77/05/503767705.db2.gz HRZWWWNXYQUMLJ-IBGZPJMESA-N 1 3 359.558 3.320 20 0 FGADHO CC(C)COc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000540504447 503796225 /nfs/dbraw/zinc/79/62/25/503796225.db2.gz FUYRPEAYDPEPRQ-KNQAVFIVSA-N 1 3 359.558 3.179 20 0 FGADHO CC(C)COc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000540504447 503796232 /nfs/dbraw/zinc/79/62/32/503796232.db2.gz FUYRPEAYDPEPRQ-KNQAVFIVSA-N 1 3 359.558 3.179 20 0 FGADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2=CCN(C)CC2)c1 ZINC000540585483 503824448 /nfs/dbraw/zinc/82/44/48/503824448.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 1 3 372.557 3.370 20 0 FGADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2=CCN(C)CC2)c1 ZINC000540585483 503824452 /nfs/dbraw/zinc/82/44/52/503824452.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 1 3 372.557 3.370 20 0 FGADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2ccccc2o1 ZINC000537346196 503884679 /nfs/dbraw/zinc/88/46/79/503884679.db2.gz YHHPPXVRIZGTPW-QFIPXVFZSA-N 1 3 373.541 3.110 20 0 FGADHO Clc1cc2cccnc2c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239992 503890033 /nfs/dbraw/zinc/89/00/33/503890033.db2.gz JAORFLPLLCBVFT-IBGZPJMESA-N 1 3 359.901 3.479 20 0 FGADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676606 503891349 /nfs/dbraw/zinc/89/13/49/503891349.db2.gz UEDMCNSWCCIYLI-ZWKOTPCHSA-N 1 3 372.431 3.181 20 0 FGADHO FC(F)(F)c1ccccc1OCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243757 503892618 /nfs/dbraw/zinc/89/26/18/503892618.db2.gz YLOMGYDNOHDVNG-INIZCTEOSA-N 1 3 372.431 3.175 20 0 FGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518094714 503907804 /nfs/dbraw/zinc/90/78/04/503907804.db2.gz UQRZKPKPKHYAPS-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000518344774 503958066 /nfs/dbraw/zinc/95/80/66/503958066.db2.gz XTMNEDZDZJEMGS-HMXCVIKNSA-N 1 3 372.557 3.276 20 0 FGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976267 503962178 /nfs/dbraw/zinc/96/21/78/503962178.db2.gz HFHBWMCCZUWKJE-CMOCDZPBSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976267 503962183 /nfs/dbraw/zinc/96/21/83/503962183.db2.gz HFHBWMCCZUWKJE-CMOCDZPBSA-N 1 3 358.526 3.072 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976267 503962186 /nfs/dbraw/zinc/96/21/86/503962186.db2.gz HFHBWMCCZUWKJE-CMOCDZPBSA-N 1 3 358.526 3.072 20 0 FGADHO C[C@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000518438957 503985106 /nfs/dbraw/zinc/98/51/06/503985106.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 1 3 360.546 3.069 20 0 FGADHO C[C@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1 ZINC000518438957 503985112 /nfs/dbraw/zinc/98/51/12/503985112.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 1 3 360.546 3.069 20 0 FGADHO CN(C)CC[C@@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046389 503985601 /nfs/dbraw/zinc/98/56/01/503985601.db2.gz VDECMTZAMUEDKW-JKSUJKDBSA-N 1 3 373.463 3.058 20 0 FGADHO CCC[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000518443306 503987288 /nfs/dbraw/zinc/98/72/88/503987288.db2.gz IFZJTJODNZCGPJ-LJQANCHMSA-N 1 3 371.569 3.320 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694959 504008517 /nfs/dbraw/zinc/00/85/17/504008517.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 1 3 370.585 3.135 20 0 FGADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694959 504008520 /nfs/dbraw/zinc/00/85/20/504008520.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 1 3 370.585 3.135 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000530641698 504036456 /nfs/dbraw/zinc/03/64/56/504036456.db2.gz BIDLJNZMVAOQQV-UHFFFAOYSA-N 1 3 358.530 3.031 20 0 FGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216288 504046143 /nfs/dbraw/zinc/04/61/43/504046143.db2.gz KUZNNNMSWMQICX-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216288 504046146 /nfs/dbraw/zinc/04/61/46/504046146.db2.gz KUZNNNMSWMQICX-LSDHHAIUSA-N 1 3 367.921 3.387 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066327 /nfs/dbraw/zinc/06/63/27/504066327.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 1 3 363.571 3.069 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066330 /nfs/dbraw/zinc/06/63/30/504066330.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 1 3 363.571 3.069 20 0 FGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@H](C)C1 ZINC000544381939 504110651 /nfs/dbraw/zinc/11/06/51/504110651.db2.gz LFCOIDFMGXIUSX-DBXWQHBBSA-N 1 3 357.542 3.427 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021660 504117157 /nfs/dbraw/zinc/11/71/57/504117157.db2.gz UIBCDEWFCNCQDI-LNCBFAARSA-N 1 3 369.431 3.129 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000519017772 504119636 /nfs/dbraw/zinc/11/96/36/504119636.db2.gz LQHNWGKUVRLYNN-HXUWFJFHSA-N 1 3 374.573 3.272 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507890 504130615 /nfs/dbraw/zinc/13/06/15/504130615.db2.gz DJWPEVCTUVGVFM-WHCFWRGISA-N 1 3 358.526 3.213 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507890 504130618 /nfs/dbraw/zinc/13/06/18/504130618.db2.gz DJWPEVCTUVGVFM-WHCFWRGISA-N 1 3 358.526 3.213 20 0 FGADHO CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544818060 504269463 /nfs/dbraw/zinc/26/94/63/504269463.db2.gz ZMFDRVCUTMLBEF-FQEVSTJZSA-N 1 3 372.557 3.024 20 0 FGADHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)Cc2ccccc2C1 ZINC000541882363 504289629 /nfs/dbraw/zinc/28/96/29/504289629.db2.gz FJDIKBQFZBVDGR-RJGXRXQPSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)Cc2ccccc2C1 ZINC000541882363 504289635 /nfs/dbraw/zinc/28/96/35/504289635.db2.gz FJDIKBQFZBVDGR-RJGXRXQPSA-N 1 3 362.517 3.017 20 0 FGADHO OC1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)Cc2ccccc2C1 ZINC000541882363 504289642 /nfs/dbraw/zinc/28/96/42/504289642.db2.gz FJDIKBQFZBVDGR-RJGXRXQPSA-N 1 3 362.517 3.017 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534967446 504296300 /nfs/dbraw/zinc/29/63/00/504296300.db2.gz XKAUNLUDOLEZMB-FQEVSTJZSA-N 1 3 369.553 3.376 20 0 FGADHO C[C@@H](C(=O)N1CCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967446 504296303 /nfs/dbraw/zinc/29/63/03/504296303.db2.gz XKAUNLUDOLEZMB-FQEVSTJZSA-N 1 3 369.553 3.376 20 0 FGADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000538725308 504345190 /nfs/dbraw/zinc/34/51/90/504345190.db2.gz NERAPUFDTBFWMF-UHFFFAOYSA-N 1 3 362.562 3.332 20 0 FGADHO CN(c1ccccc1C[NH2+]CCc1ccc(O)cc1)C1CCN(C)CC1 ZINC000531594591 504358250 /nfs/dbraw/zinc/35/82/50/504358250.db2.gz VIKHXHTYRPSMBL-UHFFFAOYSA-N 1 3 353.510 3.255 20 0 FGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000539071687 504464872 /nfs/dbraw/zinc/46/48/72/504464872.db2.gz YJDAHTCKFGEOBQ-IPMKNSEASA-N 1 3 361.530 3.191 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936864 504481023 /nfs/dbraw/zinc/48/10/23/504481023.db2.gz ITBCEWSRIWZVON-PXNSSMCTSA-N 1 3 361.530 3.262 20 0 FGADHO Cc1cccc(C)c1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000545469588 504497418 /nfs/dbraw/zinc/49/74/18/504497418.db2.gz VODYATPHBBJQDT-SFHVURJKSA-N 1 3 372.557 3.222 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3cccs3)s2)CC1 ZINC000532120910 504541292 /nfs/dbraw/zinc/54/12/92/504541292.db2.gz XLZKBMXOZSYGDU-UHFFFAOYSA-N 1 3 351.541 3.197 20 0 FGADHO CC(C)C[C@H](CNC(=O)NCC1=CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485312 504585724 /nfs/dbraw/zinc/58/57/24/504585724.db2.gz FRZFGUREXTYFOL-GHTZIAJQSA-N 1 3 372.557 3.313 20 0 FGADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000532491557 504669328 /nfs/dbraw/zinc/66/93/28/504669328.db2.gz HXELLUNQQVQKEI-CHWSQXEVSA-N 1 3 356.308 3.096 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC(F)(F)C1 ZINC000529539090 504721061 /nfs/dbraw/zinc/72/10/61/504721061.db2.gz PLXQETNHMNXHRX-OAHLLOKOSA-N 1 3 365.468 3.036 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270132 504832609 /nfs/dbraw/zinc/83/26/09/504832609.db2.gz ZVYIWHXRMUDYMG-KHSAKVFQSA-N 1 3 368.525 3.102 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270132 504832612 /nfs/dbraw/zinc/83/26/12/504832612.db2.gz ZVYIWHXRMUDYMG-KHSAKVFQSA-N 1 3 368.525 3.102 20 0 FGADHO CC[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000565303931 504849407 /nfs/dbraw/zinc/84/94/07/504849407.db2.gz XITLVVAPOFBFGE-LMMKCTJWSA-N 1 3 363.933 3.229 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000565410726 504879651 /nfs/dbraw/zinc/87/96/51/504879651.db2.gz TXTMXFRFEVMBBJ-UHFFFAOYSA-N 1 3 358.530 3.308 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000565410726 504879653 /nfs/dbraw/zinc/87/96/53/504879653.db2.gz TXTMXFRFEVMBBJ-UHFFFAOYSA-N 1 3 358.530 3.308 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000549766124 504891978 /nfs/dbraw/zinc/89/19/78/504891978.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 1 3 357.542 3.374 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000549766124 504891982 /nfs/dbraw/zinc/89/19/82/504891982.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 1 3 357.542 3.374 20 0 FGADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654867 504950588 /nfs/dbraw/zinc/95/05/88/504950588.db2.gz NRAQBNHLTVMXGZ-KJXAQDMKSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654867 504950590 /nfs/dbraw/zinc/95/05/90/504950590.db2.gz NRAQBNHLTVMXGZ-KJXAQDMKSA-N 1 3 374.569 3.399 20 0 FGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654867 504950593 /nfs/dbraw/zinc/95/05/93/504950593.db2.gz NRAQBNHLTVMXGZ-KJXAQDMKSA-N 1 3 374.569 3.399 20 0 FGADHO C[NH+](C)CCOCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000560002819 504968324 /nfs/dbraw/zinc/96/83/24/504968324.db2.gz RVQVEAZWLBCNLC-MRXNPFEDSA-N 1 3 363.502 3.494 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@@H]2CC=CCC2)CC1 ZINC000562894467 504979020 /nfs/dbraw/zinc/97/90/20/504979020.db2.gz PJCXLHXSDNEYQM-HXUWFJFHSA-N 1 3 369.553 3.364 20 0 FGADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998353 /nfs/dbraw/zinc/99/83/53/504998353.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 1 3 369.431 3.452 20 0 FGADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998357 /nfs/dbraw/zinc/99/83/57/504998357.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 1 3 369.431 3.452 20 0 FGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1cccc(-n2ccnn2)c1 ZINC000562962346 505000784 /nfs/dbraw/zinc/00/07/84/505000784.db2.gz FGCOZGSJWKWHKZ-WPIBWQAYSA-N 1 3 351.498 3.072 20 0 FGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988900 505011817 /nfs/dbraw/zinc/01/18/17/505011817.db2.gz CQSSNBIBSJZRBS-ZBFHGGJFSA-N 1 3 357.420 3.496 20 0 FGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000562988900 505011819 /nfs/dbraw/zinc/01/18/19/505011819.db2.gz CQSSNBIBSJZRBS-ZBFHGGJFSA-N 1 3 357.420 3.496 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccsc1 ZINC000563060290 505036423 /nfs/dbraw/zinc/03/64/23/505036423.db2.gz CFRKZVZUHQEDBP-MOPGFXCFSA-N 1 3 357.523 3.134 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557036128 505049461 /nfs/dbraw/zinc/04/94/61/505049461.db2.gz ZNGCVSKTFOYMNY-RDJZCZTQSA-N 1 3 356.514 3.107 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036128 505049463 /nfs/dbraw/zinc/04/94/63/505049463.db2.gz ZNGCVSKTFOYMNY-RDJZCZTQSA-N 1 3 356.514 3.107 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000563159359 505062974 /nfs/dbraw/zinc/06/29/74/505062974.db2.gz HWYBTNBWZAMZCH-AZUAARDMSA-N 1 3 369.484 3.010 20 0 FGADHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615102 505074238 /nfs/dbraw/zinc/07/42/38/505074238.db2.gz DTRXCQAPYBHGJE-VXKWHMMOSA-N 1 3 361.493 3.252 20 0 FGADHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615102 505074241 /nfs/dbraw/zinc/07/42/41/505074241.db2.gz DTRXCQAPYBHGJE-VXKWHMMOSA-N 1 3 361.493 3.252 20 0 FGADHO COC[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1F ZINC000554073612 505081460 /nfs/dbraw/zinc/08/14/60/505081460.db2.gz YZBYPYDVHJBZGE-SFHVURJKSA-N 1 3 371.928 3.030 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000566171939 505104535 /nfs/dbraw/zinc/10/45/35/505104535.db2.gz ICHMJYAMUISMFW-GOSISDBHSA-N 1 3 365.521 3.421 20 0 FGADHO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352338 505118123 /nfs/dbraw/zinc/11/81/23/505118123.db2.gz CBPZEKFOZXLEOC-HUUCEWRRSA-N 1 3 350.890 3.083 20 0 FGADHO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000563352338 505118127 /nfs/dbraw/zinc/11/81/27/505118127.db2.gz CBPZEKFOZXLEOC-HUUCEWRRSA-N 1 3 350.890 3.083 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000554217590 505118892 /nfs/dbraw/zinc/11/88/92/505118892.db2.gz DVZIYEQSZRUZKY-QFIPXVFZSA-N 1 3 372.557 3.026 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252186 505125621 /nfs/dbraw/zinc/12/56/21/505125621.db2.gz GXNGDLMZCCGBQT-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252186 505125625 /nfs/dbraw/zinc/12/56/25/505125625.db2.gz GXNGDLMZCCGBQT-BZSNNMDCSA-N 1 3 364.534 3.273 20 0 FGADHO Cc1ccc([C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000563499220 505157259 /nfs/dbraw/zinc/15/72/59/505157259.db2.gz QWNNOSRSRZIKDV-FQEVSTJZSA-N 1 3 352.482 3.065 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000557627986 505186192 /nfs/dbraw/zinc/18/61/92/505186192.db2.gz NPGZNSUJMSEQOB-LEWJYISDSA-N 1 3 361.574 3.268 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000560920547 505211245 /nfs/dbraw/zinc/21/12/45/505211245.db2.gz SAEAKOXMLNMULQ-PKOBYXMFSA-N 1 3 362.514 3.006 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812175 505236144 /nfs/dbraw/zinc/23/61/44/505236144.db2.gz NEWZPNJSDXZUNU-IZZBFERCSA-N 1 3 370.541 3.090 20 0 FGADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000563936793 505281061 /nfs/dbraw/zinc/28/10/61/505281061.db2.gz LHJCRDSUQARYOA-YPAWHYETSA-N 1 3 363.505 3.318 20 0 FGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279259 505301632 /nfs/dbraw/zinc/30/16/32/505301632.db2.gz NANSNWHYMWPCKG-OALUTQOASA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279259 505301635 /nfs/dbraw/zinc/30/16/35/505301635.db2.gz NANSNWHYMWPCKG-OALUTQOASA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279259 505301638 /nfs/dbraw/zinc/30/16/38/505301638.db2.gz NANSNWHYMWPCKG-OALUTQOASA-N 1 3 368.525 3.150 20 0 FGADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080296 505320327 /nfs/dbraw/zinc/32/03/27/505320327.db2.gz CFGAAOFGZIRWRW-QGZVFWFLSA-N 1 3 366.509 3.096 20 0 FGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000561395218 505334921 /nfs/dbraw/zinc/33/49/21/505334921.db2.gz JXOFVYDJQADPJZ-KRWDZBQOSA-N 1 3 352.592 3.190 20 0 FGADHO O[C@@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000558252910 505345241 /nfs/dbraw/zinc/34/52/41/505345241.db2.gz AUKZFTCWSZDSJC-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000558252910 505345244 /nfs/dbraw/zinc/34/52/44/505345244.db2.gz AUKZFTCWSZDSJC-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000558252910 505345248 /nfs/dbraw/zinc/34/52/48/505345248.db2.gz AUKZFTCWSZDSJC-SSGKUCQKSA-N 1 3 350.506 3.090 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000558345376 505364568 /nfs/dbraw/zinc/36/45/68/505364568.db2.gz OANUCKJSDZQMJB-UHOSZYNNSA-N 1 3 372.513 3.311 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000567107883 505365308 /nfs/dbraw/zinc/36/53/08/505365308.db2.gz WJMAGRJCSKKDOR-UGKGYDQZSA-N 1 3 369.553 3.340 20 0 FGADHO CC[C@@H]1C[C@H](CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147729 505377071 /nfs/dbraw/zinc/37/70/71/505377071.db2.gz YPMGXXYPLAVZOH-DNVJHFABSA-N 1 3 371.569 3.084 20 0 FGADHO CC[C@@H]1C[C@H](CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147729 505377073 /nfs/dbraw/zinc/37/70/73/505377073.db2.gz YPMGXXYPLAVZOH-DNVJHFABSA-N 1 3 371.569 3.084 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046300 505381134 /nfs/dbraw/zinc/38/11/34/505381134.db2.gz CNHQZIWMXPLLQJ-CWJKEVGVSA-N 1 3 358.526 3.373 20 0 FGADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000552065581 505388954 /nfs/dbraw/zinc/38/89/54/505388954.db2.gz FXGXCSFLLRWHOF-LRSLUSHPSA-N 1 3 364.537 3.478 20 0 FGADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000561976467 505483208 /nfs/dbraw/zinc/48/32/08/505483208.db2.gz HMZVMMFEGLDLEG-UHFFFAOYSA-N 1 3 359.558 3.248 20 0 FGADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000561976467 505483210 /nfs/dbraw/zinc/48/32/10/505483210.db2.gz HMZVMMFEGLDLEG-UHFFFAOYSA-N 1 3 359.558 3.248 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000561976467 505483212 /nfs/dbraw/zinc/48/32/12/505483212.db2.gz HMZVMMFEGLDLEG-UHFFFAOYSA-N 1 3 359.558 3.248 20 0 FGADHO CCCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000558763525 505486211 /nfs/dbraw/zinc/48/62/11/505486211.db2.gz ZMQDWRCLWVUKPI-UHFFFAOYSA-N 1 3 357.542 3.340 20 0 FGADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562068299 505508950 /nfs/dbraw/zinc/50/89/50/505508950.db2.gz RCTOVLTVTJSHQL-CQSZACIVSA-N 1 3 373.372 3.175 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000564793070 505522086 /nfs/dbraw/zinc/52/20/86/505522086.db2.gz GEIRESNIVJEHBA-PXNSSMCTSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564793070 505522092 /nfs/dbraw/zinc/52/20/92/505522092.db2.gz GEIRESNIVJEHBA-PXNSSMCTSA-N 1 3 360.542 3.106 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564793070 505522096 /nfs/dbraw/zinc/52/20/96/505522096.db2.gz GEIRESNIVJEHBA-PXNSSMCTSA-N 1 3 360.542 3.106 20 0 FGADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000567713034 505545898 /nfs/dbraw/zinc/54/58/98/505545898.db2.gz BSGHNNRTGJWBTL-MRXNPFEDSA-N 1 3 362.493 3.103 20 0 FGADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000567713034 505545901 /nfs/dbraw/zinc/54/59/01/505545901.db2.gz BSGHNNRTGJWBTL-MRXNPFEDSA-N 1 3 362.493 3.103 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000567725669 505550329 /nfs/dbraw/zinc/55/03/29/505550329.db2.gz DXJRARZMLWXTPP-FPOVZHCZSA-N 1 3 360.542 3.294 20 0 FGADHO COc1cncc(/C=C/CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901055 505554054 /nfs/dbraw/zinc/55/40/54/505554054.db2.gz ZBZZHSVQBFCXFO-MWAUBTQZSA-N 1 3 373.541 3.315 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000567773823 505561845 /nfs/dbraw/zinc/56/18/45/505561845.db2.gz NWFDUZBWTDGGSX-UHFFFAOYSA-N 1 3 365.521 3.099 20 0 FGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000564938734 505561942 /nfs/dbraw/zinc/56/19/42/505561942.db2.gz SHCXGVQJODUBHH-OPYAIIAOSA-N 1 3 372.557 3.012 20 0 FGADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc2ccccc2c1 ZINC000582894732 506477185 /nfs/dbraw/zinc/47/71/85/506477185.db2.gz LZEUQJRQEYDIIA-RTWAWAEBSA-N 1 3 366.509 3.156 20 0 FGADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000589204720 506482893 /nfs/dbraw/zinc/48/28/93/506482893.db2.gz SVHLVPLXCQAZTB-LJQANCHMSA-N 1 3 362.562 3.055 20 0 FGADHO CCC(CC)(CNC(=O)N[C@@H]1CCCN(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593418 506569342 /nfs/dbraw/zinc/56/93/42/506569342.db2.gz GYSMHZCPCJAWJU-PKOBYXMFSA-N 1 3 360.546 3.289 20 0 FGADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000590125808 506743789 /nfs/dbraw/zinc/74/37/89/506743789.db2.gz NMHFLCXIUWLFRP-HXUWFJFHSA-N 1 3 362.558 3.306 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(CC)CC)cc1 ZINC000612981862 506849023 /nfs/dbraw/zinc/84/90/23/506849023.db2.gz GFVXKOYYQRHBIU-PMACEKPBSA-N 1 3 372.557 3.073 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789096 506943773 /nfs/dbraw/zinc/94/37/73/506943773.db2.gz XFEHLSIWARLKAU-VQTJNVASSA-N 1 3 374.573 3.489 20 0 FGADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)(C)C ZINC000604789097 506944526 /nfs/dbraw/zinc/94/45/26/506944526.db2.gz XFEHLSIWARLKAU-WOJBJXKFSA-N 1 3 374.573 3.489 20 0 FGADHO C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000600831933 507141702 /nfs/dbraw/zinc/14/17/02/507141702.db2.gz KMFRXCDNQHYQHJ-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591423167 507244864 /nfs/dbraw/zinc/24/48/64/507244864.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 1 3 373.541 3.154 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591423167 507244871 /nfs/dbraw/zinc/24/48/71/507244871.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 1 3 373.541 3.154 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000591538418 507281807 /nfs/dbraw/zinc/28/18/07/507281807.db2.gz RDRNEMBBZHUVOM-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000591538418 507281813 /nfs/dbraw/zinc/28/18/13/507281813.db2.gz RDRNEMBBZHUVOM-FPOVZHCZSA-N 1 3 372.557 3.243 20 0 FGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2ccccc21 ZINC000584523949 507393063 /nfs/dbraw/zinc/39/30/63/507393063.db2.gz PGJPUVSTEVJYRF-LZQZEXGQSA-N 1 3 363.440 3.133 20 0 FGADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCN(CCCc2ccccc2)CC1 ZINC000584776684 507500015 /nfs/dbraw/zinc/50/00/15/507500015.db2.gz GGGFGFKUXIVCEI-FRIKZZABSA-N 1 3 369.553 3.074 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227767 507659013 /nfs/dbraw/zinc/65/90/13/507659013.db2.gz NIHCVAGVAMLUDW-HXUWFJFHSA-N 1 3 372.557 3.168 20 0 FGADHO COc1cc(Br)c(CN[C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000089549451 700392103 /nfs/dbraw/zinc/39/21/03/700392103.db2.gz UKFNPFIGDCFUJM-LBPRGKRZSA-N 1 3 371.319 3.286 20 0 FGADHO COC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000186772654 712726129 /nfs/dbraw/zinc/72/61/29/712726129.db2.gz DZTNYSNNQLIFCR-MRXNPFEDSA-N 1 3 351.535 3.240 20 0 FGADHO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000187748336 712753417 /nfs/dbraw/zinc/75/34/17/712753417.db2.gz FQPBMIFEMGCNFK-UHFFFAOYSA-N 1 3 351.535 3.406 20 0 FGADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000246581910 713626725 /nfs/dbraw/zinc/62/67/25/713626725.db2.gz SEWJCYSOFRLGNC-KZNAEPCWSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246596110 713626970 /nfs/dbraw/zinc/62/69/70/713626970.db2.gz GBXKDZWRSGZRPS-ZWKOTPCHSA-N 1 3 351.535 3.194 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080405 714169399 /nfs/dbraw/zinc/16/93/99/714169399.db2.gz CVEJKPCATUYZKV-ZWKOTPCHSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000522080405 714169401 /nfs/dbraw/zinc/16/94/01/714169401.db2.gz CVEJKPCATUYZKV-ZWKOTPCHSA-N 1 3 364.559 3.009 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(Cc3nc4c(s3)CCCC4)CC2)CC1 ZINC000643295890 718020463 /nfs/dbraw/zinc/02/04/63/718020463.db2.gz JOUKNROLOFKUNF-UHFFFAOYSA-N 1 3 362.587 3.014 20 0 FGADHO CCN1CCC([N@H+]2CCCN(Cc3nc4c(s3)CCCC4)CC2)CC1 ZINC000643295890 718020467 /nfs/dbraw/zinc/02/04/67/718020467.db2.gz JOUKNROLOFKUNF-UHFFFAOYSA-N 1 3 362.587 3.014 20 0 FGADHO CCCc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000621333515 714982003 /nfs/dbraw/zinc/98/20/03/714982003.db2.gz GYMRDEQJEGDHBP-UHFFFAOYSA-N 1 3 359.539 3.282 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624096061 715471720 /nfs/dbraw/zinc/47/17/20/715471720.db2.gz SFRJGQNJUVCCFG-YTQUADARSA-N 1 3 351.485 3.216 20 0 FGADHO CC(C)[NH+]1CCN(CCCNC2(c3c(F)cccc3F)CCC2)CC1 ZINC000626179208 715865004 /nfs/dbraw/zinc/86/50/04/715865004.db2.gz ZWXGWSMJXNQEDD-UHFFFAOYSA-N 1 3 351.485 3.350 20 0 FGADHO C[NH+]1CCC(C)(CNCc2ccccc2I)CC1 ZINC000779985206 724439577 /nfs/dbraw/zinc/43/95/77/724439577.db2.gz ADVKVHBONNOLDW-UHFFFAOYSA-N 1 3 358.267 3.113 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CCOCC1 ZINC000629521456 716302966 /nfs/dbraw/zinc/30/29/66/716302966.db2.gz QQTCHVSKZFKITM-MRXNPFEDSA-N 1 3 353.304 3.314 20 0 FGADHO CO[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000638529810 717454648 /nfs/dbraw/zinc/45/46/48/717454648.db2.gz FLUMVLDTYSUQJI-AZUAARDMSA-N 1 3 366.933 3.193 20 0 FGADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638654789 717472628 /nfs/dbraw/zinc/47/26/28/717472628.db2.gz GCEDGLSRRBWSGK-KDOFPFPSSA-N 1 3 354.922 3.241 20 0 FGADHO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000644770935 718152579 /nfs/dbraw/zinc/15/25/79/718152579.db2.gz ZQKYSEOYWSQQEY-SUMWQHHRSA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CNC[C@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551102 718367190 /nfs/dbraw/zinc/36/71/90/718367190.db2.gz YALFDANVQZATBP-KBXCAEBGSA-N 1 3 355.448 3.257 20 0 FGADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000647551102 718367191 /nfs/dbraw/zinc/36/71/91/718367191.db2.gz YALFDANVQZATBP-KBXCAEBGSA-N 1 3 355.448 3.257 20 0 FGADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719738 719329204 /nfs/dbraw/zinc/32/92/04/719329204.db2.gz LHBZOWIVUNNUMZ-OALUTQOASA-N 1 3 352.906 3.261 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143685 719762668 /nfs/dbraw/zinc/76/26/68/719762668.db2.gz ZTFCLLVROFUOGQ-ZWKOTPCHSA-N 1 3 357.523 3.185 20 0 FGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143685 719762675 /nfs/dbraw/zinc/76/26/75/719762675.db2.gz ZTFCLLVROFUOGQ-ZWKOTPCHSA-N 1 3 357.523 3.185 20 0 FGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658308246 719783816 /nfs/dbraw/zinc/78/38/16/719783816.db2.gz CVVXDHWYALHUAN-QFUCXCTJSA-N 1 3 352.563 3.187 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338742 720033089 /nfs/dbraw/zinc/03/30/89/720033089.db2.gz LWZJAZDUXPHLBE-IRXDYDNUSA-N 1 3 366.575 3.303 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338742 720033092 /nfs/dbraw/zinc/03/30/92/720033092.db2.gz LWZJAZDUXPHLBE-IRXDYDNUSA-N 1 3 366.575 3.303 20 0 FGADHO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092635 /nfs/dbraw/zinc/09/26/35/720092635.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 1 3 366.933 3.196 20 0 FGADHO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092640 /nfs/dbraw/zinc/09/26/40/720092640.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 1 3 366.933 3.196 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474778 720518653 /nfs/dbraw/zinc/51/86/53/720518653.db2.gz QKHJTXVIGGEBIP-YOEHRIQHSA-N 1 3 359.436 3.327 20 0 FGADHO Brc1ccc(-c2c[nH]c(CN[C@@H]3CC34CC[NH2+]CC4)n2)cc1 ZINC000666954290 721005116 /nfs/dbraw/zinc/00/51/16/721005116.db2.gz UBPDSCKXHQXLPG-OAHLLOKOSA-N 1 3 361.287 3.071 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789131 722409904 /nfs/dbraw/zinc/40/99/04/722409904.db2.gz SZKMREOUBPMTTN-OKZBNKHCSA-N 1 3 353.551 3.486 20 0 FGADHO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700802283 722409926 /nfs/dbraw/zinc/40/99/26/722409926.db2.gz HJQNIIVBGHLZJY-SQNIBIBYSA-N 1 3 353.551 3.486 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505176 723518236 /nfs/dbraw/zinc/51/82/36/723518236.db2.gz UMKSHZPMFYNLHD-MRXNPFEDSA-N 1 3 360.420 3.471 20 0 FGADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(C)c1OC(F)F ZINC000799346908 724015972 /nfs/dbraw/zinc/01/59/72/724015972.db2.gz TYHKFKZZIDBNTP-UHFFFAOYSA-N 1 3 355.473 3.020 20 0 FGADHO Cc1nn(C)c2nc(Cl)c(CN3CC[C@@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755557 725265437 /nfs/dbraw/zinc/26/54/37/725265437.db2.gz KLOJVLPMTHOLBU-OAHLLOKOSA-N 1 3 361.921 3.094 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505148 725370536 /nfs/dbraw/zinc/37/05/36/725370536.db2.gz GVLJOQLCTKBMLR-APWZRJJASA-N 1 3 369.912 3.271 20 0 FGADHO CN(C)C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505148 725370539 /nfs/dbraw/zinc/37/05/39/725370539.db2.gz GVLJOQLCTKBMLR-APWZRJJASA-N 1 3 369.912 3.271 20 0 FGADHO CN(CCc1ccc(F)cc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000811506801 725370683 /nfs/dbraw/zinc/37/06/83/725370683.db2.gz GGPMYPQRQUZOML-SFHVURJKSA-N 1 3 353.913 3.122 20 0 FGADHO CN(CCc1ccc(F)cc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000811506801 725370685 /nfs/dbraw/zinc/37/06/85/725370685.db2.gz GGPMYPQRQUZOML-SFHVURJKSA-N 1 3 353.913 3.122 20 0 FGADHO CS(=O)(=O)CC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000815571285 727084520 /nfs/dbraw/zinc/08/45/20/727084520.db2.gz ZSKJWHNWXGRIID-UHFFFAOYSA-N 1 3 370.603 3.224 20 0 FGADHO C[NH+](C)CC[C@H](NC[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC000819082298 727345706 /nfs/dbraw/zinc/34/57/06/727345706.db2.gz PGXMZFHBUJDQTM-CVEARBPZSA-N 1 3 357.336 3.439 20 0 FGADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819278886 727363936 /nfs/dbraw/zinc/36/39/36/727363936.db2.gz SPMGMNFWNNZZGU-DQPZFDDXSA-N 1 3 358.404 3.225 20 0 FGADHO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000841079314 730208656 /nfs/dbraw/zinc/20/86/56/730208656.db2.gz LQFZAKMKSVRNHC-KRWDZBQOSA-N 1 3 362.880 3.264 20 0 FGADHO Ic1ccccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126432 730589057 /nfs/dbraw/zinc/58/90/57/730589057.db2.gz REXLDUKNALCKDN-KGLIPLIRSA-N 1 3 370.278 3.113 20 0 FGADHO CC(C)[NH+]1CCC(NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862263670 732801333 /nfs/dbraw/zinc/80/13/33/732801333.db2.gz LRROTJBTAKUNSS-HNNXBMFYSA-N 1 3 361.477 3.094 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475264 733209215 /nfs/dbraw/zinc/20/92/15/733209215.db2.gz JDCOUVPBAMBISJ-MAUKXSAKSA-N 1 3 355.511 3.203 20 0 FGADHO Cn1ncc2cc(CNC[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475264 733209218 /nfs/dbraw/zinc/20/92/18/733209218.db2.gz JDCOUVPBAMBISJ-MAUKXSAKSA-N 1 3 355.511 3.203 20 0 FGADHO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CCCCCC[NH3+] ZINC000872155734 735597059 /nfs/dbraw/zinc/59/70/59/735597059.db2.gz VCQGRQZXTFOERZ-HNNXBMFYSA-N 1 3 362.543 3.094 20 0 FGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902434969 743743662 /nfs/dbraw/zinc/74/36/62/743743662.db2.gz QVQXOQZMASTPLW-FXQQTDPRSA-N 1 3 362.505 3.090 20 0 FGADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1C(F)F ZINC000904388965 743951043 /nfs/dbraw/zinc/95/10/43/743951043.db2.gz QUSLUBHSAHSJAJ-IYBDPMFKSA-N 1 3 353.432 3.164 20 0 FGADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1C(F)F ZINC000904388965 743951046 /nfs/dbraw/zinc/95/10/46/743951046.db2.gz QUSLUBHSAHSJAJ-IYBDPMFKSA-N 1 3 353.432 3.164 20 0 FGADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1C(F)F ZINC000904388965 743951048 /nfs/dbraw/zinc/95/10/48/743951048.db2.gz QUSLUBHSAHSJAJ-IYBDPMFKSA-N 1 3 353.432 3.164 20 0 FGADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000905127119 743994243 /nfs/dbraw/zinc/99/42/43/743994243.db2.gz IZGCXQMVQLFMMN-UGSOOPFHSA-N 1 3 373.324 3.117 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130991 743995071 /nfs/dbraw/zinc/99/50/71/743995071.db2.gz BJXVRTRHIACXNV-ZHALLVOQSA-N 1 3 366.571 3.167 20 0 FGADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130991 743995073 /nfs/dbraw/zinc/99/50/73/743995073.db2.gz BJXVRTRHIACXNV-ZHALLVOQSA-N 1 3 366.571 3.167 20 0 FGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389124 759109061 /nfs/dbraw/zinc/10/90/61/759109061.db2.gz TULQCVQQAPDDND-NMVRNDPTSA-N 1 3 373.324 3.245 20 0 FGADHO [NH3+]CC[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483735 759129598 /nfs/dbraw/zinc/12/95/98/759129598.db2.gz QQPNLNFFEXQDEE-LBPRGKRZSA-N 1 3 350.260 3.275 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925531425 759501218 /nfs/dbraw/zinc/50/12/18/759501218.db2.gz ZEICNWRCYWBKGC-KGLIPLIRSA-N 1 3 353.894 3.173 20 0 FGADHO CCc1nc(CN2CCC(CN[C@@H]3CC[NH2+]C34CCCC4)CC2)cs1 ZINC000925573829 759507232 /nfs/dbraw/zinc/50/72/32/759507232.db2.gz PYQYJNLSFCKTCW-GOSISDBHSA-N 1 3 362.587 3.182 20 0 FGADHO CC(C)[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1Cl ZINC000925853155 759559432 /nfs/dbraw/zinc/55/94/32/759559432.db2.gz FIFGDSXROZRTDB-RHSMWYFYSA-N 1 3 350.890 3.312 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3c(C)cccc3Cl)C2)CC[N@@H+]1C ZINC000968738542 762841739 /nfs/dbraw/zinc/84/17/39/762841739.db2.gz ZUNXIJGKFDLWMG-JTDSTZFVSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC000968738542 762841745 /nfs/dbraw/zinc/84/17/45/762841745.db2.gz ZUNXIJGKFDLWMG-JTDSTZFVSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971568164 762914083 /nfs/dbraw/zinc/91/40/83/762914083.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 1 3 363.933 3.103 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971568164 762914086 /nfs/dbraw/zinc/91/40/86/762914086.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 1 3 363.933 3.103 20 0 FGADHO Cc1cc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562833 /nfs/dbraw/zinc/56/28/33/764562833.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 1 3 361.555 3.010 20 0 FGADHO Cc1cc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562837 /nfs/dbraw/zinc/56/28/37/764562837.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 1 3 361.555 3.010 20 0 FGADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000998792040 765124404 /nfs/dbraw/zinc/12/44/04/765124404.db2.gz RALWIOYUXXCVQK-AGERRDQYSA-N 1 3 363.933 3.068 20 0 FGADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000998792040 765124407 /nfs/dbraw/zinc/12/44/07/765124407.db2.gz RALWIOYUXXCVQK-AGERRDQYSA-N 1 3 363.933 3.068 20 0 FGADHO Cc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188430 765144759 /nfs/dbraw/zinc/14/47/59/765144759.db2.gz AMVFPWNPWUZNCE-BPQIPLTHSA-N 1 3 363.933 3.069 20 0 FGADHO Cc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188430 765144763 /nfs/dbraw/zinc/14/47/63/765144763.db2.gz AMVFPWNPWUZNCE-BPQIPLTHSA-N 1 3 363.933 3.069 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001033098070 766207451 /nfs/dbraw/zinc/20/74/51/766207451.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 1 3 363.571 3.128 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001033098070 766207456 /nfs/dbraw/zinc/20/74/56/766207456.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 1 3 363.571 3.128 20 0 FGADHO C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000293555311 257380040 /nfs/dbraw/zinc/38/00/40/257380040.db2.gz FLQSRXSSCODFFR-QMMLZNLJSA-N 1 3 351.494 3.103 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000570823040 505588883 /nfs/dbraw/zinc/58/88/83/505588883.db2.gz DGUXIMIAFZBERM-FQEVSTJZSA-N 1 3 369.509 3.000 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000570823040 505588884 /nfs/dbraw/zinc/58/88/84/505588884.db2.gz DGUXIMIAFZBERM-FQEVSTJZSA-N 1 3 369.509 3.000 20 0 FGADHO c1nc(C2CCCCC2)sc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000571027681 505636708 /nfs/dbraw/zinc/63/67/08/505636708.db2.gz DPYVQRPUNUKROF-MSOLQXFVSA-N 1 3 361.555 3.391 20 0 FGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000573902457 505648032 /nfs/dbraw/zinc/64/80/32/505648032.db2.gz VXTSTAGVBQPCSI-UYAOXDASSA-N 1 3 374.916 3.244 20 0 FGADHO C[C@@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952999 505651668 /nfs/dbraw/zinc/65/16/68/505651668.db2.gz YTEHXAMIGVMPRK-YOEHRIQHSA-N 1 3 371.447 3.128 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1 ZINC000568282167 505658494 /nfs/dbraw/zinc/65/84/94/505658494.db2.gz PXXZVMSXHZWWMP-OAQYLSRUSA-N 1 3 366.509 3.234 20 0 FGADHO C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145425 505672533 /nfs/dbraw/zinc/67/25/33/505672533.db2.gz CRDGWYZHUTYJNR-HNNXBMFYSA-N 1 3 357.464 3.425 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860579 493787402 /nfs/dbraw/zinc/78/74/02/493787402.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860579 493787405 /nfs/dbraw/zinc/78/74/05/493787405.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 1 3 367.921 3.483 20 0 FGADHO C[C@H](C1CC1)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000068299122 493792162 /nfs/dbraw/zinc/79/21/62/493792162.db2.gz PJMFNNMIGFMVJY-QGZVFWFLSA-N 1 3 355.526 3.030 20 0 FGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050801899 493935498 /nfs/dbraw/zinc/93/54/98/493935498.db2.gz BFPNHHFGMYQSSQ-UHFFFAOYSA-N 1 3 370.324 3.282 20 0 FGADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000069729264 494003101 /nfs/dbraw/zinc/00/31/01/494003101.db2.gz XXSANSYRMJNZAZ-QGZVFWFLSA-N 1 3 364.559 3.011 20 0 FGADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000069729264 494003103 /nfs/dbraw/zinc/00/31/03/494003103.db2.gz XXSANSYRMJNZAZ-QGZVFWFLSA-N 1 3 364.559 3.011 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203507 494032618 /nfs/dbraw/zinc/03/26/18/494032618.db2.gz KUFOCUZCLVUHMT-KRWDZBQOSA-N 1 3 371.529 3.058 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203507 494032620 /nfs/dbraw/zinc/03/26/20/494032620.db2.gz KUFOCUZCLVUHMT-KRWDZBQOSA-N 1 3 371.529 3.058 20 0 FGADHO OCC[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000077468204 494088553 /nfs/dbraw/zinc/08/85/53/494088553.db2.gz WSHTWVLJAKRJNF-JOCHJYFZSA-N 1 3 354.494 3.375 20 0 FGADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCN1CCN(C)CC1 ZINC000568473071 505702434 /nfs/dbraw/zinc/70/24/34/505702434.db2.gz UOLYWAUKAWOVMT-OAHLLOKOSA-N 1 3 374.356 3.378 20 0 FGADHO CN(CCNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000065542409 494212144 /nfs/dbraw/zinc/21/21/44/494212144.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 1 3 360.546 3.072 20 0 FGADHO CN(CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000065542409 494212147 /nfs/dbraw/zinc/21/21/47/494212147.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 1 3 360.546 3.072 20 0 FGADHO CC(C)[NH+](CCCNC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000072731758 494243827 /nfs/dbraw/zinc/24/38/27/494243827.db2.gz VTBJRUOZJCGPFF-UHFFFAOYSA-N 1 3 374.573 3.459 20 0 FGADHO COc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000072799675 494252193 /nfs/dbraw/zinc/25/21/93/494252193.db2.gz GFQJHLGORVIEQI-NRFANRHFSA-N 1 3 373.541 3.069 20 0 FGADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000066175950 494284071 /nfs/dbraw/zinc/28/40/71/494284071.db2.gz SBWWPQPOWHXSNI-NRFANRHFSA-N 1 3 370.541 3.052 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444711 494308003 /nfs/dbraw/zinc/30/80/03/494308003.db2.gz IYAWKQOBWZUCRK-LJQANCHMSA-N 1 3 374.529 3.077 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444711 494308007 /nfs/dbraw/zinc/30/80/07/494308007.db2.gz IYAWKQOBWZUCRK-LJQANCHMSA-N 1 3 374.529 3.077 20 0 FGADHO [NH3+]CCC1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000574210340 505721220 /nfs/dbraw/zinc/72/12/20/505721220.db2.gz IOYGCZOSEQKQOC-UHFFFAOYSA-N 1 3 361.493 3.495 20 0 FGADHO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000090038850 494432640 /nfs/dbraw/zinc/43/26/40/494432640.db2.gz JUFLCFHXZQSSOT-LJQANCHMSA-N 1 3 367.537 3.397 20 0 FGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960827 494446060 /nfs/dbraw/zinc/44/60/60/494446060.db2.gz ZZMHPFXPXXJWCY-IBGZPJMESA-N 1 3 359.558 3.477 20 0 FGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960827 494446064 /nfs/dbraw/zinc/44/60/64/494446064.db2.gz ZZMHPFXPXXJWCY-IBGZPJMESA-N 1 3 359.558 3.477 20 0 FGADHO CN1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000073923426 494450443 /nfs/dbraw/zinc/45/04/43/494450443.db2.gz WPEGGXWABCHCID-PKOBYXMFSA-N 1 3 363.933 3.181 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000090523958 494477833 /nfs/dbraw/zinc/47/78/33/494477833.db2.gz UABMWBCCMGLZKI-HSQYWUDLSA-N 1 3 368.525 3.291 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074299758 494513934 /nfs/dbraw/zinc/51/39/34/494513934.db2.gz BDNNZTPQHRGFQA-UIFIKXQLSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000074299758 494513937 /nfs/dbraw/zinc/51/39/37/494513937.db2.gz BDNNZTPQHRGFQA-UIFIKXQLSA-N 1 3 370.541 3.090 20 0 FGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000056523097 494519828 /nfs/dbraw/zinc/51/98/28/494519828.db2.gz NVYTWABNCQHYCC-HXUWFJFHSA-N 1 3 362.558 3.388 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)N(CC)Cc2ccc(CN(C)C)cc2)CC1 ZINC000067414898 494535876 /nfs/dbraw/zinc/53/58/76/494535876.db2.gz MPVQWHWEBNOJKS-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303471 505727901 /nfs/dbraw/zinc/72/79/01/505727901.db2.gz BFNJKAOVUVCYDE-NRFANRHFSA-N 1 3 369.553 3.376 20 0 FGADHO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000074714757 494582337 /nfs/dbraw/zinc/58/23/37/494582337.db2.gz DZKIWAOPTJYZLY-NRFANRHFSA-N 1 3 372.557 3.024 20 0 FGADHO COCCc1nc(C)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000092742012 494736477 /nfs/dbraw/zinc/73/64/77/494736477.db2.gz SDJNEYHWBXSKAA-OAGGEKHMSA-N 1 3 369.575 3.180 20 0 FGADHO C[C@@H]1CCCCN1C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821545 494764042 /nfs/dbraw/zinc/76/40/42/494764042.db2.gz OVDDJOGWXNWGFL-GOSISDBHSA-N 1 3 358.530 3.021 20 0 FGADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000126546143 494786152 /nfs/dbraw/zinc/78/61/52/494786152.db2.gz RJQIKYFVANESDB-IBGZPJMESA-N 1 3 365.949 3.479 20 0 FGADHO CCCC[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116551182 494813235 /nfs/dbraw/zinc/81/32/35/494813235.db2.gz MKCBETNCGFGHOH-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116551182 494813239 /nfs/dbraw/zinc/81/32/39/494813239.db2.gz MKCBETNCGFGHOH-SFHVURJKSA-N 1 3 360.546 3.243 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000093088145 494824586 /nfs/dbraw/zinc/82/45/86/494824586.db2.gz UTZLVUOXZOAWTG-UHFFFAOYSA-N 1 3 357.542 3.231 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132534136 494888995 /nfs/dbraw/zinc/88/89/95/494888995.db2.gz YZXUAYXEENPIAB-WMLDXEAASA-N 1 3 370.463 3.093 20 0 FGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392830 505748015 /nfs/dbraw/zinc/74/80/15/505748015.db2.gz YYBBTMBGCWWUIT-GPJHCHHRSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392830 505748019 /nfs/dbraw/zinc/74/80/19/505748019.db2.gz YYBBTMBGCWWUIT-GPJHCHHRSA-N 1 3 372.553 3.462 20 0 FGADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392830 505748023 /nfs/dbraw/zinc/74/80/23/505748023.db2.gz YYBBTMBGCWWUIT-GPJHCHHRSA-N 1 3 372.553 3.462 20 0 FGADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000109787471 494918361 /nfs/dbraw/zinc/91/83/61/494918361.db2.gz SWJDNDZXUVZFSA-UHFFFAOYSA-N 1 3 367.921 3.483 20 0 FGADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000128155285 495052945 /nfs/dbraw/zinc/05/29/45/495052945.db2.gz JXWJLAULJNZJFP-UHFFFAOYSA-N 1 3 369.484 3.153 20 0 FGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214064 495062044 /nfs/dbraw/zinc/06/20/44/495062044.db2.gz HHTAAFATVPADDF-BLLLJJGKSA-N 1 3 370.324 3.158 20 0 FGADHO Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455381 505763863 /nfs/dbraw/zinc/76/38/63/505763863.db2.gz DNHAFEXSLVIMBP-KRWDZBQOSA-N 1 3 351.560 3.069 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119421198 495163493 /nfs/dbraw/zinc/16/34/93/495163493.db2.gz ZGIWLDGWUXWFFY-KBPBESRZSA-N 1 3 365.905 3.140 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119421198 495163497 /nfs/dbraw/zinc/16/34/97/495163497.db2.gz ZGIWLDGWUXWFFY-KBPBESRZSA-N 1 3 365.905 3.140 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000123633231 495163703 /nfs/dbraw/zinc/16/37/03/495163703.db2.gz BCEHNENLPBYUSN-ZNLUXHQJSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@@H]1C[C@H](NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633231 495163708 /nfs/dbraw/zinc/16/37/08/495163708.db2.gz BCEHNENLPBYUSN-ZNLUXHQJSA-N 1 3 354.494 3.371 20 0 FGADHO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000129002015 495181049 /nfs/dbraw/zinc/18/10/49/495181049.db2.gz ZFVQHNVNEKRDDY-SFHVURJKSA-N 1 3 361.530 3.070 20 0 FGADHO C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000129002015 495181052 /nfs/dbraw/zinc/18/10/52/495181052.db2.gz ZFVQHNVNEKRDDY-SFHVURJKSA-N 1 3 361.530 3.070 20 0 FGADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000134652588 495181907 /nfs/dbraw/zinc/18/19/07/495181907.db2.gz ZVYVLHLFCNIPQE-RXVVDRJESA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000119666602 495213250 /nfs/dbraw/zinc/21/32/50/495213250.db2.gz JRFLGPBWJWQDOW-MRXNPFEDSA-N 1 3 354.498 3.277 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119760040 495235191 /nfs/dbraw/zinc/23/51/91/495235191.db2.gz SBBPGSYGNYDTRT-IRLDBZIGSA-N 1 3 365.521 3.447 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](N)c1ccccc1 ZINC000119760040 495235193 /nfs/dbraw/zinc/23/51/93/495235193.db2.gz SBBPGSYGNYDTRT-IRLDBZIGSA-N 1 3 365.521 3.447 20 0 FGADHO CN(CCC(=O)N(C)c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000135111619 495251978 /nfs/dbraw/zinc/25/19/78/495251978.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 1 3 365.521 3.493 20 0 FGADHO CN(CCC(=O)N(C)c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000135111619 495251983 /nfs/dbraw/zinc/25/19/83/495251983.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 1 3 365.521 3.493 20 0 FGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000113364808 495299849 /nfs/dbraw/zinc/29/98/49/495299849.db2.gz CIUGHQPAGCGQMV-NRFANRHFSA-N 1 3 372.557 3.215 20 0 FGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000113364808 495299853 /nfs/dbraw/zinc/29/98/53/495299853.db2.gz CIUGHQPAGCGQMV-NRFANRHFSA-N 1 3 372.557 3.215 20 0 FGADHO CC1CCN([C@H](CNC(=O)NCC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000105173629 495342926 /nfs/dbraw/zinc/34/29/26/495342926.db2.gz KEMHCLAWNFVVKF-OAQYLSRUSA-N 1 3 372.557 3.101 20 0 FGADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)cc1 ZINC000125097253 495390643 /nfs/dbraw/zinc/39/06/43/495390643.db2.gz NXEHSNNKFZLKHW-ICSRJNTNSA-N 1 3 358.530 3.313 20 0 FGADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)cc1 ZINC000125097253 495390646 /nfs/dbraw/zinc/39/06/46/495390646.db2.gz NXEHSNNKFZLKHW-ICSRJNTNSA-N 1 3 358.530 3.313 20 0 FGADHO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(OCCN(C)C)cc1 ZINC000130553565 495410042 /nfs/dbraw/zinc/41/00/42/495410042.db2.gz UJOLGUUICKJUCZ-QGZVFWFLSA-N 1 3 352.482 3.168 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000114938304 495445078 /nfs/dbraw/zinc/44/50/78/495445078.db2.gz YNWKBFMLTGTBTF-UHFFFAOYSA-N 1 3 374.573 3.331 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125566223 495463626 /nfs/dbraw/zinc/46/36/26/495463626.db2.gz CAFINOLSIBHILU-LSDHHAIUSA-N 1 3 352.910 3.164 20 0 FGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)C[NH+]1CCCCC1 ZINC000125566223 495463630 /nfs/dbraw/zinc/46/36/30/495463630.db2.gz CAFINOLSIBHILU-LSDHHAIUSA-N 1 3 352.910 3.164 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120939109 495489152 /nfs/dbraw/zinc/48/91/52/495489152.db2.gz AYFXQTPFDNXAIW-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000120939109 495489155 /nfs/dbraw/zinc/48/91/55/495489155.db2.gz AYFXQTPFDNXAIW-CABCVRRESA-N 1 3 367.921 3.387 20 0 FGADHO O=C(CN(CC1CC1)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000115562421 495517857 /nfs/dbraw/zinc/51/78/57/495517857.db2.gz SRJCUQVEBDVUFG-UHFFFAOYSA-N 1 3 355.526 3.021 20 0 FGADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125921972 495519344 /nfs/dbraw/zinc/51/93/44/495519344.db2.gz ATXOWAFSTWXXDE-DYVFJYSZSA-N 1 3 358.523 3.246 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182374087 495536923 /nfs/dbraw/zinc/53/69/23/495536923.db2.gz MHUNPQIFYCLXTF-PXNSSMCTSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374087 495536927 /nfs/dbraw/zinc/53/69/27/495536927.db2.gz MHUNPQIFYCLXTF-PXNSSMCTSA-N 1 3 372.557 3.200 20 0 FGADHO O=C([C@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000580569167 505788021 /nfs/dbraw/zinc/78/80/21/505788021.db2.gz CAGDHRGXVOFXQE-IFMALSPDSA-N 1 3 355.526 3.033 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000158658857 495560975 /nfs/dbraw/zinc/56/09/75/495560975.db2.gz VJUIZTREECAMDH-NRFANRHFSA-N 1 3 372.557 3.387 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154330620 495583615 /nfs/dbraw/zinc/58/36/15/495583615.db2.gz DVQCFSUZSFSUBQ-SFHVURJKSA-N 1 3 371.447 3.190 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000154388832 495601373 /nfs/dbraw/zinc/60/13/73/495601373.db2.gz KODGBDSXIGYJRS-IAGOWNOFSA-N 1 3 360.571 3.406 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154410776 495608294 /nfs/dbraw/zinc/60/82/94/495608294.db2.gz BPVRCUVFJNLKNJ-QGZVFWFLSA-N 1 3 355.473 3.356 20 0 FGADHO C[C@@H]1C[C@@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817831 495715145 /nfs/dbraw/zinc/71/51/45/495715145.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 1 3 352.906 3.458 20 0 FGADHO C[C@@H]1C[C@@H](N(C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817831 495715150 /nfs/dbraw/zinc/71/51/50/495715150.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 1 3 352.906 3.458 20 0 FGADHO COC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000173911242 495744473 /nfs/dbraw/zinc/74/44/73/495744473.db2.gz WIJUOPLQVFVKBS-LJQANCHMSA-N 1 3 353.510 3.133 20 0 FGADHO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000577847183 505803917 /nfs/dbraw/zinc/80/39/17/505803917.db2.gz ZSZDVIOSQMDUFZ-WSTZPKSXSA-N 1 3 363.933 3.139 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155064071 495821962 /nfs/dbraw/zinc/82/19/62/495821962.db2.gz BATCTUAGZLKHLL-SQNIBIBYSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155064071 495821964 /nfs/dbraw/zinc/82/19/64/495821964.db2.gz BATCTUAGZLKHLL-SQNIBIBYSA-N 1 3 353.576 3.077 20 0 FGADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155064071 495821967 /nfs/dbraw/zinc/82/19/67/495821967.db2.gz BATCTUAGZLKHLL-SQNIBIBYSA-N 1 3 353.576 3.077 20 0 FGADHO CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155070136 495823345 /nfs/dbraw/zinc/82/33/45/495823345.db2.gz HZWNWDRQKBWUMF-CTNGQTDRSA-N 1 3 374.573 3.413 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000577877984 505810285 /nfs/dbraw/zinc/81/02/85/505810285.db2.gz ZIQLAYLLTFQEPL-SFHVURJKSA-N 1 3 365.949 3.222 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000571768761 505810831 /nfs/dbraw/zinc/81/08/31/505810831.db2.gz NNUZOZQFEOXFIH-FDFHNCONSA-N 1 3 371.569 3.429 20 0 FGADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000571768764 505811015 /nfs/dbraw/zinc/81/10/15/505811015.db2.gz NNUZOZQFEOXFIH-YPAWHYETSA-N 1 3 371.569 3.429 20 0 FGADHO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000177233344 495987647 /nfs/dbraw/zinc/98/76/47/495987647.db2.gz IALNFOHUMFITSH-GOSISDBHSA-N 1 3 353.510 3.293 20 0 FGADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cc(Cl)ccc1OC ZINC000155593897 496006555 /nfs/dbraw/zinc/00/65/55/496006555.db2.gz KDNOHESRHFOWSU-YJBOKZPZSA-N 1 3 353.938 3.415 20 0 FGADHO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000155624127 496016041 /nfs/dbraw/zinc/01/60/41/496016041.db2.gz SIDROLQHOWLYAP-HOTGVXAUSA-N 1 3 353.938 3.415 20 0 FGADHO CC(C)OCC[C@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577947568 505825135 /nfs/dbraw/zinc/82/51/35/505825135.db2.gz LHROGDBBMWZCCE-JQVVWYNYSA-N 1 3 362.558 3.430 20 0 FGADHO CC(C)OCC[C@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000577947568 505825139 /nfs/dbraw/zinc/82/51/39/505825139.db2.gz LHROGDBBMWZCCE-JQVVWYNYSA-N 1 3 362.558 3.430 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000577947595 505825376 /nfs/dbraw/zinc/82/53/76/505825376.db2.gz NUMOSPFMOMAXMS-UNWVZKJWSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000577947595 505825380 /nfs/dbraw/zinc/82/53/80/505825380.db2.gz NUMOSPFMOMAXMS-UNWVZKJWSA-N 1 3 352.522 3.305 20 0 FGADHO C[C@H](c1ccccc1)[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000577947595 505825384 /nfs/dbraw/zinc/82/53/84/505825384.db2.gz NUMOSPFMOMAXMS-UNWVZKJWSA-N 1 3 352.522 3.305 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccsc1 ZINC000175075392 496238312 /nfs/dbraw/zinc/23/83/12/496238312.db2.gz IDZKZBIBZAUNMV-ZWKOTPCHSA-N 1 3 366.575 3.257 20 0 FGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178034305 496297471 /nfs/dbraw/zinc/29/74/71/496297471.db2.gz OZGMQNCGDWPLDW-UONOGXRCSA-N 1 3 372.326 3.265 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303498 496331101 /nfs/dbraw/zinc/33/11/01/496331101.db2.gz VBGDDDSDUMFXMN-RXVVDRJESA-N 1 3 372.557 3.212 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000156900111 496359942 /nfs/dbraw/zinc/35/99/42/496359942.db2.gz XPCAWXYNIATHMP-DQVLVPHSSA-N 1 3 374.573 3.271 20 0 FGADHO C[C@@H](N[C@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181349002 496363372 /nfs/dbraw/zinc/36/33/72/496363372.db2.gz XVGIDGCSTIRONA-DBXWQHBBSA-N 1 3 351.494 3.116 20 0 FGADHO C[C@@H](N[C@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181349002 496363376 /nfs/dbraw/zinc/36/33/76/496363376.db2.gz XVGIDGCSTIRONA-DBXWQHBBSA-N 1 3 351.494 3.116 20 0 FGADHO CN(CCCN(C)Cc1c(Cl)cccc1N1CCCC1)CC[NH+](C)C ZINC000580801535 505840685 /nfs/dbraw/zinc/84/06/85/505840685.db2.gz NRTALMKOSASPJZ-UHFFFAOYSA-N 1 3 366.981 3.256 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000172722957 496403143 /nfs/dbraw/zinc/40/31/43/496403143.db2.gz UTKVENWVTVMTTA-KRWDZBQOSA-N 1 3 363.571 3.197 20 0 FGADHO CCCN1CCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972328 496442819 /nfs/dbraw/zinc/44/28/19/496442819.db2.gz MABLCAGJTBNZRU-FQEVSTJZSA-N 1 3 358.530 3.030 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000187455268 496448677 /nfs/dbraw/zinc/44/86/77/496448677.db2.gz NYNFNWLSNRHYEG-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CN(C)Cc1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000187455268 496448686 /nfs/dbraw/zinc/44/86/86/496448686.db2.gz NYNFNWLSNRHYEG-JOCHJYFZSA-N 1 3 365.521 3.389 20 0 FGADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)CC1 ZINC000175588922 496453596 /nfs/dbraw/zinc/45/35/96/496453596.db2.gz PIAGCXQTBQDHSY-LJQANCHMSA-N 1 3 374.573 3.069 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000175641975 496479372 /nfs/dbraw/zinc/47/93/72/496479372.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000175641975 496479376 /nfs/dbraw/zinc/47/93/76/496479376.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000175641975 496479382 /nfs/dbraw/zinc/47/93/82/496479382.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000175641975 496479389 /nfs/dbraw/zinc/47/93/89/496479389.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 1 3 372.557 3.164 20 0 FGADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CC(C)(C)c3ccccc32)c1 ZINC000178531630 496489524 /nfs/dbraw/zinc/48/95/24/496489524.db2.gz FSODEQBQSYNANE-NRFANRHFSA-N 1 3 365.521 3.490 20 0 FGADHO CC(C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000172929637 496493585 /nfs/dbraw/zinc/49/35/85/496493585.db2.gz MKFIAZYBPOGLBM-NRFANRHFSA-N 1 3 357.542 3.101 20 0 FGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163297009 496494930 /nfs/dbraw/zinc/49/49/30/496494930.db2.gz FQSAUKYRORGUPS-KBPBESRZSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163297009 496494936 /nfs/dbraw/zinc/49/49/36/496494936.db2.gz FQSAUKYRORGUPS-KBPBESRZSA-N 1 3 373.419 3.234 20 0 FGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163297009 496494940 /nfs/dbraw/zinc/49/49/40/496494940.db2.gz FQSAUKYRORGUPS-KBPBESRZSA-N 1 3 373.419 3.234 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181691818 496505474 /nfs/dbraw/zinc/50/54/74/496505474.db2.gz UVTQYSSQKIULKT-HDICACEKSA-N 1 3 368.562 3.320 20 0 FGADHO CCC1(CC)[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C[C@H]1OC ZINC000181708070 496511043 /nfs/dbraw/zinc/51/10/43/496511043.db2.gz WWJJSTAUUZSQLC-NHCUHLMSSA-N 1 3 360.542 3.327 20 0 FGADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3NCCc4ccccc43)ccc21 ZINC000569083641 505848629 /nfs/dbraw/zinc/84/86/29/505848629.db2.gz HBVXJKWCMKQYTO-NHCUHLMSSA-N 1 3 364.493 3.244 20 0 FGADHO CCc1ccc([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000157741013 496542677 /nfs/dbraw/zinc/54/26/77/496542677.db2.gz QADHQXIMZOKYAC-SFHVURJKSA-N 1 3 371.569 3.417 20 0 FGADHO CCC1(CC)[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C[C@@H]1OC ZINC000181861172 496575447 /nfs/dbraw/zinc/57/54/47/496575447.db2.gz WLNRYQPJAVHFQF-SFTDATJTSA-N 1 3 360.542 3.327 20 0 FGADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C[C@H]1OC ZINC000181861190 496575727 /nfs/dbraw/zinc/57/57/27/496575727.db2.gz WLNRYQPJAVHFQF-NHCUHLMSSA-N 1 3 360.542 3.327 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164271945 496600669 /nfs/dbraw/zinc/60/06/69/496600669.db2.gz QPSIIJNLEQKSBU-OAQYLSRUSA-N 1 3 371.569 3.479 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000164271945 496600675 /nfs/dbraw/zinc/60/06/75/496600675.db2.gz QPSIIJNLEQKSBU-OAQYLSRUSA-N 1 3 371.569 3.479 20 0 FGADHO O[C@@H](COc1ccccc1F)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178918151 496617012 /nfs/dbraw/zinc/61/70/12/496617012.db2.gz XWUITYPHORPBLL-LJQANCHMSA-N 1 3 364.505 3.153 20 0 FGADHO CC[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000164947900 496641189 /nfs/dbraw/zinc/64/11/89/496641189.db2.gz VKFGXQNYVZWOBT-VXKWHMMOSA-N 1 3 365.521 3.420 20 0 FGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003832 496644149 /nfs/dbraw/zinc/64/41/49/496644149.db2.gz SRKUPEWZJCQQKZ-QINHECLXSA-N 1 3 355.482 3.028 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN1CCCC1 ZINC000165266432 496653774 /nfs/dbraw/zinc/65/37/74/496653774.db2.gz ONQALEPZSWFUJP-INIZCTEOSA-N 1 3 363.933 3.266 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(OCCN(C)C)c1 ZINC000168150884 496708665 /nfs/dbraw/zinc/70/86/65/496708665.db2.gz LGUMUMWUXYYRHG-WMZOPIPTSA-N 1 3 372.488 3.091 20 0 FGADHO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(OCCN(C)C)c1 ZINC000168150781 496708945 /nfs/dbraw/zinc/70/89/45/496708945.db2.gz LGUMUMWUXYYRHG-SJLPKXTDSA-N 1 3 372.488 3.091 20 0 FGADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc2c1CCNC2 ZINC000571982970 505862000 /nfs/dbraw/zinc/86/20/00/505862000.db2.gz IWTIKCQVKMNVTL-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc2c1CCNC2 ZINC000571982970 505862002 /nfs/dbraw/zinc/86/20/02/505862002.db2.gz IWTIKCQVKMNVTL-UHFFFAOYSA-N 1 3 366.509 3.364 20 0 FGADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000182243842 496718556 /nfs/dbraw/zinc/71/85/56/496718556.db2.gz DRNLIKHBTJXGRS-GOSISDBHSA-N 1 3 366.933 3.196 20 0 FGADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000182259197 496722150 /nfs/dbraw/zinc/72/21/50/496722150.db2.gz AWCIWYLJSWSBJX-KRWDZBQOSA-N 1 3 354.922 3.052 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCOc3ccccc32)C1 ZINC000182269679 496723712 /nfs/dbraw/zinc/72/37/12/496723712.db2.gz DPMCZOXKCSPJJB-PZJWPPBQSA-N 1 3 352.478 3.257 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCOc3ccccc32)C1 ZINC000182269679 496723714 /nfs/dbraw/zinc/72/37/14/496723714.db2.gz DPMCZOXKCSPJJB-PZJWPPBQSA-N 1 3 352.478 3.257 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000191412506 496754387 /nfs/dbraw/zinc/75/43/87/496754387.db2.gz LEZBDQJWBLJDOJ-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000191412506 496754389 /nfs/dbraw/zinc/75/43/89/496754389.db2.gz LEZBDQJWBLJDOJ-UHFFFAOYSA-N 1 3 353.938 3.067 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000247022680 496755813 /nfs/dbraw/zinc/75/58/13/496755813.db2.gz KVTBQDMIRSKESD-CGTJXYLNSA-N 1 3 350.503 3.244 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000191459178 496769775 /nfs/dbraw/zinc/76/97/75/496769775.db2.gz JDIJGFZLCPARCE-JOCHJYFZSA-N 1 3 359.558 3.084 20 0 FGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000191459178 496769780 /nfs/dbraw/zinc/76/97/80/496769780.db2.gz JDIJGFZLCPARCE-JOCHJYFZSA-N 1 3 359.558 3.084 20 0 FGADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268767358 496778402 /nfs/dbraw/zinc/77/84/02/496778402.db2.gz OIGPVFCJISFOEQ-OAHLLOKOSA-N 1 3 373.463 3.304 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492077 496782176 /nfs/dbraw/zinc/78/21/76/496782176.db2.gz ORNKXXLYYYCMJW-JXFKEZNVSA-N 1 3 356.514 3.190 20 0 FGADHO Cc1c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492077 496782182 /nfs/dbraw/zinc/78/21/82/496782182.db2.gz ORNKXXLYYYCMJW-JXFKEZNVSA-N 1 3 356.514 3.190 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495184 496783223 /nfs/dbraw/zinc/78/32/23/496783223.db2.gz ZSRBVVGBLKQBJM-LJQANCHMSA-N 1 3 363.571 3.239 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094257 496820580 /nfs/dbraw/zinc/82/05/80/496820580.db2.gz BQTHYQJTSWXNNP-GOSISDBHSA-N 1 3 368.525 3.031 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094257 496820584 /nfs/dbraw/zinc/82/05/84/496820584.db2.gz BQTHYQJTSWXNNP-GOSISDBHSA-N 1 3 368.525 3.031 20 0 FGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000268976380 496840895 /nfs/dbraw/zinc/84/08/95/496840895.db2.gz BSUNOSSQXKVJCB-KJXAQDMKSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2cccn2)cc1 ZINC000268980231 496841153 /nfs/dbraw/zinc/84/11/53/496841153.db2.gz CSKPNLCSNVMDEM-MSOLQXFVSA-N 1 3 354.498 3.024 20 0 FGADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269063081 496861218 /nfs/dbraw/zinc/86/12/18/496861218.db2.gz KRMRSWJNTHMDBP-JOCHJYFZSA-N 1 3 366.505 3.429 20 0 FGADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000247545366 496884400 /nfs/dbraw/zinc/88/44/00/496884400.db2.gz RMRZZYXQLXPUDX-PGRDOPGGSA-N 1 3 352.526 3.143 20 0 FGADHO CCN1CC[C@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121918 496956207 /nfs/dbraw/zinc/95/62/07/496956207.db2.gz NMGCXNJJQZBSOI-ZVDOUQERSA-N 1 3 359.558 3.206 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4ccccc43)c2)C1 ZINC000248152080 496964293 /nfs/dbraw/zinc/96/42/93/496964293.db2.gz QWMXMSIPZKUMOS-IRLDBZIGSA-N 1 3 363.505 3.161 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4ccccc43)c2)C1 ZINC000248152080 496964298 /nfs/dbraw/zinc/96/42/98/496964298.db2.gz QWMXMSIPZKUMOS-IRLDBZIGSA-N 1 3 363.505 3.161 20 0 FGADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248408835 497000668 /nfs/dbraw/zinc/00/06/68/497000668.db2.gz VYFWVFOZMZFIJX-FYZZASKESA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408835 497000674 /nfs/dbraw/zinc/00/06/74/497000674.db2.gz VYFWVFOZMZFIJX-FYZZASKESA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408835 497000682 /nfs/dbraw/zinc/00/06/82/497000682.db2.gz VYFWVFOZMZFIJX-FYZZASKESA-N 1 3 357.542 3.182 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278135854 497016053 /nfs/dbraw/zinc/01/60/53/497016053.db2.gz NOLIMNRHXRNNEF-UHFFFAOYSA-N 1 3 372.557 3.154 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911714 505882046 /nfs/dbraw/zinc/88/20/46/505882046.db2.gz BQZIXADYKPACGR-HKUYNNGSSA-N 1 3 352.482 3.053 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911714 505882048 /nfs/dbraw/zinc/88/20/48/505882048.db2.gz BQZIXADYKPACGR-HKUYNNGSSA-N 1 3 352.482 3.053 20 0 FGADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248719190 497086652 /nfs/dbraw/zinc/08/66/52/497086652.db2.gz SDUGTPCSAKQQCL-SJLPKXTDSA-N 1 3 366.575 3.114 20 0 FGADHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](N)c1ccccc1 ZINC000236624864 497122590 /nfs/dbraw/zinc/12/25/90/497122590.db2.gz UOYRAHYRBUROBF-IRFCIJBXSA-N 1 3 357.542 3.293 20 0 FGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000236630991 497123029 /nfs/dbraw/zinc/12/30/29/497123029.db2.gz ZAFPMQAOBOOONU-JOCHJYFZSA-N 1 3 365.521 3.105 20 0 FGADHO C[C@@H](Cc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000236711418 497135856 /nfs/dbraw/zinc/13/58/56/497135856.db2.gz CCZNXYYVWCLIEK-MAUKXSAKSA-N 1 3 369.347 3.063 20 0 FGADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000236889945 497163729 /nfs/dbraw/zinc/16/37/29/497163729.db2.gz VOHONEDMOLPKJJ-KKSFZXQISA-N 1 3 353.510 3.405 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215291 /nfs/dbraw/zinc/21/52/91/497215291.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215292 /nfs/dbraw/zinc/21/52/92/497215292.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@@H+]1CCC[C@@H]2CN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215296 /nfs/dbraw/zinc/21/52/96/497215296.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO C[N@H+]1CCC[C@@H]2CN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215297 /nfs/dbraw/zinc/21/52/97/497215297.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 1 3 351.535 3.050 20 0 FGADHO C[C@@H](CC(=O)Nc1ccccc1NC1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237347024 497223240 /nfs/dbraw/zinc/22/32/40/497223240.db2.gz XCLSPHCOZLLDGB-DLBZAZTESA-N 1 3 358.530 3.157 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237348525 497224564 /nfs/dbraw/zinc/22/45/64/497224564.db2.gz LQFJOUKNDVQILU-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237348525 497224572 /nfs/dbraw/zinc/22/45/72/497224572.db2.gz LQFJOUKNDVQILU-GCJKJVERSA-N 1 3 365.521 3.247 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cs1 ZINC000192853672 497230248 /nfs/dbraw/zinc/23/02/48/497230248.db2.gz SECKLDQXFHWRNR-JLYLLQBASA-N 1 3 362.587 3.132 20 0 FGADHO COCCOc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192917475 497246665 /nfs/dbraw/zinc/24/66/65/497246665.db2.gz SODHEBJMEQHMTI-HXUWFJFHSA-N 1 3 354.494 3.324 20 0 FGADHO C[C@H](CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237578521 497258245 /nfs/dbraw/zinc/25/82/45/497258245.db2.gz VGVGVDJNQNAQMX-SVFBPWRDSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237586374 497259211 /nfs/dbraw/zinc/25/92/11/497259211.db2.gz PLVYQKPQLVQXDU-DYESRHJHSA-N 1 3 351.494 3.270 20 0 FGADHO C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237651317 497270003 /nfs/dbraw/zinc/27/00/03/497270003.db2.gz QNAAXYXKQSNNMR-FGTMMUONSA-N 1 3 363.571 3.102 20 0 FGADHO Cc1cc(NC(=O)C[C@H](N)c2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000237712595 497280259 /nfs/dbraw/zinc/28/02/59/497280259.db2.gz IIDVOQUJFBGVLW-FQEVSTJZSA-N 1 3 367.493 3.498 20 0 FGADHO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1OCCN1CCCC1 ZINC000237729557 497283016 /nfs/dbraw/zinc/28/30/16/497283016.db2.gz QLCFVHQERPQJAU-UHFFFAOYSA-N 1 3 353.466 3.181 20 0 FGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405651 /nfs/dbraw/zinc/40/56/51/497405651.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405656 /nfs/dbraw/zinc/40/56/56/497405656.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405662 /nfs/dbraw/zinc/40/56/62/497405662.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405667 /nfs/dbraw/zinc/40/56/67/497405667.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 1 3 365.521 3.429 20 0 FGADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826649 497458251 /nfs/dbraw/zinc/45/82/51/497458251.db2.gz NXAULELSMKWRPK-OAQYLSRUSA-N 1 3 357.542 3.266 20 0 FGADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670578 497494681 /nfs/dbraw/zinc/49/46/81/497494681.db2.gz HHEFVXZJJJAXOS-YUMYIRISSA-N 1 3 362.521 3.446 20 0 FGADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670578 497494685 /nfs/dbraw/zinc/49/46/85/497494685.db2.gz HHEFVXZJJJAXOS-YUMYIRISSA-N 1 3 362.521 3.446 20 0 FGADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCS2 ZINC000276200177 497518739 /nfs/dbraw/zinc/51/87/39/497518739.db2.gz YOQZBVIQYGISIY-CEXWTWQISA-N 1 3 362.539 3.200 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312978 497524018 /nfs/dbraw/zinc/52/40/18/497524018.db2.gz CFADBXQOUBJCIP-GHTZIAJQSA-N 1 3 372.557 3.069 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)C1CCN(C)CC1 ZINC000245765181 497532251 /nfs/dbraw/zinc/53/22/51/497532251.db2.gz QQDOWVAZWVXXPQ-UGKGYDQZSA-N 1 3 357.542 3.218 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)C1CCN(C)CC1 ZINC000245765181 497532257 /nfs/dbraw/zinc/53/22/57/497532257.db2.gz QQDOWVAZWVXXPQ-UGKGYDQZSA-N 1 3 357.542 3.218 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262379365 497547458 /nfs/dbraw/zinc/54/74/58/497547458.db2.gz MUFFXIYLLHNYNF-FAQHILDVSA-N 1 3 370.541 3.285 20 0 FGADHO CN1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@H]1c1cccs1 ZINC000262447539 497558148 /nfs/dbraw/zinc/55/81/48/497558148.db2.gz VMJBUKNRWFTSIM-ZTTFOMCMSA-N 1 3 361.555 3.027 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000262648875 497591358 /nfs/dbraw/zinc/59/13/58/497591358.db2.gz PSTHZMKRKNKTOS-HXHBTQRASA-N 1 3 365.521 3.492 20 0 FGADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000262648875 497591363 /nfs/dbraw/zinc/59/13/63/497591363.db2.gz PSTHZMKRKNKTOS-HXHBTQRASA-N 1 3 365.521 3.492 20 0 FGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216813 505916581 /nfs/dbraw/zinc/91/65/81/505916581.db2.gz RFCNBTMAKNTTBO-SFHVURJKSA-N 1 3 366.509 3.432 20 0 FGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216813 505916585 /nfs/dbraw/zinc/91/65/85/505916585.db2.gz RFCNBTMAKNTTBO-SFHVURJKSA-N 1 3 366.509 3.432 20 0 FGADHO CC(C)N(C)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000190785550 497602910 /nfs/dbraw/zinc/60/29/10/497602910.db2.gz CNPXAQGPSDPCOM-UHFFFAOYSA-N 1 3 356.514 3.156 20 0 FGADHO CCC(CC)(CNC(=O)[C@@H](N)CCSC)[NH2+][C@H](C)c1ccccc1 ZINC000272470856 497637995 /nfs/dbraw/zinc/63/79/95/497637995.db2.gz QDVBVGQAMWDECO-WBVHZDCISA-N 1 3 351.560 3.093 20 0 FGADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181286 497650956 /nfs/dbraw/zinc/65/09/56/497650956.db2.gz CFEWUFIQGMMIMZ-FCEUIQTBSA-N 1 3 371.569 3.383 20 0 FGADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc(Br)c1OC ZINC000246265213 497678087 /nfs/dbraw/zinc/67/80/87/497678087.db2.gz LQTSLOHQIDDANZ-SLEUVZQESA-N 1 3 371.319 3.285 20 0 FGADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701192 /nfs/dbraw/zinc/70/11/92/497701192.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 1 3 351.494 3.271 20 0 FGADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701196 /nfs/dbraw/zinc/70/11/96/497701196.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 1 3 351.494 3.271 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701355 /nfs/dbraw/zinc/70/13/55/497701355.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701358 /nfs/dbraw/zinc/70/13/58/497701358.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497719013 /nfs/dbraw/zinc/71/90/13/497719013.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497719020 /nfs/dbraw/zinc/71/90/20/497719020.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 1 3 372.557 3.021 20 0 FGADHO c1csc(N2CCC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)CC2)n1 ZINC000272851912 497745620 /nfs/dbraw/zinc/74/56/20/497745620.db2.gz JTAZDAXJOIBTPL-IBGZPJMESA-N 1 3 370.566 3.266 20 0 FGADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000263310250 497754743 /nfs/dbraw/zinc/75/47/43/497754743.db2.gz YLRXVWMQYKYJJI-UYAOXDASSA-N 1 3 361.555 3.124 20 0 FGADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000292058426 497859075 /nfs/dbraw/zinc/85/90/75/497859075.db2.gz JXAGBKOJJRCGTM-MAUKXSAKSA-N 1 3 371.447 3.075 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3c3ccccc3)CC2)CC1 ZINC000581259689 505945673 /nfs/dbraw/zinc/94/56/73/505945673.db2.gz RFKBUHOBMKDVKI-NRFANRHFSA-N 1 3 355.526 3.156 20 0 FGADHO CSc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000572356554 505948498 /nfs/dbraw/zinc/94/84/98/505948498.db2.gz MVMUDQAQHZABGS-SFHVURJKSA-N 1 3 364.555 3.145 20 0 FGADHO C[N@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296570 498094997 /nfs/dbraw/zinc/09/49/97/498094997.db2.gz QILIDGVSFAOYMT-MOPGFXCFSA-N 1 3 358.482 3.062 20 0 FGADHO C[N@@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCCC1 ZINC000289296570 498095004 /nfs/dbraw/zinc/09/50/04/498095004.db2.gz QILIDGVSFAOYMT-MOPGFXCFSA-N 1 3 358.482 3.062 20 0 FGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342332 498112399 /nfs/dbraw/zinc/11/23/99/498112399.db2.gz XCBIKTZSPBJKNV-OALUTQOASA-N 1 3 359.514 3.361 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511962 505986974 /nfs/dbraw/zinc/98/69/74/505986974.db2.gz IQYNNZKZTPUIHW-SJORKVTESA-N 1 3 364.534 3.225 20 0 FGADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511962 505986978 /nfs/dbraw/zinc/98/69/78/505986978.db2.gz IQYNNZKZTPUIHW-SJORKVTESA-N 1 3 364.534 3.225 20 0 FGADHO C[C@H]1C[C@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2nccn21 ZINC000296883389 498235649 /nfs/dbraw/zinc/23/56/49/498235649.db2.gz OHQGNPFXXSLRPZ-PXNSSMCTSA-N 1 3 354.498 3.196 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789710 498294917 /nfs/dbraw/zinc/29/49/17/498294917.db2.gz NFBNFYVZZZUUGH-GBESFXJTSA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789710 498294919 /nfs/dbraw/zinc/29/49/19/498294919.db2.gz NFBNFYVZZZUUGH-GBESFXJTSA-N 1 3 356.539 3.279 20 0 FGADHO Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000289789710 498294924 /nfs/dbraw/zinc/29/49/24/498294924.db2.gz NFBNFYVZZZUUGH-GBESFXJTSA-N 1 3 356.539 3.279 20 0 FGADHO Fc1ccc(-n2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811127 506021957 /nfs/dbraw/zinc/02/19/57/506021957.db2.gz LSLWCROXENFFBA-IAGOWNOFSA-N 1 3 368.500 3.322 20 0 FGADHO CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000302051383 498385662 /nfs/dbraw/zinc/38/56/62/498385662.db2.gz OUHGVIOABARISZ-SFHVURJKSA-N 1 3 352.526 3.322 20 0 FGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297342594 498412125 /nfs/dbraw/zinc/41/21/25/498412125.db2.gz CDKSKLHYPSQQTC-UHFFFAOYSA-N 1 3 372.557 3.085 20 0 FGADHO CC(C)n1cc(C2=CCC[N@@H+](C3CCN(c4ccncc4)CC3)CC2)nn1 ZINC000572724918 506037378 /nfs/dbraw/zinc/03/73/78/506037378.db2.gz KMCHSAJWIIUZRX-UHFFFAOYSA-N 1 3 366.513 3.402 20 0 FGADHO CC(C)n1cc(C2=CCC[N@H+](C3CCN(c4ccncc4)CC3)CC2)nn1 ZINC000572724918 506037381 /nfs/dbraw/zinc/03/73/81/506037381.db2.gz KMCHSAJWIIUZRX-UHFFFAOYSA-N 1 3 366.513 3.402 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875206 506042541 /nfs/dbraw/zinc/04/25/41/506042541.db2.gz MTOKIUGZISLAHW-HKUYNNGSSA-N 1 3 363.571 3.211 20 0 FGADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875206 506042543 /nfs/dbraw/zinc/04/25/43/506042543.db2.gz MTOKIUGZISLAHW-HKUYNNGSSA-N 1 3 363.571 3.211 20 0 FGADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000287042844 498603748 /nfs/dbraw/zinc/60/37/48/498603748.db2.gz IXLYJIDQOMXKBT-RXVVDRJESA-N 1 3 355.526 3.371 20 0 FGADHO C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000303517343 498684513 /nfs/dbraw/zinc/68/45/13/498684513.db2.gz YHEKQZDLFMMVSL-TZIWHRDSSA-N 1 3 372.557 3.167 20 0 FGADHO C[C@H]1CN(Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C[C@H](C)O1 ZINC000298259141 498713077 /nfs/dbraw/zinc/71/30/77/498713077.db2.gz FIZWXHYQXAQZDC-ROUUACIJSA-N 1 3 357.542 3.012 20 0 FGADHO C[C@H]1CN(Cc2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)C[C@H](C)O1 ZINC000298259141 498713082 /nfs/dbraw/zinc/71/30/82/498713082.db2.gz FIZWXHYQXAQZDC-ROUUACIJSA-N 1 3 357.542 3.012 20 0 FGADHO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298372256 498747598 /nfs/dbraw/zinc/74/75/98/498747598.db2.gz KSWNXDGQTQYDMD-NRFANRHFSA-N 1 3 355.482 3.161 20 0 FGADHO CSc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000294642648 498759911 /nfs/dbraw/zinc/75/99/11/498759911.db2.gz DAXIXIDPHNTCAU-IBGZPJMESA-N 1 3 361.555 3.002 20 0 FGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294648600 498761624 /nfs/dbraw/zinc/76/16/24/498761624.db2.gz GQIRVWIHKZVQRL-APWZRJJASA-N 1 3 363.502 3.041 20 0 FGADHO CC1CC[NH+](CCC[C@@H](NC[C@@]2(O)CCOC2)c2ccc(F)cc2)CC1 ZINC000291141745 498812456 /nfs/dbraw/zinc/81/24/56/498812456.db2.gz HRPXIRHVHZUFDA-RTWAWAEBSA-N 1 3 364.505 3.120 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)c3ccc(C)cc3)CC2)CC1 ZINC000581952733 506098933 /nfs/dbraw/zinc/09/89/33/506098933.db2.gz SQEHTXOUGZVCDV-IBGZPJMESA-N 1 3 371.569 3.411 20 0 FGADHO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000581953634 506099598 /nfs/dbraw/zinc/09/95/98/506099598.db2.gz UWPZSMWFOJGELK-UWJYYQICSA-N 1 3 353.510 3.212 20 0 FGADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326774 498875394 /nfs/dbraw/zinc/87/53/94/498875394.db2.gz FTOLKAHZQXASPJ-YSIASYRMSA-N 1 3 371.912 3.019 20 0 FGADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326774 498875401 /nfs/dbraw/zinc/87/54/01/498875401.db2.gz FTOLKAHZQXASPJ-YSIASYRMSA-N 1 3 371.912 3.019 20 0 FGADHO CCC1CCC(N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000363602974 498899615 /nfs/dbraw/zinc/89/96/15/498899615.db2.gz LSKYLUXXEVMJCX-UHFFFAOYSA-N 1 3 364.578 3.155 20 0 FGADHO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000295084762 498903754 /nfs/dbraw/zinc/90/37/54/498903754.db2.gz UIBKMDXBRDIICZ-KCZVDYSFSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295084762 498903758 /nfs/dbraw/zinc/90/37/58/498903758.db2.gz UIBKMDXBRDIICZ-KCZVDYSFSA-N 1 3 350.510 3.218 20 0 FGADHO Cc1nccnc1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295084762 498903761 /nfs/dbraw/zinc/90/37/61/498903761.db2.gz UIBKMDXBRDIICZ-KCZVDYSFSA-N 1 3 350.510 3.218 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000287991301 498919901 /nfs/dbraw/zinc/91/99/01/498919901.db2.gz KXWQFHJYXXKSDH-PXNSSMCTSA-N 1 3 360.546 3.194 20 0 FGADHO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000288309147 498991488 /nfs/dbraw/zinc/99/14/88/498991488.db2.gz XFINGXWAOYIGQJ-YYWHXJBOSA-N 1 3 372.557 3.051 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000367088174 499146732 /nfs/dbraw/zinc/14/67/32/499146732.db2.gz ULPZPSNSVFBSSR-OAQYLSRUSA-N 1 3 357.542 3.138 20 0 FGADHO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000372780773 499174225 /nfs/dbraw/zinc/17/42/25/499174225.db2.gz LGYQOZFEOGXLLX-GHTZIAJQSA-N 1 3 359.558 3.128 20 0 FGADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000372780773 499174226 /nfs/dbraw/zinc/17/42/26/499174226.db2.gz LGYQOZFEOGXLLX-GHTZIAJQSA-N 1 3 359.558 3.128 20 0 FGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000372817512 499179786 /nfs/dbraw/zinc/17/97/86/499179786.db2.gz ZUELANYZMRYUHW-OAQYLSRUSA-N 1 3 364.493 3.183 20 0 FGADHO Cc1nn2c(C[NH2+]C[C@@H]3CCN(C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334949 499183320 /nfs/dbraw/zinc/18/33/20/499183320.db2.gz SLFWGUHTFSCHCI-WMZOPIPTSA-N 1 3 355.511 3.190 20 0 FGADHO CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000367522314 499208682 /nfs/dbraw/zinc/20/86/82/499208682.db2.gz DSUPHQRHODLIJH-ZGUYJTEBSA-N 1 3 351.535 3.286 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](CNC3CC[NH+](CC4CCCCC4)CC3)O2)n1 ZINC000370410674 499218040 /nfs/dbraw/zinc/21/80/40/499218040.db2.gz QORVAEKRQUINNI-MOPGFXCFSA-N 1 3 362.518 3.232 20 0 FGADHO Cc1noc([C@@H]2CC[C@H](C[NH2+]C3CCN(CC4CCCCC4)CC3)O2)n1 ZINC000370410674 499218042 /nfs/dbraw/zinc/21/80/42/499218042.db2.gz QORVAEKRQUINNI-MOPGFXCFSA-N 1 3 362.518 3.232 20 0 FGADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000370638280 499238716 /nfs/dbraw/zinc/23/87/16/499238716.db2.gz XFBSRQBWVQFGGK-ZBFHGGJFSA-N 1 3 371.447 3.404 20 0 FGADHO Cn1cc(-c2ccccc2CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000573197494 506140872 /nfs/dbraw/zinc/14/08/72/506140872.db2.gz DBVQSQJAKYYGMK-JTHBVZDNSA-N 1 3 374.488 3.433 20 0 FGADHO C[C@@H](C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)[C@@H](N)c1ccccc1 ZINC000370763709 499252494 /nfs/dbraw/zinc/25/24/94/499252494.db2.gz OBNVOHZIMAJAFX-BWGXQHLSSA-N 1 3 357.542 3.482 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316553 499309461 /nfs/dbraw/zinc/30/94/61/499309461.db2.gz GMJXQVUDOOEPIT-RIVXBTQJSA-N 1 3 350.478 3.374 20 0 FGADHO COc1cc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316553 499309462 /nfs/dbraw/zinc/30/94/62/499309462.db2.gz GMJXQVUDOOEPIT-RIVXBTQJSA-N 1 3 350.478 3.374 20 0 FGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000371589708 499345090 /nfs/dbraw/zinc/34/50/90/499345090.db2.gz VCRXYXKOFOINAZ-ZWKOTPCHSA-N 1 3 370.541 3.162 20 0 FGADHO Cc1ccc2cc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930388 499347852 /nfs/dbraw/zinc/34/78/52/499347852.db2.gz KYGNWDDUXVTNDQ-VGSWGCGISA-N 1 3 352.526 3.001 20 0 FGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCc3nnc(Cc4ccccc4)n3C2)CC1 ZINC000369230437 499380465 /nfs/dbraw/zinc/38/04/65/499380465.db2.gz VDTRCZFXNQWARH-LJQANCHMSA-N 1 3 367.541 3.036 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314663 499390793 /nfs/dbraw/zinc/39/07/93/499390793.db2.gz CVAWZGKUGSNMGK-WDSOQIARSA-N 1 3 358.530 3.042 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314663 499390795 /nfs/dbraw/zinc/39/07/95/499390795.db2.gz CVAWZGKUGSNMGK-WDSOQIARSA-N 1 3 358.530 3.042 20 0 FGADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372390764 499427989 /nfs/dbraw/zinc/42/79/89/499427989.db2.gz XSYKZAZJCUKSKU-FPOVZHCZSA-N 1 3 360.546 3.093 20 0 FGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCN(c4ccncn4)C3)CC2)C1 ZINC000378473450 499521550 /nfs/dbraw/zinc/52/15/50/499521550.db2.gz KCTKLFHWZOSPMO-MISYRCLQSA-N 1 3 357.546 3.078 20 0 FGADHO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](CN3CCN(C)CC3)C2)c1C ZINC000378653698 499541339 /nfs/dbraw/zinc/54/13/39/499541339.db2.gz UCXBRQMCNVSGCY-IBGZPJMESA-N 1 3 352.526 3.315 20 0 FGADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000383705811 499546944 /nfs/dbraw/zinc/54/69/44/499546944.db2.gz FGVLAWACRBHFAL-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO Cc1cc(C)cc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705811 499546945 /nfs/dbraw/zinc/54/69/45/499546945.db2.gz FGVLAWACRBHFAL-YADHBBJMSA-N 1 3 368.521 3.155 20 0 FGADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375745510 499551064 /nfs/dbraw/zinc/55/10/64/499551064.db2.gz QVKLHDFKRWJENV-KXZRCVDZSA-N 1 3 355.526 3.127 20 0 FGADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375745510 499551065 /nfs/dbraw/zinc/55/10/65/499551065.db2.gz QVKLHDFKRWJENV-KXZRCVDZSA-N 1 3 355.526 3.127 20 0 FGADHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc(C)c1O ZINC000397485392 499564009 /nfs/dbraw/zinc/56/40/09/499564009.db2.gz BBLROMBMXYSQCD-UHFFFAOYSA-N 1 3 354.494 3.126 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CCN(C)CC1 ZINC000573238947 506150953 /nfs/dbraw/zinc/15/09/53/506150953.db2.gz FKDCPXWUBQWAGX-PGRDOPGGSA-N 1 3 366.505 3.333 20 0 FGADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000582176798 506152005 /nfs/dbraw/zinc/15/20/05/506152005.db2.gz MGERQUJNZQEZFB-OAHLLOKOSA-N 1 3 374.447 3.157 20 0 FGADHO [NH3+]C[C@@H]1CN(CCCc2nc(-c3cccs3)no2)C[C@H]1c1ccccc1 ZINC000410075979 499639803 /nfs/dbraw/zinc/63/98/03/499639803.db2.gz VVZQUKKUKXINKN-SJORKVTESA-N 1 3 368.506 3.405 20 0 FGADHO CCN(CC)CCN(CCC(F)(F)F)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377057544 499657700 /nfs/dbraw/zinc/65/77/00/499657700.db2.gz QYTWEFDTWKUIEG-IAGOWNOFSA-N 1 3 364.500 3.056 20 0 FGADHO CN(Cc1ccc(CSC(F)F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619931 499711389 /nfs/dbraw/zinc/71/13/89/499711389.db2.gz DGYXFQKNYPQNLT-OAHLLOKOSA-N 1 3 373.513 3.336 20 0 FGADHO COc1cc([C@H](C)[N@H+](C)C2CCN(C3CCOCC3)CC2)ccc1F ZINC000377649354 499715516 /nfs/dbraw/zinc/71/55/16/499715516.db2.gz MHKOWVVAEFCPRH-HNNXBMFYSA-N 1 3 350.478 3.471 20 0 FGADHO COc1cc([C@H](C)[N@@H+](C)C2CCN(C3CCOCC3)CC2)ccc1F ZINC000377649354 499715517 /nfs/dbraw/zinc/71/55/17/499715517.db2.gz MHKOWVVAEFCPRH-HNNXBMFYSA-N 1 3 350.478 3.471 20 0 FGADHO CC(C)N(C)c1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cn1 ZINC000377693288 499720603 /nfs/dbraw/zinc/72/06/03/499720603.db2.gz KFQVUEXGXJZZAE-UHFFFAOYSA-N 1 3 353.514 3.422 20 0 FGADHO CC(C)N(C)c1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cn1 ZINC000377693288 499720604 /nfs/dbraw/zinc/72/06/04/499720604.db2.gz KFQVUEXGXJZZAE-UHFFFAOYSA-N 1 3 353.514 3.422 20 0 FGADHO CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278364 499720715 /nfs/dbraw/zinc/72/07/15/499720715.db2.gz AGKOFLMMRCOYFF-YADHBBJMSA-N 1 3 372.553 3.424 20 0 FGADHO CN(Cc1cnn(Cc2ccccc2)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698287 499721499 /nfs/dbraw/zinc/72/14/99/499721499.db2.gz LSJZKDFYWMMNME-UHFFFAOYSA-N 1 3 361.493 3.427 20 0 FGADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000411398919 499734683 /nfs/dbraw/zinc/73/46/83/499734683.db2.gz PWOYHZFAZKZMBH-YRNVUSSQSA-N 1 3 369.553 3.404 20 0 FGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740513 /nfs/dbraw/zinc/74/05/13/499740513.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 1 3 351.535 3.050 20 0 FGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740514 /nfs/dbraw/zinc/74/05/14/499740514.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 1 3 351.535 3.050 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000411475899 499745618 /nfs/dbraw/zinc/74/56/18/499745618.db2.gz NTKQHVOOVUIDRE-OAQYLSRUSA-N 1 3 361.505 3.247 20 0 FGADHO C[C@@H](CCC1CCCCC1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194119 499767432 /nfs/dbraw/zinc/76/74/32/499767432.db2.gz NIUAIONJDJSTBM-IBGZPJMESA-N 1 3 351.579 3.122 20 0 FGADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203347 499768152 /nfs/dbraw/zinc/76/81/52/499768152.db2.gz VEQISFZOUQDBJC-QFIPXVFZSA-N 1 3 373.585 3.174 20 0 FGADHO CC(C)Cc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414206711 499768521 /nfs/dbraw/zinc/76/85/21/499768521.db2.gz YWUZIKXROPCNPR-FQEVSTJZSA-N 1 3 373.585 3.332 20 0 FGADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000414294440 499775131 /nfs/dbraw/zinc/77/51/31/499775131.db2.gz QCGWPUPVBUZUGQ-BAMDZGJYSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000414294440 499775132 /nfs/dbraw/zinc/77/51/32/499775132.db2.gz QCGWPUPVBUZUGQ-BAMDZGJYSA-N 1 3 368.496 3.402 20 0 FGADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000414294440 499775133 /nfs/dbraw/zinc/77/51/33/499775133.db2.gz QCGWPUPVBUZUGQ-BAMDZGJYSA-N 1 3 368.496 3.402 20 0 FGADHO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414334076 499778613 /nfs/dbraw/zinc/77/86/13/499778613.db2.gz GBHQNMFRHMNUKG-PZJWPPBQSA-N 1 3 357.542 3.442 20 0 FGADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000412012152 499812952 /nfs/dbraw/zinc/81/29/52/499812952.db2.gz WSUBQVMENHYSMG-UHFFFAOYSA-N 1 3 355.526 3.373 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000414803724 499832793 /nfs/dbraw/zinc/83/27/93/499832793.db2.gz NXANANCWLUSOMM-DZGCQCFKSA-N 1 3 369.303 3.218 20 0 FGADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414809274 499833500 /nfs/dbraw/zinc/83/35/00/499833500.db2.gz LVOIWSQWVFRRPS-LBPRGKRZSA-N 1 3 356.308 3.273 20 0 FGADHO CCCC[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819035 499834478 /nfs/dbraw/zinc/83/44/78/499834478.db2.gz XQNHUGJCZLCTNI-DOMZBBRYSA-N 1 3 356.308 3.273 20 0 FGADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842271 499836891 /nfs/dbraw/zinc/83/68/91/499836891.db2.gz OFHBPYIPMFHNFX-GXTWGEPZSA-N 1 3 361.408 3.265 20 0 FGADHO CN(C)CCOc1cccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000414883028 499841379 /nfs/dbraw/zinc/84/13/79/499841379.db2.gz MOCZOSMJEYJWON-HXUWFJFHSA-N 1 3 370.497 3.229 20 0 FGADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2ccccc2Br)CC1 ZINC000414924643 499845002 /nfs/dbraw/zinc/84/50/02/499845002.db2.gz IWKDWHLKKCMPFA-KSSFIOAISA-N 1 3 366.347 3.001 20 0 FGADHO Brc1ccc(-c2c[nH]c(CNCCC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000414979567 499851090 /nfs/dbraw/zinc/85/10/90/499851090.db2.gz VMWOYCVRNXQKTA-OAHLLOKOSA-N 1 3 363.303 3.461 20 0 FGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000415122373 499866557 /nfs/dbraw/zinc/86/65/57/499866557.db2.gz JXLDVZAAJZVZHG-WBVHZDCISA-N 1 3 358.404 3.304 20 0 FGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124424 499866741 /nfs/dbraw/zinc/86/67/41/499866741.db2.gz KFAWNPSAMNHPFG-ROUUACIJSA-N 1 3 372.431 3.346 20 0 FGADHO CCN1CCN(c2cccc(NC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2)CC1 ZINC000415496446 499896638 /nfs/dbraw/zinc/89/66/38/499896638.db2.gz GXXTXQHWBOOFJC-MRXNPFEDSA-N 1 3 367.497 3.492 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000415901436 499926253 /nfs/dbraw/zinc/92/62/53/499926253.db2.gz NEOVEYDKANBUQQ-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000415914029 499928069 /nfs/dbraw/zinc/92/80/69/499928069.db2.gz UBTKEYWRHSUKQO-XLIONFOSSA-N 1 3 366.509 3.438 20 0 FGADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000415933707 499930303 /nfs/dbraw/zinc/93/03/03/499930303.db2.gz QJAHTMJTEFPHBT-HXUWFJFHSA-N 1 3 370.497 3.229 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415943012 499931531 /nfs/dbraw/zinc/93/15/31/499931531.db2.gz LERHIIBZHOLSBU-HXUWFJFHSA-N 1 3 352.482 3.144 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)CC(C)C ZINC000415949449 499932324 /nfs/dbraw/zinc/93/23/24/499932324.db2.gz BUHPBELLMZPVQU-INIZCTEOSA-N 1 3 364.509 3.349 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415961363 499933949 /nfs/dbraw/zinc/93/39/49/499933949.db2.gz RBXPLNXHJRAMLY-MRXNPFEDSA-N 1 3 362.493 3.248 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415961363 499933951 /nfs/dbraw/zinc/93/39/51/499933951.db2.gz RBXPLNXHJRAMLY-MRXNPFEDSA-N 1 3 362.493 3.248 20 0 FGADHO CN(Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963562 499934451 /nfs/dbraw/zinc/93/44/51/499934451.db2.gz VFYITHPVNCCTQV-FQEVSTJZSA-N 1 3 352.482 3.177 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972289 499935667 /nfs/dbraw/zinc/93/56/67/499935667.db2.gz HZIFPYRLEGSAKP-JXFKEZNVSA-N 1 3 352.482 3.177 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415975733 499936154 /nfs/dbraw/zinc/93/61/54/499936154.db2.gz UNYIWCBPASMSKW-UHFFFAOYSA-N 1 3 358.408 3.158 20 0 FGADHO C[C@H](CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000415977595 499936440 /nfs/dbraw/zinc/93/64/40/499936440.db2.gz WTQZPBIGTBLAPX-GFCCVEGCSA-N 1 3 358.408 3.018 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979604 499936889 /nfs/dbraw/zinc/93/68/89/499936889.db2.gz DTCFKCOEYYGFDT-JXFKEZNVSA-N 1 3 352.482 3.048 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000415984167 499937530 /nfs/dbraw/zinc/93/75/30/499937530.db2.gz OYCCYUJDRGJDKT-JXFKEZNVSA-N 1 3 352.482 3.191 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000415989914 499938433 /nfs/dbraw/zinc/93/84/33/499938433.db2.gz MBOHWFVDFVCKTF-UHFFFAOYSA-N 1 3 366.509 3.235 20 0 FGADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996947 499939136 /nfs/dbraw/zinc/93/91/36/499939136.db2.gz OLJZXAMSHJMILF-GOSISDBHSA-N 1 3 364.493 3.276 20 0 FGADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996947 499939138 /nfs/dbraw/zinc/93/91/38/499939138.db2.gz OLJZXAMSHJMILF-GOSISDBHSA-N 1 3 364.493 3.276 20 0 FGADHO CN(C)Cc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000417063204 499961617 /nfs/dbraw/zinc/96/16/17/499961617.db2.gz IBBKMVYPTBAJME-HXUWFJFHSA-N 1 3 354.498 3.028 20 0 FGADHO CN(C)[C@@H](CC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000416211367 499982441 /nfs/dbraw/zinc/98/24/41/499982441.db2.gz AUQKOCYRFFKAFH-NRFANRHFSA-N 1 3 353.510 3.100 20 0 FGADHO CN(C)C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000416235219 499989154 /nfs/dbraw/zinc/98/91/54/499989154.db2.gz SGDDTSQWNLFKJB-WOJBJXKFSA-N 1 3 357.473 3.238 20 0 FGADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992880 /nfs/dbraw/zinc/99/28/80/499992880.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 1 3 366.505 3.121 20 0 FGADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992884 /nfs/dbraw/zinc/99/28/84/499992884.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 1 3 366.505 3.121 20 0 FGADHO CC1CCN([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417220962 500009397 /nfs/dbraw/zinc/00/93/97/500009397.db2.gz ZHJPTJMFERSJJE-SFTDATJTSA-N 1 3 372.557 3.291 20 0 FGADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000570451453 506170200 /nfs/dbraw/zinc/17/02/00/506170200.db2.gz MTJGFVZNMYVOSQ-XJUOHMSHSA-N 1 3 369.553 3.356 20 0 FGADHO CC[NH+]1CCC(N2CCCN(Cc3cc4c(cccc4F)[nH]3)CC2)CC1 ZINC000421376488 500031139 /nfs/dbraw/zinc/03/11/39/500031139.db2.gz QNOJTKWQOVAYPA-UHFFFAOYSA-N 1 3 358.505 3.299 20 0 FGADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417336433 500043430 /nfs/dbraw/zinc/04/34/30/500043430.db2.gz VLEHLWWJTPZFCA-OAQYLSRUSA-N 1 3 372.557 3.203 20 0 FGADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000429336922 500054894 /nfs/dbraw/zinc/05/48/94/500054894.db2.gz WYBKBEPCQIOHRJ-SFHVURJKSA-N 1 3 367.468 3.322 20 0 FGADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417393437 500059075 /nfs/dbraw/zinc/05/90/75/500059075.db2.gz QKCFIBDJNMWZSY-HXUWFJFHSA-N 1 3 360.546 3.231 20 0 FGADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463261 500112808 /nfs/dbraw/zinc/11/28/08/500112808.db2.gz VXUZQQYCWTVWQW-LJQANCHMSA-N 1 3 351.579 3.466 20 0 FGADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463261 500112810 /nfs/dbraw/zinc/11/28/10/500112810.db2.gz VXUZQQYCWTVWQW-LJQANCHMSA-N 1 3 351.579 3.466 20 0 FGADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416833021 500133030 /nfs/dbraw/zinc/13/30/30/500133030.db2.gz QVYAQYOYMUQYPS-FQEVSTJZSA-N 1 3 354.498 3.012 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000416845416 500136749 /nfs/dbraw/zinc/13/67/49/500136749.db2.gz RRZCPDNDIFNFKP-SFTDATJTSA-N 1 3 366.509 3.040 20 0 FGADHO COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000414082476 500149138 /nfs/dbraw/zinc/14/91/38/500149138.db2.gz VDAOWAAUYDWVJG-QGZVFWFLSA-N 1 3 369.509 3.146 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421824549 500160139 /nfs/dbraw/zinc/16/01/39/500160139.db2.gz JHVVXVGSQDZNAA-HOTGVXAUSA-N 1 3 353.938 3.273 20 0 FGADHO CON1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421869847 500166917 /nfs/dbraw/zinc/16/69/17/500166917.db2.gz DRWMGXBKPMXVNK-CEMLEFRQSA-N 1 3 357.542 3.293 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000416985620 500175757 /nfs/dbraw/zinc/17/57/57/500175757.db2.gz YUWXTERNROJYLV-OAQYLSRUSA-N 1 3 372.557 3.166 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000417002037 500180865 /nfs/dbraw/zinc/18/08/65/500180865.db2.gz FPUJGIAIVMDMGE-MSOLQXFVSA-N 1 3 360.527 3.130 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837479 500181389 /nfs/dbraw/zinc/18/13/89/500181389.db2.gz MKWAUYMQIVSMSR-NQIIRXRSSA-N 1 3 372.557 3.071 20 0 FGADHO CCN(CC)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000417011364 500183442 /nfs/dbraw/zinc/18/34/42/500183442.db2.gz RSKGZMVJPZDXQR-LJQANCHMSA-N 1 3 372.538 3.234 20 0 FGADHO CN1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950162 500202834 /nfs/dbraw/zinc/20/28/34/500202834.db2.gz VVXYHDUDNBCINY-ACRUOGEOSA-N 1 3 366.509 3.211 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430244197 500214681 /nfs/dbraw/zinc/21/46/81/500214681.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 1 3 372.557 3.167 20 0 FGADHO CC(C)N1CCCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430244197 500214683 /nfs/dbraw/zinc/21/46/83/500214683.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 1 3 372.557 3.167 20 0 FGADHO COc1cc(OC)cc(Oc2ccc(C[N@H+]3C[C@H]4CN(C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221359 /nfs/dbraw/zinc/22/13/59/500221359.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 1 3 368.477 3.490 20 0 FGADHO COc1cc(OC)cc(Oc2ccc(C[N@@H+]3C[C@H]4CN(C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221361 /nfs/dbraw/zinc/22/13/61/500221361.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 1 3 368.477 3.490 20 0 FGADHO C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418160222 500239506 /nfs/dbraw/zinc/23/95/06/500239506.db2.gz BDKIRJMKHSHQGR-NQIIRXRSSA-N 1 3 368.525 3.238 20 0 FGADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N(C)C ZINC000418186468 500244843 /nfs/dbraw/zinc/24/48/43/500244843.db2.gz RYRMMLXCMHUZMO-PXCRPINLSA-N 1 3 372.557 3.017 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418198228 500247778 /nfs/dbraw/zinc/24/77/78/500247778.db2.gz UYODJDVQMYCNHB-UIFIKXQLSA-N 1 3 374.573 3.114 20 0 FGADHO CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418308493 500260572 /nfs/dbraw/zinc/26/05/72/500260572.db2.gz BTNCTBOGGKXYQN-RTWAWAEBSA-N 1 3 372.557 3.072 20 0 FGADHO C[NH2+]CCNC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418318923 500261929 /nfs/dbraw/zinc/26/19/29/500261929.db2.gz QBWTYPJDSRNSQX-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000418354373 500267641 /nfs/dbraw/zinc/26/76/41/500267641.db2.gz OJEXOULQWFLONP-WOJBJXKFSA-N 1 3 360.546 3.326 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000418354373 500267644 /nfs/dbraw/zinc/26/76/44/500267644.db2.gz OJEXOULQWFLONP-WOJBJXKFSA-N 1 3 360.546 3.326 20 0 FGADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418359539 500268043 /nfs/dbraw/zinc/26/80/43/500268043.db2.gz JILFYFWKPARIIH-HXUWFJFHSA-N 1 3 360.546 3.187 20 0 FGADHO [NH3+]CC1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCCC1 ZINC000430705585 500272625 /nfs/dbraw/zinc/27/26/25/500272625.db2.gz LGWLAPVTHSKINY-NRFANRHFSA-N 1 3 355.526 3.020 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418407838 500273077 /nfs/dbraw/zinc/27/30/77/500273077.db2.gz MDCVTXZCUDKRMQ-WLRLJWMZSA-N 1 3 372.557 3.198 20 0 FGADHO CC(C)([NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418410861 500273406 /nfs/dbraw/zinc/27/34/06/500273406.db2.gz DEPJDSMEDJMGRV-LJQANCHMSA-N 1 3 372.557 3.056 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)cc1 ZINC000418485360 500282784 /nfs/dbraw/zinc/28/27/84/500282784.db2.gz HCNAWHGQFJRXFD-QGZVFWFLSA-N 1 3 368.525 3.416 20 0 FGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640708 500285522 /nfs/dbraw/zinc/28/55/22/500285522.db2.gz VVVPNGQWUXXJDM-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1CN ZINC000422640708 500285525 /nfs/dbraw/zinc/28/55/25/500285525.db2.gz VVVPNGQWUXXJDM-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1CN ZINC000422640708 500285527 /nfs/dbraw/zinc/28/55/27/500285527.db2.gz VVVPNGQWUXXJDM-RDBSUJKOSA-N 1 3 368.319 3.083 20 0 FGADHO COC[C@@H](CCC[NH3+])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000422715714 500289083 /nfs/dbraw/zinc/28/90/83/500289083.db2.gz MLPYAEXCMWOQLH-QUCCMNQESA-N 1 3 370.472 3.260 20 0 FGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422720098 500290280 /nfs/dbraw/zinc/29/02/80/500290280.db2.gz ZNWYTFLHGJCIBJ-KMFMINBZSA-N 1 3 352.320 3.006 20 0 FGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422737320 500292666 /nfs/dbraw/zinc/29/26/66/500292666.db2.gz XHSDADFALMGBJD-ICSRJNTNSA-N 1 3 367.497 3.010 20 0 FGADHO CN(C)Cc1cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746274 500294017 /nfs/dbraw/zinc/29/40/17/500294017.db2.gz NOZZTTJKSZXAAH-IFMALSPDSA-N 1 3 369.484 3.233 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422758797 500294500 /nfs/dbraw/zinc/29/45/00/500294500.db2.gz JDELKGWMJOVBDI-INIZCTEOSA-N 1 3 366.509 3.052 20 0 FGADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760337 500294943 /nfs/dbraw/zinc/29/49/43/500294943.db2.gz LVGLBPWIGAXSFA-YSFYHYPLSA-N 1 3 357.542 3.342 20 0 FGADHO CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)Cc1cccc(Br)c1 ZINC000422761406 500295358 /nfs/dbraw/zinc/29/53/58/500295358.db2.gz RFIHJPXLAOUVTQ-IDCJVQTKSA-N 1 3 369.347 3.360 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418640641 500299412 /nfs/dbraw/zinc/29/94/12/500299412.db2.gz RBYHFKQSQQZVET-NRFANRHFSA-N 1 3 372.557 3.027 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418640641 500299413 /nfs/dbraw/zinc/29/94/13/500299413.db2.gz RBYHFKQSQQZVET-NRFANRHFSA-N 1 3 372.557 3.027 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809066 500300743 /nfs/dbraw/zinc/30/07/43/500300743.db2.gz RFLAQHKQPWFGAH-HRAATJIYSA-N 1 3 351.494 3.473 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000422811111 500301437 /nfs/dbraw/zinc/30/14/37/500301437.db2.gz OKIPEBZQDUNAPE-WTOYTKOKSA-N 1 3 365.521 3.091 20 0 FGADHO [NH3+]CCC[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000418655661 500301902 /nfs/dbraw/zinc/30/19/02/500301902.db2.gz CTIUNXPCEOTITE-HXUWFJFHSA-N 1 3 358.530 3.127 20 0 FGADHO CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418663377 500304139 /nfs/dbraw/zinc/30/41/39/500304139.db2.gz GQKFRHJRLPQKQX-SFHLNBCPSA-N 1 3 372.557 3.058 20 0 FGADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418687762 500307977 /nfs/dbraw/zinc/30/79/77/500307977.db2.gz AIJTWMKAXBHSJC-NRFANRHFSA-N 1 3 368.525 3.068 20 0 FGADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418701387 500309532 /nfs/dbraw/zinc/30/95/32/500309532.db2.gz GGYQOPLZRFZDJF-MOPGFXCFSA-N 1 3 368.525 3.066 20 0 FGADHO CCc1nc(CN2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)cs1 ZINC000422915123 500316067 /nfs/dbraw/zinc/31/60/67/500316067.db2.gz XERJXBJOAIBIQV-YJBOKZPZSA-N 1 3 350.576 3.038 20 0 FGADHO CCc1nc(CN2CCC(CN[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422915123 500316070 /nfs/dbraw/zinc/31/60/70/500316070.db2.gz XERJXBJOAIBIQV-YJBOKZPZSA-N 1 3 350.576 3.038 20 0 FGADHO C[C@@H](NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422949888 500322477 /nfs/dbraw/zinc/32/24/77/500322477.db2.gz UWGCSIAVELIDRO-RKVPGOIHSA-N 1 3 366.347 3.396 20 0 FGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422952590 500322647 /nfs/dbraw/zinc/32/26/47/500322647.db2.gz BKYQSVJXOFDSLM-DYESRHJHSA-N 1 3 372.557 3.041 20 0 FGADHO Brc1ccc(N2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422951741 500322896 /nfs/dbraw/zinc/32/28/96/500322896.db2.gz ZZTLKRXQYXQZBE-JTUUTPGSSA-N 1 3 364.331 3.148 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000431017508 500324316 /nfs/dbraw/zinc/32/43/16/500324316.db2.gz QNSXLQCUOSDXHN-UXHICEINSA-N 1 3 372.557 3.373 20 0 FGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422983859 500326929 /nfs/dbraw/zinc/32/69/29/500326929.db2.gz VLQQGHORRQCFDN-LBPRGKRZSA-N 1 3 371.872 3.445 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040944 500327517 /nfs/dbraw/zinc/32/75/17/500327517.db2.gz PVTFRVTVYSUHQO-ZWKOTPCHSA-N 1 3 365.521 3.481 20 0 FGADHO FC(F)(F)c1cccnc1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423001163 500329687 /nfs/dbraw/zinc/32/96/87/500329687.db2.gz WTSXSUDASPSNHD-VNQPRFMTSA-N 1 3 357.420 3.380 20 0 FGADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000423015557 500331156 /nfs/dbraw/zinc/33/11/56/500331156.db2.gz ADBQIPVQTODZQL-JCGIZDLHSA-N 1 3 352.881 3.257 20 0 FGADHO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)cc2)cc1 ZINC000423015091 500331167 /nfs/dbraw/zinc/33/11/67/500331167.db2.gz QKCFILFBAOJGQJ-WQTXXOFMSA-N 1 3 370.493 3.372 20 0 FGADHO COc1ccc(Oc2ccc(CCN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)cc1 ZINC000423015091 500331168 /nfs/dbraw/zinc/33/11/68/500331168.db2.gz QKCFILFBAOJGQJ-WQTXXOFMSA-N 1 3 370.493 3.372 20 0 FGADHO C[C@H](CCC[NH3+])NCc1cc(Br)ccc1Br ZINC000423051290 500335645 /nfs/dbraw/zinc/33/56/45/500335645.db2.gz MZLCIUWEHUHSRU-SECBINFHSA-N 1 3 350.098 3.429 20 0 FGADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423077884 500339113 /nfs/dbraw/zinc/33/91/13/500339113.db2.gz NDCDVHCUXWCOIT-OAGGEKHMSA-N 1 3 357.420 3.380 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(Br)s2)CCC1 ZINC000423102802 500342543 /nfs/dbraw/zinc/34/25/43/500342543.db2.gz KOIHDYYGKPXVOT-RWMBFGLXSA-N 1 3 373.360 3.274 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423102802 500342546 /nfs/dbraw/zinc/34/25/46/500342546.db2.gz KOIHDYYGKPXVOT-RWMBFGLXSA-N 1 3 373.360 3.274 20 0 FGADHO Fc1ccc(-c2cn3c(n2)CC[C@@H](NC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c(F)c1 ZINC000423157491 500349715 /nfs/dbraw/zinc/34/97/15/500349715.db2.gz VFXZWIHCCHACMD-IUOOZAAYSA-N 1 3 358.436 3.016 20 0 FGADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000423162968 500349793 /nfs/dbraw/zinc/34/97/93/500349793.db2.gz LXYNMOWWSOGCTE-NWSQWKLXSA-N 1 3 366.505 3.052 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCNCc1cccnc1 ZINC000423187785 500353187 /nfs/dbraw/zinc/35/31/87/500353187.db2.gz MTMMUADAGLRAJO-DENIHFKCSA-N 1 3 352.526 3.062 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N(CC)CC)cc1 ZINC000431281414 500358688 /nfs/dbraw/zinc/35/86/88/500358688.db2.gz FNMQVXGKHMAONW-UIFIKXQLSA-N 1 3 374.573 3.414 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(CC)CC)cc1 ZINC000431281414 500358691 /nfs/dbraw/zinc/35/86/91/500358691.db2.gz FNMQVXGKHMAONW-UIFIKXQLSA-N 1 3 374.573 3.414 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC)CC2)N(CC)CC)cc1 ZINC000431286281 500359093 /nfs/dbraw/zinc/35/90/93/500359093.db2.gz XPTIFFBHBMQAFG-NRFANRHFSA-N 1 3 374.573 3.415 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419378547 500359386 /nfs/dbraw/zinc/35/93/86/500359386.db2.gz VUNAFDSGINCCRM-AKHDSKFASA-N 1 3 357.542 3.132 20 0 FGADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419378547 500359388 /nfs/dbraw/zinc/35/93/88/500359388.db2.gz VUNAFDSGINCCRM-AKHDSKFASA-N 1 3 357.542 3.132 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423294761 500362562 /nfs/dbraw/zinc/36/25/62/500362562.db2.gz VFYZZUYKVIWJBB-CABCVRRESA-N 1 3 361.511 3.319 20 0 FGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423334263 500364878 /nfs/dbraw/zinc/36/48/78/500364878.db2.gz SMYFFZZFYAFWMG-INIZCTEOSA-N 1 3 350.466 3.445 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000423356495 500366701 /nfs/dbraw/zinc/36/67/01/500366701.db2.gz JYPIZLSPXGYVFX-JKSUJKDBSA-N 1 3 357.523 3.410 20 0 FGADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423378224 500369198 /nfs/dbraw/zinc/36/91/98/500369198.db2.gz WGKJKROMOWUVFW-KCXAZCMYSA-N 1 3 372.294 3.472 20 0 FGADHO COCC1(CN[C@@H](C)c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000423413700 500372517 /nfs/dbraw/zinc/37/25/17/500372517.db2.gz ZRIAIFCXHLWVAB-LBPRGKRZSA-N 1 3 359.283 3.255 20 0 FGADHO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCCN(C)C)c1 ZINC000423529642 500383220 /nfs/dbraw/zinc/38/32/20/500383220.db2.gz QEKCWMINWKDTQD-WZCXMZMXSA-N 1 3 371.569 3.431 20 0 FGADHO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)c(C)c1OC ZINC000423536669 500383812 /nfs/dbraw/zinc/38/38/12/500383812.db2.gz ZWBXMENRAULKAC-UIAACRFSSA-N 1 3 354.494 3.288 20 0 FGADHO C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)C1CC[NH2+]CC1 ZINC000423745763 500398097 /nfs/dbraw/zinc/39/80/97/500398097.db2.gz MUFHWFMWDPYMLH-IBGZPJMESA-N 1 3 359.558 3.035 20 0 FGADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000431649408 500403061 /nfs/dbraw/zinc/40/30/61/500403061.db2.gz OQIMNGOGWVWQRQ-UHFFFAOYSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423841896 500410574 /nfs/dbraw/zinc/41/05/74/500410574.db2.gz GKTYLVZRKLNNDP-OXJNMPFZSA-N 1 3 358.530 3.021 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295911 500436168 /nfs/dbraw/zinc/43/61/68/500436168.db2.gz BDHJYWAKRQIPAR-NRFANRHFSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000420295911 500436170 /nfs/dbraw/zinc/43/61/70/500436170.db2.gz BDHJYWAKRQIPAR-NRFANRHFSA-N 1 3 368.521 3.461 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299920 500436548 /nfs/dbraw/zinc/43/65/48/500436548.db2.gz JRPUGBVJZBACER-DENIHFKCSA-N 1 3 354.494 3.109 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299920 500436550 /nfs/dbraw/zinc/43/65/50/500436550.db2.gz JRPUGBVJZBACER-DENIHFKCSA-N 1 3 354.494 3.109 20 0 FGADHO CC(C)(C)c1cccc(OCCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329810 500442429 /nfs/dbraw/zinc/44/24/29/500442429.db2.gz PAFABPPJWQFSQE-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420329810 500442431 /nfs/dbraw/zinc/44/24/31/500442431.db2.gz PAFABPPJWQFSQE-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO CC(C)(C)c1cccc(OCCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420329810 500442433 /nfs/dbraw/zinc/44/24/33/500442433.db2.gz PAFABPPJWQFSQE-IBGZPJMESA-N 1 3 360.542 3.440 20 0 FGADHO COc1ccc([C@@H](C[NH3+])CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412098 500457299 /nfs/dbraw/zinc/45/72/99/500457299.db2.gz SBTHXRJAZKSNKB-PGRDOPGGSA-N 1 3 368.477 3.250 20 0 FGADHO COc1ccc([C@@H](CN)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000420412098 500457303 /nfs/dbraw/zinc/45/73/03/500457303.db2.gz SBTHXRJAZKSNKB-PGRDOPGGSA-N 1 3 368.477 3.250 20 0 FGADHO CC(C)[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285734 500481136 /nfs/dbraw/zinc/48/11/36/500481136.db2.gz GIFMMWCIRHHNJC-JXFKEZNVSA-N 1 3 361.505 3.103 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(I)c1 ZINC000424370916 500493294 /nfs/dbraw/zinc/49/32/94/500493294.db2.gz FCKZTCWUSWLVKO-CUOATXAZSA-N 1 3 362.230 3.351 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800757 500504638 /nfs/dbraw/zinc/50/46/38/500504638.db2.gz JRYAQFGDCQWWMM-WYNBGMTASA-N 1 3 372.557 3.069 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420813657 500507995 /nfs/dbraw/zinc/50/79/95/500507995.db2.gz YMLPVOGKYTVSBG-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420813657 500507998 /nfs/dbraw/zinc/50/79/98/500507998.db2.gz YMLPVOGKYTVSBG-NQIIRXRSSA-N 1 3 372.557 3.297 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853214 500515922 /nfs/dbraw/zinc/51/59/22/500515922.db2.gz XWVDKICXVLPMHN-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853214 500515926 /nfs/dbraw/zinc/51/59/26/500515926.db2.gz XWVDKICXVLPMHN-LEWJYISDSA-N 1 3 372.557 3.024 20 0 FGADHO CSc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000576631396 506202630 /nfs/dbraw/zinc/20/26/30/506202630.db2.gz NZMQUJYHLHHTFF-SJORKVTESA-N 1 3 352.544 3.002 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000442605027 500603917 /nfs/dbraw/zinc/60/39/17/500603917.db2.gz CGBCDRYJVLVHOV-UHFFFAOYSA-N 1 3 364.578 3.205 20 0 FGADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442877762 500638608 /nfs/dbraw/zinc/63/86/08/500638608.db2.gz RTIABAZEAWDXNV-HNNXBMFYSA-N 1 3 357.464 3.252 20 0 FGADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880697 500638875 /nfs/dbraw/zinc/63/88/75/500638875.db2.gz XVSQVHVCTYFCMD-AWEZNQCLSA-N 1 3 354.336 3.126 20 0 FGADHO COc1ccc(CN(C)CC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000447736833 500655546 /nfs/dbraw/zinc/65/55/46/500655546.db2.gz ACWOSZNOXACFAY-UHFFFAOYSA-N 1 3 369.509 3.443 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@@H](CC[NH3+])C1 ZINC000443054782 500669640 /nfs/dbraw/zinc/66/96/40/500669640.db2.gz AEJUAKIJNCFECX-KSZLIROESA-N 1 3 357.542 3.192 20 0 FGADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443054790 500669787 /nfs/dbraw/zinc/66/97/87/500669787.db2.gz AEOWYGDTVSUUBV-MOPGFXCFSA-N 1 3 365.521 3.342 20 0 FGADHO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[C@H](CC[NH3+])C1 ZINC000443068989 500674488 /nfs/dbraw/zinc/67/44/88/500674488.db2.gz JCZYCQUZCPRHJL-RCCFBDPRSA-N 1 3 353.510 3.466 20 0 FGADHO [NH3+]CCC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000573563378 506212616 /nfs/dbraw/zinc/21/26/16/506212616.db2.gz YLXBKBPMBQTGDQ-QFIPXVFZSA-N 1 3 365.521 3.495 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973891 500699163 /nfs/dbraw/zinc/69/91/63/500699163.db2.gz CBAHPIMEQGXQSQ-FQEVSTJZSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000443230251 500699488 /nfs/dbraw/zinc/69/94/88/500699488.db2.gz DEUQNDOUZAZNOR-GOSISDBHSA-N 1 3 374.573 3.448 20 0 FGADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000448235572 500737052 /nfs/dbraw/zinc/73/70/52/500737052.db2.gz YUQMQFADIXRUHY-DYESRHJHSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)C1 ZINC000448235572 500737056 /nfs/dbraw/zinc/73/70/56/500737056.db2.gz YUQMQFADIXRUHY-DYESRHJHSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439311835 500883952 /nfs/dbraw/zinc/88/39/52/500883952.db2.gz ZJPSJWMPKPAWKR-IAGOWNOFSA-N 1 3 366.575 3.084 20 0 FGADHO C[NH+](C)CCC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449013195 500896622 /nfs/dbraw/zinc/89/66/22/500896622.db2.gz BKGYTGLOXKJROT-UHFFFAOYSA-N 1 3 365.949 3.340 20 0 FGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087307 500921514 /nfs/dbraw/zinc/92/15/14/500921514.db2.gz FTKNRMQKYLHJQW-HNNXBMFYSA-N 1 3 352.544 3.046 20 0 FGADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449087307 500921518 /nfs/dbraw/zinc/92/15/18/500921518.db2.gz FTKNRMQKYLHJQW-HNNXBMFYSA-N 1 3 352.544 3.046 20 0 FGADHO COc1cccc2c(CNC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cccc12 ZINC000449193352 500945026 /nfs/dbraw/zinc/94/50/26/500945026.db2.gz SDBWWGCHWSPJMQ-RTWAWAEBSA-N 1 3 354.494 3.316 20 0 FGADHO COc1cccc2c(CNC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cccc12 ZINC000449193354 500945223 /nfs/dbraw/zinc/94/52/23/500945223.db2.gz SDBWWGCHWSPJMQ-SFTDATJTSA-N 1 3 354.494 3.316 20 0 FGADHO C[C@H](CCN1CCOCC1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449225396 500951782 /nfs/dbraw/zinc/95/17/82/500951782.db2.gz OIIQPEUPVFTWQP-GOSISDBHSA-N 1 3 353.595 3.366 20 0 FGADHO C[C@@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247388 500959974 /nfs/dbraw/zinc/95/99/74/500959974.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO C[C@@H](NC(=O)NCCN1CCCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247388 500959975 /nfs/dbraw/zinc/95/99/75/500959975.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 1 3 364.578 3.061 20 0 FGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383898 500964369 /nfs/dbraw/zinc/96/43/69/500964369.db2.gz JUWFIWIUEJMKBC-YUXAGFNASA-N 1 3 373.504 3.494 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(CN3CCC(C[NH3+])CC3)c2)cc1 ZINC000435385186 500965349 /nfs/dbraw/zinc/96/53/49/500965349.db2.gz QQZLUUFHZJDZJN-UHFFFAOYSA-N 1 3 353.466 3.118 20 0 FGADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(C[NH3+])CC2)c1 ZINC000435391916 500966824 /nfs/dbraw/zinc/96/68/24/500966824.db2.gz YOCHVOYONBWEFH-UHFFFAOYSA-N 1 3 356.514 3.484 20 0 FGADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449291856 500968459 /nfs/dbraw/zinc/96/84/59/500968459.db2.gz OCRXBWSOGUIBBL-KRWDZBQOSA-N 1 3 366.509 3.225 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115663 500976749 /nfs/dbraw/zinc/97/67/49/500976749.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 1 3 355.526 3.345 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115663 500976753 /nfs/dbraw/zinc/97/67/53/500976753.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 1 3 355.526 3.345 20 0 FGADHO COc1cc2ccccc2cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000449323649 500977770 /nfs/dbraw/zinc/97/77/70/500977770.db2.gz AEKDETPLPYSLSB-UHFFFAOYSA-N 1 3 355.526 3.306 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000449491491 501016097 /nfs/dbraw/zinc/01/60/97/501016097.db2.gz HCCWTKQUPVYVAK-UGKGYDQZSA-N 1 3 359.558 3.466 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000449491491 501016099 /nfs/dbraw/zinc/01/60/99/501016099.db2.gz HCCWTKQUPVYVAK-UGKGYDQZSA-N 1 3 359.558 3.466 20 0 FGADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020196 /nfs/dbraw/zinc/02/01/96/501020196.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 1 3 357.542 3.070 20 0 FGADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020199 /nfs/dbraw/zinc/02/01/99/501020199.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 1 3 357.542 3.070 20 0 FGADHO FC(F)(F)c1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000440817946 501052235 /nfs/dbraw/zinc/05/22/35/501052235.db2.gz IEWPZPDQNZFHKB-UHFFFAOYSA-N 1 3 352.404 3.430 20 0 FGADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000446266010 501096452 /nfs/dbraw/zinc/09/64/52/501096452.db2.gz SXAXUZIXMYPJEG-KNKQGSTJSA-N 1 3 371.525 3.144 20 0 FGADHO CN1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1(C)C ZINC000441383493 501131531 /nfs/dbraw/zinc/13/15/31/501131531.db2.gz MDVVNYHAINGMNT-UHFFFAOYSA-N 1 3 367.537 3.381 20 0 FGADHO Fc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1CN1CC[C@]2(CCOC2)C1 ZINC000450484852 501133883 /nfs/dbraw/zinc/13/38/83/501133883.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 1 3 374.500 3.051 20 0 FGADHO Fc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1CN1CC[C@]2(CCOC2)C1 ZINC000450484852 501133886 /nfs/dbraw/zinc/13/38/86/501133886.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 1 3 374.500 3.051 20 0 FGADHO CC(C)[C@H](COCc1ccccc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446837299 501170457 /nfs/dbraw/zinc/17/04/57/501170457.db2.gz WPIHAZSPAVSYBD-UNMCSNQZSA-N 1 3 360.542 3.318 20 0 FGADHO COc1ccc2c(c1)C[C@H](NC1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000453098887 501268129 /nfs/dbraw/zinc/26/81/29/501268129.db2.gz XJURXHZAXOROOZ-NRFANRHFSA-N 1 3 366.505 3.295 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457632423 501272486 /nfs/dbraw/zinc/27/24/86/501272486.db2.gz FQPXQZZCUOLAGC-OAQYLSRUSA-N 1 3 372.557 3.084 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457632423 501272490 /nfs/dbraw/zinc/27/24/90/501272490.db2.gz FQPXQZZCUOLAGC-OAQYLSRUSA-N 1 3 372.557 3.084 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CO2 ZINC000453195341 501288822 /nfs/dbraw/zinc/28/88/22/501288822.db2.gz JNTMFTKKPMCOQG-CUWPLCDZSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195341 501288824 /nfs/dbraw/zinc/28/88/24/501288824.db2.gz JNTMFTKKPMCOQG-CUWPLCDZSA-N 1 3 366.505 3.499 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccsc1 ZINC000457695582 501289157 /nfs/dbraw/zinc/28/91/57/501289157.db2.gz VDMGPXCVKIVVLN-QZTJIDSGSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000457695582 501289161 /nfs/dbraw/zinc/28/91/61/501289161.db2.gz VDMGPXCVKIVVLN-QZTJIDSGSA-N 1 3 366.575 3.255 20 0 FGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000453254634 501300840 /nfs/dbraw/zinc/30/08/40/501300840.db2.gz PJPKYSDLQCPVOZ-PZJWPPBQSA-N 1 3 360.542 3.462 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000457800926 501311626 /nfs/dbraw/zinc/31/16/26/501311626.db2.gz XXEGZOGKPHUUPI-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000457800926 501311628 /nfs/dbraw/zinc/31/16/28/501311628.db2.gz XXEGZOGKPHUUPI-ROUUACIJSA-N 1 3 364.578 3.155 20 0 FGADHO CNC(=O)C[C@@H](C)N[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000453386337 501323523 /nfs/dbraw/zinc/32/35/23/501323523.db2.gz VECIOQNBZRTFAU-YLJYHZDGSA-N 1 3 363.521 3.493 20 0 FGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933687 501338182 /nfs/dbraw/zinc/33/81/82/501338182.db2.gz QLRNTULQIKSEMQ-HKUYNNGSSA-N 1 3 360.546 3.242 20 0 FGADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000611659890 506247044 /nfs/dbraw/zinc/24/70/44/506247044.db2.gz QJRMCVFHYUYJMF-UHFFFAOYSA-N 1 3 360.546 3.024 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134070 501377528 /nfs/dbraw/zinc/37/75/28/501377528.db2.gz HSSYSTILSKRQMI-SFTDATJTSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N2CCCC2)cc1 ZINC000458134070 501377529 /nfs/dbraw/zinc/37/75/29/501377529.db2.gz HSSYSTILSKRQMI-SFTDATJTSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@@H](C)CCC2(C)C)CC1 ZINC000452017800 501419379 /nfs/dbraw/zinc/41/93/79/501419379.db2.gz XLVIXMXBQINNFU-SFHVURJKSA-N 1 3 357.542 3.339 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522834 501465729 /nfs/dbraw/zinc/46/57/29/501465729.db2.gz YKYZSWDDSBZITK-ICSRJNTNSA-N 1 3 372.557 3.071 20 0 FGADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665703 501502816 /nfs/dbraw/zinc/50/28/16/501502816.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 1 3 372.557 3.021 20 0 FGADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000458665703 501502820 /nfs/dbraw/zinc/50/28/20/501502820.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 1 3 372.557 3.021 20 0 FGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000454457446 501550047 /nfs/dbraw/zinc/55/00/47/501550047.db2.gz OTDOAGHFBVOZBL-OKZBNKHCSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454527929 501569762 /nfs/dbraw/zinc/56/97/62/501569762.db2.gz VVMZEVFFWBSSEI-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454527929 501569766 /nfs/dbraw/zinc/56/97/66/501569766.db2.gz VVMZEVFFWBSSEI-GOSISDBHSA-N 1 3 372.557 3.386 20 0 FGADHO CC(C)OC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017199 501602229 /nfs/dbraw/zinc/60/22/29/501602229.db2.gz MSKUJJQPIKZQAF-YADHBBJMSA-N 1 3 374.569 3.395 20 0 FGADHO CC(C)OC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453017199 501602232 /nfs/dbraw/zinc/60/22/32/501602232.db2.gz MSKUJJQPIKZQAF-YADHBBJMSA-N 1 3 374.569 3.395 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000457457445 501701898 /nfs/dbraw/zinc/70/18/98/501701898.db2.gz NROKTAIHGSYTQO-RBBKRZOGSA-N 1 3 372.557 3.197 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457445 501701900 /nfs/dbraw/zinc/70/19/00/501701900.db2.gz NROKTAIHGSYTQO-RBBKRZOGSA-N 1 3 372.557 3.197 20 0 FGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Br)cc3c2OCC3)C1 ZINC000459772306 501712047 /nfs/dbraw/zinc/71/20/47/501712047.db2.gz IKGHOHVKLPKKSL-ZDUSSCGKSA-N 1 3 353.304 3.206 20 0 FGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Br)cc3c2OCC3)C1 ZINC000459772306 501712048 /nfs/dbraw/zinc/71/20/48/501712048.db2.gz IKGHOHVKLPKKSL-ZDUSSCGKSA-N 1 3 353.304 3.206 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761648 /nfs/dbraw/zinc/76/16/48/501761648.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 1 3 361.505 3.027 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761652 /nfs/dbraw/zinc/76/16/52/501761652.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 1 3 361.505 3.027 20 0 FGADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000485234101 501764715 /nfs/dbraw/zinc/76/47/15/501764715.db2.gz IYRPTQFRKJJTLF-CLAROIROSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234101 501764721 /nfs/dbraw/zinc/76/47/21/501764721.db2.gz IYRPTQFRKJJTLF-CLAROIROSA-N 1 3 369.553 3.278 20 0 FGADHO CCC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234101 501764724 /nfs/dbraw/zinc/76/47/24/501764724.db2.gz IYRPTQFRKJJTLF-CLAROIROSA-N 1 3 369.553 3.278 20 0 FGADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757936 501793110 /nfs/dbraw/zinc/79/31/10/501793110.db2.gz VYTCZLSGHHEZMY-XZOQPEGZSA-N 1 3 370.537 3.176 20 0 FGADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000481531391 501804980 /nfs/dbraw/zinc/80/49/80/501804980.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 1 3 357.542 3.204 20 0 FGADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000481531391 501804983 /nfs/dbraw/zinc/80/49/83/501804983.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 1 3 357.542 3.204 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477919214 501828804 /nfs/dbraw/zinc/82/88/04/501828804.db2.gz KIBASVQBMNLKOD-FQEVSTJZSA-N 1 3 371.529 3.130 20 0 FGADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000460465543 501829853 /nfs/dbraw/zinc/82/98/53/501829853.db2.gz FWAKRPAAQGMAQE-RBUKOAKNSA-N 1 3 352.567 3.157 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+]CCCc3ccc(C)nc3)cc2)CC1 ZINC000474462934 501845041 /nfs/dbraw/zinc/84/50/41/501845041.db2.gz ADLFIUYWXKNSMH-UHFFFAOYSA-N 1 3 366.553 3.250 20 0 FGADHO CC(C)[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCCCC1 ZINC000611737975 506278470 /nfs/dbraw/zinc/27/84/70/506278470.db2.gz CBYIQISVNAHTFJ-NRFANRHFSA-N 1 3 374.573 3.448 20 0 FGADHO O[C@@H](CCc1ccccc1)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470993046 501885611 /nfs/dbraw/zinc/88/56/11/501885611.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 1 3 350.506 3.044 20 0 FGADHO O[C@@H](CCc1ccccc1)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470993046 501885613 /nfs/dbraw/zinc/88/56/13/501885613.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 1 3 350.506 3.044 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629630 501900602 /nfs/dbraw/zinc/90/06/02/501900602.db2.gz NBOIHDDYNPQOMT-ZEZYUPADSA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629630 501900609 /nfs/dbraw/zinc/90/06/09/501900609.db2.gz NBOIHDDYNPQOMT-ZEZYUPADSA-N 1 3 361.505 3.104 20 0 FGADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942242 501924419 /nfs/dbraw/zinc/92/44/19/501924419.db2.gz BZTPHCUMXJNNKE-JKSUJKDBSA-N 1 3 352.544 3.394 20 0 FGADHO Fc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482111323 501977724 /nfs/dbraw/zinc/97/77/24/501977724.db2.gz AZFPOUNWOLDURK-NRFANRHFSA-N 1 3 354.473 3.010 20 0 FGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000482116882 501980420 /nfs/dbraw/zinc/98/04/20/501980420.db2.gz YKWJAZMVHMKZLH-KRWDZBQOSA-N 1 3 372.488 3.092 20 0 FGADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482130268 501983195 /nfs/dbraw/zinc/98/31/95/501983195.db2.gz UVFYRVIFWWEDSZ-JTSKRJEESA-N 1 3 368.500 3.256 20 0 FGADHO O=C(CCN1CCc2ccccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000471346283 501994423 /nfs/dbraw/zinc/99/44/23/501994423.db2.gz QPOLBQWGOKBGDK-UHFFFAOYSA-N 1 3 369.553 3.206 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285216 502016220 /nfs/dbraw/zinc/01/62/20/502016220.db2.gz JDURGPXMVDRENF-GOSISDBHSA-N 1 3 367.484 3.041 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285216 502016222 /nfs/dbraw/zinc/01/62/22/502016222.db2.gz JDURGPXMVDRENF-GOSISDBHSA-N 1 3 367.484 3.041 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000475031653 502026977 /nfs/dbraw/zinc/02/69/77/502026977.db2.gz KFBSVGOLVLSORR-DBXWQHBBSA-N 1 3 352.563 3.139 20 0 FGADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000471594212 502079335 /nfs/dbraw/zinc/07/93/35/502079335.db2.gz CBLRIDJMZPRBQL-FGTMMUONSA-N 1 3 371.525 3.304 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475168925 502089136 /nfs/dbraw/zinc/08/91/36/502089136.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475168925 502089139 /nfs/dbraw/zinc/08/91/39/502089139.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 1 3 360.546 3.023 20 0 FGADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000482549608 502107696 /nfs/dbraw/zinc/10/76/96/502107696.db2.gz AMEKFBRLKPZEFH-MRXNPFEDSA-N 1 3 356.466 3.249 20 0 FGADHO CNC(=O)c1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833951 502149117 /nfs/dbraw/zinc/14/91/17/502149117.db2.gz DCPIPHHAXPWTIM-VXKWHMMOSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cc1 ZINC000471833951 502149123 /nfs/dbraw/zinc/14/91/23/502149123.db2.gz DCPIPHHAXPWTIM-VXKWHMMOSA-N 1 3 365.521 3.218 20 0 FGADHO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cc1 ZINC000471833951 502149126 /nfs/dbraw/zinc/14/91/26/502149126.db2.gz DCPIPHHAXPWTIM-VXKWHMMOSA-N 1 3 365.521 3.218 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@H](NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000479436781 502259471 /nfs/dbraw/zinc/25/94/71/502259471.db2.gz KUGHCOFKFYCLGJ-XWIAVFTESA-N 1 3 367.331 3.119 20 0 FGADHO C[C@@H]1CCc2ccc(Br)cc2[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436781 502259473 /nfs/dbraw/zinc/25/94/73/502259473.db2.gz KUGHCOFKFYCLGJ-XWIAVFTESA-N 1 3 367.331 3.119 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000465434092 502260963 /nfs/dbraw/zinc/26/09/63/502260963.db2.gz PHJKTMIBUCFDOV-FPOVZHCZSA-N 1 3 374.573 3.443 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000465434092 502260969 /nfs/dbraw/zinc/26/09/69/502260969.db2.gz PHJKTMIBUCFDOV-FPOVZHCZSA-N 1 3 374.573 3.443 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435656 502261893 /nfs/dbraw/zinc/26/18/93/502261893.db2.gz BPUOMAHUPFSBMW-PZJWPPBQSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435656 502261898 /nfs/dbraw/zinc/26/18/98/502261898.db2.gz BPUOMAHUPFSBMW-PZJWPPBQSA-N 1 3 374.573 3.065 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000475731234 502268131 /nfs/dbraw/zinc/26/81/31/502268131.db2.gz DAXFCJYHWYKNQF-MISYRCLQSA-N 1 3 371.569 3.442 20 0 FGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311270 /nfs/dbraw/zinc/31/12/70/502311270.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 1 3 372.557 3.200 20 0 FGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311275 /nfs/dbraw/zinc/31/12/75/502311275.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 1 3 372.557 3.200 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000469138113 502311482 /nfs/dbraw/zinc/31/14/82/502311482.db2.gz QHTQZIPLPHBVBM-PZJWPPBQSA-N 1 3 372.557 3.159 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000469138113 502311487 /nfs/dbraw/zinc/31/14/87/502311487.db2.gz QHTQZIPLPHBVBM-PZJWPPBQSA-N 1 3 372.557 3.159 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000479709879 502353184 /nfs/dbraw/zinc/35/31/84/502353184.db2.gz PRFLOMNUFHACRZ-LJQANCHMSA-N 1 3 352.567 3.158 20 0 FGADHO CCCN(CCN1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000479709879 502353189 /nfs/dbraw/zinc/35/31/89/502353189.db2.gz PRFLOMNUFHACRZ-LJQANCHMSA-N 1 3 352.567 3.158 20 0 FGADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581827 502390777 /nfs/dbraw/zinc/39/07/77/502390777.db2.gz PYTFCCYRCAONGT-RTWAWAEBSA-N 1 3 365.606 3.462 20 0 FGADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581827 502390779 /nfs/dbraw/zinc/39/07/79/502390779.db2.gz PYTFCCYRCAONGT-RTWAWAEBSA-N 1 3 365.606 3.462 20 0 FGADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CCN(C)[C@H](C)C3)c2)CC1 ZINC000465929285 502430908 /nfs/dbraw/zinc/43/09/08/502430908.db2.gz DUZMLTSHIIKTIV-WIYYLYMNSA-N 1 3 372.557 3.200 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019038 502455777 /nfs/dbraw/zinc/45/57/77/502455777.db2.gz GONPCYCOVHWVDU-VQTJNVASSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019038 502455780 /nfs/dbraw/zinc/45/57/80/502455780.db2.gz GONPCYCOVHWVDU-VQTJNVASSA-N 1 3 374.573 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000466084921 502474708 /nfs/dbraw/zinc/47/47/08/502474708.db2.gz LNACSDLPCDFPOY-HSALFYBXSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000466084921 502474711 /nfs/dbraw/zinc/47/47/11/502474711.db2.gz LNACSDLPCDFPOY-HSALFYBXSA-N 1 3 364.578 3.013 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000480166068 502488639 /nfs/dbraw/zinc/48/86/39/502488639.db2.gz AVGKKEOHGDULSB-IBGZPJMESA-N 1 3 361.530 3.070 20 0 FGADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000588710599 506316487 /nfs/dbraw/zinc/31/64/87/506316487.db2.gz STZWHKQLTMIXBZ-QZTJIDSGSA-N 1 3 364.505 3.416 20 0 FGADHO Cc1cccc2c1ncc(C)c2NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000462687144 502533590 /nfs/dbraw/zinc/53/35/90/502533590.db2.gz BJHWHRBZEDYJTO-HXUWFJFHSA-N 1 3 361.489 3.452 20 0 FGADHO Cc1cccc2c1ncc(C)c2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000462687144 502533594 /nfs/dbraw/zinc/53/35/94/502533594.db2.gz BJHWHRBZEDYJTO-HXUWFJFHSA-N 1 3 361.489 3.452 20 0 FGADHO C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN(C2CCC2)C1 ZINC000487847249 502546038 /nfs/dbraw/zinc/54/60/38/502546038.db2.gz ZWSXSXCVOUFMAQ-FXAWDEMLSA-N 1 3 364.578 3.013 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000473298285 502561885 /nfs/dbraw/zinc/56/18/85/502561885.db2.gz DEOZSDCAEBAZRA-SJLPKXTDSA-N 1 3 351.560 3.243 20 0 FGADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484129083 502577085 /nfs/dbraw/zinc/57/70/85/502577085.db2.gz KRUSKVBNXBWAJC-KRWDZBQOSA-N 1 3 354.494 3.470 20 0 FGADHO O[C@@H]1CCN(Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862650 502603030 /nfs/dbraw/zinc/60/30/30/502603030.db2.gz XACSFBZOPNYWFH-JOCHJYFZSA-N 1 3 357.542 3.462 20 0 FGADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884353 502613058 /nfs/dbraw/zinc/61/30/58/502613058.db2.gz PKFCQLGMXPZSCG-HSZRJFAPSA-N 1 3 365.521 3.307 20 0 FGADHO COc1ccc2oc([C@@H](C)NCCN3CCC([NH+](C)C)CC3)c(C)c2c1 ZINC000484477477 502649608 /nfs/dbraw/zinc/64/96/08/502649608.db2.gz AQOCIKCWANXCGJ-MRXNPFEDSA-N 1 3 359.514 3.426 20 0 FGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000488240772 502667755 /nfs/dbraw/zinc/66/77/55/502667755.db2.gz IBKJQYIJBWOWFV-LJQANCHMSA-N 1 3 361.574 3.025 20 0 FGADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000463035499 502669331 /nfs/dbraw/zinc/66/93/31/502669331.db2.gz QRUKPEUTWWXQNY-LEWJYISDSA-N 1 3 359.558 3.116 20 0 FGADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258913 502718238 /nfs/dbraw/zinc/71/82/38/502718238.db2.gz UHHDCDRTKQQGIO-UXLLHSPISA-N 1 3 374.447 3.056 20 0 FGADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258913 502718242 /nfs/dbraw/zinc/71/82/42/502718242.db2.gz UHHDCDRTKQQGIO-UXLLHSPISA-N 1 3 374.447 3.056 20 0 FGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291696 502726207 /nfs/dbraw/zinc/72/62/07/502726207.db2.gz HEMQTXSSBREYJZ-HXUWFJFHSA-N 1 3 374.573 3.174 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000474006905 502777266 /nfs/dbraw/zinc/77/72/66/502777266.db2.gz PWZZXEWDCSUEHZ-QFIPXVFZSA-N 1 3 365.521 3.188 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024728 502781973 /nfs/dbraw/zinc/78/19/73/502781973.db2.gz QQRGTARVWLHTCE-NRFANRHFSA-N 1 3 359.558 3.425 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000484938896 502782015 /nfs/dbraw/zinc/78/20/15/502782015.db2.gz MIZGURGIWKVIAX-PWRODBHTSA-N 1 3 357.542 3.087 20 0 FGADHO CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000484938896 502782021 /nfs/dbraw/zinc/78/20/21/502782021.db2.gz MIZGURGIWKVIAX-PWRODBHTSA-N 1 3 357.542 3.087 20 0 FGADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000467090331 502784470 /nfs/dbraw/zinc/78/44/70/502784470.db2.gz HIHKUITXXMHLAX-UHFFFAOYSA-N 1 3 374.573 3.054 20 0 FGADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCC(F)(F)CC1 ZINC000474048978 502789744 /nfs/dbraw/zinc/78/97/44/502789744.db2.gz YZRZIIRJZSOMNF-OAHLLOKOSA-N 1 3 367.484 3.282 20 0 FGADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000500816108 502869498 /nfs/dbraw/zinc/86/94/98/502869498.db2.gz WWPBHHHVMJINHL-ROUUACIJSA-N 1 3 352.567 3.013 20 0 FGADHO CN1CCC[C@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195721 502874505 /nfs/dbraw/zinc/87/45/05/502874505.db2.gz GRMRHISHZWNLQR-ROUUACIJSA-N 1 3 356.432 3.481 20 0 FGADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000505343930 502891040 /nfs/dbraw/zinc/89/10/40/502891040.db2.gz NBXXNHRFWOFVPF-TZIWHRDSSA-N 1 3 359.558 3.445 20 0 FGADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343930 502891041 /nfs/dbraw/zinc/89/10/41/502891041.db2.gz NBXXNHRFWOFVPF-TZIWHRDSSA-N 1 3 359.558 3.445 20 0 FGADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025616 502914659 /nfs/dbraw/zinc/91/46/59/502914659.db2.gz ZKGGZFJGCSZWJR-GUDVDZBRSA-N 1 3 372.557 3.123 20 0 FGADHO Cc1cccc(C)c1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049601 502922459 /nfs/dbraw/zinc/92/24/59/502922459.db2.gz CFHDTRHZQKFNEU-UHFFFAOYSA-N 1 3 366.509 3.485 20 0 FGADHO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]2C ZINC000501051811 502923198 /nfs/dbraw/zinc/92/31/98/502923198.db2.gz LMOPCIDHVQPBTP-OALUTQOASA-N 1 3 359.558 3.419 20 0 FGADHO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]2C ZINC000501051811 502923202 /nfs/dbraw/zinc/92/32/02/502923202.db2.gz LMOPCIDHVQPBTP-OALUTQOASA-N 1 3 359.558 3.419 20 0 FGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063145 502925840 /nfs/dbraw/zinc/92/58/40/502925840.db2.gz GFZZFNHEBJMCOR-KNQAVFIVSA-N 1 3 359.558 3.494 20 0 FGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCN2CCN(C(C)C)CC2)c1 ZINC000501063145 502925842 /nfs/dbraw/zinc/92/58/42/502925842.db2.gz GFZZFNHEBJMCOR-KNQAVFIVSA-N 1 3 359.558 3.494 20 0 FGADHO C/C=C\c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000497393886 502947247 /nfs/dbraw/zinc/94/72/47/502947247.db2.gz UBZXDYDEYKYWSC-ARJAWSKDSA-N 1 3 356.514 3.400 20 0 FGADHO C[N@@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H](c2ccccc2)C1 ZINC000497400850 502949837 /nfs/dbraw/zinc/94/98/37/502949837.db2.gz JTZLQWONDVPXKM-VXKWHMMOSA-N 1 3 372.472 3.075 20 0 FGADHO C[N@H+]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H](c2ccccc2)C1 ZINC000497400850 502949839 /nfs/dbraw/zinc/94/98/39/502949839.db2.gz JTZLQWONDVPXKM-VXKWHMMOSA-N 1 3 372.472 3.075 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513486730 502950150 /nfs/dbraw/zinc/95/01/50/502950150.db2.gz WZSYLDYAQGJMOX-CTNGQTDRSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513486730 502950154 /nfs/dbraw/zinc/95/01/54/502950154.db2.gz WZSYLDYAQGJMOX-CTNGQTDRSA-N 1 3 357.542 3.422 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683321 502966277 /nfs/dbraw/zinc/96/62/77/502966277.db2.gz ZMNWVOYZMJHSJM-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683321 502966278 /nfs/dbraw/zinc/96/62/78/502966278.db2.gz ZMNWVOYZMJHSJM-QGZVFWFLSA-N 1 3 351.922 3.137 20 0 FGADHO Cc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc(C)c1O ZINC000513647658 502990047 /nfs/dbraw/zinc/99/00/47/502990047.db2.gz JNQLDTYGSIKZMM-UHFFFAOYSA-N 1 3 353.510 3.046 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1csc2ccccc12 ZINC000505808428 502990953 /nfs/dbraw/zinc/99/09/53/502990953.db2.gz XKSCPWUVOINKTQ-GOSISDBHSA-N 1 3 373.566 3.318 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1csc2ccccc12 ZINC000505808428 502990956 /nfs/dbraw/zinc/99/09/56/502990956.db2.gz XKSCPWUVOINKTQ-GOSISDBHSA-N 1 3 373.566 3.318 20 0 FGADHO CCC[NH+]1CCN(c2ccccc2CN(CCO)Cc2ccccc2)CC1 ZINC000505875767 503003291 /nfs/dbraw/zinc/00/32/91/503003291.db2.gz ARYDJIHIZVLFHZ-UHFFFAOYSA-N 1 3 367.537 3.213 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501488891 503019249 /nfs/dbraw/zinc/01/92/49/503019249.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 1 3 366.594 3.307 20 0 FGADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501488891 503019254 /nfs/dbraw/zinc/01/92/54/503019254.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 1 3 366.594 3.307 20 0 FGADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCCC[C@H]1C ZINC000501490216 503019662 /nfs/dbraw/zinc/01/96/62/503019662.db2.gz JOAYXPKQEQRDAH-RTBURBONSA-N 1 3 352.567 3.061 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCCC[C@H]1C ZINC000501546278 503034300 /nfs/dbraw/zinc/03/43/00/503034300.db2.gz NBENNHYAALMOGI-GOSISDBHSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000501718878 503066189 /nfs/dbraw/zinc/06/61/89/503066189.db2.gz PMUABDHJYVLCGQ-PMACEKPBSA-N 1 3 374.573 3.128 20 0 FGADHO CCC1(CNC(=O)[C@H](C(C)C)N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514039255 503074161 /nfs/dbraw/zinc/07/41/61/503074161.db2.gz GLVHFXRTLKMGSS-FQEVSTJZSA-N 1 3 359.558 3.381 20 0 FGADHO [NH3+]CCCN(Cc1ccccc1OCC(=O)N1CCCC1)CC1CCCC1 ZINC000489964199 503076949 /nfs/dbraw/zinc/07/69/49/503076949.db2.gz HOQYQYPPPSURMB-UHFFFAOYSA-N 1 3 373.541 3.029 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000506267026 503082560 /nfs/dbraw/zinc/08/25/60/503082560.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 1 3 357.542 3.422 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000506267026 503082565 /nfs/dbraw/zinc/08/25/65/503082565.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 1 3 357.542 3.422 20 0 FGADHO CC(C)[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCC(C)CC1 ZINC000510345959 503095862 /nfs/dbraw/zinc/09/58/62/503095862.db2.gz IRFGPXREVRWVQC-IBGZPJMESA-N 1 3 364.578 3.013 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000490167193 503121122 /nfs/dbraw/zinc/12/11/22/503121122.db2.gz GWVCZDAJVUUSNC-RXVVDRJESA-N 1 3 372.557 3.213 20 0 FGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000490216228 503133155 /nfs/dbraw/zinc/13/31/55/503133155.db2.gz KHJVJMFCQDZNTB-FUHWJXTLSA-N 1 3 364.534 3.273 20 0 FGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000510739228 503182541 /nfs/dbraw/zinc/18/25/41/503182541.db2.gz XKKVQKYTYXJYLW-MRXNPFEDSA-N 1 3 365.512 3.434 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000510741728 503183885 /nfs/dbraw/zinc/18/38/85/503183885.db2.gz PCALGJSEZURHBV-RTBURBONSA-N 1 3 369.553 3.096 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741728 503183887 /nfs/dbraw/zinc/18/38/87/503183887.db2.gz PCALGJSEZURHBV-RTBURBONSA-N 1 3 369.553 3.096 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706253 503255473 /nfs/dbraw/zinc/25/54/73/503255473.db2.gz FTWNWCPKWRHKHX-FCHUYYIVSA-N 1 3 359.558 3.119 20 0 FGADHO C[C@H]1CCN(C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839096 503284999 /nfs/dbraw/zinc/28/49/99/503284999.db2.gz MWAOSISFPJVSPH-IBGZPJMESA-N 1 3 372.557 3.298 20 0 FGADHO c1cnn(Cc2ccccc2CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000515232751 503298666 /nfs/dbraw/zinc/29/86/66/503298666.db2.gz NJNCWRJQJCXYEE-JTHBVZDNSA-N 1 3 374.488 3.277 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000502911205 503305632 /nfs/dbraw/zinc/30/56/32/503305632.db2.gz GCGBXBWOKKGJBP-RBUKOAKNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000502911205 503305636 /nfs/dbraw/zinc/30/56/36/503305636.db2.gz GCGBXBWOKKGJBP-RBUKOAKNSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515294262 503307614 /nfs/dbraw/zinc/30/76/14/503307614.db2.gz JBOSSAIGYORCNU-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000515294262 503307621 /nfs/dbraw/zinc/30/76/21/503307621.db2.gz JBOSSAIGYORCNU-TZIWHRDSSA-N 1 3 372.557 3.387 20 0 FGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330484 /nfs/dbraw/zinc/33/04/84/503330484.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330489 /nfs/dbraw/zinc/33/04/89/503330489.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000503038355 503331543 /nfs/dbraw/zinc/33/15/43/503331543.db2.gz KMACFHGLWBKHNO-ZWKOTPCHSA-N 1 3 360.546 3.147 20 0 FGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNC/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929253 503417754 /nfs/dbraw/zinc/41/77/54/503417754.db2.gz ZJPSEACYZWIMKX-RTLBZRNLSA-N 1 3 358.432 3.334 20 0 FGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNC/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929253 503417758 /nfs/dbraw/zinc/41/77/58/503417758.db2.gz ZJPSEACYZWIMKX-RTLBZRNLSA-N 1 3 358.432 3.334 20 0 FGADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409878 503425967 /nfs/dbraw/zinc/42/59/67/503425967.db2.gz CPIDDQXQHALFBQ-GOSISDBHSA-N 1 3 358.530 3.273 20 0 FGADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000493851878 503449961 /nfs/dbraw/zinc/44/99/61/503449961.db2.gz XKYIRLZBWDNZIR-QHAWAJNXSA-N 1 3 358.526 3.107 20 0 FGADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1Cc1ccccc1 ZINC000494068576 503482754 /nfs/dbraw/zinc/48/27/54/503482754.db2.gz IPQMOTRXIDFPPZ-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(Br)cc1 ZINC000499913890 503510227 /nfs/dbraw/zinc/51/02/27/503510227.db2.gz QIDFPNBWTWZSKY-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(Br)cc1 ZINC000499913890 503510229 /nfs/dbraw/zinc/51/02/29/503510229.db2.gz QIDFPNBWTWZSKY-UHFFFAOYSA-N 1 3 368.319 3.195 20 0 FGADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000516479704 503517432 /nfs/dbraw/zinc/51/74/32/503517432.db2.gz ULWYRZROQNWVCE-IAGOWNOFSA-N 1 3 353.510 3.466 20 0 FGADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000516490617 503519868 /nfs/dbraw/zinc/51/98/68/503519868.db2.gz LBBFOUFOWPSYTF-OAQYLSRUSA-N 1 3 357.542 3.450 20 0 FGADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537130 503529682 /nfs/dbraw/zinc/52/96/82/503529682.db2.gz PGEFGHQWKIMWOF-IBGZPJMESA-N 1 3 364.578 3.203 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422847 503545560 /nfs/dbraw/zinc/54/55/60/503545560.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN(C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422847 503545562 /nfs/dbraw/zinc/54/55/62/503545562.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H](N[C@@H](C)[C@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713417 503549891 /nfs/dbraw/zinc/54/98/91/503549891.db2.gz FTJPGKQVEJWJIM-IYRWYFENSA-N 1 3 352.522 3.479 20 0 FGADHO C[C@@H](N[C@@H](C)[C@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713417 503549895 /nfs/dbraw/zinc/54/98/95/503549895.db2.gz FTJPGKQVEJWJIM-IYRWYFENSA-N 1 3 352.522 3.479 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)C ZINC000500130646 503561663 /nfs/dbraw/zinc/56/16/63/503561663.db2.gz KSEYJUOXYLWTNU-YXUAKONQSA-N 1 3 374.573 3.406 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000516689230 503569862 /nfs/dbraw/zinc/56/98/62/503569862.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000516689230 503569865 /nfs/dbraw/zinc/56/98/65/503569865.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 1 3 372.557 3.024 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000508849430 503576690 /nfs/dbraw/zinc/57/66/90/503576690.db2.gz BTTUVBLZRJOGQG-HNJRGHQBSA-N 1 3 360.546 3.192 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000508849430 503576694 /nfs/dbraw/zinc/57/66/94/503576694.db2.gz BTTUVBLZRJOGQG-HNJRGHQBSA-N 1 3 360.546 3.192 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccccc1Br)C2 ZINC000512560246 503583911 /nfs/dbraw/zinc/58/39/11/503583911.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 1 3 353.304 3.385 20 0 FGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccccc1Br)C2 ZINC000512560246 503583912 /nfs/dbraw/zinc/58/39/12/503583912.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 1 3 353.304 3.385 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)C ZINC000508898123 503593253 /nfs/dbraw/zinc/59/32/53/503593253.db2.gz KLOJCLRDLPNJBV-NQIIRXRSSA-N 1 3 374.573 3.360 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N(C)C ZINC000508899185 503594233 /nfs/dbraw/zinc/59/42/33/503594233.db2.gz OAMCJBNROYZAHY-SBHAEUEKSA-N 1 3 372.557 3.256 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508905450 503596305 /nfs/dbraw/zinc/59/63/05/503596305.db2.gz KXSAPUOXNAFUGD-ICSRJNTNSA-N 1 3 360.546 3.195 20 0 FGADHO O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512654076 503603575 /nfs/dbraw/zinc/60/35/75/503603575.db2.gz JCFCNSNEWXKXNJ-FDFHNCONSA-N 1 3 369.553 3.279 20 0 FGADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000516916966 503617747 /nfs/dbraw/zinc/61/77/47/503617747.db2.gz PZWOLSGUJJFMEL-QUCCMNQESA-N 1 3 360.546 3.012 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000536666708 503668503 /nfs/dbraw/zinc/66/85/03/503668503.db2.gz RTWUOPKHAQEDGO-WIYYLYMNSA-N 1 3 371.569 3.248 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000536666708 503668512 /nfs/dbraw/zinc/66/85/12/503668512.db2.gz RTWUOPKHAQEDGO-WIYYLYMNSA-N 1 3 371.569 3.248 20 0 FGADHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000536675964 503675005 /nfs/dbraw/zinc/67/50/05/503675005.db2.gz GEAWVSMKIZMODC-UHFFFAOYSA-N 1 3 369.509 3.203 20 0 FGADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000536675242 503675136 /nfs/dbraw/zinc/67/51/36/503675136.db2.gz HKLWCJHNWMNEGU-UHFFFAOYSA-N 1 3 370.541 3.091 20 0 FGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405469 503757451 /nfs/dbraw/zinc/75/74/51/503757451.db2.gz XINKYULUWROKSN-DGQTTZFYSA-N 1 3 357.542 3.298 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829586 /nfs/dbraw/zinc/82/95/86/503829586.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 1 3 357.542 3.292 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829591 /nfs/dbraw/zinc/82/95/91/503829591.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 1 3 357.542 3.292 20 0 FGADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194839 503836648 /nfs/dbraw/zinc/83/66/48/503836648.db2.gz LBBTZHRRCPBFMO-SFTDATJTSA-N 1 3 357.542 3.485 20 0 FGADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194839 503836653 /nfs/dbraw/zinc/83/66/53/503836653.db2.gz LBBTZHRRCPBFMO-SFTDATJTSA-N 1 3 357.542 3.485 20 0 FGADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000527636233 503868656 /nfs/dbraw/zinc/86/86/56/503868656.db2.gz ROJXUIRHZRZCGJ-TZIWHRDSSA-N 1 3 357.542 3.087 20 0 FGADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000527636233 503868667 /nfs/dbraw/zinc/86/86/67/503868667.db2.gz ROJXUIRHZRZCGJ-TZIWHRDSSA-N 1 3 357.542 3.087 20 0 FGADHO CCN1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527641664 503872286 /nfs/dbraw/zinc/87/22/86/503872286.db2.gz UXVLIZCLIXBOAT-LLVKDONJSA-N 1 3 369.332 3.332 20 0 FGADHO c1ccc(Oc2cccnc2)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239321 503888148 /nfs/dbraw/zinc/88/81/48/503888148.db2.gz FEGLXEGIJRYAKX-HXUWFJFHSA-N 1 3 367.493 3.464 20 0 FGADHO Cc1ccc2c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1C ZINC000530240138 503889716 /nfs/dbraw/zinc/88/97/16/503889716.db2.gz KWKLJMBNVAXGFX-LJQANCHMSA-N 1 3 370.493 3.000 20 0 FGADHO Clc1cc2cccnc2c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239993 503889772 /nfs/dbraw/zinc/88/97/72/503889772.db2.gz JAORFLPLLCBVFT-LJQANCHMSA-N 1 3 359.901 3.479 20 0 FGADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000533913237 503987301 /nfs/dbraw/zinc/98/73/01/503987301.db2.gz OEDDBIOVDNVPBP-PMACEKPBSA-N 1 3 360.546 3.240 20 0 FGADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000541059471 503990242 /nfs/dbraw/zinc/99/02/42/503990242.db2.gz IZKVACJZQHIBJE-HXUWFJFHSA-N 1 3 355.570 3.282 20 0 FGADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CC=CCC1 ZINC000544112241 504011885 /nfs/dbraw/zinc/01/18/85/504011885.db2.gz WOHDSTGSUOOMJV-HXUWFJFHSA-N 1 3 355.526 3.187 20 0 FGADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N2CCCCC2)CC1)CC(C)C ZINC000537999185 504106601 /nfs/dbraw/zinc/10/66/01/504106601.db2.gz XTJCHHJKLZJZEI-LJQANCHMSA-N 1 3 351.579 3.467 20 0 FGADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N2CCCCC2)CC1)CC(C)C ZINC000537999185 504106606 /nfs/dbraw/zinc/10/66/06/504106606.db2.gz XTJCHHJKLZJZEI-LJQANCHMSA-N 1 3 351.579 3.467 20 0 FGADHO CC(C)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098194 504132844 /nfs/dbraw/zinc/13/28/44/504132844.db2.gz CODQWDGUCRWJJF-WMZOPIPTSA-N 1 3 351.922 3.214 20 0 FGADHO CC(C)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098194 504132847 /nfs/dbraw/zinc/13/28/47/504132847.db2.gz CODQWDGUCRWJJF-WMZOPIPTSA-N 1 3 351.922 3.214 20 0 FGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000528285435 504147257 /nfs/dbraw/zinc/14/72/57/504147257.db2.gz JCXHYIJCWKSVEY-NRFANRHFSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356825 504200947 /nfs/dbraw/zinc/20/09/47/504200947.db2.gz XEBSXIABUMKZFM-NRSPTQNISA-N 1 3 370.541 3.092 20 0 FGADHO CC1CC[NH+](Cc2ccc(CNC(=O)C34CCCN3CCC4)cc2)CC1 ZINC000547754641 504212975 /nfs/dbraw/zinc/21/29/75/504212975.db2.gz OFZGSCIULREZCF-UHFFFAOYSA-N 1 3 355.526 3.163 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000519443226 504221573 /nfs/dbraw/zinc/22/15/73/504221573.db2.gz IAZFRTLVBWJQET-HOJAQTOUSA-N 1 3 350.547 3.347 20 0 FGADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1(C)C ZINC000538394175 504233380 /nfs/dbraw/zinc/23/33/80/504233380.db2.gz QALOGUUPVLDUSP-WOJBJXKFSA-N 1 3 365.606 3.366 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526549 504261359 /nfs/dbraw/zinc/26/13/59/504261359.db2.gz JSRXFZPXABWCNA-OAQYLSRUSA-N 1 3 363.521 3.005 20 0 FGADHO CCN1CCC([N@H+]2CCCN(C[C@@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526549 504261360 /nfs/dbraw/zinc/26/13/60/504261360.db2.gz JSRXFZPXABWCNA-OAQYLSRUSA-N 1 3 363.521 3.005 20 0 FGADHO CC[NH+]1CCC(N2CCCN(C[C@@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526549 504261362 /nfs/dbraw/zinc/26/13/62/504261362.db2.gz JSRXFZPXABWCNA-OAQYLSRUSA-N 1 3 363.521 3.005 20 0 FGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814582 504350525 /nfs/dbraw/zinc/35/05/25/504350525.db2.gz GGVGWDABVCPQST-AWEZNQCLSA-N 1 3 372.456 3.169 20 0 FGADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(OCCN(C)C)cc2)o1 ZINC000520215209 504436911 /nfs/dbraw/zinc/43/69/11/504436911.db2.gz OZPBZUHNZROYTB-UHFFFAOYSA-N 1 3 368.481 3.251 20 0 FGADHO CC[N@H+](CCC1CCN(CCn2c(C)csc2=O)CC1)CC(C)C ZINC000539099261 504471488 /nfs/dbraw/zinc/47/14/88/504471488.db2.gz VTZOCDRYGARQDS-UHFFFAOYSA-N 1 3 353.576 3.298 20 0 FGADHO CC[N@@H+](CCC1CCN(CCn2c(C)csc2=O)CC1)CC(C)C ZINC000539099261 504471494 /nfs/dbraw/zinc/47/14/94/504471494.db2.gz VTZOCDRYGARQDS-UHFFFAOYSA-N 1 3 353.576 3.298 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937454 504480670 /nfs/dbraw/zinc/48/06/70/504480670.db2.gz ASLGLAXJORVKID-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937454 504480675 /nfs/dbraw/zinc/48/06/75/504480675.db2.gz ASLGLAXJORVKID-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937454 504480679 /nfs/dbraw/zinc/48/06/79/504480679.db2.gz ASLGLAXJORVKID-SIKLNZKXSA-N 1 3 370.541 3.158 20 0 FGADHO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc(OCCN(C)C)c1 ZINC000531952479 504485203 /nfs/dbraw/zinc/48/52/03/504485203.db2.gz IUNAJPQUJGQPML-KRWDZBQOSA-N 1 3 352.482 3.328 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534091 /nfs/dbraw/zinc/53/40/91/504534091.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 1 3 372.557 3.242 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534096 /nfs/dbraw/zinc/53/40/96/504534096.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 1 3 372.557 3.242 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574917 /nfs/dbraw/zinc/57/49/17/504574917.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574922 /nfs/dbraw/zinc/57/49/22/504574922.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 1 3 372.557 3.384 20 0 FGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](C)CC[NH+](C)C ZINC000532218684 504576520 /nfs/dbraw/zinc/57/65/20/504576520.db2.gz JKZQOIIHUCBIFA-QWHCGFSZSA-N 1 3 356.308 3.096 20 0 FGADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000520877054 504601052 /nfs/dbraw/zinc/60/10/52/504601052.db2.gz HUKQGJLROPCPDJ-FPOVZHCZSA-N 1 3 372.557 3.071 20 0 FGADHO C[NH+](C)CCCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000539852165 504718527 /nfs/dbraw/zinc/71/85/27/504718527.db2.gz GNXBMYHKPMFRFW-UHFFFAOYSA-N 1 3 370.497 3.359 20 0 FGADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1N(C)C ZINC000539857523 504719843 /nfs/dbraw/zinc/71/98/43/504719843.db2.gz IAWPDNZVIYXXLH-IBGZPJMESA-N 1 3 367.541 3.011 20 0 FGADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000529565919 504730121 /nfs/dbraw/zinc/73/01/21/504730121.db2.gz MJVZKISNMAVBCG-UHFFFAOYSA-N 1 3 373.463 3.172 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761300 /nfs/dbraw/zinc/76/13/00/504761300.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 1 3 357.542 3.007 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761301 /nfs/dbraw/zinc/76/13/01/504761301.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 1 3 357.542 3.007 20 0 FGADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000521602948 504763166 /nfs/dbraw/zinc/76/31/66/504763166.db2.gz KVESLDJYBUWUMA-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@@H]3C(C)C)CC2)CC1 ZINC000565202764 504825548 /nfs/dbraw/zinc/82/55/48/504825548.db2.gz BJEWTZFTHFPVSE-FQEVSTJZSA-N 1 3 361.574 3.220 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000553365204 504894538 /nfs/dbraw/zinc/89/45/38/504894538.db2.gz UBCIDJMYCMIJIO-NRFANRHFSA-N 1 3 373.516 3.126 20 0 FGADHO CN(C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861087 504920102 /nfs/dbraw/zinc/92/01/02/504920102.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 1 3 356.485 3.183 20 0 FGADHO CN(C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861087 504920107 /nfs/dbraw/zinc/92/01/07/504920107.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 1 3 356.485 3.183 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000553492677 504931188 /nfs/dbraw/zinc/93/11/88/504931188.db2.gz GXPZZGKDLYSTGU-AVRDEDQJSA-N 1 3 369.553 3.402 20 0 FGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652270 504949491 /nfs/dbraw/zinc/94/94/91/504949491.db2.gz DKCKBMVHJAZSPQ-KBPBESRZSA-N 1 3 361.313 3.055 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000565683846 504957560 /nfs/dbraw/zinc/95/75/60/504957560.db2.gz ONXZIDZQPVDZGH-WIYYLYMNSA-N 1 3 374.573 3.441 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705085 504964254 /nfs/dbraw/zinc/96/42/54/504964254.db2.gz FULKMLNGRYOQQU-ZWKOTPCHSA-N 1 3 370.541 3.451 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000565705085 504964258 /nfs/dbraw/zinc/96/42/58/504964258.db2.gz FULKMLNGRYOQQU-ZWKOTPCHSA-N 1 3 370.541 3.451 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(C)(C)CC2)CC1 ZINC000550148767 504978169 /nfs/dbraw/zinc/97/81/69/504978169.db2.gz XPNARWZLKCTLCH-UHFFFAOYSA-N 1 3 357.542 3.198 20 0 FGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000556869027 505001431 /nfs/dbraw/zinc/00/14/31/505001431.db2.gz DHFWNOMSBWDWNF-INIZCTEOSA-N 1 3 365.512 3.434 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1n1cccn1 ZINC000550326315 505023330 /nfs/dbraw/zinc/02/33/30/505023330.db2.gz YSMXJOOHKIGCPW-VOFPXKNKSA-N 1 3 368.525 3.244 20 0 FGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1n1cccn1 ZINC000550326315 505023335 /nfs/dbraw/zinc/02/33/35/505023335.db2.gz YSMXJOOHKIGCPW-VOFPXKNKSA-N 1 3 368.525 3.244 20 0 FGADHO CN1CCC(O)(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000566076836 505073593 /nfs/dbraw/zinc/07/35/93/505073593.db2.gz AJUUQWYIWALMJA-UHFFFAOYSA-N 1 3 368.525 3.212 20 0 FGADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000554087408 505085548 /nfs/dbraw/zinc/08/55/48/505085548.db2.gz AUKZFTCWSZDSJC-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000554087408 505085552 /nfs/dbraw/zinc/08/55/52/505085552.db2.gz AUKZFTCWSZDSJC-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000554087408 505085557 /nfs/dbraw/zinc/08/55/57/505085557.db2.gz AUKZFTCWSZDSJC-WZYRSQIMSA-N 1 3 350.506 3.090 20 0 FGADHO CCc1cc(N2CCC([NH+](CCOC)CCOC)CC2)c2ccccc2n1 ZINC000563245313 505086683 /nfs/dbraw/zinc/08/66/83/505086683.db2.gz OWHGNCFGAYSTKC-UHFFFAOYSA-N 1 3 371.525 3.361 20 0 FGADHO CN(CCCN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C)Cc1ccncc1 ZINC000563262477 505090795 /nfs/dbraw/zinc/09/07/95/505090795.db2.gz OIBNVPHPEHVHSQ-NRFANRHFSA-N 1 3 368.525 3.055 20 0 FGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000557224076 505095866 /nfs/dbraw/zinc/09/58/66/505095866.db2.gz ZNVSVGRVHYKUFI-HBGVWJBISA-N 1 3 366.509 3.108 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000560530250 505116681 /nfs/dbraw/zinc/11/66/81/505116681.db2.gz PGQIAXOUHYTHJY-SDADXPQNSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000560530250 505116682 /nfs/dbraw/zinc/11/66/82/505116682.db2.gz PGQIAXOUHYTHJY-SDADXPQNSA-N 1 3 373.324 3.196 20 0 FGADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000560530250 505116683 /nfs/dbraw/zinc/11/66/83/505116683.db2.gz PGQIAXOUHYTHJY-SDADXPQNSA-N 1 3 373.324 3.196 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(Br)c(Br)c1 ZINC000566230189 505118884 /nfs/dbraw/zinc/11/88/84/505118884.db2.gz PSETYADXVLSGDC-DTWKUNHWSA-N 1 3 350.098 3.427 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087647 505154961 /nfs/dbraw/zinc/15/49/61/505154961.db2.gz VNXVQLPEMFGLPP-WBADGQHESA-N 1 3 371.569 3.179 20 0 FGADHO C[C@@H](OC[C@H](O)C[NH2+]C1CC(N2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556282 505205094 /nfs/dbraw/zinc/20/50/94/505205094.db2.gz JXBZIQDJDRVUQV-BTWUCOSQSA-N 1 3 366.933 3.385 20 0 FGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779020 505235574 /nfs/dbraw/zinc/23/55/74/505235574.db2.gz HDNBPNWIDHNEBP-AWEZNQCLSA-N 1 3 358.448 3.107 20 0 FGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000563779020 505235579 /nfs/dbraw/zinc/23/55/79/505235579.db2.gz HDNBPNWIDHNEBP-AWEZNQCLSA-N 1 3 358.448 3.107 20 0 FGADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021113 505287982 /nfs/dbraw/zinc/28/79/82/505287982.db2.gz CZZWEMWNVARLGG-FIKGOQFSSA-N 1 3 364.493 3.049 20 0 FGADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H](C)C1 ZINC000558021113 505287984 /nfs/dbraw/zinc/28/79/84/505287984.db2.gz CZZWEMWNVARLGG-FIKGOQFSSA-N 1 3 364.493 3.049 20 0 FGADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000558083693 505303498 /nfs/dbraw/zinc/30/34/98/505303498.db2.gz KPLIMWOHNJJDLS-QZTJIDSGSA-N 1 3 368.562 3.177 20 0 FGADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)Cc1ccc(F)cc1 ZINC000564078950 505319833 /nfs/dbraw/zinc/31/98/33/505319833.db2.gz XXBMPEJDNABIPN-LJQANCHMSA-N 1 3 362.514 3.292 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(C)ccc4C3)CC2)CC1 ZINC000567247545 505407866 /nfs/dbraw/zinc/40/78/66/505407866.db2.gz KCPGMGIWGNASMC-UHFFFAOYSA-N 1 3 369.553 3.076 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000564548677 505449799 /nfs/dbraw/zinc/44/97/99/505449799.db2.gz LZBQGTDFXMTWAA-IHPCNDPISA-N 1 3 358.530 3.043 20 0 FGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000564560214 505453832 /nfs/dbraw/zinc/45/38/32/505453832.db2.gz USZUDVIAKPMCMY-IWMITWMQSA-N 1 3 352.478 3.130 20 0 FGADHO CN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564716858 505501126 /nfs/dbraw/zinc/50/11/26/505501126.db2.gz LUBLHGWVCXEKRU-JGUMPVPUSA-N 1 3 366.509 3.106 20 0 FGADHO CN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564716858 505501128 /nfs/dbraw/zinc/50/11/28/505501128.db2.gz LUBLHGWVCXEKRU-JGUMPVPUSA-N 1 3 366.509 3.106 20 0 FGADHO c1cn(Cc2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)cn1 ZINC000567642317 505522778 /nfs/dbraw/zinc/52/27/78/505522778.db2.gz GUTAMADXAYRNND-GMAHTHKFSA-N 1 3 374.488 3.277 20 0 FGADHO CN(C)[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)c1ccc(Cl)cc1 ZINC000558931751 505532891 /nfs/dbraw/zinc/53/28/91/505532891.db2.gz CNISHPPWXXSWBI-IBGZPJMESA-N 1 3 359.901 3.434 20 0 FGADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccc(Cl)cc1 ZINC000567680076 505534360 /nfs/dbraw/zinc/53/43/60/505534360.db2.gz OQEVWDSCFIFEKI-HXUWFJFHSA-N 1 3 374.912 3.465 20 0 FGADHO CC(C)(C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000567700763 505541489 /nfs/dbraw/zinc/54/14/89/505541489.db2.gz QPQHOAGNDFRIGH-MRXNPFEDSA-N 1 3 358.448 3.320 20 0 FGADHO C[NH+](C)CCOc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000608060100 506400073 /nfs/dbraw/zinc/40/00/73/506400073.db2.gz QGJCHNNIWHJDJR-UHFFFAOYSA-N 1 3 354.494 3.423 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357724 506524346 /nfs/dbraw/zinc/52/43/46/506524346.db2.gz GELDYTBPCUQUDF-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000608357724 506524350 /nfs/dbraw/zinc/52/43/50/506524350.db2.gz GELDYTBPCUQUDF-CTNGQTDRSA-N 1 3 357.542 3.279 20 0 FGADHO CCC(CC)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCCC1 ZINC000612338806 506534008 /nfs/dbraw/zinc/53/40/08/506534008.db2.gz NLPURXURKUSYFO-MJGOQNOKSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000583091205 506584638 /nfs/dbraw/zinc/58/46/38/506584638.db2.gz LJNCFBCJTWEYAB-GHTZIAJQSA-N 1 3 365.521 3.313 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673413 506659342 /nfs/dbraw/zinc/65/93/42/506659342.db2.gz OLSDHCQQXHGOAG-FPOVZHCZSA-N 1 3 372.557 3.040 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673413 506659348 /nfs/dbraw/zinc/65/93/48/506659348.db2.gz OLSDHCQQXHGOAG-FPOVZHCZSA-N 1 3 372.557 3.040 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608671667 506659665 /nfs/dbraw/zinc/65/96/65/506659665.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608671667 506659672 /nfs/dbraw/zinc/65/96/72/506659672.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 1 3 372.557 3.023 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000590353393 506802015 /nfs/dbraw/zinc/80/20/15/506802015.db2.gz FKHOOSPCVLKPLX-UHFFFAOYSA-N 1 3 374.573 3.416 20 0 FGADHO CC1CCC(N2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000604427027 506828779 /nfs/dbraw/zinc/82/87/79/506828779.db2.gz VFJIWEPXLQKXES-UHFFFAOYSA-N 1 3 364.578 3.157 20 0 FGADHO COC(=O)Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000600186640 506830593 /nfs/dbraw/zinc/83/05/93/506830593.db2.gz GCINQAULRFDHCU-UHFFFAOYSA-N 1 3 352.478 3.156 20 0 FGADHO CCN1CCCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000600261091 506878089 /nfs/dbraw/zinc/87/80/89/506878089.db2.gz UPFLDUMKSQGYCX-IBGZPJMESA-N 1 3 373.541 3.108 20 0 FGADHO CCN1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000600261091 506878090 /nfs/dbraw/zinc/87/80/90/506878090.db2.gz UPFLDUMKSQGYCX-IBGZPJMESA-N 1 3 373.541 3.108 20 0 FGADHO C[C@H](CNCCC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000583625799 506884303 /nfs/dbraw/zinc/88/43/03/506884303.db2.gz NMCRXYKIGFGYKW-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO C[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CN1CCCC1 ZINC000583625799 506884306 /nfs/dbraw/zinc/88/43/06/506884306.db2.gz NMCRXYKIGFGYKW-CQSZACIVSA-N 1 3 368.319 3.099 20 0 FGADHO CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901476 /nfs/dbraw/zinc/90/14/76/506901476.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 1 3 363.505 3.000 20 0 FGADHO CNC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901484 /nfs/dbraw/zinc/90/14/84/506901484.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 1 3 363.505 3.000 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613128595 506929781 /nfs/dbraw/zinc/92/97/81/506929781.db2.gz HNLXALGLGTXDAE-DENIHFKCSA-N 1 3 371.569 3.130 20 0 FGADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128595 506929789 /nfs/dbraw/zinc/92/97/89/506929789.db2.gz HNLXALGLGTXDAE-DENIHFKCSA-N 1 3 371.569 3.130 20 0 FGADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000583802318 506982918 /nfs/dbraw/zinc/98/29/18/506982918.db2.gz QKSKCKBTBVCRDT-QCFAMHMHSA-N 1 3 372.557 3.371 20 0 FGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594288929 507064742 /nfs/dbraw/zinc/06/47/42/507064742.db2.gz ZCBMTYUVXHHKRH-RTWAWAEBSA-N 1 3 370.541 3.093 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073792 /nfs/dbraw/zinc/07/37/92/507073792.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 1 3 366.594 3.403 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073799 /nfs/dbraw/zinc/07/37/99/507073799.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 1 3 366.594 3.403 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCCCC1 ZINC000591109555 507118060 /nfs/dbraw/zinc/11/80/60/507118060.db2.gz PHZPVNLKVIFDQW-OAQYLSRUSA-N 1 3 357.542 3.409 20 0 FGADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000600839476 507143065 /nfs/dbraw/zinc/14/30/65/507143065.db2.gz NWLZMBPDNXYRPA-FQEVSTJZSA-N 1 3 360.546 3.202 20 0 FGADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1I ZINC000594509450 507161647 /nfs/dbraw/zinc/16/16/47/507161647.db2.gz INKBWZDGLNMQHE-RWMBFGLXSA-N 1 3 358.267 3.282 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591554161 507289598 /nfs/dbraw/zinc/28/95/98/507289598.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 1 3 372.557 3.343 20 0 FGADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)N(C)C1CC1 ZINC000591554161 507289604 /nfs/dbraw/zinc/28/96/04/507289604.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 1 3 372.557 3.343 20 0 FGADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000591590621 507305020 /nfs/dbraw/zinc/30/50/20/507305020.db2.gz OSTYWXYNNRXLJO-LJQANCHMSA-N 1 3 352.567 3.158 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601236538 507305622 /nfs/dbraw/zinc/30/56/22/507305622.db2.gz GWBNBWJRXQLOCK-NRFANRHFSA-N 1 3 372.557 3.131 20 0 FGADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000595636291 507607916 /nfs/dbraw/zinc/60/79/16/507607916.db2.gz IPGRLGSSFORSGF-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000595636291 507607919 /nfs/dbraw/zinc/60/79/19/507607919.db2.gz IPGRLGSSFORSGF-HXUWFJFHSA-N 1 3 360.546 3.202 20 0 FGADHO c1sc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826526896 608738507 /nfs/dbraw/zinc/73/85/07/608738507.db2.gz QWONROLTNMKJLJ-UHFFFAOYSA-N 1 3 360.531 3.016 20 0 FGADHO c1sc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1-c1nn[n-]n1 ZINC000826526896 608738510 /nfs/dbraw/zinc/73/85/10/608738510.db2.gz QWONROLTNMKJLJ-UHFFFAOYSA-N 1 3 360.531 3.016 20 0 FGADHO C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877609 609133462 /nfs/dbraw/zinc/13/34/62/609133462.db2.gz ZEZIVGXMRNRQBM-BZUAXINKSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877609 609133463 /nfs/dbraw/zinc/13/34/63/609133463.db2.gz ZEZIVGXMRNRQBM-BZUAXINKSA-N 1 3 374.508 3.415 20 0 FGADHO CN(CC1CC[NH+](CCCN2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000161336767 705273204 /nfs/dbraw/zinc/27/32/04/705273204.db2.gz UYHLTQXZDHYNJC-UHFFFAOYSA-N 1 3 353.551 3.441 20 0 FGADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCC2(C)OCCO2)ccc1OC ZINC000183902145 705909633 /nfs/dbraw/zinc/90/96/33/705909633.db2.gz OQEUXOQHSHMFNX-INIZCTEOSA-N 1 3 350.503 3.341 20 0 FGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993968 713645195 /nfs/dbraw/zinc/64/51/95/713645195.db2.gz JTHSWZXYSMUMPX-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993968 713645196 /nfs/dbraw/zinc/64/51/96/713645196.db2.gz JTHSWZXYSMUMPX-KSZLIROESA-N 1 3 351.535 3.050 20 0 FGADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248436317 713649942 /nfs/dbraw/zinc/64/99/42/713649942.db2.gz GEHJFWCBNPPORL-ULQDDVLXSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248436317 713649945 /nfs/dbraw/zinc/64/99/45/713649945.db2.gz GEHJFWCBNPPORL-ULQDDVLXSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000248436317 713649948 /nfs/dbraw/zinc/64/99/48/713649948.db2.gz GEHJFWCBNPPORL-ULQDDVLXSA-N 1 3 351.535 3.238 20 0 FGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000301466925 713782228 /nfs/dbraw/zinc/78/22/28/713782228.db2.gz WMDNUBNEZFTKTJ-SQNIBIBYSA-N 1 3 353.551 3.391 20 0 FGADHO CN1CCN(CC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878679 714030879 /nfs/dbraw/zinc/03/08/79/714030879.db2.gz UJRLIUXJQFFYMM-MRXNPFEDSA-N 1 3 353.963 3.493 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000522080404 714169193 /nfs/dbraw/zinc/16/91/93/714169193.db2.gz CVEJKPCATUYZKV-ROUUACIJSA-N 1 3 364.559 3.009 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000522080404 714169195 /nfs/dbraw/zinc/16/91/95/714169195.db2.gz CVEJKPCATUYZKV-ROUUACIJSA-N 1 3 364.559 3.009 20 0 FGADHO CN1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384104 715323362 /nfs/dbraw/zinc/32/33/62/715323362.db2.gz OUWHEOIWXURNBC-RBUKOAKNSA-N 1 3 365.949 3.176 20 0 FGADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cc(F)c(Br)cc1F ZINC000629515239 716302476 /nfs/dbraw/zinc/30/24/76/716302476.db2.gz NHESNVSQKXLQGE-ZJUUUORDSA-N 1 3 351.235 3.132 20 0 FGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013838 717140014 /nfs/dbraw/zinc/14/00/14/717140014.db2.gz WQVKEXKBXBSAAH-JZXOWHBKSA-N 1 3 352.544 3.094 20 0 FGADHO CC[C@H]1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497699 718364183 /nfs/dbraw/zinc/36/41/83/718364183.db2.gz RQFFLCWODHMLSM-HOCLYGCPSA-N 1 3 352.404 3.450 20 0 FGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708119 718717519 /nfs/dbraw/zinc/71/75/19/718717519.db2.gz TYGVBLVOWZSIQB-JZXOWHBKSA-N 1 3 367.331 3.476 20 0 FGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705342 718853425 /nfs/dbraw/zinc/85/34/25/718853425.db2.gz PJVKVXWEUVXDBU-YOEHRIQHSA-N 1 3 353.913 3.330 20 0 FGADHO CO[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719740 719329459 /nfs/dbraw/zinc/32/94/59/719329459.db2.gz LHBZOWIVUNNUMZ-RTBURBONSA-N 1 3 352.906 3.261 20 0 FGADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731939 719331271 /nfs/dbraw/zinc/33/12/71/719331271.db2.gz WNDJBIHJUGZDKI-RBUKOAKNSA-N 1 3 352.906 3.261 20 0 FGADHO CO[C@H](c1ccccc1F)[C@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738038 719332598 /nfs/dbraw/zinc/33/25/98/719332598.db2.gz HJELCZGHDUXBBV-VPWXQRGCSA-N 1 3 350.478 3.135 20 0 FGADHO CC(C)[N@H+](C)C[C@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656709135 719447542 /nfs/dbraw/zinc/44/75/42/719447542.db2.gz NFXUNTMIQAMKCK-QGZVFWFLSA-N 1 3 369.347 3.063 20 0 FGADHO CC(C)[N@@H+](C)C[C@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656709135 719447552 /nfs/dbraw/zinc/44/75/52/719447552.db2.gz NFXUNTMIQAMKCK-QGZVFWFLSA-N 1 3 369.347 3.063 20 0 FGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N)CCCC1 ZINC000656788799 719470952 /nfs/dbraw/zinc/47/09/52/719470952.db2.gz CQOFRMHNMJKBLX-LBPRGKRZSA-N 1 3 354.292 3.027 20 0 FGADHO Cc1ncsc1-c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000657457967 719654633 /nfs/dbraw/zinc/65/46/33/719654633.db2.gz GUIADLLJWZZVBD-UHFFFAOYSA-N 1 3 358.555 3.234 20 0 FGADHO Clc1ccc2oc(C3CCN(C[C@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662260605 720406269 /nfs/dbraw/zinc/40/62/69/720406269.db2.gz NMGQFOVYKZZLDD-OAHLLOKOSA-N 1 3 361.873 3.182 20 0 FGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474776 720518259 /nfs/dbraw/zinc/51/82/59/720518259.db2.gz QKHJTXVIGGEBIP-RHSMWYFYSA-N 1 3 359.436 3.327 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(F)cccc1Cl ZINC000664309084 720622949 /nfs/dbraw/zinc/62/29/49/720622949.db2.gz XQEDDZPQOZMGDV-UONOGXRCSA-N 1 3 372.916 3.111 20 0 FGADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(F)cccc1Cl ZINC000664309084 720622950 /nfs/dbraw/zinc/62/29/50/720622950.db2.gz XQEDDZPQOZMGDV-UONOGXRCSA-N 1 3 372.916 3.111 20 0 FGADHO CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637522 720793785 /nfs/dbraw/zinc/79/37/85/720793785.db2.gz GDEXCMRYMXZGPL-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637522 720793787 /nfs/dbraw/zinc/79/37/87/720793787.db2.gz GDEXCMRYMXZGPL-INIZCTEOSA-N 1 3 368.953 3.144 20 0 FGADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000665639193 720794377 /nfs/dbraw/zinc/79/43/77/720794377.db2.gz PHBUKWNRYVWFSG-AWEZNQCLSA-N 1 3 370.925 3.132 20 0 FGADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000665639193 720794380 /nfs/dbraw/zinc/79/43/80/720794380.db2.gz PHBUKWNRYVWFSG-AWEZNQCLSA-N 1 3 370.925 3.132 20 0 FGADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000668644670 721325203 /nfs/dbraw/zinc/32/52/03/721325203.db2.gz GATPDDQMSWQAAN-IXDOHACOSA-N 1 3 364.559 3.090 20 0 FGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908313 722412409 /nfs/dbraw/zinc/41/24/09/722412409.db2.gz QJNMMPWADTVEHI-XSLAGTTESA-N 1 3 351.535 3.094 20 0 FGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000715554751 722415897 /nfs/dbraw/zinc/41/58/97/722415897.db2.gz YCEGUXKHFIMCEH-JQHSSLGASA-N 1 3 353.551 3.484 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725365 /nfs/dbraw/zinc/72/53/65/722725365.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 1 3 368.949 3.441 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725367 /nfs/dbraw/zinc/72/53/67/722725367.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 1 3 368.949 3.441 20 0 FGADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000790749134 723173524 /nfs/dbraw/zinc/17/35/24/723173524.db2.gz CXWSHUWLCUXDLD-HZPDHXFCSA-N 1 3 360.489 3.455 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817702 723542743 /nfs/dbraw/zinc/54/27/43/723542743.db2.gz PQLOFULBBCGVQP-LSTHTHJFSA-N 1 3 368.949 3.274 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817702 723542745 /nfs/dbraw/zinc/54/27/45/723542745.db2.gz PQLOFULBBCGVQP-LSTHTHJFSA-N 1 3 368.949 3.274 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(Br)cc1 ZINC000774200058 723868345 /nfs/dbraw/zinc/86/83/45/723868345.db2.gz FGBNGBJGIWGQCP-OHRKKDJYSA-N 1 3 353.304 3.431 20 0 FGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Br)cc1 ZINC000774200058 723868347 /nfs/dbraw/zinc/86/83/47/723868347.db2.gz FGBNGBJGIWGQCP-OHRKKDJYSA-N 1 3 353.304 3.431 20 0 FGADHO COc1ccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)cc1CN1CCCCC1 ZINC000775416890 723989749 /nfs/dbraw/zinc/98/97/49/723989749.db2.gz ZLOMAQOHAJTBIG-YPBQGGFRSA-N 1 3 366.571 3.489 20 0 FGADHO C[NH+]1CCC(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000788471394 725066120 /nfs/dbraw/zinc/06/61/20/725066120.db2.gz RTNLQFFEUPENSM-UHFFFAOYSA-N 1 3 355.448 3.165 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809606288 725251593 /nfs/dbraw/zinc/25/15/93/725251593.db2.gz OUFWAZOURAGZHO-GASCZTMLSA-N 1 3 353.532 3.036 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809606288 725251595 /nfs/dbraw/zinc/25/15/95/725251595.db2.gz OUFWAZOURAGZHO-GASCZTMLSA-N 1 3 353.532 3.036 20 0 FGADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195772 725296158 /nfs/dbraw/zinc/29/61/58/725296158.db2.gz DQPJJBSOUDFBCT-FQEVSTJZSA-N 1 3 355.542 3.361 20 0 FGADHO C[NH+](C)CC[C@H](NC[C@H](O)c1cccc(Br)c1)C(C)(C)C ZINC000819083240 727345888 /nfs/dbraw/zinc/34/58/88/727345888.db2.gz YJVBTXKJASAUOH-HOTGVXAUSA-N 1 3 357.336 3.439 20 0 FGADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000823961934 729314208 /nfs/dbraw/zinc/31/42/08/729314208.db2.gz ZNTUCJZKLQSCST-ZJPYXAASSA-N 1 3 353.551 3.484 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870593 729436256 /nfs/dbraw/zinc/43/62/56/729436256.db2.gz LCRYMUUBAQWKIW-LJQANCHMSA-N 1 3 351.535 3.192 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870593 729436257 /nfs/dbraw/zinc/43/62/57/729436257.db2.gz LCRYMUUBAQWKIW-LJQANCHMSA-N 1 3 351.535 3.192 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870592 729436286 /nfs/dbraw/zinc/43/62/86/729436286.db2.gz LCRYMUUBAQWKIW-IBGZPJMESA-N 1 3 351.535 3.192 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870592 729436287 /nfs/dbraw/zinc/43/62/87/729436287.db2.gz LCRYMUUBAQWKIW-IBGZPJMESA-N 1 3 351.535 3.192 20 0 FGADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834519396 729809553 /nfs/dbraw/zinc/80/95/53/729809553.db2.gz TYUUJJZTJSMEFF-CRAIPNDOSA-N 1 3 351.535 3.238 20 0 FGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016504 731007097 /nfs/dbraw/zinc/00/70/97/731007097.db2.gz ZBCTWMLCJONFSM-QGZVFWFLSA-N 1 3 351.535 3.194 20 0 FGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016504 731007101 /nfs/dbraw/zinc/00/71/01/731007101.db2.gz ZBCTWMLCJONFSM-QGZVFWFLSA-N 1 3 351.535 3.194 20 0 FGADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073299 731226081 /nfs/dbraw/zinc/22/60/81/731226081.db2.gz GHDKLIFSEWBXDM-HNNXBMFYSA-N 1 3 367.335 3.164 20 0 FGADHO Cc1ccccc1SC[C@H](C)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000859193234 732288188 /nfs/dbraw/zinc/28/81/88/732288188.db2.gz RZARSUCNDPAYPE-UYAOXDASSA-N 1 3 361.599 3.435 20 0 FGADHO Cc1ccccc1SC[C@H](C)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193234 732288190 /nfs/dbraw/zinc/28/81/90/732288190.db2.gz RZARSUCNDPAYPE-UYAOXDASSA-N 1 3 361.599 3.435 20 0 FGADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)nn1 ZINC000873247332 735743203 /nfs/dbraw/zinc/74/32/03/735743203.db2.gz LAMFQNWKDSMWDQ-SFHVURJKSA-N 1 3 351.479 3.053 20 0 FGADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000886596373 739273519 /nfs/dbraw/zinc/27/35/19/739273519.db2.gz CYDQQRNUNUWEBJ-UHFFFAOYSA-N 1 3 356.557 3.038 20 0 FGADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000898074441 742742229 /nfs/dbraw/zinc/74/22/29/742742229.db2.gz RAFOQNHGKHDUMW-IKGGRYGDSA-N 1 3 351.535 3.379 20 0 FGADHO Clc1ccccc1OC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903752626 743881192 /nfs/dbraw/zinc/88/11/92/743881192.db2.gz ORMTWCQIEHWZPQ-QGZVFWFLSA-N 1 3 364.917 3.342 20 0 FGADHO Cc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000903761575 743881337 /nfs/dbraw/zinc/88/13/37/743881337.db2.gz WICYGNQTJNNFIP-IRXDYDNUSA-N 1 3 367.331 3.476 20 0 FGADHO FC(F)(F)c1ccnc([C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461520 743956706 /nfs/dbraw/zinc/95/67/06/743956706.db2.gz CLPWGTBJRUUGBU-LLVKDONJSA-N 1 3 368.428 3.192 20 0 FGADHO C[NH+](C)Cc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)s1 ZINC000904864561 743981438 /nfs/dbraw/zinc/98/14/38/743981438.db2.gz KJIURABVTVKSAJ-UHFFFAOYSA-N 1 3 360.523 3.312 20 0 FGADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386058 758909308 /nfs/dbraw/zinc/90/93/08/758909308.db2.gz DZKZXSQLQFMUKN-RRCSTGOVSA-N 1 3 373.360 3.080 20 0 FGADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1csc(Br)c1)C2 ZINC000922386058 758909310 /nfs/dbraw/zinc/90/93/10/758909310.db2.gz DZKZXSQLQFMUKN-RRCSTGOVSA-N 1 3 373.360 3.080 20 0 FGADHO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925784472 759537142 /nfs/dbraw/zinc/53/71/42/759537142.db2.gz SBJUQDNILHAYIX-LKFCYVNXSA-N 1 3 363.221 3.410 20 0 FGADHO FC(F)(F)[C@@H]1CCC[C@H](CN2CCC(OCC[NH+]3CCCC3)CC2)O1 ZINC000929762129 760451073 /nfs/dbraw/zinc/45/10/73/760451073.db2.gz DPAVEXHLRGTOIK-SJORKVTESA-N 1 3 364.452 3.063 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(Cl)c3)C2)CC[N@@H+]1C ZINC000968728348 762842039 /nfs/dbraw/zinc/84/20/39/762842039.db2.gz KGJQHORYRSEDSR-BPLDGKMQSA-N 1 3 370.324 3.024 20 0 FGADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000968728348 762842047 /nfs/dbraw/zinc/84/20/47/762842047.db2.gz KGJQHORYRSEDSR-BPLDGKMQSA-N 1 3 370.324 3.024 20 0 FGADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000968864623 762843971 /nfs/dbraw/zinc/84/39/71/762843971.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 1 3 363.571 3.258 20 0 FGADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000968864623 762843978 /nfs/dbraw/zinc/84/39/78/762843978.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 1 3 363.571 3.258 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001005416281 765469005 /nfs/dbraw/zinc/46/90/05/765469005.db2.gz SELIGOIUWCPIRP-RBUKOAKNSA-N 1 3 363.571 3.210 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001005416281 765469007 /nfs/dbraw/zinc/46/90/07/765469007.db2.gz SELIGOIUWCPIRP-RBUKOAKNSA-N 1 3 363.571 3.210 20 0 FGADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053502 /nfs/dbraw/zinc/05/35/02/766053502.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 1 3 363.571 3.176 20 0 FGADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053509 /nfs/dbraw/zinc/05/35/09/766053509.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 1 3 363.571 3.176 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028552125 766124317 /nfs/dbraw/zinc/12/43/17/766124317.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028552125 766124324 /nfs/dbraw/zinc/12/43/24/766124324.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 1 3 363.933 3.008 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049483490 766786401 /nfs/dbraw/zinc/78/64/01/766786401.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 1 3 361.555 3.044 20 0 FGADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049483490 766786409 /nfs/dbraw/zinc/78/64/09/766786409.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 1 3 361.555 3.044 20 0 FGADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000056343936 221080345 /nfs/dbraw/zinc/08/03/45/221080345.db2.gz CQMUBOZNIXMMMU-LJQANCHMSA-N 1 3 372.557 3.072 20 0 FGADHO c1ccc(CN2C[C@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746174 505609883 /nfs/dbraw/zinc/60/98/83/505609883.db2.gz PSJKFYPVVHFULD-UXHICEINSA-N 1 3 360.567 3.258 20 0 FGADHO Cc1cccn2cc(COc3ccc(CNCCC[NH+]4CCC4)cc3)nc12 ZINC000579734489 505610217 /nfs/dbraw/zinc/61/02/17/505610217.db2.gz UTCYUGQWOVXDLU-UHFFFAOYSA-N 1 3 364.493 3.407 20 0 FGADHO CN(C)C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000568106539 505618224 /nfs/dbraw/zinc/61/82/24/505618224.db2.gz RPBKKMRMHDDQOV-FQEVSTJZSA-N 1 3 373.928 3.477 20 0 FGADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000573834251 505631644 /nfs/dbraw/zinc/63/16/44/505631644.db2.gz ULFOKJOIUWHLOD-INIZCTEOSA-N 1 3 374.447 3.155 20 0 FGADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000576980603 505637864 /nfs/dbraw/zinc/63/78/64/505637864.db2.gz RBTPTLNIYMGMOK-UHFFFAOYSA-N 1 3 357.420 3.496 20 0 FGADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)c1 ZINC000568282166 505658640 /nfs/dbraw/zinc/65/86/40/505658640.db2.gz PXXZVMSXHZWWMP-NRFANRHFSA-N 1 3 366.509 3.234 20 0 FGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000580111029 505679655 /nfs/dbraw/zinc/67/96/55/505679655.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 1 3 374.573 3.269 20 0 FGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000580111029 505679660 /nfs/dbraw/zinc/67/96/60/505679660.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 1 3 374.573 3.269 20 0 FGADHO C[NH+](C)CCC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000071997645 494114127 /nfs/dbraw/zinc/11/41/27/494114127.db2.gz KURGHVMPMSQMAF-UHFFFAOYSA-N 1 3 355.320 3.492 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN(CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077658089 494133935 /nfs/dbraw/zinc/13/39/35/494133935.db2.gz ISVDLOMXHFPLIY-SFHVURJKSA-N 1 3 357.542 3.450 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN3CCC(C)CC3)C2)s1 ZINC000580225969 505707739 /nfs/dbraw/zinc/70/77/39/505707739.db2.gz QZNWAOSSJADXBF-GOSISDBHSA-N 1 3 363.571 3.069 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN3CCC(C)CC3)C2)s1 ZINC000580225969 505707743 /nfs/dbraw/zinc/70/77/43/505707743.db2.gz QZNWAOSSJADXBF-GOSISDBHSA-N 1 3 363.571 3.069 20 0 FGADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000089131714 494268999 /nfs/dbraw/zinc/26/89/99/494268999.db2.gz YVJYYCQPNVKZBP-OAQYLSRUSA-N 1 3 357.542 3.431 20 0 FGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000089215211 494274128 /nfs/dbraw/zinc/27/41/28/494274128.db2.gz QZKHTAKJIHRPLE-INIZCTEOSA-N 1 3 353.466 3.420 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000066185521 494285796 /nfs/dbraw/zinc/28/57/96/494285796.db2.gz IGCFJKPFZCJTFH-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CSc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)s1 ZINC000574186856 505715415 /nfs/dbraw/zinc/71/54/15/505715415.db2.gz ZDUXJDRNXLSQDP-UHFFFAOYSA-N 1 3 362.568 3.167 20 0 FGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415542 494369147 /nfs/dbraw/zinc/36/91/47/494369147.db2.gz MVIBKDMQAMWPPV-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415542 494369151 /nfs/dbraw/zinc/36/91/51/494369151.db2.gz MVIBKDMQAMWPPV-CTNGQTDRSA-N 1 3 372.557 3.197 20 0 FGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000079219086 494421186 /nfs/dbraw/zinc/42/11/86/494421186.db2.gz ONHDRFWKTIDHRF-SFHVURJKSA-N 1 3 352.567 3.062 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000079219086 494421188 /nfs/dbraw/zinc/42/11/88/494421188.db2.gz ONHDRFWKTIDHRF-SFHVURJKSA-N 1 3 352.567 3.062 20 0 FGADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000045463670 494430905 /nfs/dbraw/zinc/43/09/05/494430905.db2.gz ASMOVYLHPOJFPD-UHFFFAOYSA-N 1 3 372.557 3.024 20 0 FGADHO Cc1ccc2ccccc2c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000568559066 505721787 /nfs/dbraw/zinc/72/17/87/505721787.db2.gz RMVBNCYNRCWGPA-UHFFFAOYSA-N 1 3 353.510 3.038 20 0 FGADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000073959229 494457009 /nfs/dbraw/zinc/45/70/09/494457009.db2.gz GIAIVFPDWIFOIA-HKUYNNGSSA-N 1 3 363.571 3.368 20 0 FGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000090936992 494504292 /nfs/dbraw/zinc/50/42/92/494504292.db2.gz VIUSFKQZHHDAAZ-IAGOWNOFSA-N 1 3 357.498 3.312 20 0 FGADHO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000079896552 494545019 /nfs/dbraw/zinc/54/50/19/494545019.db2.gz KSBMPZYODAXILQ-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000079896552 494545023 /nfs/dbraw/zinc/54/50/23/494545023.db2.gz KSBMPZYODAXILQ-UHFFFAOYSA-N 1 3 374.573 3.402 20 0 FGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc2c(c1)CNC2 ZINC000580300391 505727724 /nfs/dbraw/zinc/72/77/24/505727724.db2.gz GAWLFYNIRAWLAZ-IFMALSPDSA-N 1 3 363.505 3.102 20 0 FGADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000125939154 494582552 /nfs/dbraw/zinc/58/25/52/494582552.db2.gz DEGCYNLMJJTNOF-YJBOKZPZSA-N 1 3 369.575 3.465 20 0 FGADHO C[NH+](C)CCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000092381357 494610912 /nfs/dbraw/zinc/61/09/12/494610912.db2.gz DOBGFCLMQUUEIP-UHFFFAOYSA-N 1 3 370.497 3.012 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000067704589 494617731 /nfs/dbraw/zinc/61/77/31/494617731.db2.gz WXAZGVOSOBHVAR-GOSISDBHSA-N 1 3 360.546 3.206 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000024571055 494640929 /nfs/dbraw/zinc/64/09/29/494640929.db2.gz FFASVFJWLOCTCI-LJQANCHMSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000024571055 494640941 /nfs/dbraw/zinc/64/09/41/494640941.db2.gz FFASVFJWLOCTCI-LJQANCHMSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108549558 494736101 /nfs/dbraw/zinc/73/61/01/494736101.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108549558 494736107 /nfs/dbraw/zinc/73/61/07/494736107.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 1 3 372.557 3.202 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000080616933 494748791 /nfs/dbraw/zinc/74/87/91/494748791.db2.gz PELLDUHGPMFAFK-FUHWJXTLSA-N 1 3 356.514 3.006 20 0 FGADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000080616933 494748794 /nfs/dbraw/zinc/74/87/94/494748794.db2.gz PELLDUHGPMFAFK-FUHWJXTLSA-N 1 3 356.514 3.006 20 0 FGADHO CN(C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000108965578 494812111 /nfs/dbraw/zinc/81/21/11/494812111.db2.gz JNKPHHHNSAYKPE-OAQYLSRUSA-N 1 3 351.494 3.315 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121903953 494885854 /nfs/dbraw/zinc/88/58/54/494885854.db2.gz DGDRTCWIIKULTC-LJQANCHMSA-N 1 3 365.949 3.479 20 0 FGADHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000132921220 494943082 /nfs/dbraw/zinc/94/30/82/494943082.db2.gz KSSGUBYHJVAHDH-VQIMIIECSA-N 1 3 362.514 3.245 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127439470 494944807 /nfs/dbraw/zinc/94/48/07/494944807.db2.gz SMMULFBDLJROEI-LMMKCTJWSA-N 1 3 352.494 3.320 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127439470 494944808 /nfs/dbraw/zinc/94/48/08/494944808.db2.gz SMMULFBDLJROEI-LMMKCTJWSA-N 1 3 352.494 3.320 20 0 FGADHO CC(C)[C@@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000132950181 494947556 /nfs/dbraw/zinc/94/75/56/494947556.db2.gz OPPXJNJDTIPCMB-GOEBONIOSA-N 1 3 352.910 3.162 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514004 505751802 /nfs/dbraw/zinc/75/18/02/505751802.db2.gz MHTPPQAZZACBTH-KZKAQZJJSA-N 1 3 368.521 3.463 20 0 FGADHO OC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514004 505751805 /nfs/dbraw/zinc/75/18/05/505751805.db2.gz MHTPPQAZZACBTH-KZKAQZJJSA-N 1 3 368.521 3.463 20 0 FGADHO C[C@H](CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)N1CCCCC1 ZINC000571517401 505752422 /nfs/dbraw/zinc/75/24/22/505752422.db2.gz XFYQMKHDUHFYRW-VQIMIIECSA-N 1 3 354.922 3.072 20 0 FGADHO CC(C)Cc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000568685715 505752695 /nfs/dbraw/zinc/75/26/95/505752695.db2.gz BXOZGANOASVQOL-QFIPXVFZSA-N 1 3 371.569 3.478 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]4(CC[C@H](C)C4)C3)CC2)CC1 ZINC000571535546 505757125 /nfs/dbraw/zinc/75/71/25/505757125.db2.gz RDOYWWMGTBUCNE-PGRDOPGGSA-N 1 3 361.574 3.221 20 0 FGADHO C[C@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccc(F)cc1 ZINC000127861110 495009297 /nfs/dbraw/zinc/00/92/97/495009297.db2.gz VPSUSKUDWAVBLD-MRXNPFEDSA-N 1 3 357.473 3.010 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@H](O)C1CCCCC1)C1CCN(C)CC1 ZINC000133770340 495060086 /nfs/dbraw/zinc/06/00/86/495060086.db2.gz KZARXKYMIUMIIL-QFIPXVFZSA-N 1 3 359.558 3.248 20 0 FGADHO CN(c1ccccc1CNC[C@H](O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000133770340 495060087 /nfs/dbraw/zinc/06/00/87/495060087.db2.gz KZARXKYMIUMIIL-QFIPXVFZSA-N 1 3 359.558 3.248 20 0 FGADHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000118983216 495064034 /nfs/dbraw/zinc/06/40/34/495064034.db2.gz IAHLVXHTTHTNMY-UVUJQTEASA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000118983216 495064035 /nfs/dbraw/zinc/06/40/35/495064035.db2.gz IAHLVXHTTHTNMY-UVUJQTEASA-N 1 3 359.558 3.077 20 0 FGADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)N(C)C)cc1 ZINC000118983216 495064037 /nfs/dbraw/zinc/06/40/37/495064037.db2.gz IAHLVXHTTHTNMY-UVUJQTEASA-N 1 3 359.558 3.077 20 0 FGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111875357 495123710 /nfs/dbraw/zinc/12/37/10/495123710.db2.gz QSXDSCCEYNECKO-GOSISDBHSA-N 1 3 360.546 3.023 20 0 FGADHO COc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000119423201 495164109 /nfs/dbraw/zinc/16/41/09/495164109.db2.gz KWGPZYQKNOEEMN-LEWJYISDSA-N 1 3 367.493 3.038 20 0 FGADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000103092862 495192741 /nfs/dbraw/zinc/19/27/41/495192741.db2.gz TXJXJZQFQQDSCW-HXUWFJFHSA-N 1 3 357.542 3.476 20 0 FGADHO COc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000119712827 495224822 /nfs/dbraw/zinc/22/48/22/495224822.db2.gz VWJBWIREGPUBCP-INIZCTEOSA-N 1 3 354.498 3.217 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccsc1 ZINC000103509997 495245061 /nfs/dbraw/zinc/24/50/61/495245061.db2.gz VTYCVXRQRFHLDW-SFHVURJKSA-N 1 3 366.575 3.114 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCC2CCOCC2)CC1 ZINC000129653120 495275972 /nfs/dbraw/zinc/27/59/72/495275972.db2.gz XUUIADSOYKRUFI-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCC2CCOCC2)CC1 ZINC000129653120 495275973 /nfs/dbraw/zinc/27/59/73/495275973.db2.gz XUUIADSOYKRUFI-UHFFFAOYSA-N 1 3 359.558 3.467 20 0 FGADHO CCCC[C@@H](CCC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124735566 495335126 /nfs/dbraw/zinc/33/51/26/495335126.db2.gz WHOKNTNGGJPJOA-GOSISDBHSA-N 1 3 366.594 3.451 20 0 FGADHO CC[N@@H+]1CC[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@H](C)C1 ZINC000130282952 495367481 /nfs/dbraw/zinc/36/74/81/495367481.db2.gz BUACBRLMAJXVIQ-GCJKJVERSA-N 1 3 356.558 3.361 20 0 FGADHO CC[N@H+]1CC[C@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@H](C)C1 ZINC000130282952 495367484 /nfs/dbraw/zinc/36/74/84/495367484.db2.gz BUACBRLMAJXVIQ-GCJKJVERSA-N 1 3 356.558 3.361 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1n1cccn1 ZINC000568785898 505777309 /nfs/dbraw/zinc/77/73/09/505777309.db2.gz LCVDUXZBYLEODU-NJYVYQBISA-N 1 3 370.541 3.349 20 0 FGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1n1cccn1 ZINC000568785898 505777310 /nfs/dbraw/zinc/77/73/10/505777310.db2.gz LCVDUXZBYLEODU-NJYVYQBISA-N 1 3 370.541 3.349 20 0 FGADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372797 495381795 /nfs/dbraw/zinc/38/17/95/495381795.db2.gz SCLRCRBVANOLMM-KURKYZTESA-N 1 3 356.432 3.464 20 0 FGADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000120571676 495408046 /nfs/dbraw/zinc/40/80/46/495408046.db2.gz AVMVGPUNFZFDMW-HZPDHXFCSA-N 1 3 358.530 3.259 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000125334469 495428181 /nfs/dbraw/zinc/42/81/81/495428181.db2.gz GMXHKNTZKKVFQB-IFMALSPDSA-N 1 3 359.558 3.302 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000125409159 495440323 /nfs/dbraw/zinc/44/03/23/495440323.db2.gz RFTMEXBLIQFFGY-GHOZHQTGSA-N 1 3 372.557 3.069 20 0 FGADHO COc1ccc(C[NH+]2CCC(CNCc3c(Cl)cnn3C)CC2)cc1 ZINC000130887902 495461514 /nfs/dbraw/zinc/46/15/14/495461514.db2.gz CNHMKBVKLMXTOT-UHFFFAOYSA-N 1 3 362.905 3.084 20 0 FGADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154286472 495569235 /nfs/dbraw/zinc/56/92/35/495569235.db2.gz DDOKVIGBZJRKAH-MRXNPFEDSA-N 1 3 373.570 3.192 20 0 FGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154286385 495569773 /nfs/dbraw/zinc/56/97/73/495569773.db2.gz DDOKVIGBZJRKAH-INIZCTEOSA-N 1 3 373.570 3.192 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000154339252 495585493 /nfs/dbraw/zinc/58/54/93/495585493.db2.gz KKPGVBZNFIAFJI-QUCCMNQESA-N 1 3 357.542 3.230 20 0 FGADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1nccn1C ZINC000182498640 495587837 /nfs/dbraw/zinc/58/78/37/495587837.db2.gz VXOKBOFXQUKFGA-OAQYLSRUSA-N 1 3 369.557 3.059 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000173564617 495590229 /nfs/dbraw/zinc/59/02/29/495590229.db2.gz SDGYLWQRMLENRL-WIYYLYMNSA-N 1 3 372.557 3.297 20 0 FGADHO CCSc1cccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000185545431 495616111 /nfs/dbraw/zinc/61/61/11/495616111.db2.gz WHHOCHOFCFQGNN-UHFFFAOYSA-N 1 3 371.550 3.380 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000154443461 495616903 /nfs/dbraw/zinc/61/69/03/495616903.db2.gz RXVDHCXZKQYLQY-IBGZPJMESA-N 1 3 352.526 3.427 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000176387963 495631962 /nfs/dbraw/zinc/63/19/62/495631962.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 1 3 372.557 3.295 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000176387963 495631969 /nfs/dbraw/zinc/63/19/69/495631969.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 1 3 372.557 3.295 20 0 FGADHO CN(C)Cc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000154497605 495634920 /nfs/dbraw/zinc/63/49/20/495634920.db2.gz JNDWEFYFAJJPRC-UHFFFAOYSA-N 1 3 366.509 3.132 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638987 /nfs/dbraw/zinc/63/89/87/495638987.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 1 3 364.578 3.013 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638994 /nfs/dbraw/zinc/63/89/94/495638994.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 1 3 364.578 3.013 20 0 FGADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(OC)c(OC)c1 ZINC000159113686 495661175 /nfs/dbraw/zinc/66/11/75/495661175.db2.gz WKFLCKKTFOVFRU-SFHVURJKSA-N 1 3 350.503 3.245 20 0 FGADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)s1 ZINC000150958767 495694879 /nfs/dbraw/zinc/69/48/79/495694879.db2.gz TWNWQEDXIBONHY-LBPRGKRZSA-N 1 3 360.365 3.187 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185733460 495702446 /nfs/dbraw/zinc/70/24/46/495702446.db2.gz HWUVNEYIOARJDN-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185733460 495702453 /nfs/dbraw/zinc/70/24/53/495702453.db2.gz HWUVNEYIOARJDN-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185733460 495702457 /nfs/dbraw/zinc/70/24/57/495702457.db2.gz HWUVNEYIOARJDN-SFHLNBCPSA-N 1 3 360.542 3.286 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823499 495707890 /nfs/dbraw/zinc/70/78/90/495707890.db2.gz IVMUIYNJFYANIB-NXHRZFHOSA-N 1 3 366.575 3.255 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823499 495707896 /nfs/dbraw/zinc/70/78/96/495707896.db2.gz IVMUIYNJFYANIB-NXHRZFHOSA-N 1 3 366.575 3.255 20 0 FGADHO COCC[NH+]1CCC(N[C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154827393 495740723 /nfs/dbraw/zinc/74/07/23/495740723.db2.gz RKFKLUPDRGUSAY-KRWDZBQOSA-N 1 3 371.294 3.276 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580630963 505801941 /nfs/dbraw/zinc/80/19/41/505801941.db2.gz QKBJZEMCRZVTHD-QFBILLFUSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630963 505801942 /nfs/dbraw/zinc/80/19/42/505801942.db2.gz QKBJZEMCRZVTHD-QFBILLFUSA-N 1 3 364.493 3.322 20 0 FGADHO C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151476517 495851843 /nfs/dbraw/zinc/85/18/43/495851843.db2.gz NDFYHQFLEPWPOD-QGZVFWFLSA-N 1 3 365.481 3.059 20 0 FGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000180181080 495894450 /nfs/dbraw/zinc/89/44/50/495894450.db2.gz PTKDDLFYEDCGMK-CALCHBBNSA-N 1 3 356.514 3.274 20 0 FGADHO CCC[NH+]1CCC(N(C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000177052380 495903490 /nfs/dbraw/zinc/90/34/90/495903490.db2.gz LPGJDLABGQGORH-NRFANRHFSA-N 1 3 357.542 3.377 20 0 FGADHO C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000571785107 505814776 /nfs/dbraw/zinc/81/47/76/505814776.db2.gz AHRMQUFYAFABFC-QUGAMOGWSA-N 1 3 374.550 3.356 20 0 FGADHO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000183485471 496005446 /nfs/dbraw/zinc/00/54/46/496005446.db2.gz YJZQRJLHOVJEJH-INIZCTEOSA-N 1 3 358.530 3.261 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC000174625977 496037237 /nfs/dbraw/zinc/03/72/37/496037237.db2.gz NHGRETMXZFTLOV-SFHVURJKSA-N 1 3 351.560 3.368 20 0 FGADHO CC[C@@H](CN(CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620164 496076417 /nfs/dbraw/zinc/07/64/17/496076417.db2.gz ROPFKYGCNBFQNN-IBGZPJMESA-N 1 3 359.558 3.491 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365545 496128103 /nfs/dbraw/zinc/12/81/03/496128103.db2.gz VXUSMXZXWAEDBQ-WBVHZDCISA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365545 496128108 /nfs/dbraw/zinc/12/81/08/496128108.db2.gz VXUSMXZXWAEDBQ-WBVHZDCISA-N 1 3 363.933 3.151 20 0 FGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000156471226 496254493 /nfs/dbraw/zinc/25/44/93/496254493.db2.gz NZXOMAHSDTWTTP-FQEVSTJZSA-N 1 3 352.526 3.330 20 0 FGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582114 496284069 /nfs/dbraw/zinc/28/40/69/496284069.db2.gz NIBMLDWLIRJZPN-TYNCELHUSA-N 1 3 358.267 3.425 20 0 FGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582114 496284071 /nfs/dbraw/zinc/28/40/71/496284071.db2.gz NIBMLDWLIRJZPN-TYNCELHUSA-N 1 3 358.267 3.425 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCN1CC ZINC000175279471 496320706 /nfs/dbraw/zinc/32/07/06/496320706.db2.gz QCSUTTCWOYGYFG-NHCUHLMSSA-N 1 3 357.542 3.231 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCN1CC ZINC000175279471 496320712 /nfs/dbraw/zinc/32/07/12/496320712.db2.gz QCSUTTCWOYGYFG-NHCUHLMSSA-N 1 3 357.542 3.231 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159064 496351101 /nfs/dbraw/zinc/35/11/01/496351101.db2.gz PCRMBRLGLDYKST-CQSZACIVSA-N 1 3 369.351 3.278 20 0 FGADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159064 496351105 /nfs/dbraw/zinc/35/11/05/496351105.db2.gz PCRMBRLGLDYKST-CQSZACIVSA-N 1 3 369.351 3.278 20 0 FGADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000162437801 496352888 /nfs/dbraw/zinc/35/28/88/496352888.db2.gz WMRXDHRTMZLXHJ-WIYYLYMNSA-N 1 3 357.542 3.244 20 0 FGADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000172615423 496363524 /nfs/dbraw/zinc/36/35/24/496363524.db2.gz PBZPURQTQGZVLG-UHFFFAOYSA-N 1 3 365.521 3.185 20 0 FGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000178242319 496384492 /nfs/dbraw/zinc/38/44/92/496384492.db2.gz UVLMCKYSXGOXGW-ROUUACIJSA-N 1 3 359.558 3.335 20 0 FGADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049801 505849499 /nfs/dbraw/zinc/84/94/99/505849499.db2.gz DNQRHERFAYSNTB-CQSZACIVSA-N 1 3 354.336 3.126 20 0 FGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184831762 496548856 /nfs/dbraw/zinc/54/88/56/496548856.db2.gz WSBZCAQPTKNCTH-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000184831762 496548860 /nfs/dbraw/zinc/54/88/60/496548860.db2.gz WSBZCAQPTKNCTH-HXUWFJFHSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)COc2ccccc2)CC1 ZINC000569095512 505851407 /nfs/dbraw/zinc/85/14/07/505851407.db2.gz RNMQRLNQESPGCA-RXVVDRJESA-N 1 3 354.494 3.242 20 0 FGADHO O=C1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CN1Cc1ccccc1 ZINC000181819826 496559079 /nfs/dbraw/zinc/55/90/79/496559079.db2.gz JIKXQZBLQINYMU-FQEVSTJZSA-N 1 3 369.553 3.422 20 0 FGADHO Clc1ccc(C[C@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000569095197 505851541 /nfs/dbraw/zinc/85/15/41/505851541.db2.gz JUBTXEWTILUWHE-AEFFLSMTSA-N 1 3 373.932 3.426 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000185034386 496630937 /nfs/dbraw/zinc/63/09/37/496630937.db2.gz YPAAEZGVNNHKAC-RBUKOAKNSA-N 1 3 366.571 3.259 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000185034386 496630941 /nfs/dbraw/zinc/63/09/41/496630941.db2.gz YPAAEZGVNNHKAC-RBUKOAKNSA-N 1 3 366.571 3.259 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000173416652 496683890 /nfs/dbraw/zinc/68/38/90/496683890.db2.gz BTWJFCHXTIWBPA-IKGGRYGDSA-N 1 3 364.559 3.009 20 0 FGADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000173416652 496683899 /nfs/dbraw/zinc/68/38/99/496683899.db2.gz BTWJFCHXTIWBPA-IKGGRYGDSA-N 1 3 364.559 3.009 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687775 /nfs/dbraw/zinc/68/77/75/496687775.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 1 3 374.548 3.245 20 0 FGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687780 /nfs/dbraw/zinc/68/77/80/496687780.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 1 3 374.548 3.245 20 0 FGADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384627 496689497 /nfs/dbraw/zinc/68/94/97/496689497.db2.gz IDSAZKOSYNCCJJ-ZBFHGGJFSA-N 1 3 367.921 3.306 20 0 FGADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384627 496689504 /nfs/dbraw/zinc/68/95/04/496689504.db2.gz IDSAZKOSYNCCJJ-ZBFHGGJFSA-N 1 3 367.921 3.306 20 0 FGADHO C[C@@H](C(=O)Nc1cccc(OCCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000168767261 496711682 /nfs/dbraw/zinc/71/16/82/496711682.db2.gz KYJBYWRDVHWOAC-UZLBHIALSA-N 1 3 355.482 3.292 20 0 FGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC1CCN(C)CC1 ZINC000273183994 496733978 /nfs/dbraw/zinc/73/39/78/496733978.db2.gz HAAHBWVRYWFBPD-OAQYLSRUSA-N 1 3 357.542 3.089 20 0 FGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1CCN(C)CC1 ZINC000273183994 496733982 /nfs/dbraw/zinc/73/39/82/496733982.db2.gz HAAHBWVRYWFBPD-OAQYLSRUSA-N 1 3 357.542 3.089 20 0 FGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000246964943 496736906 /nfs/dbraw/zinc/73/69/06/496736906.db2.gz JBDDSZQYCCAKJH-IXDOHACOSA-N 1 3 351.510 3.432 20 0 FGADHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000247004131 496748434 /nfs/dbraw/zinc/74/84/34/496748434.db2.gz KAZLIBACXNTVAT-ZASNGOMBSA-N 1 3 366.571 3.357 20 0 FGADHO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1OC ZINC000247022697 496755655 /nfs/dbraw/zinc/75/56/55/496755655.db2.gz KVTBQDMIRSKESD-RYQLBKOJSA-N 1 3 350.503 3.244 20 0 FGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]21 ZINC000268972598 496839264 /nfs/dbraw/zinc/83/92/64/496839264.db2.gz ATZFHJXLBGEYST-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]21 ZINC000268972598 496839270 /nfs/dbraw/zinc/83/92/70/496839270.db2.gz ATZFHJXLBGEYST-SFTDATJTSA-N 1 3 355.526 3.229 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000188582743 496841068 /nfs/dbraw/zinc/84/10/68/496841068.db2.gz BIQZNGDUQPCMMI-UHFFFAOYSA-N 1 3 374.573 3.333 20 0 FGADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195636024 496956886 /nfs/dbraw/zinc/95/68/86/496956886.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195636024 496956891 /nfs/dbraw/zinc/95/68/91/496956891.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 1 3 352.567 3.061 20 0 FGADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248408838 497001172 /nfs/dbraw/zinc/00/11/72/497001172.db2.gz VYFWVFOZMZFIJX-MJUUVYJYSA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248408838 497001178 /nfs/dbraw/zinc/00/11/78/497001178.db2.gz VYFWVFOZMZFIJX-MJUUVYJYSA-N 1 3 357.542 3.182 20 0 FGADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408838 497001180 /nfs/dbraw/zinc/00/11/80/497001180.db2.gz VYFWVFOZMZFIJX-MJUUVYJYSA-N 1 3 357.542 3.182 20 0 FGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192143480 497011376 /nfs/dbraw/zinc/01/13/76/497011376.db2.gz MLJFUNYPXWUIGN-IBGZPJMESA-N 1 3 357.498 3.106 20 0 FGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192143480 497011380 /nfs/dbraw/zinc/01/13/80/497011380.db2.gz MLJFUNYPXWUIGN-IBGZPJMESA-N 1 3 357.498 3.106 20 0 FGADHO CN(C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248540091 497033972 /nfs/dbraw/zinc/03/39/72/497033972.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 1 3 352.522 3.434 20 0 FGADHO CN(C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248540091 497033977 /nfs/dbraw/zinc/03/39/77/497033977.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 1 3 352.522 3.434 20 0 FGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229713 505884757 /nfs/dbraw/zinc/88/47/57/505884757.db2.gz MZNQWZGDKCNKTL-XJKSGUPXSA-N 1 3 353.388 3.071 20 0 FGADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405023 497103209 /nfs/dbraw/zinc/10/32/09/497103209.db2.gz DUVQTNRGGZBMFN-SJORKVTESA-N 1 3 374.529 3.122 20 0 FGADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405023 497103214 /nfs/dbraw/zinc/10/32/14/497103214.db2.gz DUVQTNRGGZBMFN-SJORKVTESA-N 1 3 374.529 3.122 20 0 FGADHO COCCC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCCCC1 ZINC000189398181 497105456 /nfs/dbraw/zinc/10/54/56/497105456.db2.gz PTOHXKSTBUZNCW-OAQYLSRUSA-N 1 3 360.542 3.330 20 0 FGADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000192441054 497115621 /nfs/dbraw/zinc/11/56/21/497115621.db2.gz PGYKUROCGONSFD-UHFFFAOYSA-N 1 3 350.528 3.282 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892337 497128106 /nfs/dbraw/zinc/12/81/06/497128106.db2.gz SGOSEKVBRZWKIX-SIKLNZKXSA-N 1 3 370.541 3.407 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892337 497128110 /nfs/dbraw/zinc/12/81/10/497128110.db2.gz SGOSEKVBRZWKIX-SIKLNZKXSA-N 1 3 370.541 3.407 20 0 FGADHO CC1CCN([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000236730242 497138446 /nfs/dbraw/zinc/13/84/46/497138446.db2.gz SACBTWCOGUPWEU-ZXJUBJKJSA-N 1 3 369.553 3.497 20 0 FGADHO CCCN1CCN(c2ccccc2CNCC[N@H+](C)C2CCCC2)CC1 ZINC000236799749 497147643 /nfs/dbraw/zinc/14/76/43/497147643.db2.gz VVGWDBIEZYRIAU-UHFFFAOYSA-N 1 3 358.574 3.183 20 0 FGADHO CCCN1CCN(c2ccccc2CNCC[N@@H+](C)C2CCCC2)CC1 ZINC000236799749 497147645 /nfs/dbraw/zinc/14/76/45/497147645.db2.gz VVGWDBIEZYRIAU-UHFFFAOYSA-N 1 3 358.574 3.183 20 0 FGADHO COc1ccc([C@@H](CCO)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000270627533 497165262 /nfs/dbraw/zinc/16/52/62/497165262.db2.gz LNDQFBYLAQYJQW-VGOFRKELSA-N 1 3 372.509 3.410 20 0 FGADHO CN(CCN(Cc1ccccc1)C(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000237132943 497195813 /nfs/dbraw/zinc/19/58/13/497195813.db2.gz FQQLYBQRBYIQBK-UHFFFAOYSA-N 1 3 365.521 3.147 20 0 FGADHO CC(C)N1CCN(CCC[NH+]2CCC(Nc3ccccc3F)CC2)CC1 ZINC000192770788 497209806 /nfs/dbraw/zinc/20/98/06/497209806.db2.gz VAYPXWHWOVWFDS-UHFFFAOYSA-N 1 3 362.537 3.118 20 0 FGADHO COc1ccc([C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000237327895 497221036 /nfs/dbraw/zinc/22/10/36/497221036.db2.gz KJPSDJSXYGKSMK-ACRUOGEOSA-N 1 3 373.541 3.246 20 0 FGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237481470 497243112 /nfs/dbraw/zinc/24/31/12/497243112.db2.gz KNCKFUWNYRYFTD-UWJYYQICSA-N 1 3 351.494 3.071 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237513293 497248667 /nfs/dbraw/zinc/24/86/67/497248667.db2.gz TUQBGEYCCATAHC-UTKZUKDTSA-N 1 3 351.494 3.128 20 0 FGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H](N)c1ccccc1 ZINC000237515116 497249404 /nfs/dbraw/zinc/24/94/04/497249404.db2.gz USAOTGXEFJXCNB-DBXWQHBBSA-N 1 3 365.521 3.349 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237561790 497255976 /nfs/dbraw/zinc/25/59/76/497255976.db2.gz PLVYQKPQLVQXDU-LAUBAEHRSA-N 1 3 351.494 3.270 20 0 FGADHO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@H](N)c1ccccc1 ZINC000237595964 497261236 /nfs/dbraw/zinc/26/12/36/497261236.db2.gz JTZLVVMEKALCMW-KKSFZXQISA-N 1 3 364.493 3.478 20 0 FGADHO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[C@@H](N)c1ccccc1 ZINC000237646171 497268717 /nfs/dbraw/zinc/26/87/17/497268717.db2.gz JTZLVVMEKALCMW-IIBYNOLFSA-N 1 3 364.493 3.478 20 0 FGADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189864334 497273007 /nfs/dbraw/zinc/27/30/07/497273007.db2.gz NQRGNBQENZKVQK-SFHVURJKSA-N 1 3 372.557 3.338 20 0 FGADHO c1cnn([C@@H]2CCCC[C@H]2NCCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251682738 497281147 /nfs/dbraw/zinc/28/11/47/497281147.db2.gz NSDLMROVQLUZEE-PLACYPQZSA-N 1 3 370.545 3.317 20 0 FGADHO c1cnn([C@@H]2CCCC[C@H]2[NH2+]CCCN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251682738 497281149 /nfs/dbraw/zinc/28/11/49/497281149.db2.gz NSDLMROVQLUZEE-PLACYPQZSA-N 1 3 370.545 3.317 20 0 FGADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000237868541 497304517 /nfs/dbraw/zinc/30/45/17/497304517.db2.gz RMQOVOUDRSXPIR-YTQUADARSA-N 1 3 363.571 3.374 20 0 FGADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993369 497319001 /nfs/dbraw/zinc/31/90/01/497319001.db2.gz TYMHBKQFMPPDFV-RTBURBONSA-N 1 3 361.530 3.050 20 0 FGADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993369 497319010 /nfs/dbraw/zinc/31/90/10/497319010.db2.gz TYMHBKQFMPPDFV-RTBURBONSA-N 1 3 361.530 3.050 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000190144229 497374086 /nfs/dbraw/zinc/37/40/86/497374086.db2.gz LEVCNKKLUITKQE-FQEVSTJZSA-N 1 3 360.546 3.115 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000271830696 497463475 /nfs/dbraw/zinc/46/34/75/497463475.db2.gz QUESMYGXIZZPRE-MSOLQXFVSA-N 1 3 352.544 3.093 20 0 FGADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000271830696 497463478 /nfs/dbraw/zinc/46/34/78/497463478.db2.gz QUESMYGXIZZPRE-MSOLQXFVSA-N 1 3 352.544 3.093 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583892 497465164 /nfs/dbraw/zinc/46/51/64/497465164.db2.gz ACPQZBWEHKAFJB-SJLPKXTDSA-N 1 3 364.534 3.015 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583892 497465169 /nfs/dbraw/zinc/46/51/69/497465169.db2.gz ACPQZBWEHKAFJB-SJLPKXTDSA-N 1 3 364.534 3.015 20 0 FGADHO C[N@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000271856159 497470859 /nfs/dbraw/zinc/47/08/59/497470859.db2.gz UXLBDTHAJRTSJY-UHFFFAOYSA-N 1 3 359.477 3.286 20 0 FGADHO C[N@@H+]1CC=C(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000271856159 497470862 /nfs/dbraw/zinc/47/08/62/497470862.db2.gz UXLBDTHAJRTSJY-UHFFFAOYSA-N 1 3 359.477 3.286 20 0 FGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271862222 497473742 /nfs/dbraw/zinc/47/37/42/497473742.db2.gz KSSVOEZMYODRKT-GFCCVEGCSA-N 1 3 367.287 3.303 20 0 FGADHO CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261987054 497487455 /nfs/dbraw/zinc/48/74/55/497487455.db2.gz XMFMUNOFAGGYKW-IHPCNDPISA-N 1 3 355.526 3.060 20 0 FGADHO CC[N@@H+]1CC[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652735 497490103 /nfs/dbraw/zinc/49/01/03/497490103.db2.gz BUACBRLMAJXVIQ-PGRDOPGGSA-N 1 3 356.558 3.361 20 0 FGADHO CC[N@H+]1CC[C@@H](Nc2cccc(N3CCN(CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652735 497490108 /nfs/dbraw/zinc/49/01/08/497490108.db2.gz BUACBRLMAJXVIQ-PGRDOPGGSA-N 1 3 356.558 3.361 20 0 FGADHO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](N)c1ccccc1 ZINC000262627565 497586827 /nfs/dbraw/zinc/58/68/27/497586827.db2.gz COMNDICWKFMTOP-UWJYYQICSA-N 1 3 351.494 3.235 20 0 FGADHO C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578334212 505917664 /nfs/dbraw/zinc/91/76/64/505917664.db2.gz CZKOWRIZTIJJFT-NNMXDRDESA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334212 505917665 /nfs/dbraw/zinc/91/76/65/505917665.db2.gz CZKOWRIZTIJJFT-NNMXDRDESA-N 1 3 357.542 3.134 20 0 FGADHO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000578334212 505917666 /nfs/dbraw/zinc/91/76/66/505917666.db2.gz CZKOWRIZTIJJFT-NNMXDRDESA-N 1 3 357.542 3.134 20 0 FGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388370 497615474 /nfs/dbraw/zinc/61/54/74/497615474.db2.gz ISKBOIWIFNERMF-CTNGQTDRSA-N 1 3 370.541 3.273 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138198 505918249 /nfs/dbraw/zinc/91/82/49/505918249.db2.gz KITOXGAPAJZFHZ-QKLQHJQFSA-N 1 3 368.949 3.143 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138198 505918251 /nfs/dbraw/zinc/91/82/51/505918251.db2.gz KITOXGAPAJZFHZ-QKLQHJQFSA-N 1 3 368.949 3.143 20 0 FGADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000280024499 497623806 /nfs/dbraw/zinc/62/38/06/497623806.db2.gz HRGBEECFWZAFDT-UHFFFAOYSA-N 1 3 365.521 3.276 20 0 FGADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000272538780 497655536 /nfs/dbraw/zinc/65/55/36/497655536.db2.gz CEYSSPCXFHLFDO-QFBILLFUSA-N 1 3 370.493 3.410 20 0 FGADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246241121 497671828 /nfs/dbraw/zinc/67/18/28/497671828.db2.gz DGAFEDINOUWMMK-PZJWPPBQSA-N 1 3 351.494 3.057 20 0 FGADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](N)c1ccccc1 ZINC000246241121 497671831 /nfs/dbraw/zinc/67/18/31/497671831.db2.gz DGAFEDINOUWMMK-PZJWPPBQSA-N 1 3 351.494 3.057 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1 ZINC000276948361 497695652 /nfs/dbraw/zinc/69/56/52/497695652.db2.gz IMDQQIPGYFAWNY-UHFFFAOYSA-N 1 3 370.541 3.296 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@@H](C)C1 ZINC000246332514 497698642 /nfs/dbraw/zinc/69/86/42/497698642.db2.gz DAIZZPHYCUPGDH-SESVDKBCSA-N 1 3 372.557 3.195 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@@H](C)C1 ZINC000246332514 497698649 /nfs/dbraw/zinc/69/86/49/497698649.db2.gz DAIZZPHYCUPGDH-SESVDKBCSA-N 1 3 372.557 3.195 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000246332667 497699077 /nfs/dbraw/zinc/69/90/77/497699077.db2.gz BERYCLKKYGRIOD-PMACEKPBSA-N 1 3 364.578 3.301 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000246332667 497699081 /nfs/dbraw/zinc/69/90/81/497699081.db2.gz BERYCLKKYGRIOD-PMACEKPBSA-N 1 3 364.578 3.301 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246335969 497700213 /nfs/dbraw/zinc/70/02/13/497700213.db2.gz OPOMJUHBLQAZGK-PXNSSMCTSA-N 1 3 360.546 3.153 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979262 497706044 /nfs/dbraw/zinc/70/60/44/497706044.db2.gz YZMJPLWHCCUQKN-XJKSGUPXSA-N 1 3 359.495 3.169 20 0 FGADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979262 497706047 /nfs/dbraw/zinc/70/60/47/497706047.db2.gz YZMJPLWHCCUQKN-XJKSGUPXSA-N 1 3 359.495 3.169 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736574 497717320 /nfs/dbraw/zinc/71/73/20/497717320.db2.gz JURRQJUNMSECQB-ZHRRBRCNSA-N 1 3 352.478 3.134 20 0 FGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736574 497717325 /nfs/dbraw/zinc/71/73/25/497717325.db2.gz JURRQJUNMSECQB-ZHRRBRCNSA-N 1 3 352.478 3.134 20 0 FGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCCO2 ZINC000246462949 497742003 /nfs/dbraw/zinc/74/20/03/497742003.db2.gz PYJVVCBKOYFVOK-FFZOFVMBSA-N 1 3 374.525 3.266 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000272854475 497745399 /nfs/dbraw/zinc/74/53/99/497745399.db2.gz IGQDMQSILKNYBH-UWJYYQICSA-N 1 3 354.494 3.421 20 0 FGADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000272854475 497745402 /nfs/dbraw/zinc/74/54/02/497745402.db2.gz IGQDMQSILKNYBH-UWJYYQICSA-N 1 3 354.494 3.421 20 0 FGADHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231784 497750647 /nfs/dbraw/zinc/75/06/47/497750647.db2.gz FUROKOXQMWVRIV-BBWFWOEESA-N 1 3 350.551 3.487 20 0 FGADHO C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000246495798 497753418 /nfs/dbraw/zinc/75/34/18/497753418.db2.gz PQFGZESOPIBGFN-LBFURVHYSA-N 1 3 355.526 3.030 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246531192 497765335 /nfs/dbraw/zinc/76/53/35/497765335.db2.gz VTMDOUDKKPQIHG-HLAWJBBLSA-N 1 3 374.573 3.441 20 0 FGADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246531192 497765337 /nfs/dbraw/zinc/76/53/37/497765337.db2.gz VTMDOUDKKPQIHG-HLAWJBBLSA-N 1 3 374.573 3.441 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000246568707 497777132 /nfs/dbraw/zinc/77/71/32/497777132.db2.gz ZHWAWQLSNMQIHH-TYPHKJRUSA-N 1 3 372.557 3.256 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000246568707 497777133 /nfs/dbraw/zinc/77/71/33/497777133.db2.gz ZHWAWQLSNMQIHH-TYPHKJRUSA-N 1 3 372.557 3.256 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229245 497782937 /nfs/dbraw/zinc/78/29/37/497782937.db2.gz OPARCIWBONVAAF-IPELMVKDSA-N 1 3 354.922 3.195 20 0 FGADHO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(Cl)cc1 ZINC000277229245 497782942 /nfs/dbraw/zinc/78/29/42/497782942.db2.gz OPARCIWBONVAAF-IPELMVKDSA-N 1 3 354.922 3.195 20 0 FGADHO COCCN(C)CC[C@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360915 505949991 /nfs/dbraw/zinc/94/99/91/505949991.db2.gz QWARBZLADXEMST-UWJYYQICSA-N 1 3 369.509 3.146 20 0 FGADHO C[C@@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292279502 497951018 /nfs/dbraw/zinc/95/10/18/497951018.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 1 3 371.569 3.084 20 0 FGADHO C[C@@H]1CN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292279502 497951023 /nfs/dbraw/zinc/95/10/23/497951023.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 1 3 371.569 3.084 20 0 FGADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000285250427 498034114 /nfs/dbraw/zinc/03/41/14/498034114.db2.gz AMDJSWRZWHAMAH-IBGZPJMESA-N 1 3 363.546 3.161 20 0 FGADHO COc1ncccc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000569653939 505984889 /nfs/dbraw/zinc/98/48/89/505984889.db2.gz WLPZGVQYIJHXQH-PCCBWWKXSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000569653939 505984893 /nfs/dbraw/zinc/98/48/93/505984893.db2.gz WLPZGVQYIJHXQH-PCCBWWKXSA-N 1 3 351.494 3.133 20 0 FGADHO COc1ncccc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000569653939 505984897 /nfs/dbraw/zinc/98/48/97/505984897.db2.gz WLPZGVQYIJHXQH-PCCBWWKXSA-N 1 3 351.494 3.133 20 0 FGADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627998 498152451 /nfs/dbraw/zinc/15/24/51/498152451.db2.gz LDNSIWPFQSABDH-SFHVURJKSA-N 1 3 363.546 3.081 20 0 FGADHO COc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000292848891 498169978 /nfs/dbraw/zinc/16/99/78/498169978.db2.gz BSRODIZXQRDAHB-IBGZPJMESA-N 1 3 365.905 3.095 20 0 FGADHO COc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000292848891 498169983 /nfs/dbraw/zinc/16/99/83/498169983.db2.gz BSRODIZXQRDAHB-IBGZPJMESA-N 1 3 365.905 3.095 20 0 FGADHO CN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701029 505996785 /nfs/dbraw/zinc/99/67/85/505996785.db2.gz QJBPXSUOFMEZEE-FGZHOGPDSA-N 1 3 363.505 3.458 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293031219 498242503 /nfs/dbraw/zinc/24/25/03/498242503.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 1 3 365.905 3.095 20 0 FGADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293031219 498242508 /nfs/dbraw/zinc/24/25/08/498242508.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 1 3 365.905 3.095 20 0 FGADHO N[C@H](CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000360404359 498272488 /nfs/dbraw/zinc/27/24/88/498272488.db2.gz BRKHQBXNVLORKI-JOCHJYFZSA-N 1 3 365.521 3.147 20 0 FGADHO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2n1 ZINC000301811642 498274057 /nfs/dbraw/zinc/27/40/57/498274057.db2.gz BPNLGLWVBFTVLZ-DFNIBXOVSA-N 1 3 350.510 3.290 20 0 FGADHO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2n1 ZINC000301811642 498274063 /nfs/dbraw/zinc/27/40/63/498274063.db2.gz BPNLGLWVBFTVLZ-DFNIBXOVSA-N 1 3 350.510 3.290 20 0 FGADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165267 498291268 /nfs/dbraw/zinc/29/12/68/498291268.db2.gz VDFCIGAHKDQRNM-FQEVSTJZSA-N 1 3 365.949 3.209 20 0 FGADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165267 498291271 /nfs/dbraw/zinc/29/12/71/498291271.db2.gz VDFCIGAHKDQRNM-FQEVSTJZSA-N 1 3 365.949 3.209 20 0 FGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000286334125 498366758 /nfs/dbraw/zinc/36/67/58/498366758.db2.gz XZLBCMVQSKLAPY-QGZVFWFLSA-N 1 3 362.481 3.230 20 0 FGADHO CN(C)CCN(Cc1cccs1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297312946 498401166 /nfs/dbraw/zinc/40/11/66/498401166.db2.gz IGDMIIYZEBEBFO-UHFFFAOYSA-N 1 3 366.575 3.087 20 0 FGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294680 498499617 /nfs/dbraw/zinc/49/96/17/498499617.db2.gz YETYAZXASSMTRW-QUCCMNQESA-N 1 3 355.530 3.294 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000303269756 498659846 /nfs/dbraw/zinc/65/98/46/498659846.db2.gz HAOLEYCIPHJMCR-SFTDATJTSA-N 1 3 372.557 3.258 20 0 FGADHO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(OCCN(C)C)c1 ZINC000287199768 498670494 /nfs/dbraw/zinc/67/04/94/498670494.db2.gz GEPWMGQKBMMDMF-ROUUACIJSA-N 1 3 374.529 3.026 20 0 FGADHO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(OCCN(C)C)c1 ZINC000287268913 498695944 /nfs/dbraw/zinc/69/59/44/498695944.db2.gz LCCQXKGYKFSRCI-MJGOQNOKSA-N 1 3 374.529 3.026 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000287300779 498706990 /nfs/dbraw/zinc/70/69/90/498706990.db2.gz DPLJYTOCAVZSQD-RDJZCZTQSA-N 1 3 350.503 3.164 20 0 FGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000287300779 498706994 /nfs/dbraw/zinc/70/69/94/498706994.db2.gz DPLJYTOCAVZSQD-RDJZCZTQSA-N 1 3 350.503 3.164 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424424 498751186 /nfs/dbraw/zinc/75/11/86/498751186.db2.gz FQZZBEBSUQEYHA-RBUKOAKNSA-N 1 3 374.912 3.191 20 0 FGADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424424 498751192 /nfs/dbraw/zinc/75/11/92/498751192.db2.gz FQZZBEBSUQEYHA-RBUKOAKNSA-N 1 3 374.912 3.191 20 0 FGADHO NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000570077658 506084808 /nfs/dbraw/zinc/08/48/08/506084808.db2.gz HMRDLQXLDPASAW-BHIFYINESA-N 1 3 371.569 3.165 20 0 FGADHO NC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000311953569 498756551 /nfs/dbraw/zinc/75/65/51/498756551.db2.gz KBJOUGBPKUDMMQ-FQEVSTJZSA-N 1 3 351.494 3.177 20 0 FGADHO COC(=O)c1cc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)n(C)c1C ZINC000312251202 498758239 /nfs/dbraw/zinc/75/82/39/498758239.db2.gz AAILZDHWTQNYMO-LJQANCHMSA-N 1 3 369.509 3.122 20 0 FGADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000325510508 498836707 /nfs/dbraw/zinc/83/67/07/498836707.db2.gz IIIIXTWJLXNOFC-UHFFFAOYSA-N 1 3 374.312 3.152 20 0 FGADHO CC1CC[NH+](CCC[C@H](NCCn2cncn2)c2ccc(F)cc2)CC1 ZINC000291219242 498848545 /nfs/dbraw/zinc/84/85/45/498848545.db2.gz NGJBZCQOXXOEME-FQEVSTJZSA-N 1 3 359.493 3.260 20 0 FGADHO N[C@@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416759 498916939 /nfs/dbraw/zinc/91/69/39/498916939.db2.gz ZHCYYFCKSLWJBD-CTNGQTDRSA-N 1 3 351.494 3.105 20 0 FGADHO N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416759 498916949 /nfs/dbraw/zinc/91/69/49/498916949.db2.gz ZHCYYFCKSLWJBD-CTNGQTDRSA-N 1 3 351.494 3.105 20 0 FGADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008556 506111722 /nfs/dbraw/zinc/11/17/22/506111722.db2.gz RHAZRYMFYCMTOO-HXUWFJFHSA-N 1 3 372.557 3.058 20 0 FGADHO CN1CCC([NH+]2CCC(N[C@H]3CSCCc4ccccc43)CC2)CC1 ZINC000363788245 498992327 /nfs/dbraw/zinc/99/23/27/498992327.db2.gz ZLULMPWYVUIOPC-NRFANRHFSA-N 1 3 359.583 3.165 20 0 FGADHO CC1CCN([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000582068059 506126125 /nfs/dbraw/zinc/12/61/25/506126125.db2.gz VBRWECUFFOFQRG-NRFANRHFSA-N 1 3 372.557 3.230 20 0 FGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140203 506127046 /nfs/dbraw/zinc/12/70/46/506127046.db2.gz FFQDPJDSPOJALA-QGZVFWFLSA-N 1 3 350.576 3.259 20 0 FGADHO CN1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000366745366 499057790 /nfs/dbraw/zinc/05/77/90/499057790.db2.gz MVCQIZLJWNBCDY-UHFFFAOYSA-N 1 3 350.388 3.447 20 0 FGADHO c1ccc(N2CCN(CCCC[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000367088173 499146574 /nfs/dbraw/zinc/14/65/74/499146574.db2.gz ULPZPSNSVFBSSR-NRFANRHFSA-N 1 3 357.542 3.138 20 0 FGADHO CCCCc1nc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367616460 499218217 /nfs/dbraw/zinc/21/82/17/499218217.db2.gz GXOHDVDJOISVNN-SFHVURJKSA-N 1 3 350.576 3.086 20 0 FGADHO Cc1ccc(-c2cc(CN(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680391 499224120 /nfs/dbraw/zinc/22/41/20/499224120.db2.gz ARXSLYDQEVVZAG-HXUWFJFHSA-N 1 3 368.525 3.250 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000370596841 499234572 /nfs/dbraw/zinc/23/45/72/499234572.db2.gz KPSSXGRMJBBADI-UHFFFAOYSA-N 1 3 359.539 3.111 20 0 FGADHO CC(=O)Oc1ccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000367888516 499241788 /nfs/dbraw/zinc/24/17/88/499241788.db2.gz XZGVAVUCKLKXEN-UHFFFAOYSA-N 1 3 353.466 3.355 20 0 FGADHO CC(=O)Oc1ccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)cc1 ZINC000367888516 499241790 /nfs/dbraw/zinc/24/17/90/499241790.db2.gz XZGVAVUCKLKXEN-UHFFFAOYSA-N 1 3 353.466 3.355 20 0 FGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368493203 499301596 /nfs/dbraw/zinc/30/15/96/499301596.db2.gz IBJUJKNBHODKQL-ICSRJNTNSA-N 1 3 352.526 3.314 20 0 FGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2c(c1)CNC2 ZINC000576372056 506142253 /nfs/dbraw/zinc/14/22/53/506142253.db2.gz XITXVXMXUYNGHK-UHFFFAOYSA-N 1 3 350.466 3.207 20 0 FGADHO c1cc(C[C@@H]2CCN(CCC[N@@H+]3CC[C@@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772772 499330870 /nfs/dbraw/zinc/33/08/70/499330870.db2.gz ACJIUDOMDVQNNH-GOTSBHOMSA-N 1 3 364.537 3.296 20 0 FGADHO c1cc(C[C@@H]2CCN(CCC[N@H+]3CC[C@@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368772772 499330872 /nfs/dbraw/zinc/33/08/72/499330872.db2.gz ACJIUDOMDVQNNH-GOTSBHOMSA-N 1 3 364.537 3.296 20 0 FGADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC000373034897 499448175 /nfs/dbraw/zinc/44/81/75/499448175.db2.gz KBZHHDJBGWOUFY-IBGZPJMESA-N 1 3 357.542 3.332 20 0 FGADHO CN1CCC(N2CC[C@H]([N@H+](C)CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214353 499496165 /nfs/dbraw/zinc/49/61/65/499496165.db2.gz FPRZJJTXRVPUMA-HTWSVDAQSA-N 1 3 361.496 3.455 20 0 FGADHO CN1CCC(N2CC[C@H]([N@@H+](C)CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214353 499496167 /nfs/dbraw/zinc/49/61/67/499496167.db2.gz FPRZJJTXRVPUMA-HTWSVDAQSA-N 1 3 361.496 3.455 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000378339139 499503540 /nfs/dbraw/zinc/50/35/40/499503540.db2.gz DQRFIGRWRKBDJP-KNQAVFIVSA-N 1 3 371.569 3.466 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000378339139 499503542 /nfs/dbraw/zinc/50/35/42/499503542.db2.gz DQRFIGRWRKBDJP-KNQAVFIVSA-N 1 3 371.569 3.466 20 0 FGADHO CN(c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2)C1CCN(C)CC1 ZINC000375301185 499504888 /nfs/dbraw/zinc/50/48/88/499504888.db2.gz FKKXFURILDWORN-JOCHJYFZSA-N 1 3 357.542 3.220 20 0 FGADHO CN(c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2)C1CCN(C)CC1 ZINC000375301185 499504889 /nfs/dbraw/zinc/50/48/89/499504889.db2.gz FKKXFURILDWORN-JOCHJYFZSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654146 499542190 /nfs/dbraw/zinc/54/21/90/499542190.db2.gz HMMJQFSPWWUINM-MISYRCLQSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654146 499542191 /nfs/dbraw/zinc/54/21/91/499542191.db2.gz HMMJQFSPWWUINM-MISYRCLQSA-N 1 3 372.484 3.208 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CNCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379660708 499542950 /nfs/dbraw/zinc/54/29/50/499542950.db2.gz CTACDIMKQYTZKU-ZNLUXHQJSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CNCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660708 499542952 /nfs/dbraw/zinc/54/29/52/499542952.db2.gz CTACDIMKQYTZKU-ZNLUXHQJSA-N 1 3 363.505 3.043 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717833 499546215 /nfs/dbraw/zinc/54/62/15/499546215.db2.gz IHURDKMKNNCNSB-LBFURVHYSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1 ZINC000398058005 499566095 /nfs/dbraw/zinc/56/60/95/499566095.db2.gz LSIGCNMFHVKYLH-QMMLZNLJSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CC1CCCCC1 ZINC000398058005 499566096 /nfs/dbraw/zinc/56/60/96/499566096.db2.gz LSIGCNMFHVKYLH-QMMLZNLJSA-N 1 3 357.542 3.311 20 0 FGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)C1 ZINC000376982967 499651540 /nfs/dbraw/zinc/65/15/40/499651540.db2.gz PASYKSUCXXBHIY-FXAWDEMLSA-N 1 3 357.546 3.078 20 0 FGADHO O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173758 499706719 /nfs/dbraw/zinc/70/67/19/499706719.db2.gz NPPIFKFYJREEFN-JOCHJYFZSA-N 1 3 369.553 3.411 20 0 FGADHO CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411278361 499720786 /nfs/dbraw/zinc/72/07/86/499720786.db2.gz AGKOFLMMRCOYFF-VXKWHMMOSA-N 1 3 372.553 3.424 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000377731327 499725898 /nfs/dbraw/zinc/72/58/98/499725898.db2.gz DGUDJXIKNQKISL-QFIPXVFZSA-N 1 3 371.569 3.086 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[N@@H+]1C ZINC000377928308 499748788 /nfs/dbraw/zinc/74/87/88/499748788.db2.gz XKXRESZPPNNIPM-PCODUJHASA-N 1 3 363.933 3.179 20 0 FGADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928308 499748789 /nfs/dbraw/zinc/74/87/89/499748789.db2.gz XKXRESZPPNNIPM-PCODUJHASA-N 1 3 363.933 3.179 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411527368 499751273 /nfs/dbraw/zinc/75/12/73/499751273.db2.gz FVXUHXGVZVVYKM-QRVBRYPASA-N 1 3 357.542 3.134 20 0 FGADHO Oc1cccc2c1CCC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310471 499776501 /nfs/dbraw/zinc/77/65/01/499776501.db2.gz TWYMOKYXCJEFQN-NRFANRHFSA-N 1 3 366.505 3.386 20 0 FGADHO CC1(C)CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414325861 499777846 /nfs/dbraw/zinc/77/78/46/499777846.db2.gz MWVZWMARLGSXIE-UHFFFAOYSA-N 1 3 357.542 3.442 20 0 FGADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414342937 499779349 /nfs/dbraw/zinc/77/93/49/499779349.db2.gz PVFIZMNKHWAHLG-PMACEKPBSA-N 1 3 357.542 3.298 20 0 FGADHO CCCn1nc(C)c(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000414532110 499804265 /nfs/dbraw/zinc/80/42/65/499804265.db2.gz ALSMYGBXQYMYNZ-UHFFFAOYSA-N 1 3 370.541 3.027 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC(C)(C)C[C@@H]2C)CC1 ZINC000412044459 499816564 /nfs/dbraw/zinc/81/65/64/499816564.db2.gz OOTGOHZOLRBEQO-SFHVURJKSA-N 1 3 357.542 3.196 20 0 FGADHO CCCCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414744510 499825935 /nfs/dbraw/zinc/82/59/35/499825935.db2.gz WMQJSMGALNLMTQ-QGZVFWFLSA-N 1 3 371.525 3.405 20 0 FGADHO CCCCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414744510 499825936 /nfs/dbraw/zinc/82/59/36/499825936.db2.gz WMQJSMGALNLMTQ-QGZVFWFLSA-N 1 3 371.525 3.405 20 0 FGADHO COc1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771742 499828981 /nfs/dbraw/zinc/82/89/81/499828981.db2.gz AIXFKOZWQPDDJD-ZIAGYGMSSA-N 1 3 353.304 3.279 20 0 FGADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882829 499840942 /nfs/dbraw/zinc/84/09/42/499840942.db2.gz UPDOOUHRWNOEEA-ZJUUUORDSA-N 1 3 351.800 3.260 20 0 FGADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414882829 499840944 /nfs/dbraw/zinc/84/09/44/499840944.db2.gz UPDOOUHRWNOEEA-ZJUUUORDSA-N 1 3 351.800 3.260 20 0 FGADHO CC1(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000414907233 499843711 /nfs/dbraw/zinc/84/37/11/499843711.db2.gz QDKZNGZOBRKAQK-QGZVFWFLSA-N 1 3 352.906 3.377 20 0 FGADHO Brc1ccccc1CN1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000415071994 499860570 /nfs/dbraw/zinc/86/05/70/499860570.db2.gz UZUNKFSQCXNJIW-KRWDZBQOSA-N 1 3 366.347 3.145 20 0 FGADHO Brc1ccccc1CN1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415071994 499860572 /nfs/dbraw/zinc/86/05/72/499860572.db2.gz UZUNKFSQCXNJIW-KRWDZBQOSA-N 1 3 366.347 3.145 20 0 FGADHO COc1ccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1OC ZINC000415075307 499861071 /nfs/dbraw/zinc/86/10/71/499861071.db2.gz BGOPMCMJKNYDIA-RDJZCZTQSA-N 1 3 350.503 3.155 20 0 FGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000415124427 499866739 /nfs/dbraw/zinc/86/67/39/499866739.db2.gz KFAWNPSAMNHPFG-ZWKOTPCHSA-N 1 3 372.431 3.346 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H](C)NC[C@@H]3C)c2)CC1 ZINC000415386803 499890680 /nfs/dbraw/zinc/89/06/80/499890680.db2.gz GKZUHAJUXKLNSV-MSOLQXFVSA-N 1 3 358.530 3.175 20 0 FGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H](C)NC[C@H]3C)c2)CC1 ZINC000415386807 499890697 /nfs/dbraw/zinc/89/06/97/499890697.db2.gz GKZUHAJUXKLNSV-QZTJIDSGSA-N 1 3 358.530 3.175 20 0 FGADHO CN(C)CCc1ccccc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000415573798 499903340 /nfs/dbraw/zinc/90/33/40/499903340.db2.gz OIFSMCQYMCDDBK-UHFFFAOYSA-N 1 3 370.541 3.066 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000415903230 499926083 /nfs/dbraw/zinc/92/60/83/499926083.db2.gz PZKYEKIPTCUASE-SFHVURJKSA-N 1 3 360.889 3.484 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000415906356 499926755 /nfs/dbraw/zinc/92/67/55/499926755.db2.gz XKDYBKCIWQOOIO-HXUWFJFHSA-N 1 3 352.482 3.365 20 0 FGADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000415918254 499928287 /nfs/dbraw/zinc/92/82/87/499928287.db2.gz FRUUXFIUQNXYAR-OAQYLSRUSA-N 1 3 366.509 3.438 20 0 FGADHO COc1cc2nccc(N3C[C@@H](SC)[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000413232291 499930575 /nfs/dbraw/zinc/93/05/75/499930575.db2.gz OHOGSDFKEBZKGO-YLJYHZDGSA-N 1 3 373.522 3.268 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccco1 ZINC000415954629 499933148 /nfs/dbraw/zinc/93/31/48/499933148.db2.gz KXIYHIVVAAULAA-GUYCJALGSA-N 1 3 374.460 3.315 20 0 FGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415955421 499933165 /nfs/dbraw/zinc/93/31/65/499933165.db2.gz MMDXQJWDUVRGQQ-OAHLLOKOSA-N 1 3 358.408 3.112 20 0 FGADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000415961856 499934123 /nfs/dbraw/zinc/93/41/23/499934123.db2.gz SBOCLMXVMHPTDA-UHFFFAOYSA-N 1 3 374.504 3.201 20 0 FGADHO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415965946 499934714 /nfs/dbraw/zinc/93/47/14/499934714.db2.gz FUHYAJAPIPGAHD-UHFFFAOYSA-N 1 3 358.408 3.158 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970629 499935333 /nfs/dbraw/zinc/93/53/33/499935333.db2.gz FKLOZTHZWYBXCW-QGZVFWFLSA-N 1 3 352.482 3.274 20 0 FGADHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415977143 499936222 /nfs/dbraw/zinc/93/62/22/499936222.db2.gz WGBSPARBMVSUQW-UHFFFAOYSA-N 1 3 358.408 3.160 20 0 FGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995851 499938851 /nfs/dbraw/zinc/93/88/51/499938851.db2.gz LYNIBBLNZXNYCT-DLBZAZTESA-N 1 3 356.514 3.408 20 0 FGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415995851 499938852 /nfs/dbraw/zinc/93/88/52/499938852.db2.gz LYNIBBLNZXNYCT-DLBZAZTESA-N 1 3 356.514 3.408 20 0 FGADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416008687 499940440 /nfs/dbraw/zinc/94/04/40/499940440.db2.gz MQMVHGCXCLYBGT-NRFANRHFSA-N 1 3 364.493 3.322 20 0 FGADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416008687 499940441 /nfs/dbraw/zinc/94/04/41/499940441.db2.gz MQMVHGCXCLYBGT-NRFANRHFSA-N 1 3 364.493 3.322 20 0 FGADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)cc1 ZINC000416021077 499941702 /nfs/dbraw/zinc/94/17/02/499941702.db2.gz YJNALMGDNNOYNV-OAQYLSRUSA-N 1 3 366.509 3.438 20 0 FGADHO C[NH+](C)CCOc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000416142061 499956784 /nfs/dbraw/zinc/95/67/84/499956784.db2.gz FMGCJYDIKQOVJC-UHFFFAOYSA-N 1 3 367.493 3.014 20 0 FGADHO COc1ccc([C@H](CN(C)C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000416241030 499992068 /nfs/dbraw/zinc/99/20/68/499992068.db2.gz KRNRBDOSWXTYCP-LEWJYISDSA-N 1 3 369.509 3.107 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570449165 506169854 /nfs/dbraw/zinc/16/98/54/506169854.db2.gz NHTRRGGJTWNOEK-DLBZAZTESA-N 1 3 368.525 3.340 20 0 FGADHO CCN1CCC([N@@H+]2CCCN(CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421370382 500029540 /nfs/dbraw/zinc/02/95/40/500029540.db2.gz IOOVMXMKPQKXLS-UHFFFAOYSA-N 1 3 371.569 3.046 20 0 FGADHO CCN1CCC([N@H+]2CCCN(CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421370382 500029544 /nfs/dbraw/zinc/02/95/44/500029544.db2.gz IOOVMXMKPQKXLS-UHFFFAOYSA-N 1 3 371.569 3.046 20 0 FGADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)N(C)C)cc1 ZINC000417310926 500036490 /nfs/dbraw/zinc/03/64/90/500036490.db2.gz KYZQEIIPDFMWCT-WOJBJXKFSA-N 1 3 372.557 3.017 20 0 FGADHO Cc1ccc([C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)N(C)C)cc1 ZINC000417315276 500037142 /nfs/dbraw/zinc/03/71/42/500037142.db2.gz SAFYZMDGQYRASZ-RTWAWAEBSA-N 1 3 368.525 3.377 20 0 FGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377535 500053718 /nfs/dbraw/zinc/05/37/18/500053718.db2.gz GAGZRDFXXQHVRX-PKOBYXMFSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)C1 ZINC000417377535 500053721 /nfs/dbraw/zinc/05/37/21/500053721.db2.gz GAGZRDFXXQHVRX-PKOBYXMFSA-N 1 3 352.563 3.187 20 0 FGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000417386272 500056876 /nfs/dbraw/zinc/05/68/76/500056876.db2.gz SRHHGYAHPOMVGV-IEBWSBKVSA-N 1 3 352.563 3.187 20 0 FGADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000416789586 500120965 /nfs/dbraw/zinc/12/09/65/500120965.db2.gz DQJZHKDCFUAJNC-GOSISDBHSA-N 1 3 360.546 3.418 20 0 FGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000417616092 500125838 /nfs/dbraw/zinc/12/58/38/500125838.db2.gz ARUQUJNCYSBDJQ-MRXNPFEDSA-N 1 3 366.509 3.218 20 0 FGADHO C[C@H](CN[C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCN(C)CC1 ZINC000414068943 500143916 /nfs/dbraw/zinc/14/39/16/500143916.db2.gz IVYPNRBFXILFTD-SJORKVTESA-N 1 3 358.555 3.344 20 0 FGADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357409 506178501 /nfs/dbraw/zinc/17/85/01/506178501.db2.gz ASYNLOHSAVPSRG-UZKOGDIHSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357409 506178505 /nfs/dbraw/zinc/17/85/05/506178505.db2.gz ASYNLOHSAVPSRG-UZKOGDIHSA-N 1 3 360.542 3.152 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000573357409 506178510 /nfs/dbraw/zinc/17/85/10/506178510.db2.gz ASYNLOHSAVPSRG-UZKOGDIHSA-N 1 3 360.542 3.152 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000416910202 500154286 /nfs/dbraw/zinc/15/42/86/500154286.db2.gz YTCNPAWFFUTLJB-UHFFFAOYSA-N 1 3 372.557 3.204 20 0 FGADHO COc1ccc([C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830970 500161118 /nfs/dbraw/zinc/16/11/18/500161118.db2.gz CEKCZQKPKNWRHZ-NJDAHSKKSA-N 1 3 364.505 3.499 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000416952426 500164695 /nfs/dbraw/zinc/16/46/95/500164695.db2.gz GQXNDZONPZSPTR-UHFFFAOYSA-N 1 3 366.509 3.046 20 0 FGADHO CON1CCC([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869846 500166945 /nfs/dbraw/zinc/16/69/45/500166945.db2.gz DRWMGXBKPMXVNK-BAGYTPMASA-N 1 3 357.542 3.293 20 0 FGADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)C1CC[NH2+]CC1 ZINC000417005588 500182260 /nfs/dbraw/zinc/18/22/60/500182260.db2.gz JBFXTOKRRWAXHG-SFHVURJKSA-N 1 3 366.575 3.305 20 0 FGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892195 500193020 /nfs/dbraw/zinc/19/30/20/500193020.db2.gz RFWCSZPPHLSGPR-PXNSSMCTSA-N 1 3 360.546 3.087 20 0 FGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417892195 500193023 /nfs/dbraw/zinc/19/30/23/500193023.db2.gz RFWCSZPPHLSGPR-PXNSSMCTSA-N 1 3 360.546 3.087 20 0 FGADHO C[NH+](C)CC1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000417942126 500201502 /nfs/dbraw/zinc/20/15/02/500201502.db2.gz SJKPJKHTAKPFJJ-VYHPPPRESA-N 1 3 368.525 3.259 20 0 FGADHO CCn1cncc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417949650 500202952 /nfs/dbraw/zinc/20/29/52/500202952.db2.gz VJLGQGMCVRNVFQ-UHFFFAOYSA-N 1 3 356.514 3.064 20 0 FGADHO C[NH2+]CCC1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000418037903 500218198 /nfs/dbraw/zinc/21/81/98/500218198.db2.gz DQIYIWCQGFPZAN-JOCHJYFZSA-N 1 3 372.557 3.072 20 0 FGADHO CCCN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045551 500220084 /nfs/dbraw/zinc/22/00/84/500220084.db2.gz ONSZVIIZVWPNRE-QFIPXVFZSA-N 1 3 372.557 3.215 20 0 FGADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCC([NH+](C)C)CC1)N(C)C ZINC000422210962 500234646 /nfs/dbraw/zinc/23/46/46/500234646.db2.gz VXKLHGAVQZLMQH-KMEYYKJISA-N 1 3 360.546 3.158 20 0 FGADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000418150121 500237648 /nfs/dbraw/zinc/23/76/48/500237648.db2.gz CDXKXLLXAUJZOS-XLIONFOSSA-N 1 3 372.557 3.056 20 0 FGADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247186 500240992 /nfs/dbraw/zinc/24/09/92/500240992.db2.gz VVHTXNXWANDENH-UHFFFAOYSA-N 1 3 360.546 3.069 20 0 FGADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000418175063 500242978 /nfs/dbraw/zinc/24/29/78/500242978.db2.gz FUIAEEXEAFTWCF-SOAMZJECSA-N 1 3 360.546 3.051 20 0 FGADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000418182727 500244284 /nfs/dbraw/zinc/24/42/84/500244284.db2.gz NHFNNAAYEJTZQD-FXAWDEMLSA-N 1 3 360.546 3.017 20 0 FGADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418233568 500253720 /nfs/dbraw/zinc/25/37/20/500253720.db2.gz GUULIVDKKQWAFW-AABGKKOBSA-N 1 3 364.578 3.061 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325642 500262556 /nfs/dbraw/zinc/26/25/56/500262556.db2.gz JKKXGOQLYHJPQB-AHRSYUTCSA-N 1 3 360.546 3.182 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325642 500262558 /nfs/dbraw/zinc/26/25/58/500262558.db2.gz JKKXGOQLYHJPQB-AHRSYUTCSA-N 1 3 360.546 3.182 20 0 FGADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418449915 500277681 /nfs/dbraw/zinc/27/76/81/500277681.db2.gz SMBFCDMDTFTADT-UHFFFAOYSA-N 1 3 366.575 3.134 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000418454102 500278489 /nfs/dbraw/zinc/27/84/89/500278489.db2.gz BQHHYLNIJHLFAT-QGZVFWFLSA-N 1 3 360.546 3.360 20 0 FGADHO C[C@H](C[C@H](C)[NH3+])NCCSCCOc1cccc(Br)c1 ZINC000422716902 500289127 /nfs/dbraw/zinc/28/91/27/500289127.db2.gz UVHUDQOFQRGXSI-QWHCGFSZSA-N 1 3 361.349 3.277 20 0 FGADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418550289 500290576 /nfs/dbraw/zinc/29/05/76/500290576.db2.gz GSOAFNDVOKXLCQ-IBGZPJMESA-N 1 3 370.541 3.087 20 0 FGADHO CCC(CC)(C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)N[C@@H](C)c1ccccc1 ZINC000422760679 500295107 /nfs/dbraw/zinc/29/51/07/500295107.db2.gz LCPVAANTVSUYFO-DZFGPLHGSA-N 1 3 359.558 3.253 20 0 FGADHO CCC(CC)(CN[C@H](C1CC1)[C@@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000422760679 500295110 /nfs/dbraw/zinc/29/51/10/500295110.db2.gz LCPVAANTVSUYFO-DZFGPLHGSA-N 1 3 359.558 3.253 20 0 FGADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000422789325 500298426 /nfs/dbraw/zinc/29/84/26/500298426.db2.gz OBFQIYAXICTEKD-QHAWAJNXSA-N 1 3 356.489 3.454 20 0 FGADHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC(F)F ZINC000422812239 500301045 /nfs/dbraw/zinc/30/10/45/500301045.db2.gz QGNGTDDFFSIENA-NSHDSACASA-N 1 3 351.397 3.310 20 0 FGADHO CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418663378 500304044 /nfs/dbraw/zinc/30/40/44/500304044.db2.gz GQKFRHJRLPQKQX-ZJOUEHCJSA-N 1 3 372.557 3.058 20 0 FGADHO COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1OCc1cccnc1 ZINC000430901945 500304502 /nfs/dbraw/zinc/30/45/02/500304502.db2.gz WAZFKOSICYYSFX-UHFFFAOYSA-N 1 3 367.493 3.245 20 0 FGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000418668269 500304596 /nfs/dbraw/zinc/30/45/96/500304596.db2.gz IDCKSSVUPUMJRT-FQEVSTJZSA-N 1 3 372.513 3.141 20 0 FGADHO COc1ccccc1N1CC[C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422851986 500305844 /nfs/dbraw/zinc/30/58/44/500305844.db2.gz PXUACVKBFNFUKB-RLLQIKCJSA-N 1 3 353.510 3.070 20 0 FGADHO COc1ccccc1N1CC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422851984 500305989 /nfs/dbraw/zinc/30/59/89/500305989.db2.gz PXUACVKBFNFUKB-DFQSSKMNSA-N 1 3 353.510 3.070 20 0 FGADHO COc1cc(OC)c(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422884272 500310059 /nfs/dbraw/zinc/31/00/59/500310059.db2.gz DQVCAVQOAQCVHT-JKSUJKDBSA-N 1 3 350.503 3.155 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887306 500310797 /nfs/dbraw/zinc/31/07/97/500310797.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 1 3 371.569 3.021 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887306 500310801 /nfs/dbraw/zinc/31/08/01/500310801.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 1 3 371.569 3.021 20 0 FGADHO Brc1cccc(N2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422893817 500312240 /nfs/dbraw/zinc/31/22/40/500312240.db2.gz AVOREUFEJONKOD-JTUUTPGSSA-N 1 3 364.331 3.148 20 0 FGADHO Brc1cccc(N2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422893818 500312442 /nfs/dbraw/zinc/31/24/42/500312442.db2.gz AVOREUFEJONKOD-KTFSGNIMSA-N 1 3 364.331 3.148 20 0 FGADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)C2)c1 ZINC000422906241 500314489 /nfs/dbraw/zinc/31/44/89/500314489.db2.gz UTTXETXBJVOVIL-XYEHWOGUSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@H]1CN(CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000426804081 500322450 /nfs/dbraw/zinc/32/24/50/500322450.db2.gz RSPILWNOWDUKQY-OALUTQOASA-N 1 3 372.553 3.375 20 0 FGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCc1nc2c(s1)CCCC2 ZINC000422955341 500323460 /nfs/dbraw/zinc/32/34/60/500323460.db2.gz LWMZUSSEFDODBT-UTKZUKDTSA-N 1 3 369.534 3.410 20 0 FGADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000431017248 500323882 /nfs/dbraw/zinc/32/38/82/500323882.db2.gz OQHZYMLLJWHGEE-UTKZUKDTSA-N 1 3 367.493 3.088 20 0 FGADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)C1 ZINC000431017248 500323883 /nfs/dbraw/zinc/32/38/83/500323883.db2.gz OQHZYMLLJWHGEE-UTKZUKDTSA-N 1 3 367.493 3.088 20 0 FGADHO COc1ccc(C(=O)Nc2cccc(OCCN[C@@H](C)C[C@H](C)[NH3+])c2)cc1 ZINC000422958253 500324196 /nfs/dbraw/zinc/32/41/96/500324196.db2.gz OUYXWEJDPGLOAS-HOTGVXAUSA-N 1 3 371.481 3.042 20 0 FGADHO COC[C@H](CCC[NH3+])NCc1ccc(Br)cc1C(F)(F)F ZINC000423031565 500333032 /nfs/dbraw/zinc/33/30/32/500333032.db2.gz XCZKWLVUROJHGE-LBPRGKRZSA-N 1 3 369.225 3.311 20 0 FGADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423031188 500333246 /nfs/dbraw/zinc/33/32/46/500333246.db2.gz KSQMDFRGWYCCBK-KSZLIROESA-N 1 3 358.461 3.319 20 0 FGADHO c1ccc(COCCC2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423052487 500335681 /nfs/dbraw/zinc/33/56/81/500335681.db2.gz QBLRJHCBECDAJK-PWRODBHTSA-N 1 3 358.526 3.120 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066643 500338092 /nfs/dbraw/zinc/33/80/92/500338092.db2.gz FBQABFZPNYPUDQ-QEWYBTABSA-N 1 3 372.340 3.304 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000423066643 500338095 /nfs/dbraw/zinc/33/80/95/500338095.db2.gz FBQABFZPNYPUDQ-QEWYBTABSA-N 1 3 372.340 3.304 20 0 FGADHO Cc1cc(CN[C@H]2CC[NH2+]CC[C@@H]2C)ccc1I ZINC000423101210 500342592 /nfs/dbraw/zinc/34/25/92/500342592.db2.gz VOPVBRAELJHASJ-NHYWBVRUSA-N 1 3 358.267 3.077 20 0 FGADHO CCCN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104674 500343339 /nfs/dbraw/zinc/34/33/39/500343339.db2.gz MKHNCYONXXCRCG-UTRMSSBJSA-N 1 3 353.938 3.065 20 0 FGADHO COCCC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)c1ccc(Cl)cc1 ZINC000423111095 500343622 /nfs/dbraw/zinc/34/36/22/500343622.db2.gz VSWJIQPJBCGFLT-RGIVZKHGSA-N 1 3 354.922 3.192 20 0 FGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119483 500344670 /nfs/dbraw/zinc/34/46/70/500344670.db2.gz CNWZLEPBYXPGJJ-IUODEOHRSA-N 1 3 350.304 3.451 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423134436 500347278 /nfs/dbraw/zinc/34/72/78/500347278.db2.gz RWMUMSADFGOJFV-GRDNDAEWSA-N 1 3 367.331 3.213 20 0 FGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccccc2Br)CCC1 ZINC000423134436 500347280 /nfs/dbraw/zinc/34/72/80/500347280.db2.gz RWMUMSADFGOJFV-GRDNDAEWSA-N 1 3 367.331 3.213 20 0 FGADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000423166017 500350379 /nfs/dbraw/zinc/35/03/79/500350379.db2.gz YXYXCXIQOCYKMB-DWLFOUALSA-N 1 3 352.478 3.090 20 0 FGADHO C[C@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423192424 500353652 /nfs/dbraw/zinc/35/36/52/500353652.db2.gz VGWQZPNBDNULGP-SIKLNZKXSA-N 1 3 352.526 3.062 20 0 FGADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423199100 500354273 /nfs/dbraw/zinc/35/42/73/500354273.db2.gz JAJBJOLXECNUEA-IBGZPJMESA-N 1 3 357.502 3.059 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000419331545 500354635 /nfs/dbraw/zinc/35/46/35/500354635.db2.gz CYGCMRDOOKLUQF-GBESFXJTSA-N 1 3 357.542 3.052 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1Cc1ccccc1 ZINC000427152501 500359733 /nfs/dbraw/zinc/35/97/33/500359733.db2.gz KEMIVMLDPKVOPG-QUCCMNQESA-N 1 3 357.542 3.278 20 0 FGADHO CCc1ccc([C@H](CNC(=O)NC2CCN(C)CC2)[NH+](CC)CC)cc1 ZINC000431301759 500360793 /nfs/dbraw/zinc/36/07/93/500360793.db2.gz WQAFPTABFOEGGN-FQEVSTJZSA-N 1 3 360.546 3.025 20 0 FGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000423293929 500362452 /nfs/dbraw/zinc/36/24/52/500362452.db2.gz SNQPOLPLRIKIRG-HZPDHXFCSA-N 1 3 373.522 3.097 20 0 FGADHO CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301041 500362725 /nfs/dbraw/zinc/36/27/25/500362725.db2.gz FEKPSDJUTNSKOS-WOJBJXKFSA-N 1 3 351.494 3.103 20 0 FGADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000423355590 500366636 /nfs/dbraw/zinc/36/66/36/500366636.db2.gz IIRDCBFCRVWNKM-HNNXBMFYSA-N 1 3 357.523 3.410 20 0 FGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423445059 500375592 /nfs/dbraw/zinc/37/55/92/500375592.db2.gz BMCADORQHYDKJB-ONUMYQOESA-N 1 3 370.324 3.291 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511032 500380529 /nfs/dbraw/zinc/38/05/29/500380529.db2.gz NBCDQFPRWBJDEG-XLIONFOSSA-N 1 3 360.523 3.227 20 0 FGADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423511021 500380579 /nfs/dbraw/zinc/38/05/79/500380579.db2.gz NBCDQFPRWBJDEG-FXAWDEMLSA-N 1 3 360.523 3.227 20 0 FGADHO C[C@@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423750111 500399029 /nfs/dbraw/zinc/39/90/29/500399029.db2.gz SMBJAEGLUWCBMO-ZDUSSCGKSA-N 1 3 358.313 3.013 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406444 /nfs/dbraw/zinc/40/64/44/500406444.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406447 /nfs/dbraw/zinc/40/64/47/500406447.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 1 3 372.557 3.165 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000423837065 500409689 /nfs/dbraw/zinc/40/96/89/500409689.db2.gz GNCGINCKJXAMQD-YLJYHZDGSA-N 1 3 358.530 3.063 20 0 FGADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)CC1 ZINC000423854876 500412458 /nfs/dbraw/zinc/41/24/58/500412458.db2.gz WDTDDUOEBPDCRD-FPOVZHCZSA-N 1 3 358.530 3.063 20 0 FGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697106 500421976 /nfs/dbraw/zinc/42/19/76/500421976.db2.gz MFFGWABRSQLTBN-AEFFLSMTSA-N 1 3 361.555 3.017 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000420316263 500440035 /nfs/dbraw/zinc/44/00/35/500440035.db2.gz NARNIVCLGGGFLH-YLJYHZDGSA-N 1 3 359.901 3.037 20 0 FGADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420319978 500440773 /nfs/dbraw/zinc/44/07/73/500440773.db2.gz PUEKPSJIGNHHDJ-WOJBJXKFSA-N 1 3 359.539 3.307 20 0 FGADHO COc1ccc(-c2noc([C@H](C)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326410 500441867 /nfs/dbraw/zinc/44/18/67/500441867.db2.gz JXCNZIWXSBAQIV-BHYGNILZSA-N 1 3 356.470 3.128 20 0 FGADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346474 500445224 /nfs/dbraw/zinc/44/52/24/500445224.db2.gz YJFQMIPRMANHSQ-UXHICEINSA-N 1 3 357.542 3.135 20 0 FGADHO C[C@H]1CC2(CN1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287031 500481651 /nfs/dbraw/zinc/48/16/51/500481651.db2.gz IFDGZFLLFPDBCT-SUMWQHHRSA-N 1 3 365.880 3.048 20 0 FGADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288090 500481695 /nfs/dbraw/zinc/48/16/95/500481695.db2.gz KCTRYLXNUUNCGL-ZWKOTPCHSA-N 1 3 365.521 3.481 20 0 FGADHO Cc1ccc([C@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287646 500481902 /nfs/dbraw/zinc/48/19/02/500481902.db2.gz JIOMECSGSAPMEE-UTKZUKDTSA-N 1 3 355.526 3.026 20 0 FGADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297562 500483045 /nfs/dbraw/zinc/48/30/45/500483045.db2.gz SXUMLTSEGJHPIE-DOTOQJQBSA-N 1 3 361.555 3.048 20 0 FGADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297565 500483226 /nfs/dbraw/zinc/48/32/26/500483226.db2.gz SXUMLTSEGJHPIE-RDJZCZTQSA-N 1 3 361.555 3.048 20 0 FGADHO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428235386 500484496 /nfs/dbraw/zinc/48/44/96/500484496.db2.gz CNIUTZCTRAUMIF-BHIFYINESA-N 1 3 369.553 3.279 20 0 FGADHO N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000424362758 500492166 /nfs/dbraw/zinc/49/21/66/500492166.db2.gz AVJHIRRWLSDWJK-QZTJIDSGSA-N 1 3 366.347 3.273 20 0 FGADHO [NH3+][C@@H]1CCCC[C@H]1NC1CCN(Cc2ccccc2Br)CC1 ZINC000424362758 500492168 /nfs/dbraw/zinc/49/21/68/500492168.db2.gz AVJHIRRWLSDWJK-QZTJIDSGSA-N 1 3 366.347 3.273 20 0 FGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420776443 500497940 /nfs/dbraw/zinc/49/79/40/500497940.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420776443 500497942 /nfs/dbraw/zinc/49/79/42/500497942.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000424416314 500500085 /nfs/dbraw/zinc/50/00/85/500500085.db2.gz LHPCFXWZRGCIRA-PZJWPPBQSA-N 1 3 364.493 3.144 20 0 FGADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000428383258 500502885 /nfs/dbraw/zinc/50/28/85/500502885.db2.gz UWNQAZUHBNTGSN-OAQYLSRUSA-N 1 3 357.542 3.220 20 0 FGADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000428383258 500502889 /nfs/dbraw/zinc/50/28/89/500502889.db2.gz UWNQAZUHBNTGSN-OAQYLSRUSA-N 1 3 357.542 3.220 20 0 FGADHO C[C@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420797166 500503207 /nfs/dbraw/zinc/50/32/07/500503207.db2.gz GQVDZBGHSZIZES-RCKXYERXSA-N 1 3 372.557 3.212 20 0 FGADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420888837 500522968 /nfs/dbraw/zinc/52/29/68/500522968.db2.gz HMPDPBQEMWVRQB-KMFTYDHNSA-N 1 3 372.557 3.023 20 0 FGADHO Cc1ccc(C2CC2)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000424626080 500530524 /nfs/dbraw/zinc/53/05/24/500530524.db2.gz IRWCDICKVAUJFA-UHFFFAOYSA-N 1 3 355.526 3.161 20 0 FGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625766 500605434 /nfs/dbraw/zinc/60/54/34/500605434.db2.gz OXOCPLRBKYUSDW-MOPGFXCFSA-N 1 3 364.578 3.014 20 0 FGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442625766 500605437 /nfs/dbraw/zinc/60/54/37/500605437.db2.gz OXOCPLRBKYUSDW-MOPGFXCFSA-N 1 3 364.578 3.014 20 0 FGADHO OCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC2(CCC2)C1 ZINC000433057153 500615601 /nfs/dbraw/zinc/61/56/01/500615601.db2.gz GEBXHJNSBSQFAS-PCCBWWKXSA-N 1 3 354.538 3.429 20 0 FGADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000448235575 500737156 /nfs/dbraw/zinc/73/71/56/500737156.db2.gz YUQMQFADIXRUHY-UWJYYQICSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)C1 ZINC000448235575 500737159 /nfs/dbraw/zinc/73/71/59/500737159.db2.gz YUQMQFADIXRUHY-UWJYYQICSA-N 1 3 367.493 3.436 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000448252164 500739207 /nfs/dbraw/zinc/73/92/07/500739207.db2.gz LZHVGDACBGMKDT-JENIJYKNSA-N 1 3 364.578 3.059 20 0 FGADHO C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252164 500739210 /nfs/dbraw/zinc/73/92/10/500739210.db2.gz LZHVGDACBGMKDT-JENIJYKNSA-N 1 3 364.578 3.059 20 0 FGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740415 /nfs/dbraw/zinc/74/04/15/500740415.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 1 3 358.448 3.271 20 0 FGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740419 /nfs/dbraw/zinc/74/04/19/500740419.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 1 3 358.448 3.271 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000443652738 500750344 /nfs/dbraw/zinc/75/03/44/500750344.db2.gz LOIWOMPWEFNUJQ-QFBILLFUSA-N 1 3 362.562 3.127 20 0 FGADHO CN(C)CCN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC000438327012 500770162 /nfs/dbraw/zinc/77/01/62/500770162.db2.gz QODZDFCNAUFUPD-FQEVSTJZSA-N 1 3 364.578 3.299 20 0 FGADHO CN(C)CCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCCC1 ZINC000438327012 500770164 /nfs/dbraw/zinc/77/01/64/500770164.db2.gz QODZDFCNAUFUPD-FQEVSTJZSA-N 1 3 364.578 3.299 20 0 FGADHO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000444625302 500869159 /nfs/dbraw/zinc/86/91/59/500869159.db2.gz ZSEIKFPCIMXGOU-UHFFFAOYSA-N 1 3 352.482 3.099 20 0 FGADHO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000444625302 500869163 /nfs/dbraw/zinc/86/91/63/500869163.db2.gz ZSEIKFPCIMXGOU-UHFFFAOYSA-N 1 3 352.482 3.099 20 0 FGADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000439253815 500875036 /nfs/dbraw/zinc/87/50/36/500875036.db2.gz BREWKAUWIWRUQI-HKBOAZHASA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789881 500939414 /nfs/dbraw/zinc/93/94/14/500939414.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 1 3 355.526 3.173 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CN1Cc1ccccc1 ZINC000439789881 500939416 /nfs/dbraw/zinc/93/94/16/500939416.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 1 3 355.526 3.173 20 0 FGADHO COc1cccc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449194729 500944849 /nfs/dbraw/zinc/94/48/49/500944849.db2.gz XZGCZTUOUWMAQE-GOSISDBHSA-N 1 3 353.510 3.318 20 0 FGADHO Cc1cccn2cc(COc3ccc(CN4CC[C@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373374 500961393 /nfs/dbraw/zinc/96/13/93/500961393.db2.gz MXQZLOGTJLXSRK-HKUYNNGSSA-N 1 3 364.493 3.391 20 0 FGADHO CC[NH2+]CC1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000435377459 500962915 /nfs/dbraw/zinc/96/29/15/500962915.db2.gz BSWIGUYFNFIHBZ-UHFFFAOYSA-N 1 3 369.509 3.491 20 0 FGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382642 500964391 /nfs/dbraw/zinc/96/43/91/500964391.db2.gz DXYYXDPQCRAEGL-STZQEDGTSA-N 1 3 373.504 3.494 20 0 FGADHO C[C@@H](CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325465 500977481 /nfs/dbraw/zinc/97/74/81/500977481.db2.gz MUVRSJVLOQJWAP-HOTGVXAUSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325465 500977482 /nfs/dbraw/zinc/97/74/82/500977482.db2.gz MUVRSJVLOQJWAP-HOTGVXAUSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325465 500977484 /nfs/dbraw/zinc/97/74/84/500977484.db2.gz MUVRSJVLOQJWAP-HOTGVXAUSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325467 500977929 /nfs/dbraw/zinc/97/79/29/500977929.db2.gz MUVRSJVLOQJWAP-JKSUJKDBSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325467 500977931 /nfs/dbraw/zinc/97/79/31/500977931.db2.gz MUVRSJVLOQJWAP-JKSUJKDBSA-N 1 3 351.485 3.169 20 0 FGADHO C[C@@H](CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449325467 500977934 /nfs/dbraw/zinc/97/79/34/500977934.db2.gz MUVRSJVLOQJWAP-JKSUJKDBSA-N 1 3 351.485 3.169 20 0 FGADHO COc1cc2ccccc2cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000449326452 500978737 /nfs/dbraw/zinc/97/87/37/500978737.db2.gz VWRTUERDKRWGBD-GOSISDBHSA-N 1 3 367.537 3.449 20 0 FGADHO COc1cc2ccccc2cc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000449326452 500978740 /nfs/dbraw/zinc/97/87/40/500978740.db2.gz VWRTUERDKRWGBD-GOSISDBHSA-N 1 3 367.537 3.449 20 0 FGADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000441015954 501075489 /nfs/dbraw/zinc/07/54/89/501075489.db2.gz ZNAXIEBNKFGEKU-IBGZPJMESA-N 1 3 364.578 3.064 20 0 FGADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000441015954 501075493 /nfs/dbraw/zinc/07/54/93/501075493.db2.gz ZNAXIEBNKFGEKU-IBGZPJMESA-N 1 3 364.578 3.064 20 0 FGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781065 501085266 /nfs/dbraw/zinc/08/52/66/501085266.db2.gz ZGSFFTSCYWFIOP-BTHPGYMESA-N 1 3 360.546 3.273 20 0 FGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)CC1 ZINC000449781065 501085268 /nfs/dbraw/zinc/08/52/68/501085268.db2.gz ZGSFFTSCYWFIOP-BTHPGYMESA-N 1 3 360.546 3.273 20 0 FGADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000450386926 501108439 /nfs/dbraw/zinc/10/84/39/501108439.db2.gz IBBSMJZKZQYRHQ-OAQYLSRUSA-N 1 3 370.541 3.211 20 0 FGADHO CC(C)N(Cc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395903 501111045 /nfs/dbraw/zinc/11/10/45/501111045.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 1 3 354.510 3.008 20 0 FGADHO CC(C)N(Cc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395903 501111046 /nfs/dbraw/zinc/11/10/46/501111046.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 1 3 354.510 3.008 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441382166 501130315 /nfs/dbraw/zinc/13/03/15/501130315.db2.gz NKEROCDJCOCAJY-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000446611699 501141812 /nfs/dbraw/zinc/14/18/12/501141812.db2.gz ACGGRCVUJVGGHA-ICSRJNTNSA-N 1 3 372.557 3.338 20 0 FGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000447066260 501199658 /nfs/dbraw/zinc/19/96/58/501199658.db2.gz JLWBWWVREFGAIW-YZGWKJHDSA-N 1 3 359.562 3.022 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453083727 501265292 /nfs/dbraw/zinc/26/52/92/501265292.db2.gz GHGYGSOKLWPCGD-GFOJFJKKSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@H](CN1CCCC1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453083727 501265295 /nfs/dbraw/zinc/26/52/95/501265295.db2.gz GHGYGSOKLWPCGD-GFOJFJKKSA-N 1 3 355.526 3.030 20 0 FGADHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453103817 501269393 /nfs/dbraw/zinc/26/93/93/501269393.db2.gz DMCWSILMJIKXLL-GOSISDBHSA-N 1 3 369.557 3.011 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000457698597 501289925 /nfs/dbraw/zinc/28/99/25/501289925.db2.gz ZCIGDXYYYFICGH-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698597 501289927 /nfs/dbraw/zinc/28/99/27/501289927.db2.gz ZCIGDXYYYFICGH-WMZOPIPTSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209099 501291549 /nfs/dbraw/zinc/29/15/49/501291549.db2.gz CTABQCGIYQXIMH-VSKRKVRLSA-N 1 3 365.521 3.227 20 0 FGADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453252987 501300362 /nfs/dbraw/zinc/30/03/62/501300362.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 1 3 350.510 3.300 20 0 FGADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000453252987 501300365 /nfs/dbraw/zinc/30/03/65/501300365.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 1 3 350.510 3.300 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(OCCN(C)C)c1 ZINC000453254945 501300584 /nfs/dbraw/zinc/30/05/84/501300584.db2.gz YZEJRJKFVDTIIH-JXFKEZNVSA-N 1 3 360.473 3.020 20 0 FGADHO CC(C)N1CCN(CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000451511374 501309824 /nfs/dbraw/zinc/30/98/24/501309824.db2.gz QIKUDKLHMYBKMB-LEWJYISDSA-N 1 3 359.558 3.238 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453399817 501325019 /nfs/dbraw/zinc/32/50/19/501325019.db2.gz LQHFVRXPOBXJMW-BDTNDASRSA-N 1 3 350.510 3.360 20 0 FGADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453399817 501325020 /nfs/dbraw/zinc/32/50/20/501325020.db2.gz LQHFVRXPOBXJMW-BDTNDASRSA-N 1 3 350.510 3.360 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933691 501338139 /nfs/dbraw/zinc/33/81/39/501338139.db2.gz QLRNTULQIKSEMQ-MJGOQNOKSA-N 1 3 360.546 3.242 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000455610419 501346297 /nfs/dbraw/zinc/34/62/97/501346297.db2.gz KZNSYTOLWNANOV-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000455610419 501346301 /nfs/dbraw/zinc/34/63/01/501346301.db2.gz KZNSYTOLWNANOV-NRFANRHFSA-N 1 3 372.557 3.306 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@H+](C)C2CC2)cc1O ZINC000453591608 501356195 /nfs/dbraw/zinc/35/61/95/501356195.db2.gz CWCYCBVJNVQTRY-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO COc1cc(Br)c(CNCCCC[N@@H+](C)C2CC2)cc1O ZINC000453591608 501356199 /nfs/dbraw/zinc/35/61/99/501356199.db2.gz CWCYCBVJNVQTRY-UHFFFAOYSA-N 1 3 357.292 3.127 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681546 501364009 /nfs/dbraw/zinc/36/40/09/501364009.db2.gz PTXIALATWCUZBQ-IBGZPJMESA-N 1 3 373.545 3.229 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681546 501364010 /nfs/dbraw/zinc/36/40/10/501364010.db2.gz PTXIALATWCUZBQ-IBGZPJMESA-N 1 3 373.545 3.229 20 0 FGADHO CC1(C)COC[C@H]1NCc1cc(Cl)cc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451807195 501376159 /nfs/dbraw/zinc/37/61/59/501376159.db2.gz APMUNFAOROCYTQ-QZTJIDSGSA-N 1 3 366.933 3.369 20 0 FGADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000456206352 501474887 /nfs/dbraw/zinc/47/48/87/501474887.db2.gz QRWSMTNQNNXXGZ-SFHVURJKSA-N 1 3 363.521 3.274 20 0 FGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccsc1)[NH+]1CCCCC1 ZINC000458670367 501503640 /nfs/dbraw/zinc/50/36/40/501503640.db2.gz WSEBSUSAMZWGPW-KRWDZBQOSA-N 1 3 366.575 3.086 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000458972859 501568247 /nfs/dbraw/zinc/56/82/47/501568247.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972859 501568249 /nfs/dbraw/zinc/56/82/49/501568249.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 1 3 372.557 3.165 20 0 FGADHO CCOC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007304 501599998 /nfs/dbraw/zinc/59/99/98/501599998.db2.gz CWZMYCRQJSWZSP-NHCUHLMSSA-N 1 3 360.542 3.006 20 0 FGADHO CCOC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007304 501600001 /nfs/dbraw/zinc/60/00/01/501600001.db2.gz CWZMYCRQJSWZSP-NHCUHLMSSA-N 1 3 360.542 3.006 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459270009 501622850 /nfs/dbraw/zinc/62/28/50/501622850.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459270009 501622851 /nfs/dbraw/zinc/62/28/51/501622851.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788498 501629704 /nfs/dbraw/zinc/62/97/04/501629704.db2.gz BCBJHIGGCRQWDQ-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO CCN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459327142 501631519 /nfs/dbraw/zinc/63/15/19/501631519.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459327142 501631520 /nfs/dbraw/zinc/63/15/20/501631520.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 1 3 372.557 3.024 20 0 FGADHO COc1cccc([C@@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CCN2C2CC2)c1 ZINC000459456292 501657164 /nfs/dbraw/zinc/65/71/64/501657164.db2.gz HKNNTDSUCODZNQ-FGZHOGPDSA-N 1 3 355.526 3.189 20 0 FGADHO CC1(c2ccccc2)CC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000459469376 501659012 /nfs/dbraw/zinc/65/90/12/501659012.db2.gz SCOHMZZZMISWQU-KOENEWCDSA-N 1 3 350.506 3.463 20 0 FGADHO C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000454960856 501662626 /nfs/dbraw/zinc/66/26/26/501662626.db2.gz MLUBABZHHYVHMN-PZJWPPBQSA-N 1 3 372.557 3.215 20 0 FGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2CC(C)(C)C2)CC1 ZINC000459746083 501707795 /nfs/dbraw/zinc/70/77/95/501707795.db2.gz UIHIQKDDNYVIRV-UHFFFAOYSA-N 1 3 357.542 3.196 20 0 FGADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000477633423 501744635 /nfs/dbraw/zinc/74/46/35/501744635.db2.gz HDGBIKCWNIZMQD-KRWDZBQOSA-N 1 3 360.546 3.313 20 0 FGADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000460168293 501747245 /nfs/dbraw/zinc/74/72/45/501747245.db2.gz JNNQQGQPXQEPKZ-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000460168293 501747251 /nfs/dbraw/zinc/74/72/51/501747251.db2.gz JNNQQGQPXQEPKZ-ICSRJNTNSA-N 1 3 360.546 3.243 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c(C)c2)CC1 ZINC000477645641 501748752 /nfs/dbraw/zinc/74/87/52/501748752.db2.gz PHIXSAJJBRTNDT-IBGZPJMESA-N 1 3 372.557 3.340 20 0 FGADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c(C)c2)CC1 ZINC000477645641 501748756 /nfs/dbraw/zinc/74/87/56/501748756.db2.gz PHIXSAJJBRTNDT-IBGZPJMESA-N 1 3 372.557 3.340 20 0 FGADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479895 501832830 /nfs/dbraw/zinc/83/28/30/501832830.db2.gz WZZYCIHVWHPIKD-MOPGFXCFSA-N 1 3 357.542 3.278 20 0 FGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467862375 501892633 /nfs/dbraw/zinc/89/26/33/501892633.db2.gz HTVCFIOLPSEDIR-AWEZNQCLSA-N 1 3 371.447 3.299 20 0 FGADHO CC(C)C[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021595 501932226 /nfs/dbraw/zinc/93/22/26/501932226.db2.gz KHKSAFBAEVWUFS-DFQSSKMNSA-N 1 3 372.557 3.288 20 0 FGADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482117913 501980156 /nfs/dbraw/zinc/98/01/56/501980156.db2.gz CVSBOVRHDATCDJ-NRFANRHFSA-N 1 3 366.509 3.097 20 0 FGADHO CN(C)Cc1ccccc1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000486185466 502076986 /nfs/dbraw/zinc/07/69/86/502076986.db2.gz RYMPCJLGLKNSPG-UHFFFAOYSA-N 1 3 369.509 3.009 20 0 FGADHO CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475180267 502092501 /nfs/dbraw/zinc/09/25/01/502092501.db2.gz XTDZAVKFHDEGFX-NJYVYQBISA-N 1 3 372.557 3.165 20 0 FGADHO COc1cccc2c1CC[C@H]2[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000482542428 502106304 /nfs/dbraw/zinc/10/63/04/502106304.db2.gz IPVDMZCUABMFFP-OAQYLSRUSA-N 1 3 354.494 3.455 20 0 FGADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568544 502113918 /nfs/dbraw/zinc/11/39/18/502113918.db2.gz HFUURTMIQGOGEP-CRAIPNDOSA-N 1 3 371.550 3.456 20 0 FGADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568544 502113921 /nfs/dbraw/zinc/11/39/21/502113921.db2.gz HFUURTMIQGOGEP-CRAIPNDOSA-N 1 3 371.550 3.456 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000479270112 502212401 /nfs/dbraw/zinc/21/24/01/502212401.db2.gz DNHIUCSLLVQOHH-DOADOZAASA-N 1 3 360.546 3.240 20 0 FGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000479270112 502212402 /nfs/dbraw/zinc/21/24/02/502212402.db2.gz DNHIUCSLLVQOHH-DOADOZAASA-N 1 3 360.546 3.240 20 0 FGADHO CCCN1CCN(c2ccccc2CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475564239 502213983 /nfs/dbraw/zinc/21/39/83/502213983.db2.gz JJDQWEIXRSPBKJ-UHFFFAOYSA-N 1 3 370.585 3.325 20 0 FGADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000472089875 502227410 /nfs/dbraw/zinc/22/74/10/502227410.db2.gz XFZQUFPMCJCLKH-TZIWHRDSSA-N 1 3 372.557 3.024 20 0 FGADHO COCC[N@H+](C)CCCN[C@H]1CCCc2cc(Br)ccc21 ZINC000479357041 502234544 /nfs/dbraw/zinc/23/45/44/502234544.db2.gz JFHAXTWQOJZFAX-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO COCC[N@@H+](C)CCCN[C@H]1CCCc2cc(Br)ccc21 ZINC000479357041 502234549 /nfs/dbraw/zinc/23/45/49/502234549.db2.gz JFHAXTWQOJZFAX-KRWDZBQOSA-N 1 3 355.320 3.384 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557175 502306791 /nfs/dbraw/zinc/30/67/91/502306791.db2.gz DUYSENJQQISHJJ-OAQYLSRUSA-N 1 3 372.557 3.202 20 0 FGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000462107553 502309566 /nfs/dbraw/zinc/30/95/66/502309566.db2.gz APGVHUPSFXUOFI-INIZCTEOSA-N 1 3 352.482 3.469 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000469138132 502312071 /nfs/dbraw/zinc/31/20/71/502312071.db2.gz QHTQZIPLPHBVBM-TZIWHRDSSA-N 1 3 372.557 3.159 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000469138132 502312076 /nfs/dbraw/zinc/31/20/76/502312076.db2.gz QHTQZIPLPHBVBM-TZIWHRDSSA-N 1 3 372.557 3.159 20 0 FGADHO Clc1csc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000486960876 502316509 /nfs/dbraw/zinc/31/65/09/502316509.db2.gz BOCKQHMZVYFCMS-UHFFFAOYSA-N 1 3 350.919 3.098 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486960513 502316761 /nfs/dbraw/zinc/31/67/61/502316761.db2.gz ATIQBZNUXLUZMA-WAYWQWQTSA-N 1 3 350.510 3.022 20 0 FGADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465604113 502323068 /nfs/dbraw/zinc/32/30/68/502323068.db2.gz ULESXYCBWJUPGX-GHTZIAJQSA-N 1 3 372.557 3.297 20 0 FGADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581825 502390840 /nfs/dbraw/zinc/39/08/40/502390840.db2.gz PYTFCCYRCAONGT-NHCUHLMSSA-N 1 3 365.606 3.462 20 0 FGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCCC2 ZINC000472581825 502390843 /nfs/dbraw/zinc/39/08/43/502390843.db2.gz PYTFCCYRCAONGT-NHCUHLMSSA-N 1 3 365.606 3.462 20 0 FGADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000479835508 502392531 /nfs/dbraw/zinc/39/25/31/502392531.db2.gz BBCXIEXMQNNEQP-RTBURBONSA-N 1 3 373.541 3.258 20 0 FGADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465846405 502401160 /nfs/dbraw/zinc/40/11/60/502401160.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465846405 502401165 /nfs/dbraw/zinc/40/11/65/502401165.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 1 3 360.546 3.023 20 0 FGADHO CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465944271 502434857 /nfs/dbraw/zinc/43/48/57/502434857.db2.gz XOPWVFLAOWGBNR-NHCUHLMSSA-N 1 3 374.573 3.065 20 0 FGADHO CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465944271 502434862 /nfs/dbraw/zinc/43/48/62/502434862.db2.gz XOPWVFLAOWGBNR-NHCUHLMSSA-N 1 3 374.573 3.065 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017716 502455755 /nfs/dbraw/zinc/45/57/55/502455755.db2.gz PIJHAHJZNLBTDQ-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017716 502455760 /nfs/dbraw/zinc/45/57/60/502455760.db2.gz PIJHAHJZNLBTDQ-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042112 502464095 /nfs/dbraw/zinc/46/40/95/502464095.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC000466042112 502464096 /nfs/dbraw/zinc/46/40/96/502464096.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 1 3 372.557 3.023 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466084920 502475275 /nfs/dbraw/zinc/47/52/75/502475275.db2.gz LNACSDLPCDFPOY-AQNXPRMDSA-N 1 3 364.578 3.013 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466084920 502475279 /nfs/dbraw/zinc/47/52/79/502475279.db2.gz LNACSDLPCDFPOY-AQNXPRMDSA-N 1 3 364.578 3.013 20 0 FGADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000480139715 502481944 /nfs/dbraw/zinc/48/19/44/502481944.db2.gz IQPKFDSTGBXOMS-GOSISDBHSA-N 1 3 353.510 3.436 20 0 FGADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536817 /nfs/dbraw/zinc/53/68/17/502536817.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536822 /nfs/dbraw/zinc/53/68/22/502536822.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 1 3 360.546 3.024 20 0 FGADHO COC(=O)c1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)n(C)c1C ZINC000462775127 502565143 /nfs/dbraw/zinc/56/51/43/502565143.db2.gz GWLXVVRRIKLNDX-UHFFFAOYSA-N 1 3 357.498 3.250 20 0 FGADHO COC(=O)c1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)n(C)c1C ZINC000462775127 502565149 /nfs/dbraw/zinc/56/51/49/502565149.db2.gz GWLXVVRRIKLNDX-UHFFFAOYSA-N 1 3 357.498 3.250 20 0 FGADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869168 502576439 /nfs/dbraw/zinc/57/64/39/502576439.db2.gz CJIHMNBPLIJJOR-QZTJIDSGSA-N 1 3 359.514 3.281 20 0 FGADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000480475560 502577996 /nfs/dbraw/zinc/57/79/96/502577996.db2.gz YARCKVLKINMCMX-QFIPXVFZSA-N 1 3 359.558 3.249 20 0 FGADHO COc1cccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc2)c1 ZINC000484183080 502594619 /nfs/dbraw/zinc/59/46/19/502594619.db2.gz YZSBQIQRZPEARE-OAQYLSRUSA-N 1 3 354.494 3.025 20 0 FGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584093 502610712 /nfs/dbraw/zinc/61/07/12/502610712.db2.gz PEAYUQUYJWZNDX-VWPQPMDRSA-N 1 3 359.558 3.158 20 0 FGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480614395 502621343 /nfs/dbraw/zinc/62/13/43/502621343.db2.gz PNAWQJXCRZWQKD-RZUBCFFCSA-N 1 3 359.558 3.303 20 0 FGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480641691 502630191 /nfs/dbraw/zinc/63/01/91/502630191.db2.gz QKBXCFXUJJYJNF-KRWDZBQOSA-N 1 3 367.559 3.221 20 0 FGADHO C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CCN1Cc1ccccc1 ZINC000476989310 502643715 /nfs/dbraw/zinc/64/37/15/502643715.db2.gz MBKNEORUTNSIFG-TZIWHRDSSA-N 1 3 372.557 3.071 20 0 FGADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027297 502664956 /nfs/dbraw/zinc/66/49/56/502664956.db2.gz GEJAIPYAKWGOEP-SJLPKXTDSA-N 1 3 361.530 3.102 20 0 FGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000484591102 502679014 /nfs/dbraw/zinc/67/90/14/502679014.db2.gz NGRLZIUBTWHFDP-DOADOZAASA-N 1 3 360.546 3.097 20 0 FGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000484591102 502679019 /nfs/dbraw/zinc/67/90/19/502679019.db2.gz NGRLZIUBTWHFDP-DOADOZAASA-N 1 3 360.546 3.097 20 0 FGADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000488390281 502701497 /nfs/dbraw/zinc/70/14/97/502701497.db2.gz LWVRRKHTTBFTTO-NRFANRHFSA-N 1 3 362.558 3.405 20 0 FGADHO C[C@@H](NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183990 502701702 /nfs/dbraw/zinc/70/17/02/502701702.db2.gz BMUCCOITPPDLEI-YLJYHZDGSA-N 1 3 374.573 3.173 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914402 502703554 /nfs/dbraw/zinc/70/35/54/502703554.db2.gz VMENRUUGWCHHAF-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO Cc1cccc(C(=O)NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914402 502703559 /nfs/dbraw/zinc/70/35/59/502703559.db2.gz VMENRUUGWCHHAF-UGKGYDQZSA-N 1 3 365.521 3.225 20 0 FGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026304 502732014 /nfs/dbraw/zinc/73/20/14/502732014.db2.gz RLFBXOBVXAFLLN-GHTZIAJQSA-N 1 3 354.494 3.373 20 0 FGADHO CN(C)[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCSC1 ZINC000463241059 502733364 /nfs/dbraw/zinc/73/33/64/502733364.db2.gz ZUVIUEGWZWIPTE-VTHDOGFWSA-N 1 3 359.583 3.209 20 0 FGADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000477342547 502748790 /nfs/dbraw/zinc/74/87/90/502748790.db2.gz RYGZVIVVBKVFBN-FPOVZHCZSA-N 1 3 372.557 3.167 20 0 FGADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470363139 502750647 /nfs/dbraw/zinc/75/06/47/502750647.db2.gz NHCQNMDALZJSPW-UHFFFAOYSA-N 1 3 367.518 3.399 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000481104933 502754952 /nfs/dbraw/zinc/75/49/52/502754952.db2.gz JRFQNUKSULSZOH-QTEQDKRBSA-N 1 3 373.585 3.160 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000481104933 502754954 /nfs/dbraw/zinc/75/49/54/502754954.db2.gz JRFQNUKSULSZOH-QTEQDKRBSA-N 1 3 373.585 3.160 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762082 /nfs/dbraw/zinc/76/20/82/502762082.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 1 3 370.541 3.090 20 0 FGADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762084 /nfs/dbraw/zinc/76/20/84/502762084.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 1 3 370.541 3.090 20 0 FGADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC000481177073 502774357 /nfs/dbraw/zinc/77/43/57/502774357.db2.gz YRSFQYBWPLBOBS-GHTZIAJQSA-N 1 3 363.505 3.076 20 0 FGADHO CCOCCC[N@@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000481187184 502777281 /nfs/dbraw/zinc/77/72/81/502777281.db2.gz FKPNARPFKTVTTO-ZJOUEHCJSA-N 1 3 359.558 3.164 20 0 FGADHO CCOCCC[N@H+]1CC[C@H](NCCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000481187184 502777285 /nfs/dbraw/zinc/77/72/85/502777285.db2.gz FKPNARPFKTVTTO-ZJOUEHCJSA-N 1 3 359.558 3.164 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014855 502779143 /nfs/dbraw/zinc/77/91/43/502779143.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N(C)CCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014855 502779147 /nfs/dbraw/zinc/77/91/47/502779147.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 1 3 372.557 3.023 20 0 FGADHO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000504888230 502819159 /nfs/dbraw/zinc/81/91/59/502819159.db2.gz ICPHLTJFFBNVNG-OAQYLSRUSA-N 1 3 372.557 3.072 20 0 FGADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000504927210 502825020 /nfs/dbraw/zinc/82/50/20/502825020.db2.gz YDTZISVUIBBYDC-HXUWFJFHSA-N 1 3 372.557 3.215 20 0 FGADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025159 502915366 /nfs/dbraw/zinc/91/53/66/502915366.db2.gz YXOHGWOVJASNQB-DBXWQHBBSA-N 1 3 372.557 3.171 20 0 FGADHO COc1ccc(OC)c(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501052351 502923215 /nfs/dbraw/zinc/92/32/15/502923215.db2.gz JVAYWNAMNQKTNA-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO COc1ccc(OC)c(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501052351 502923217 /nfs/dbraw/zinc/92/32/17/502923217.db2.gz JVAYWNAMNQKTNA-UHFFFAOYSA-N 1 3 355.482 3.447 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)N2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513486731 502950341 /nfs/dbraw/zinc/95/03/41/502950341.db2.gz WZSYLDYAQGJMOX-FPOVZHCZSA-N 1 3 357.542 3.422 20 0 FGADHO C[C@H]1C[C@@H](NCCC(=O)N2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513486731 502950344 /nfs/dbraw/zinc/95/03/44/502950344.db2.gz WZSYLDYAQGJMOX-FPOVZHCZSA-N 1 3 357.542 3.422 20 0 FGADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2c(c1)oc(=O)n2C ZINC000509699625 502971106 /nfs/dbraw/zinc/97/11/06/502971106.db2.gz RIIHLAYHOQOICO-UHFFFAOYSA-N 1 3 353.466 3.263 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655143 502991202 /nfs/dbraw/zinc/99/12/02/502991202.db2.gz LKWUJWDCUDYCKY-HSALFYBXSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655143 502991208 /nfs/dbraw/zinc/99/12/08/502991208.db2.gz LKWUJWDCUDYCKY-HSALFYBXSA-N 1 3 368.525 3.455 20 0 FGADHO CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)no1 ZINC000513655143 502991212 /nfs/dbraw/zinc/99/12/12/502991212.db2.gz LKWUJWDCUDYCKY-HSALFYBXSA-N 1 3 368.525 3.455 20 0 FGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958036 503018697 /nfs/dbraw/zinc/01/86/97/503018697.db2.gz RVGREVJVFHGVAH-IBGZPJMESA-N 1 3 367.537 3.251 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555775 503037445 /nfs/dbraw/zinc/03/74/45/503037445.db2.gz XHNUDZWADIAAQN-LJQANCHMSA-N 1 3 372.557 3.204 20 0 FGADHO CC(C)Oc1ccc([C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)N(C)C)cc1 ZINC000489964962 503077505 /nfs/dbraw/zinc/07/75/05/503077505.db2.gz NIRIFQWIVZADTG-HLIPFELVSA-N 1 3 361.530 3.066 20 0 FGADHO C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084045 503083340 /nfs/dbraw/zinc/08/33/40/503083340.db2.gz OCHPITSNISMNIE-MRXNPFEDSA-N 1 3 365.477 3.117 20 0 FGADHO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514084045 503083347 /nfs/dbraw/zinc/08/33/47/503083347.db2.gz OCHPITSNISMNIE-MRXNPFEDSA-N 1 3 365.477 3.117 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000501808626 503084297 /nfs/dbraw/zinc/08/42/97/503084297.db2.gz DDNNTRXXQTUORF-AZUAARDMSA-N 1 3 360.546 3.243 20 0 FGADHO COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514100003 503087912 /nfs/dbraw/zinc/08/79/12/503087912.db2.gz SKBOSXXRPRDNAY-YPAWHYETSA-N 1 3 360.542 3.320 20 0 FGADHO COCCOCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514100002 503088287 /nfs/dbraw/zinc/08/82/87/503088287.db2.gz SKBOSXXRPRDNAY-FDFHNCONSA-N 1 3 360.542 3.320 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326656 503092868 /nfs/dbraw/zinc/09/28/68/503092868.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 1 3 372.557 3.069 20 0 FGADHO C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326656 503092872 /nfs/dbraw/zinc/09/28/72/503092872.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 1 3 372.557 3.069 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCC12CCN(C)CC2)CC(C)C ZINC000510331062 503093422 /nfs/dbraw/zinc/09/34/22/503093422.db2.gz IPLLCOUPIMMGST-SFHVURJKSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000514206297 503112303 /nfs/dbraw/zinc/11/23/03/503112303.db2.gz NPMYYGVTBIETJU-PZJWPPBQSA-N 1 3 372.557 3.243 20 0 FGADHO CCc1ccc([C@@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000514564598 503137810 /nfs/dbraw/zinc/13/78/10/503137810.db2.gz JEBFVNNWKNCLGC-OAQYLSRUSA-N 1 3 372.557 3.122 20 0 FGADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000510542728 503138970 /nfs/dbraw/zinc/13/89/70/503138970.db2.gz BOQJHFOLICKPHS-YLJYHZDGSA-N 1 3 358.530 3.019 20 0 FGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000510701759 503175743 /nfs/dbraw/zinc/17/57/43/503175743.db2.gz INZZFQDTDGDVLL-HNNXBMFYSA-N 1 3 363.452 3.411 20 0 FGADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000514764774 503187460 /nfs/dbraw/zinc/18/74/60/503187460.db2.gz GQCANDHXEMNFBS-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000514764774 503187464 /nfs/dbraw/zinc/18/74/64/503187464.db2.gz GQCANDHXEMNFBS-GOSISDBHSA-N 1 3 360.546 3.071 20 0 FGADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000510980991 503229225 /nfs/dbraw/zinc/22/92/25/503229225.db2.gz RGRTXMSXHGGRQZ-YPAWHYETSA-N 1 3 352.526 3.472 20 0 FGADHO C[C@@H]1CCCN(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633277 503242446 /nfs/dbraw/zinc/24/24/46/503242446.db2.gz XTCJWWPJNFZBRQ-LJQANCHMSA-N 1 3 364.578 3.016 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000502793398 503273579 /nfs/dbraw/zinc/27/35/79/503273579.db2.gz JNLGWSOIWAFPTL-QGZVFWFLSA-N 1 3 360.546 3.289 20 0 FGADHO C[C@@H](NC(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000502793398 503273583 /nfs/dbraw/zinc/27/35/83/503273583.db2.gz JNLGWSOIWAFPTL-QGZVFWFLSA-N 1 3 360.546 3.289 20 0 FGADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511271299 503290710 /nfs/dbraw/zinc/29/07/10/503290710.db2.gz VPJTXZUPCRDANU-IBGZPJMESA-N 1 3 372.557 3.190 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000502892899 503300990 /nfs/dbraw/zinc/30/09/90/503300990.db2.gz NOEIEFQKXPBSBX-SFHVURJKSA-N 1 3 352.567 3.205 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000502892899 503300987 /nfs/dbraw/zinc/30/09/87/503300987.db2.gz NOEIEFQKXPBSBX-SFHVURJKSA-N 1 3 352.567 3.205 20 0 FGADHO Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000507464383 503303097 /nfs/dbraw/zinc/30/30/97/503303097.db2.gz XJSUNZIUIIRRQA-PWRODBHTSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507464383 503303101 /nfs/dbraw/zinc/30/31/01/503303101.db2.gz XJSUNZIUIIRRQA-PWRODBHTSA-N 1 3 350.510 3.302 20 0 FGADHO Cc1cccc(NCCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507464383 503303105 /nfs/dbraw/zinc/30/31/05/503303105.db2.gz XJSUNZIUIIRRQA-PWRODBHTSA-N 1 3 350.510 3.302 20 0 FGADHO c1cc2c(cc1CN1CCC[C@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490779 503348821 /nfs/dbraw/zinc/34/88/21/503348821.db2.gz SEXMLOLHIGBNAE-IBGZPJMESA-N 1 3 365.525 3.030 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000511921438 503416954 /nfs/dbraw/zinc/41/69/54/503416954.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 1 3 364.578 3.157 20 0 FGADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000511921438 503416955 /nfs/dbraw/zinc/41/69/55/503416955.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 1 3 364.578 3.157 20 0 FGADHO CCn1cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000499526531 503425878 /nfs/dbraw/zinc/42/58/78/503425878.db2.gz JERLYSGZABJDCC-GOSISDBHSA-N 1 3 370.541 3.149 20 0 FGADHO CCn1cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000499526531 503425880 /nfs/dbraw/zinc/42/58/80/503425880.db2.gz JERLYSGZABJDCC-GOSISDBHSA-N 1 3 370.541 3.149 20 0 FGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000493940652 503462215 /nfs/dbraw/zinc/46/22/15/503462215.db2.gz JOWNEJGUQMQDTD-BJLQDIEVSA-N 1 3 360.546 3.097 20 0 FGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000493940652 503462216 /nfs/dbraw/zinc/46/22/16/503462216.db2.gz JOWNEJGUQMQDTD-BJLQDIEVSA-N 1 3 360.546 3.097 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccccc21 ZINC000508454029 503497021 /nfs/dbraw/zinc/49/70/21/503497021.db2.gz HIIBFSKABODIOX-LJQANCHMSA-N 1 3 353.510 3.328 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ccccc21 ZINC000508454029 503497024 /nfs/dbraw/zinc/49/70/24/503497024.db2.gz HIIBFSKABODIOX-LJQANCHMSA-N 1 3 353.510 3.328 20 0 FGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000512247389 503497426 /nfs/dbraw/zinc/49/74/26/503497426.db2.gz YPKBKVVUYOMAFX-VQIMIIECSA-N 1 3 365.477 3.132 20 0 FGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000499905213 503507821 /nfs/dbraw/zinc/50/78/21/503507821.db2.gz AOWFFDZLWSLQIT-UHFFFAOYSA-N 1 3 357.420 3.452 20 0 FGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000499905213 503507823 /nfs/dbraw/zinc/50/78/23/503507823.db2.gz AOWFFDZLWSLQIT-UHFFFAOYSA-N 1 3 357.420 3.452 20 0 FGADHO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508702657 503546999 /nfs/dbraw/zinc/54/69/99/503546999.db2.gz WEPCCNRESVAODB-XAPVIXHLSA-N 1 3 373.585 3.374 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000508718617 503550217 /nfs/dbraw/zinc/55/02/17/503550217.db2.gz OAYQZDJIDHIINS-IOMROCGXSA-N 1 3 366.505 3.499 20 0 FGADHO COc1ccc2c(c1)OC[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718617 503550222 /nfs/dbraw/zinc/55/02/22/503550222.db2.gz OAYQZDJIDHIINS-IOMROCGXSA-N 1 3 366.505 3.499 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434984 503550545 /nfs/dbraw/zinc/55/05/45/503550545.db2.gz CYUGUICEWSWAEN-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434984 503550549 /nfs/dbraw/zinc/55/05/49/503550549.db2.gz CYUGUICEWSWAEN-CEWLAPEOSA-N 1 3 372.557 3.071 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578762 503589113 /nfs/dbraw/zinc/58/91/13/503589113.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578762 503589114 /nfs/dbraw/zinc/58/91/14/503589114.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 1 3 357.542 3.278 20 0 FGADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2-c2ccnn2C)CC1 ZINC000508975749 503611297 /nfs/dbraw/zinc/61/12/97/503611297.db2.gz FWTDBQXEJPVYGE-UHFFFAOYSA-N 1 3 370.541 3.410 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117936 503674326 /nfs/dbraw/zinc/67/43/26/503674326.db2.gz GTADMUMFTPUELV-VQFGERMISA-N 1 3 361.505 3.104 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117936 503674333 /nfs/dbraw/zinc/67/43/33/503674333.db2.gz GTADMUMFTPUELV-VQFGERMISA-N 1 3 361.505 3.104 20 0 FGADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000546224879 503677555 /nfs/dbraw/zinc/67/75/55/503677555.db2.gz SFMUGXLFCSEVLO-FPOVZHCZSA-N 1 3 359.558 3.160 20 0 FGADHO Cc1ccc(NC(=O)CCNCC[C@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC000517231265 503686150 /nfs/dbraw/zinc/68/61/50/503686150.db2.gz YNIMEMZHEQMHNV-SFHVURJKSA-N 1 3 354.498 3.219 20 0 FGADHO Cc1ccc(NC(=O)CCNCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC000517231265 503686153 /nfs/dbraw/zinc/68/61/53/503686153.db2.gz YNIMEMZHEQMHNV-SFHVURJKSA-N 1 3 354.498 3.219 20 0 FGADHO c1ccc([C@@H]2CCCN2CCOCC[N@@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000533025863 503704893 /nfs/dbraw/zinc/70/48/93/503704893.db2.gz QYUIRDSHVUXGJI-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO c1ccc([C@@H]2CCCN2CCOCC[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000533025863 503704895 /nfs/dbraw/zinc/70/48/95/503704895.db2.gz QYUIRDSHVUXGJI-VXKWHMMOSA-N 1 3 366.509 3.467 20 0 FGADHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000533090560 503728132 /nfs/dbraw/zinc/72/81/32/503728132.db2.gz HOTFEUHVHHOGRF-QZTJIDSGSA-N 1 3 371.525 3.305 20 0 FGADHO Cn1c2ccc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cc2sc1=O ZINC000527238966 503734381 /nfs/dbraw/zinc/73/43/81/503734381.db2.gz WKLHCAMFVXSTLJ-GOSISDBHSA-N 1 3 367.518 3.212 20 0 FGADHO O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026495 503799609 /nfs/dbraw/zinc/79/96/09/503799609.db2.gz JEYFMXZGNAGJEG-NRFANRHFSA-N 1 3 355.526 3.419 20 0 FGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000530214922 503881258 /nfs/dbraw/zinc/88/12/58/503881258.db2.gz YXRMJUGZQBOTTQ-XWTXVHISSA-N 1 3 353.304 3.194 20 0 FGADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000527667938 503885307 /nfs/dbraw/zinc/88/53/07/503885307.db2.gz WQTBNILXIWWABJ-NRFANRHFSA-N 1 3 372.557 3.345 20 0 FGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238800 503887927 /nfs/dbraw/zinc/88/79/27/503887927.db2.gz CIBFADGTWRNOBD-KBXCAEBGSA-N 1 3 354.441 3.440 20 0 FGADHO FC(F)(F)COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530243108 503890357 /nfs/dbraw/zinc/89/03/57/503890357.db2.gz WIRXSBVUQROOKW-SFHVURJKSA-N 1 3 372.431 3.218 20 0 FGADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248462 503894362 /nfs/dbraw/zinc/89/43/62/503894362.db2.gz KWIIVAYONYPGKO-NRFANRHFSA-N 1 3 368.525 3.080 20 0 FGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000518081833 503904994 /nfs/dbraw/zinc/90/49/94/503904994.db2.gz YZKXMFCFSWYIDM-WOJBJXKFSA-N 1 3 372.557 3.167 20 0 FGADHO CN(CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccncc1 ZINC000540927290 503942406 /nfs/dbraw/zinc/94/24/06/503942406.db2.gz UTOOIOINVFAXRA-IBGZPJMESA-N 1 3 358.530 3.023 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000518402561 503974945 /nfs/dbraw/zinc/97/49/45/503974945.db2.gz HDXUKTPASHZSQY-WSTZPKSXSA-N 1 3 374.573 3.345 20 0 FGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000518402561 503974948 /nfs/dbraw/zinc/97/49/48/503974948.db2.gz HDXUKTPASHZSQY-WSTZPKSXSA-N 1 3 374.573 3.345 20 0 FGADHO C[NH+](C)CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000518428465 503981575 /nfs/dbraw/zinc/98/15/75/503981575.db2.gz SNBQSBQBPATXKG-HXUWFJFHSA-N 1 3 372.557 3.017 20 0 FGADHO CN(C)CC[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046384 503985655 /nfs/dbraw/zinc/98/56/55/503985655.db2.gz VDECMTZAMUEDKW-CVEARBPZSA-N 1 3 373.463 3.058 20 0 FGADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144820 504026982 /nfs/dbraw/zinc/02/69/82/504026982.db2.gz ABVHLQFGULJBJM-MRXNPFEDSA-N 1 3 374.447 3.250 20 0 FGADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144820 504026985 /nfs/dbraw/zinc/02/69/85/504026985.db2.gz ABVHLQFGULJBJM-MRXNPFEDSA-N 1 3 374.447 3.250 20 0 FGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc2cccnc21 ZINC000534216680 504074182 /nfs/dbraw/zinc/07/41/82/504074182.db2.gz ATKSKQLMSMLWHS-UHFFFAOYSA-N 1 3 360.933 3.346 20 0 FGADHO C[C@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000518985193 504111271 /nfs/dbraw/zinc/11/12/71/504111271.db2.gz QNCKBHWHNVROOZ-XHRGMSINSA-N 1 3 369.553 3.278 20 0 FGADHO CN(CCN(C)C1CC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000547453848 504111659 /nfs/dbraw/zinc/11/16/59/504111659.db2.gz JLBIGTIGXPEDCM-UHFFFAOYSA-N 1 3 374.529 3.109 20 0 FGADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000531118835 504195757 /nfs/dbraw/zinc/19/57/57/504195757.db2.gz COHCLOYXGMNYRF-IRXDYDNUSA-N 1 3 372.340 3.049 20 0 FGADHO CCC[C@@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000538306292 504199185 /nfs/dbraw/zinc/19/91/85/504199185.db2.gz NUBHBOUPTLTQSO-LJQANCHMSA-N 1 3 359.558 3.383 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356822 504201022 /nfs/dbraw/zinc/20/10/22/504201022.db2.gz XEBSXIABUMKZFM-GIVPXCGWSA-N 1 3 370.541 3.092 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000531190524 504220514 /nfs/dbraw/zinc/22/05/14/504220514.db2.gz HRGTTYNILNNVEE-KRWDZBQOSA-N 1 3 373.545 3.051 20 0 FGADHO Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000531190524 504220524 /nfs/dbraw/zinc/22/05/24/504220524.db2.gz HRGTTYNILNNVEE-KRWDZBQOSA-N 1 3 373.545 3.051 20 0 FGADHO CN(CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000541858072 504279337 /nfs/dbraw/zinc/27/93/37/504279337.db2.gz FIQYLUZMTLCNIP-UHFFFAOYSA-N 1 3 352.482 3.185 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)CC1 ZINC000519772376 504333454 /nfs/dbraw/zinc/33/34/54/504333454.db2.gz FKAFCJBJLGLSNH-UHFFFAOYSA-N 1 3 355.526 3.310 20 0 FGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923064 504383927 /nfs/dbraw/zinc/38/39/27/504383927.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519923064 504383928 /nfs/dbraw/zinc/38/39/28/504383928.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 1 3 352.567 3.013 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000542185194 504396493 /nfs/dbraw/zinc/39/64/93/504396493.db2.gz IQFXQFVTRBOXCU-KTDPBYDISA-N 1 3 369.553 3.230 20 0 FGADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000542185194 504396496 /nfs/dbraw/zinc/39/64/96/504396496.db2.gz IQFXQFVTRBOXCU-KTDPBYDISA-N 1 3 369.553 3.230 20 0 FGADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069021 504406555 /nfs/dbraw/zinc/40/65/55/504406555.db2.gz ZSOCVOAZBFXRFY-PZJWPPBQSA-N 1 3 372.557 3.072 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804756 504430747 /nfs/dbraw/zinc/43/07/47/504430747.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CN1Cc1ccccc1 ZINC000531804756 504430753 /nfs/dbraw/zinc/43/07/53/504430753.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 1 3 372.557 3.165 20 0 FGADHO CN1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1c1ccccc1 ZINC000535426967 504433207 /nfs/dbraw/zinc/43/32/07/504433207.db2.gz HMRLSSATMACOPL-QYZOEREBSA-N 1 3 360.546 3.097 20 0 FGADHO CN(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441768 /nfs/dbraw/zinc/44/17/68/504441768.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO CN(CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441771 /nfs/dbraw/zinc/44/17/71/504441771.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 1 3 365.521 3.147 20 0 FGADHO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483285 504461548 /nfs/dbraw/zinc/46/15/48/504461548.db2.gz WAGWAPPDUDMGKI-DENIHFKCSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@@H](NCCC(=O)NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483285 504461554 /nfs/dbraw/zinc/46/15/54/504461554.db2.gz WAGWAPPDUDMGKI-DENIHFKCSA-N 1 3 365.521 3.193 20 0 FGADHO C[C@@H](NCCC(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483285 504461561 /nfs/dbraw/zinc/46/15/61/504461561.db2.gz WAGWAPPDUDMGKI-DENIHFKCSA-N 1 3 365.521 3.193 20 0 FGADHO CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H](N)c1ccccc1 ZINC000520771098 504578671 /nfs/dbraw/zinc/57/86/71/504578671.db2.gz PWKGVQTZVLOBLB-INIZCTEOSA-N 1 3 358.511 3.275 20 0 FGADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710980 504584078 /nfs/dbraw/zinc/58/40/78/504584078.db2.gz RUQGHUHNWAAKJY-WAOWUJCRSA-N 1 3 372.557 3.194 20 0 FGADHO CC(C)C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)NCC[NH+](C)C ZINC000539647074 504638324 /nfs/dbraw/zinc/63/83/24/504638324.db2.gz SKOOXCWOCJGWQW-GUYCJALGSA-N 1 3 357.901 3.222 20 0 FGADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)N1CCC[C@H](C)C1 ZINC000521167214 504667089 /nfs/dbraw/zinc/66/70/89/504667089.db2.gz HCOICWPOUIJIML-OALUTQOASA-N 1 3 352.567 3.062 20 0 FGADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000521231657 504688635 /nfs/dbraw/zinc/68/86/35/504688635.db2.gz ZLILGKBQUGCTIH-UHFFFAOYSA-N 1 3 365.521 3.421 20 0 FGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246858 504692059 /nfs/dbraw/zinc/69/20/59/504692059.db2.gz YBRWTLGOQIRNMG-CEXWTWQISA-N 1 3 357.542 3.379 20 0 FGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000521246858 504692063 /nfs/dbraw/zinc/69/20/63/504692063.db2.gz YBRWTLGOQIRNMG-CEXWTWQISA-N 1 3 357.542 3.379 20 0 FGADHO C[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539822806 504703949 /nfs/dbraw/zinc/70/39/49/504703949.db2.gz MWQYSVMZBDQOFT-WMZHIEFXSA-N 1 3 364.537 3.206 20 0 FGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533525 504717714 /nfs/dbraw/zinc/71/77/14/504717714.db2.gz QYQLCBIWVIFFNN-MRXNPFEDSA-N 1 3 351.485 3.348 20 0 FGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-c3ccncc3)cc2F)CC1 ZINC000532785538 504758324 /nfs/dbraw/zinc/75/83/24/504758324.db2.gz MFRHHKHYWJWJER-UHFFFAOYSA-N 1 3 357.473 3.213 20 0 FGADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000565037416 504777707 /nfs/dbraw/zinc/77/77/07/504777707.db2.gz RMZXPQKPGYPKAH-TYPHKJRUSA-N 1 3 370.541 3.067 20 0 FGADHO Cc1cc(C)n(-c2ccc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2)n1 ZINC000565044273 504779740 /nfs/dbraw/zinc/77/97/40/504779740.db2.gz QZROLYSUTHAGRG-FGZHOGPDSA-N 1 3 368.525 3.207 20 0 FGADHO CCc1nocc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000559272608 504816698 /nfs/dbraw/zinc/81/66/98/504816698.db2.gz CHVLOVXSOQKNAJ-UHFFFAOYSA-N 1 3 357.498 3.398 20 0 FGADHO CNC[C@](C)(O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000565428666 504885151 /nfs/dbraw/zinc/88/51/51/504885151.db2.gz VFRVVIKMELNCLC-KRWDZBQOSA-N 1 3 361.313 3.055 20 0 FGADHO CN(c1ccccc1C[NH2+]C[C@@]1(O)CCCC1(C)C)C1CCN(C)CC1 ZINC000549858523 504918302 /nfs/dbraw/zinc/91/83/02/504918302.db2.gz YXVATJAKKFRGMT-QFIPXVFZSA-N 1 3 359.558 3.248 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000553492680 504931002 /nfs/dbraw/zinc/93/10/02/504931002.db2.gz GXPZZGKDLYSTGU-XMSQKQJNSA-N 1 3 369.553 3.402 20 0 FGADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000562772910 504940598 /nfs/dbraw/zinc/94/05/98/504940598.db2.gz FLHZDEPHAIEGPG-FQEVSTJZSA-N 1 3 356.514 3.456 20 0 FGADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)CNC2 ZINC000562772910 504940604 /nfs/dbraw/zinc/94/06/04/504940604.db2.gz FLHZDEPHAIEGPG-FQEVSTJZSA-N 1 3 356.514 3.456 20 0 FGADHO COc1cc([C@H](C)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000559920353 504951537 /nfs/dbraw/zinc/95/15/37/504951537.db2.gz VXEABLLOARJCNP-INIZCTEOSA-N 1 3 355.482 3.414 20 0 FGADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccsc1 ZINC000565668822 504954764 /nfs/dbraw/zinc/95/47/64/504954764.db2.gz DGQRMEMJUACTCM-SFHVURJKSA-N 1 3 366.575 3.162 20 0 FGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026253 /nfs/dbraw/zinc/02/62/53/505026253.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 1 3 350.450 3.124 20 0 FGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026256 /nfs/dbraw/zinc/02/62/56/505026256.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 1 3 350.450 3.124 20 0 FGADHO C[C@H](NC(C)(C)CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000565940743 505033733 /nfs/dbraw/zinc/03/37/33/505033733.db2.gz QYOHFKWQQSZFRE-FXAWDEMLSA-N 1 3 372.557 3.147 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)cc(F)c3F)CC2)CC1 ZINC000565962279 505039952 /nfs/dbraw/zinc/03/99/52/505039952.db2.gz YZYJXXVAAWMISA-UHFFFAOYSA-N 1 3 369.431 3.239 20 0 FGADHO C[C@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000566062413 505069555 /nfs/dbraw/zinc/06/95/55/505069555.db2.gz FUUIJLVCENXJLX-QWRGUYRKSA-N 1 3 350.816 3.143 20 0 FGADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCCO1 ZINC000563300010 505101023 /nfs/dbraw/zinc/10/10/23/505101023.db2.gz ABLMWMQYJISVSS-SESVDKBCSA-N 1 3 358.526 3.072 20 0 FGADHO CN(C)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(Cl)cc1 ZINC000566197503 505110598 /nfs/dbraw/zinc/11/05/98/505110598.db2.gz GVRVAOHNYPTRNL-DRGBWMFJSA-N 1 3 363.933 3.213 20 0 FGADHO C[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000560548094 505122473 /nfs/dbraw/zinc/12/24/73/505122473.db2.gz KTTQGUKYYBRDBR-IXDOHACOSA-N 1 3 352.320 3.323 20 0 FGADHO C[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000560548094 505122477 /nfs/dbraw/zinc/12/24/77/505122477.db2.gz KTTQGUKYYBRDBR-IXDOHACOSA-N 1 3 352.320 3.323 20 0 FGADHO O=C(CC[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000566250021 505123818 /nfs/dbraw/zinc/12/38/18/505123818.db2.gz AKOMXTRDGICXLP-QGZVFWFLSA-N 1 3 363.933 3.154 20 0 FGADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087646 505154899 /nfs/dbraw/zinc/15/48/99/505154899.db2.gz VNXVQLPEMFGLPP-GSPCLOLRSA-N 1 3 371.569 3.179 20 0 FGADHO COc1ccc2nc(CNCC3(SC)CC[NH+](C)CC3)sc2c1 ZINC000557531516 505158431 /nfs/dbraw/zinc/15/84/31/505158431.db2.gz ZIYKVOJXJROFIZ-UHFFFAOYSA-N 1 3 351.541 3.222 20 0 FGADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000554449091 505176831 /nfs/dbraw/zinc/17/68/31/505176831.db2.gz ACVHVCJDHDQKOK-FQEVSTJZSA-N 1 3 360.546 3.197 20 0 FGADHO CN(C)Cc1ccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000566562394 505206692 /nfs/dbraw/zinc/20/66/92/505206692.db2.gz LFEDDKDOMHJWPR-UHFFFAOYSA-N 1 3 365.521 3.220 20 0 FGADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554622077 505225462 /nfs/dbraw/zinc/22/54/62/505225462.db2.gz MGMBBUPFTKVYHJ-UYAOXDASSA-N 1 3 360.546 3.023 20 0 FGADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000561109514 505253165 /nfs/dbraw/zinc/25/31/65/505253165.db2.gz XJIVQOLRWPLVAJ-UHFFFAOYSA-N 1 3 369.553 3.374 20 0 FGADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000563861573 505260157 /nfs/dbraw/zinc/26/01/57/505260157.db2.gz MAMCJOMVBFYZQI-NRFANRHFSA-N 1 3 372.557 3.163 20 0 FGADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)[C@H]1c1cccs1 ZINC000563955555 505287667 /nfs/dbraw/zinc/28/76/67/505287667.db2.gz KURLHIJFSBSCJB-POAQFYNOSA-N 1 3 369.534 3.134 20 0 FGADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNCc3ccccc32)[C@H]1c1cccs1 ZINC000563955555 505287673 /nfs/dbraw/zinc/28/76/73/505287673.db2.gz KURLHIJFSBSCJB-POAQFYNOSA-N 1 3 369.534 3.134 20 0 FGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279261 505302952 /nfs/dbraw/zinc/30/29/52/505302952.db2.gz NANSNWHYMWPCKG-RTBURBONSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279261 505302955 /nfs/dbraw/zinc/30/29/55/505302955.db2.gz NANSNWHYMWPCKG-RTBURBONSA-N 1 3 368.525 3.150 20 0 FGADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279261 505302958 /nfs/dbraw/zinc/30/29/58/505302958.db2.gz NANSNWHYMWPCKG-RTBURBONSA-N 1 3 368.525 3.150 20 0 FGADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558083685 505303799 /nfs/dbraw/zinc/30/37/99/505303799.db2.gz KPLIMWOHNJJDLS-HDICACEKSA-N 1 3 368.562 3.177 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC(F)F)c1 ZINC000564319317 505383031 /nfs/dbraw/zinc/38/30/31/505383031.db2.gz HTZFSPLVOSSPPK-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC(F)F)c1 ZINC000564319317 505383035 /nfs/dbraw/zinc/38/30/35/505383035.db2.gz HTZFSPLVOSSPPK-QGZVFWFLSA-N 1 3 355.473 3.136 20 0 FGADHO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000567241579 505404842 /nfs/dbraw/zinc/40/48/42/505404842.db2.gz ZVRIFMWTZYYGCR-KRWDZBQOSA-N 1 3 369.509 3.088 20 0 FGADHO FC(F)(F)c1ccc(OCCCNC2CC[NH+](CC3CC3)CC2)nc1 ZINC000558719381 505473845 /nfs/dbraw/zinc/47/38/45/505473845.db2.gz RMDMQTUZTVHZPM-UHFFFAOYSA-N 1 3 357.420 3.333 20 0 FGADHO CN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564716860 505501450 /nfs/dbraw/zinc/50/14/50/505501450.db2.gz LUBLHGWVCXEKRU-JKWVGCSGSA-N 1 3 366.509 3.106 20 0 FGADHO CN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564716860 505501455 /nfs/dbraw/zinc/50/14/55/505501455.db2.gz LUBLHGWVCXEKRU-JKWVGCSGSA-N 1 3 366.509 3.106 20 0 FGADHO CC1CCN(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000552517505 505506919 /nfs/dbraw/zinc/50/69/19/505506919.db2.gz JCGHVCCUKDZQRY-UHFFFAOYSA-N 1 3 369.553 3.233 20 0 FGADHO COc1cc(F)c([C@@H](C)NCC2(SC)CC[NH+](C)CC2)cc1OC ZINC000562099735 505519061 /nfs/dbraw/zinc/51/90/61/505519061.db2.gz IZSVBIAQLVTLEQ-CYBMUJFWSA-N 1 3 356.507 3.321 20 0 FGADHO CC(C)(C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000567700762 505541068 /nfs/dbraw/zinc/54/10/68/505541068.db2.gz QPQHOAGNDFRIGH-INIZCTEOSA-N 1 3 358.448 3.320 20 0 FGADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220931 505543193 /nfs/dbraw/zinc/54/31/93/505543193.db2.gz IPRJZRJMRKWZGM-IRXDYDNUSA-N 1 3 364.534 3.273 20 0 FGADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccco1 ZINC000562220929 505543279 /nfs/dbraw/zinc/54/32/79/505543279.db2.gz IPRJZRJMRKWZGM-DLBZAZTESA-N 1 3 364.534 3.273 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549301 /nfs/dbraw/zinc/54/93/01/505549301.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549305 /nfs/dbraw/zinc/54/93/05/505549305.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549703 /nfs/dbraw/zinc/54/97/03/505549703.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 1 3 357.542 3.150 20 0 FGADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549705 /nfs/dbraw/zinc/54/97/05/505549705.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 1 3 357.542 3.150 20 0 FGADHO Oc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000582860930 506459802 /nfs/dbraw/zinc/45/98/02/506459802.db2.gz NCSATCJNKBHPBR-UNMCSNQZSA-N 1 3 352.478 3.126 20 0 FGADHO Oc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000582860930 506459805 /nfs/dbraw/zinc/45/98/05/506459805.db2.gz NCSATCJNKBHPBR-UNMCSNQZSA-N 1 3 352.478 3.126 20 0 FGADHO CSc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000582927175 506493183 /nfs/dbraw/zinc/49/31/83/506493183.db2.gz USVWIDYZCRPJPS-IBGZPJMESA-N 1 3 363.571 3.248 20 0 FGADHO C[C@H]1CCN(CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000608613740 506632812 /nfs/dbraw/zinc/63/28/12/506632812.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 1 3 373.541 3.011 20 0 FGADHO C[C@H]1CCN(CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000608613740 506632814 /nfs/dbraw/zinc/63/28/14/506632814.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 1 3 373.541 3.011 20 0 FGADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618410 506634257 /nfs/dbraw/zinc/63/42/57/506634257.db2.gz YKIJSDKCIJOKRW-FQEVSTJZSA-N 1 3 372.557 3.167 20 0 FGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179910 506739497 /nfs/dbraw/zinc/73/94/97/506739497.db2.gz WNRQPIUSSRDSGZ-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604179910 506739500 /nfs/dbraw/zinc/73/95/00/506739500.db2.gz WNRQPIUSSRDSGZ-FPOVZHCZSA-N 1 3 372.557 3.245 20 0 FGADHO Cc1ccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000583559033 506849063 /nfs/dbraw/zinc/84/90/63/506849063.db2.gz NHGKSPMAYFMSTO-SCWSEQNSSA-N 1 3 372.534 3.205 20 0 FGADHO CC(C)[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCC1 ZINC000591136774 507129372 /nfs/dbraw/zinc/12/93/72/507129372.db2.gz ZKUUFZZPCXKOSF-VAMGGRTRSA-N 1 3 351.579 3.371 20 0 FGADHO Cc1cnc(CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000584169967 507192338 /nfs/dbraw/zinc/19/23/38/507192338.db2.gz SRRBRWBLMOUQQJ-PMACEKPBSA-N 1 3 359.558 3.452 20 0 FGADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660075 507203578 /nfs/dbraw/zinc/20/35/78/507203578.db2.gz HGPDOLNEHNRDDH-MISYRCLQSA-N 1 3 373.541 3.152 20 0 FGADHO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(OCCN(C)C)c1 ZINC000584248281 507235172 /nfs/dbraw/zinc/23/51/72/507235172.db2.gz JLAHXQPSYQONKD-JXFKEZNVSA-N 1 3 360.473 3.020 20 0 FGADHO CCN(CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256335 /nfs/dbraw/zinc/25/63/35/507256335.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 1 3 373.541 3.154 20 0 FGADHO CCN(CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256341 /nfs/dbraw/zinc/25/63/41/507256341.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 1 3 373.541 3.154 20 0 FGADHO CSC1(C[NH2+]Cc2cncc(Br)c2C)CCN(C)CC1 ZINC000594943476 507324226 /nfs/dbraw/zinc/32/42/26/507324226.db2.gz JIZHTQLWXOFYHN-UHFFFAOYSA-N 1 3 358.349 3.070 20 0 FGADHO CSC1(CNCc2cncc(Br)c2C)CC[NH+](C)CC1 ZINC000594943476 507324221 /nfs/dbraw/zinc/32/42/21/507324221.db2.gz JIZHTQLWXOFYHN-UHFFFAOYSA-N 1 3 358.349 3.070 20 0 FGADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1C ZINC000595069613 507377489 /nfs/dbraw/zinc/37/74/89/507377489.db2.gz ZWGPAXUPHWHVKV-DZFGPLHGSA-N 1 3 373.541 3.251 20 0 FGADHO Cc1ccccc1C[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)C1CC1 ZINC000584684137 507448536 /nfs/dbraw/zinc/44/85/36/507448536.db2.gz UXFNSXGKFPKRNK-OAQYLSRUSA-N 1 3 353.510 3.441 20 0 FGADHO C[C@H](OC[C@H](O)CNC1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000584834549 507531781 /nfs/dbraw/zinc/53/17/81/507531781.db2.gz BHTZWARHGWTWLO-MGPUTAFESA-N 1 3 366.933 3.385 20 0 FGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865920 507547209 /nfs/dbraw/zinc/54/72/09/507547209.db2.gz LJAHUADIJKPDSH-HXUWFJFHSA-N 1 3 373.520 3.064 20 0 FGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865920 507547212 /nfs/dbraw/zinc/54/72/12/507547212.db2.gz LJAHUADIJKPDSH-HXUWFJFHSA-N 1 3 373.520 3.064 20 0 FGADHO CN1CCC([NH+]2CCC(NCc3cscc3C(F)(F)F)CC2)CC1 ZINC000584868305 507547695 /nfs/dbraw/zinc/54/76/95/507547695.db2.gz YFAVWYBDHYLJAA-UHFFFAOYSA-N 1 3 361.477 3.415 20 0 FGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057459 507599103 /nfs/dbraw/zinc/59/91/03/507599103.db2.gz RHVDUMVTAFNIFF-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057459 507599107 /nfs/dbraw/zinc/59/91/07/507599107.db2.gz RHVDUMVTAFNIFF-HNNXBMFYSA-N 1 3 370.900 3.359 20 0 FGADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433647 507655965 /nfs/dbraw/zinc/65/59/65/507655965.db2.gz MZGAJXBIWFOHDG-HZPDHXFCSA-N 1 3 350.890 3.338 20 0 FGADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)N(C)C ZINC000592450456 507660294 /nfs/dbraw/zinc/66/02/94/507660294.db2.gz BESQEIGCXPDRGI-DBXWQHBBSA-N 1 3 359.558 3.367 20 0 FGADHO c1ccc2nc(NCCN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000521225892 517657968 /nfs/dbraw/zinc/65/79/68/517657968.db2.gz HMEMNGQTCXHWIK-NZQKXSOJSA-N 1 3 374.488 3.492 20 0 FGADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000623073311 568259362 /nfs/dbraw/zinc/25/93/62/568259362.db2.gz VZJZYQQLIWNXRJ-WOJBJXKFSA-N 1 3 370.472 3.155 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820703023 606914819 /nfs/dbraw/zinc/91/48/19/606914819.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820703023 606914822 /nfs/dbraw/zinc/91/48/22/606914822.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820703023 606914823 /nfs/dbraw/zinc/91/48/23/606914823.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820703023 606914826 /nfs/dbraw/zinc/91/48/26/606914826.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 1 3 368.529 3.343 20 0 FGADHO Fc1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000826370839 608414138 /nfs/dbraw/zinc/41/41/38/608414138.db2.gz JHRLOMUYIGRLRW-UHFFFAOYSA-N 1 3 372.492 3.094 20 0 FGADHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945771 608501675 /nfs/dbraw/zinc/50/16/75/608501675.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC000824945771 608501676 /nfs/dbraw/zinc/50/16/76/608501676.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945771 608501677 /nfs/dbraw/zinc/50/16/77/608501677.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824945771 608501678 /nfs/dbraw/zinc/50/16/78/608501678.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 1 3 368.529 3.346 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948693 609133338 /nfs/dbraw/zinc/13/33/38/609133338.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824948693 609133339 /nfs/dbraw/zinc/13/33/39/609133339.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948693 609133341 /nfs/dbraw/zinc/13/33/41/609133341.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824948693 609133343 /nfs/dbraw/zinc/13/33/43/609133343.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 1 3 360.481 3.169 20 0 FGADHO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824877610 609133710 /nfs/dbraw/zinc/13/37/10/609133710.db2.gz ZEZIVGXMRNRQBM-OAGGEKHMSA-N 1 3 374.508 3.415 20 0 FGADHO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824877610 609133711 /nfs/dbraw/zinc/13/37/11/609133711.db2.gz ZEZIVGXMRNRQBM-OAGGEKHMSA-N 1 3 374.508 3.415 20 0 FGADHO